#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nfq n GLY 3 N 0.00 0.55 0.21 0.46 0.00 -1.19 -4.94 105.19 100.28 1nfq n GLY 3 Ca 0.00 -0.37 0.14 0.00 0.00 0.00 0.00 46.02 45.79 1nfq n GLY 3 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nfq h ARG 4 N 0.92 0.00 -0.10 1.61 3.08 -1.84 -3.17 114.38 114.88 1nfq h ARG 4 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1nfq h ARG 4 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1nfq h ARG 4 CO 0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 1nfq n LEU 5 N -2.84 2.00 -4.54 3.04 4.77 0.38 -4.71 117.00 115.09 1nfq n LEU 5 Ca 0.03 -1.57 -0.55 0.00 -0.03 0.00 0.00 56.01 53.88 1nfq n LEU 5 Cb 0.40 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.36 1nfq n LEU 5 CO 0.29 0.48 0.72 0.41 -1.33 0.00 0.00 177.39 177.97 1nfq n THR 6 N 0.11 0.03 -0.41 -5.08 -1.04 -1.10 -0.50 114.28 106.28 1nfq n THR 6 Ca 0.04 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1nfq n THR 6 Cb 0.25 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.36 1nfq n THR 6 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nfq n GLY 7 N 1.99 1.20 3.87 3.41 0.00 -1.24 -4.98 105.19 109.44 1nfq n GLY 7 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 1nfq n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nfq s LYS 8 N -0.37 3.58 -0.13 1.61 -0.14 0.34 -5.01 119.74 119.61 1nfq s LYS 8 Ca 0.00 0.00 -0.00 0.00 -1.36 0.00 0.00 55.97 54.61 1nfq s LYS 8 Cb 0.00 -3.17 -0.01 0.00 -1.68 0.00 0.00 37.83 32.96 1nfq s LYS 8 CO 0.00 0.73 -0.13 0.08 -0.76 0.00 0.00 175.35 175.27 1nfq s VAL 9 N -1.10 2.98 0.09 3.17 1.01 -1.26 -1.34 120.40 123.96 1nfq s VAL 9 Ca 0.20 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.58 1nfq s VAL 9 Cb -0.13 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1nfq s VAL 9 CO 0.09 0.52 -0.21 0.00 0.00 0.00 0.00 175.10 175.50 1nfq s ALA 10 N 0.42 1.83 -0.17 5.51 0.00 0.46 -0.94 121.76 128.88 1nfq s ALA 10 Ca -0.10 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 50.64 1nfq s ALA 10 Cb -0.16 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.70 1nfq s ALA 10 CO 0.05 0.38 -0.18 -1.17 0.00 0.00 0.00 175.76 174.84 1nfq s LEU 11 N -1.78 2.26 -0.16 0.00 2.96 0.60 -0.21 118.68 122.35 1nfq s LEU 11 Ca 0.07 -0.58 0.02 0.00 -0.22 0.00 0.00 54.13 53.41 1nfq s LEU 11 Cb -0.10 -1.51 0.02 0.00 0.50 0.00 0.00 46.19 45.10 1nfq s LEU 11 CO 0.04 0.03 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.21 1nfq s VAL 12 N 1.10 2.03 0.19 1.68 1.01 -0.34 -0.80 120.40 125.28 1nfq s VAL 12 Ca 0.00 -0.94 -0.15 0.00 0.00 0.00 0.00 61.98 60.89 1nfq s VAL 12 Cb -0.14 -1.82 -0.07 0.00 0.00 0.00 0.00 36.38 34.34 1nfq s VAL 12 CO -0.07 0.54 0.61 -0.94 0.00 0.00 0.00 175.10 175.24 1nfq s SER 13 N 1.09 6.85 -1.18 3.32 1.04 -0.97 -1.24 113.70 122.61 1nfq s SER 13 Ca -0.00 1.16 -0.07 0.00 0.48 0.00 0.00 55.95 57.51 1nfq s SER 13 Cb -0.14 -2.32 0.01 0.00 0.10 0.00 0.00 66.02 63.67 1nfq s SER 13 CO -0.08 0.03 0.96 0.61 0.98 0.00 0.00 173.24 175.74 1nfq n GLY 14 N 0.53 -0.33 1.04 7.32 0.00 0.72 -2.40 105.19 112.07 1nfq n GLY 14 Ca -0.03 0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.18 1nfq n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nfq n GLY 15 N -1.76 1.60 0.21 -0.02 0.00 -0.87 -4.09 105.19 100.27 1nfq n GLY 15 Ca -0.00 -0.58 0.10 0.00 0.00 0.00 0.00 46.02 45.54 1nfq n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nfq h ALA 16 N 3.90 0.92 -3.09 4.61 0.00 -1.88 -3.10 119.26 120.62 1nfq h ALA 16 Ca 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1nfq h ALA 16 Cb 0.81 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1nfq h ALA 16 CO 0.04 0.22 0.23 2.89 0.00 0.00 0.00 179.25 182.63 1nfq n ARG 17 N -3.19 1.08 0.00 0.00 1.85 -1.26 -4.65 116.66 110.49 1nfq n ARG 17 Ca 0.02 -2.27 0.00 0.00 -1.00 0.00 0.00 57.85 54.60 1nfq n ARG 17 Cb 0.53 2.75 0.00 0.00 -1.05 0.00 0.00 32.46 34.68 1nfq n ARG 17 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nfq n GLY 18 N -0.53 2.04 0.32 2.89 0.00 -1.26 -2.37 105.19 106.28 1nfq n GLY 18 Ca -0.08 -0.46 0.01 0.00 0.00 0.00 0.00 46.02 45.49 1nfq n GLY 18 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1nfq h MET 19 N 0.00 0.79 -0.43 1.61 2.86 -1.92 -2.51 114.93 115.33 1nfq h MET 19 Ca 0.00 -0.07 0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1nfq h MET 19 Cb 0.00 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.46 1nfq h MET 19 CO 0.00 0.57 0.21 0.78 1.06 0.00 0.00 176.91 179.53 1nfq h GLY 20 N 0.86 0.59 1.00 8.32 0.00 -1.67 0.15 103.07 112.31 1nfq h GLY 20 Ca 0.21 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 1nfq h GLY 20 CO -0.04 0.09 0.33 0.00 0.00 0.00 0.00 176.54 176.93 1nfq h ALA 21 N 1.24 0.80 -0.88 3.60 0.00 -1.09 -1.81 119.26 121.12 1nfq h ALA 21 Ca 0.19 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1nfq h ALA 21 Cb 0.11 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1nfq h ALA 21 CO -0.14 0.33 0.54 1.03 0.00 0.00 0.00 179.25 181.02 1nfq h SER 22 N 0.85 1.04 -0.56 0.00 0.87 -0.93 -1.83 113.55 112.99 1nfq h SER 22 Ca 0.22 -0.05 -0.07 0.00 -1.23 0.00 0.00 61.79 60.66 1nfq h SER 22 Cb 0.06 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 1nfq h SER 22 CO -0.03 0.79 0.07 0.45 -0.53 0.00 0.00 176.83 177.58 1nfq h HIS 23 N 1.21 1.01 -0.00 2.24 3.86 -0.15 -0.76 115.15 122.55 1nfq h HIS 23 Ca 0.32 -0.15 0.01 0.00 -1.16 0.00 0.00 60.37 59.39 1nfq h HIS 23 Cb -0.07 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.12 1nfq h HIS 23 CO 0.00 0.89 -0.03 0.28 0.86 0.00 0.00 177.93 179.93 1nfq h VAL 24 N 0.83 0.91 -0.53 2.45 2.07 -0.86 -0.58 116.25 120.56 1nfq h VAL 24 Ca 0.17 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1nfq h VAL 24 Cb 0.44 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1nfq h VAL 24 CO 0.01 0.00 0.29 0.03 0.02 0.00 0.00 177.57 177.92 1nfq h ARG 25 N -0.06 0.74 -0.76 1.57 3.08 -1.23 -1.78 114.38 115.94 1nfq h ARG 25 Ca 0.02 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1nfq h ARG 25 Cb 0.08 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 1nfq h ARG 25 CO -0.04 0.58 0.31 0.00 -1.07 0.00 0.00 179.97 179.75 1nfq h ALA 26 N 1.12 0.98 -0.10 0.04 0.00 -0.92 -1.64 119.26 118.75 1nfq h ALA 26 Ca 0.19 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1nfq h ALA 26 Cb 0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1nfq h ALA 26 CO -0.03 0.60 -0.62 0.52 0.00 0.00 0.00 179.25 179.72 1nfq h MET 27 N 1.09 0.35 -0.43 0.00 2.86 -0.93 -2.86 114.93 115.01 1nfq h MET 27 Ca 0.25 -0.24 -0.08 0.00 -2.06 0.00 0.00 59.70 57.57 1nfq h MET 27 Cb 0.20 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1nfq h MET 27 CO -0.02 0.86 -0.06 0.28 1.06 0.00 0.00 176.91 179.03 1nfq h VAL 28 N 0.26 1.27 0.00 -2.22 2.07 -1.15 -1.46 116.25 115.02 1nfq h VAL 28 Ca -0.01 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 1nfq h VAL 28 Cb 1.15 1.13 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1nfq h VAL 28 CO 0.10 0.38 -0.00 0.00 0.02 0.00 0.00 177.57 178.08 1nfq h ALA 29 N 0.88 1.04 -0.68 1.67 0.00 -1.19 -0.20 119.26 120.78 1nfq h ALA 29 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1nfq h ALA 29 Cb 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1nfq h ALA 29 CO 0.03 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.68 1nfq n GLU 30 N -3.14 3.24 -0.40 0.00 -0.58 -0.87 -4.42 120.64 114.46 1nfq n GLU 30 Ca -0.03 -2.72 0.00 0.00 -0.42 0.00 0.00 57.16 53.99 1nfq n GLU 30 Cb 0.10 -1.75 0.00 0.00 -0.57 0.00 0.00 31.44 29.22 1nfq n GLU 30 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nfq n GLY 31 N 1.37 0.80 3.92 0.62 0.00 -0.09 -0.47 105.19 111.34 1nfq n GLY 31 Ca 0.25 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 1nfq n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nfq s ALA 32 N -2.00 3.67 -0.21 4.61 0.00 -0.60 -3.71 121.76 123.52 1nfq s ALA 32 Ca 0.00 -0.70 -0.10 0.00 0.00 0.00 0.00 51.96 51.16 1nfq s ALA 32 Cb 0.00 -2.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.86 1nfq s ALA 32 CO 0.00 0.16 0.13 0.15 0.00 0.00 0.00 175.76 176.21 1nfq s LYS 33 N -3.80 4.16 -0.07 0.00 -0.14 -0.45 -4.28 119.74 115.15 1nfq s LYS 33 Ca 0.42 -0.23 0.04 0.00 -1.36 0.00 0.00 55.97 54.84 1nfq s LYS 33 Cb -0.10 -3.43 0.00 0.00 -1.68 0.00 0.00 37.83 32.62 1nfq s LYS 33 CO 0.32 0.26 -0.20 0.08 -0.76 0.00 0.00 175.35 175.05 1nfq s VAL 34 N 0.48 1.70 -0.24 3.17 1.01 -0.84 -0.41 120.40 125.27 1nfq s VAL 34 Ca 0.08 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 1nfq s VAL 34 Cb -0.11 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 1nfq s VAL 34 CO -0.01 0.48 0.02 -0.69 0.00 0.00 0.00 175.10 174.90 1nfq s VAL 35 N 0.26 3.81 -0.02 2.92 1.01 0.70 -1.03 120.40 128.06 1nfq s VAL 35 Ca -0.12 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.54 1nfq s VAL 35 Cb -0.15 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 1nfq s VAL 35 CO 0.05 0.34 -0.23 0.72 0.00 0.00 0.00 175.10 175.99 1nfq s PHE 36 N 1.53 2.09 0.24 5.22 -0.12 -0.40 -1.19 117.98 125.34 1nfq s PHE 36 Ca 0.06 -0.41 0.10 0.00 -0.05 0.00 0.00 56.93 56.63 1nfq s PHE 36 Cb -0.15 -1.35 -0.05 0.00 -0.63 0.00 0.00 43.02 40.85 1nfq s PHE 36 CO 0.00 -0.05 -0.18 0.20 -0.05 0.00 0.00 175.22 175.14 1nfq s GLY 37 N -0.51 1.69 0.02 1.99 0.00 -0.38 -1.90 107.32 108.23 1nfq s GLY 37 Ca 0.08 -1.76 -0.03 0.00 0.00 0.00 0.00 44.72 43.01 1nfq s GLY 37 CO -0.01 -1.85 0.15 1.34 0.00 0.00 0.00 173.10 172.73 1nfq n ASP 38 N -0.41 -0.23 -0.11 1.64 -0.08 -1.15 -0.20 116.55 116.02 1nfq n ASP 38 Ca -0.07 -1.11 0.02 0.00 -1.51 0.00 0.00 54.79 52.11 1nfq n ASP 38 Cb 0.60 0.37 0.01 0.00 2.34 0.00 0.00 41.12 44.44 1nfq n ASP 38 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1nfq n ILE 39 N -0.10 0.00 -3.18 5.18 -5.35 -1.26 -0.16 119.36 114.48 1nfq n ILE 39 Ca -0.00 -0.49 -0.44 0.00 -0.27 0.00 0.00 62.75 61.54 1nfq n ILE 39 Cb 0.08 1.06 0.00 0.00 -1.74 0.00 0.00 39.64 39.04 1nfq n ILE 39 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1nfq n LEU 40 N 0.02 5.89 -0.34 7.28 4.77 -1.26 -4.89 117.00 128.48 1nfq n LEU 40 Ca 0.02 -5.09 0.06 0.00 -0.03 0.00 0.00 56.01 50.97 1nfq n LEU 40 Cb 0.07 -1.40 0.24 0.00 -2.33 0.00 0.00 43.42 40.00 1nfq n LEU 40 CO 0.02 1.47 1.24 0.44 -1.33 0.00 0.00 177.39 179.24 1nfq h ASP 41 N 6.17 0.93 0.65 -1.43 3.32 -1.97 -0.70 116.42 123.38 1nfq h ASP 41 Ca 0.19 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 1nfq h ASP 41 Cb 0.77 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 1nfq h ASP 41 CO 1.16 0.54 -0.36 -0.33 -1.72 0.00 0.00 179.24 178.53 1nfq h GLU 42 N 1.02 -0.90 -0.76 3.56 3.07 -1.99 -0.01 114.58 118.56 1nfq h GLU 42 Ca 0.45 0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 59.35 1nfq h GLU 42 Cb 0.37 0.21 -0.04 0.00 -0.84 0.00 0.00 28.75 28.44 1nfq h GLU 42 CO -0.21 -0.60 0.38 0.93 -1.40 0.00 0.00 179.01 178.11 1nfq h GLU 43 N -0.94 1.07 0.05 2.33 3.07 -1.89 -1.58 114.58 116.69 1nfq h GLU 43 Ca -0.08 -0.14 -0.00 0.00 -0.50 0.00 0.00 59.36 58.64 1nfq h GLU 43 Cb 0.74 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1nfq h GLU 43 CO 0.11 0.81 -0.03 0.78 -1.40 0.00 0.00 179.01 179.28 1nfq h GLY 44 N 1.11 -0.08 1.89 -3.84 0.00 -0.88 -2.36 103.07 98.93 1nfq h GLY 44 Ca 0.26 0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.55 1nfq h GLY 44 CO -0.04 -0.03 -0.29 0.50 0.00 0.00 0.00 176.54 176.68 1nfq h LYS 45 N -0.11 0.12 0.57 4.80 1.57 -0.87 -1.81 116.57 120.84 1nfq h LYS 45 Ca -0.01 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1nfq h LYS 45 Cb 0.09 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1nfq h LYS 45 CO 0.01 0.41 -0.31 0.00 -0.57 0.00 0.00 179.45 178.99 1nfq h ALA 46 N 1.59 -0.82 0.00 3.86 0.00 -0.95 -2.66 119.26 120.28 1nfq h ALA 46 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1nfq h ALA 46 Cb 0.58 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1nfq h ALA 46 CO 0.04 -0.97 0.00 0.00 0.00 0.00 0.00 179.25 178.32 1nfq n MET 47 N -5.45 0.15 0.24 0.00 0.00 -0.92 -2.03 117.12 109.11 1nfq n MET 47 Ca -0.12 0.20 0.13 0.00 0.00 0.00 0.00 57.70 57.90 1nfq n MET 47 Cb 0.35 -1.70 0.51 0.00 0.00 0.00 0.00 33.22 32.38 1nfq n MET 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1nfq h ALA 48 N 2.60 1.00 0.02 3.17 0.00 -1.06 -2.68 119.26 122.32 1nfq h ALA 48 Ca 0.00 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.57 1nfq h ALA 48 Cb 0.55 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1nfq h ALA 48 CO 0.00 0.16 -0.95 0.00 0.00 0.00 0.00 179.25 178.46 1nfq h ALA 49 N 1.87 0.40 0.07 0.00 0.00 -1.07 -2.63 119.26 117.91 1nfq h ALA 49 Ca -0.00 -0.75 -0.26 0.00 0.00 0.00 0.00 54.91 53.91 1nfq h ALA 49 Cb 0.69 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1nfq h ALA 49 CO 0.02 0.90 -1.21 1.05 0.00 0.00 0.00 179.25 180.00 1nfq h GLU 50 N 0.14 0.16 0.00 0.00 4.11 -1.55 -3.06 114.58 114.38 1nfq h GLU 50 Ca -0.07 -0.27 0.00 0.00 0.07 0.00 0.00 59.36 59.10 1nfq h GLU 50 Cb 1.60 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.95 1nfq h GLU 50 CO 0.15 1.09 0.00 1.28 0.07 0.00 0.00 179.01 181.60 1nfq n LEU 51 N -3.43 0.00 0.00 3.06 4.77 -1.03 -4.94 117.00 115.43 1nfq n LEU 51 Ca -0.07 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1nfq n LEU 51 Cb 1.00 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1nfq n LEU 51 CO 0.50 -0.06 0.00 0.00 -1.33 0.00 0.00 177.39 176.51 1nfq n ALA 52 N -1.50 0.00 0.51 -1.18 0.00 -0.99 -2.12 120.51 115.22 1nfq n ALA 52 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.57 1nfq n ALA 52 Cb 0.30 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.05 1nfq n ALA 52 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1nfq n ASP 53 N 2.59 0.00 -0.51 0.00 5.68 -1.26 -3.33 116.55 119.71 1nfq n ASP 53 Ca 0.00 0.41 0.14 0.00 -0.50 0.00 0.00 54.79 54.84 1nfq n ASP 53 Cb 0.00 -0.45 0.45 0.00 -1.14 0.00 0.00 41.12 39.98 1nfq n ASP 53 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nfq n ALA 54 N -1.45 2.62 -2.22 2.12 0.00 -0.90 -4.94 120.51 115.74 1nfq n ALA 54 Ca 0.04 -0.47 -0.13 0.00 0.00 0.00 0.00 53.44 52.88 1nfq n ALA 54 Cb 0.15 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 18.38 1nfq n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nfq s ALA 55 N -2.06 1.24 -0.11 0.00 0.00 -1.21 -1.98 121.76 117.65 1nfq s ALA 55 Ca 0.35 -1.63 -0.06 0.00 0.00 0.00 0.00 51.96 50.63 1nfq s ALA 55 Cb 0.21 0.88 0.04 0.00 0.00 0.00 0.00 23.12 24.26 1nfq s ALA 55 CO 0.35 -0.44 0.26 1.03 0.00 0.00 0.00 175.76 176.96 1nfq s ARG 56 N -4.02 0.23 -0.08 0.00 1.81 -0.20 -4.85 118.95 111.84 1nfq s ARG 56 Ca 0.29 0.52 -0.06 0.00 -1.72 0.00 0.00 55.73 54.77 1nfq s ARG 56 Cb 0.07 -0.08 -0.04 0.00 -0.45 0.00 0.00 34.95 34.45 1nfq s ARG 56 CO 0.06 -0.14 0.15 -0.47 -0.68 0.00 0.00 175.30 174.22 1nfq s TYR 57 N 1.11 3.58 0.01 -0.53 5.04 -1.26 -1.28 117.35 124.02 1nfq s TYR 57 Ca -0.08 0.47 -0.01 0.00 -2.44 0.00 0.00 57.07 55.01 1nfq s TYR 57 Cb -0.09 -1.90 -0.01 0.00 0.35 0.00 0.00 41.96 40.30 1nfq s TYR 57 CO -0.08 0.71 0.01 0.14 -1.34 0.00 0.00 175.55 174.99 1nfq s VAL 58 N -1.13 0.10 -0.03 3.14 -7.23 -0.80 -4.96 120.40 109.49 1nfq s VAL 58 Ca 0.19 -0.81 -0.30 0.00 -1.81 0.00 0.00 61.98 59.25 1nfq s VAL 58 Cb -0.12 -0.28 -0.03 0.00 0.56 0.00 0.00 36.38 36.51 1nfq s VAL 58 CO 0.09 -0.44 1.11 -2.28 -0.31 0.00 0.00 175.10 173.26 1nfq s HIS 59 N -1.35 3.42 -0.20 2.82 2.46 -1.26 -2.93 115.29 118.25 1nfq s HIS 59 Ca -0.15 1.43 -0.04 0.00 0.47 0.00 0.00 55.06 56.77 1nfq s HIS 59 Cb -0.09 -3.30 0.09 0.00 -0.13 0.00 0.00 32.58 29.15 1nfq s HIS 59 CO -0.00 -0.77 0.25 -1.17 -2.47 0.00 0.00 174.74 170.57 1nfq s LEU 60 N 1.65 -0.20 -0.45 8.88 2.96 0.77 -4.82 118.68 127.48 1nfq s LEU 60 Ca 0.54 -0.05 -0.17 0.00 -0.22 0.00 0.00 54.13 54.23 1nfq s LEU 60 Cb -0.23 0.52 0.04 0.00 0.50 0.00 0.00 46.19 47.02 1nfq s LEU 60 CO 0.24 -0.31 0.43 -0.62 -1.32 0.00 0.00 176.35 174.77 1nfq s ASP 61 N 2.37 6.17 0.13 3.68 -1.08 -1.26 -3.77 116.67 122.91 1nfq s ASP 61 Ca 0.07 -0.93 0.06 0.00 -0.52 0.00 0.00 52.55 51.23 1nfq s ASP 61 Cb -0.15 -2.21 0.34 0.00 -1.46 0.00 0.00 42.92 39.44 1nfq s ASP 61 CO -0.12 -0.63 1.09 1.33 0.52 0.00 0.00 175.17 177.36 1nfq n VAL 62 N 5.36 1.19 1.20 1.11 0.24 -1.26 -0.76 118.33 125.41 1nfq n VAL 62 Ca -0.09 0.60 0.13 0.00 -2.04 0.00 0.00 64.34 62.93 1nfq n VAL 62 Cb 0.46 -1.60 0.36 0.00 -1.47 0.00 0.00 33.84 31.59 1nfq n VAL 62 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1nfq n THR 63 N -1.67 0.00 -3.62 3.34 -2.24 -1.26 -4.31 114.28 104.53 1nfq n THR 63 Ca -0.00 -0.10 -0.40 0.00 -2.27 0.00 0.00 64.05 61.28 1nfq n THR 63 Cb 0.17 0.35 -0.10 0.00 -2.10 0.00 0.00 70.33 68.65 1nfq n THR 63 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1nfq s GLN 64 N -2.60 2.57 0.46 -0.78 -1.52 0.06 -4.98 119.66 112.87 1nfq s GLN 64 Ca 0.22 -1.48 0.19 0.00 -1.95 0.00 0.00 55.36 52.33 1nfq s GLN 64 Cb 0.19 -3.76 1.17 0.00 -0.22 0.00 0.00 33.01 30.39 1nfq s GLN 64 CO 0.55 -0.96 1.95 -1.00 -0.25 0.00 0.00 175.29 175.58 1nfq h PRO 65 N 8.38 0.26 -0.57 2.91 0.13 -1.85 -1.47 132.00 139.79 1nfq h PRO 65 Ca -0.22 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.83 1nfq h PRO 65 Cb 1.08 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.13 1nfq h PRO 65 CO 0.75 0.17 0.10 0.00 -0.23 0.00 0.00 178.00 178.79 1nfq h ALA 66 N 1.68 1.10 -0.11 -0.56 0.00 -1.94 -2.19 119.26 117.23 1nfq h ALA 66 Ca 0.32 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1nfq h ALA 66 Cb 0.88 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1nfq h ALA 66 CO -0.07 0.59 -0.48 1.96 0.00 0.00 0.00 179.25 181.25 1nfq h GLN 67 N 0.86 0.29 -0.50 0.00 4.20 -1.60 -2.16 115.11 116.20 1nfq h GLN 67 Ca 0.18 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 1nfq h GLN 67 Cb 0.37 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1nfq h GLN 67 CO 0.01 0.71 0.18 -1.49 -0.67 0.00 0.00 178.83 177.56 1nfq h TRP 68 N 0.23 0.79 -0.81 2.96 4.06 -1.18 -0.64 115.95 121.36 1nfq h TRP 68 Ca 0.01 -0.07 -0.01 0.00 2.06 0.00 0.00 58.89 60.88 1nfq h TRP 68 Cb 0.93 -0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 28.82 1nfq h TRP 68 CO 0.02 0.67 0.46 -0.22 -3.56 0.00 0.00 178.44 175.81 1nfq h LYS 69 N 0.68 1.13 -0.72 0.49 3.64 -1.19 -0.59 116.57 120.00 1nfq h LYS 69 Ca 0.16 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1nfq h LYS 69 Cb 0.24 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1nfq h LYS 69 CO -0.01 0.82 0.27 0.00 -2.27 0.00 0.00 179.45 178.26 1nfq h ALA 70 N 1.24 0.94 -0.58 5.00 0.00 -1.04 0.22 119.26 125.05 1nfq h ALA 70 Ca 0.29 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1nfq h ALA 70 Cb 0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1nfq h ALA 70 CO -0.05 0.58 0.24 0.00 0.00 0.00 0.00 179.25 180.02 1nfq h ALA 71 N 1.13 0.75 -0.42 0.00 0.00 -0.49 -1.38 119.26 118.86 1nfq h ALA 71 Ca 0.24 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1nfq h ALA 71 Cb 0.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1nfq h ALA 71 CO -0.02 0.36 -0.04 0.28 0.00 0.00 0.00 179.25 179.84 1nfq h VAL 72 N 0.80 1.27 -0.88 0.00 2.07 -0.77 -2.50 116.25 116.24 1nfq h VAL 72 Ca 0.19 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1nfq h VAL 72 Cb 0.19 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1nfq h VAL 72 CO -0.02 0.37 0.56 0.44 0.02 0.00 0.00 177.57 178.95 1nfq h ASP 73 N 0.60 1.03 -0.22 0.57 3.32 -0.76 -1.32 116.42 119.64 1nfq h ASP 73 Ca 0.12 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1nfq h ASP 73 Cb 0.54 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1nfq h ASP 73 CO 0.03 0.76 0.14 0.74 -1.72 0.00 0.00 179.24 179.19 1nfq h THR 74 N 1.20 1.07 0.04 0.35 2.02 -1.05 -0.63 112.91 115.90 1nfq h THR 74 Ca 0.32 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.35 1nfq h THR 74 Cb -0.10 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1nfq h THR 74 CO -0.07 0.07 -0.02 0.00 0.37 0.00 0.00 175.52 175.87 1nfq h ALA 75 N 1.06 -0.06 -0.23 6.16 0.00 -0.99 0.29 119.26 125.50 1nfq h ALA 75 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1nfq h ALA 75 Cb -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1nfq h ALA 75 CO -0.02 -0.53 0.11 0.28 0.00 0.00 0.00 179.25 179.09 1nfq h VAL 76 N -0.06 1.14 -0.03 0.00 2.07 -1.14 0.08 116.25 118.31 1nfq h VAL 76 Ca -0.00 -0.42 -0.24 0.00 0.82 0.00 0.00 66.70 66.86 1nfq h VAL 76 Cb 0.05 0.99 0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1nfq h VAL 76 CO 0.01 0.14 -0.94 0.71 0.02 0.00 0.00 177.57 177.51 1nfq h THR 77 N 0.24 1.33 0.00 2.57 1.35 -1.10 0.12 112.91 117.43 1nfq h THR 77 Ca 0.08 -2.27 -0.22 0.00 -0.55 0.00 0.00 66.41 63.44 1nfq h THR 77 Cb 0.13 2.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.86 1nfq h THR 77 CO -0.01 0.69 -0.93 0.00 -0.25 0.00 0.00 175.52 175.02 1nfq h ALA 78 N 0.60 0.39 -0.00 6.62 0.00 -0.95 -3.38 119.26 122.54 1nfq h ALA 78 Ca -0.09 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1nfq h ALA 78 Cb 1.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1nfq h ALA 78 CO 0.18 0.84 -0.00 1.19 0.00 0.00 0.00 179.25 181.45 1nfq n PHE 79 N -3.73 0.00 -0.12 0.00 0.99 0.01 -5.03 117.46 109.59 1nfq n PHE 79 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.39 1nfq n PHE 79 Cb 0.83 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.31 1nfq n PHE 79 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1nfq n GLY 80 N 0.14 1.13 0.00 1.37 0.00 0.42 -4.98 105.19 103.26 1nfq n GLY 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nfq n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nfq n GLY 81 N -2.00 -1.51 3.00 -0.02 0.00 -1.21 -4.93 105.19 98.52 1nfq n GLY 81 Ca 0.00 -1.04 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 1nfq n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nfq s LEU 82 N 0.00 -0.28 -0.00 0.99 2.96 -1.26 -4.03 118.68 117.06 1nfq s LEU 82 Ca 0.00 0.58 0.00 0.00 -0.22 0.00 0.00 54.13 54.49 1nfq s LEU 82 Cb 0.00 0.68 -0.01 0.00 0.50 0.00 0.00 46.19 47.36 1nfq s LEU 82 CO 0.00 -0.24 0.01 1.41 -1.32 0.00 0.00 176.35 176.21 1nfq n HIS 83 N 5.33 0.00 -4.35 5.38 8.25 -0.11 -4.20 115.22 125.52 1nfq n HIS 83 Ca -0.06 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.20 1nfq n HIS 83 Cb 0.50 -0.01 -0.15 0.00 1.12 0.00 0.00 29.99 31.44 1nfq n HIS 83 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1nfq s VAL 84 N -2.03 0.72 -0.09 1.59 1.01 -0.54 -0.64 120.40 120.42 1nfq s VAL 84 Ca -0.00 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1nfq s VAL 84 Cb 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.77 1nfq s VAL 84 CO 0.02 0.22 -0.13 -0.22 0.00 0.00 0.00 175.10 174.99 1nfq s LEU 85 N 0.11 1.62 -0.37 3.92 2.96 -0.61 -0.29 118.68 126.01 1nfq s LEU 85 Ca -0.02 -0.36 0.00 0.00 -0.22 0.00 0.00 54.13 53.54 1nfq s LEU 85 Cb -0.07 -0.95 0.10 0.00 0.50 0.00 0.00 46.19 45.77 1nfq s LEU 85 CO 0.00 0.01 0.12 -0.69 -1.32 0.00 0.00 176.35 174.47 1nfq s VAL 86 N 0.94 2.80 -1.16 1.68 1.01 0.02 -0.16 120.40 125.54 1nfq s VAL 86 Ca -0.08 -2.14 -0.21 0.00 0.00 0.00 0.00 61.98 59.55 1nfq s VAL 86 Cb -0.15 -2.95 0.04 0.00 0.00 0.00 0.00 36.38 33.31 1nfq s VAL 86 CO -0.00 -0.60 1.68 0.20 0.00 0.00 0.00 175.10 176.37 1nfq s ASN 87 N 1.37 6.38 -0.14 3.32 0.01 0.17 -2.28 114.94 123.76 1nfq s ASN 87 Ca 0.08 -1.87 0.17 0.00 -0.71 0.00 0.00 52.86 50.53 1nfq s ASN 87 Cb -0.21 -2.58 -0.24 0.00 0.41 0.00 0.00 41.25 38.64 1nfq s ASN 87 CO -0.06 -1.63 0.15 -3.20 -1.51 0.00 0.00 177.10 170.85 1nfq n ASN 88 N 9.69 0.57 -4.68 -1.22 2.85 -1.24 -2.03 115.26 119.20 1nfq n ASN 88 Ca 0.42 0.00 -0.44 0.00 -0.11 0.00 0.00 54.58 54.46 1nfq n ASN 88 Cb 0.48 1.16 -0.02 0.00 1.24 0.00 0.00 39.78 42.64 1nfq n ASN 88 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1nfq n ALA 89 N -2.55 1.21 -3.60 5.20 0.00 -1.01 -4.88 120.51 114.88 1nfq n ALA 89 Ca -0.23 0.39 -0.02 0.00 0.00 0.00 0.00 53.44 53.57 1nfq n ALA 89 Cb 0.95 -2.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.12 1nfq n ALA 89 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nfq s GLY 90 N 0.01 -0.33 0.28 0.00 0.00 -1.26 -4.73 107.32 101.30 1nfq s GLY 90 Ca 0.62 1.33 0.04 0.00 0.00 0.00 0.00 44.72 46.71 1nfq s GLY 90 CO 0.55 0.41 0.03 -0.26 0.00 0.00 0.00 173.10 173.83 1nfq s ILE 91 N -2.41 1.12 -0.05 0.90 -4.36 -1.26 -5.04 121.20 110.10 1nfq s ILE 91 Ca 0.11 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.47 1nfq s ILE 91 Cb 0.01 -2.58 0.02 0.00 1.25 0.00 0.00 42.46 41.16 1nfq s ILE 91 CO -0.04 -0.15 -0.03 -0.22 0.24 0.00 0.00 174.94 174.74 1nfq s LEU 92 N -3.40 1.06 0.05 0.37 2.96 -1.26 -4.95 118.68 113.51 1nfq s LEU 92 Ca 0.33 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 54.14 1nfq s LEU 92 Cb 0.07 -0.44 -0.03 0.00 0.50 0.00 0.00 46.19 46.29 1nfq s LEU 92 CO 0.13 -0.11 -0.05 0.54 -1.32 0.00 0.00 176.35 175.53 1nfq s ASN 93 N 1.31 0.70 0.32 3.68 2.20 -1.26 -5.15 114.94 116.74 1nfq s ASN 93 Ca -0.05 -0.75 0.03 0.00 -0.94 0.00 0.00 52.86 51.15 1nfq s ASN 93 Cb -0.13 0.10 -0.05 0.00 -2.00 0.00 0.00 41.25 39.17 1nfq s ASN 93 CO -0.02 -0.38 0.09 0.27 -2.94 0.00 0.00 177.10 174.12 1nfq s ILE 94 N -2.51 0.82 0.00 0.54 -4.36 -1.26 -4.61 121.20 109.82 1nfq s ILE 94 Ca -0.02 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 1nfq s ILE 94 Cb -0.02 -2.64 0.00 0.00 1.25 0.00 0.00 42.46 41.04 1nfq s ILE 94 CO -0.04 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.75 1nfq n GLY 95 N -0.66 4.05 3.77 6.27 0.00 -0.45 -4.95 105.19 113.23 1nfq n GLY 95 Ca -0.02 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 1nfq n GLY 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nfq s THR 96 N -1.46 3.22 0.27 2.61 -4.23 -1.26 -4.24 115.64 110.54 1nfq s THR 96 Ca 0.00 0.40 -0.00 0.00 -1.18 0.00 0.00 61.69 60.91 1nfq s THR 96 Cb 0.00 -3.00 0.28 0.00 1.34 0.00 0.00 72.50 71.12 1nfq s THR 96 CO 0.00 -0.52 1.68 0.40 -0.54 0.00 0.00 174.62 175.64 1nfq h ILE 97 N -1.15 0.44 0.06 2.99 2.04 -1.96 -2.54 117.51 117.40 1nfq h ILE 97 Ca -0.46 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 1nfq h ILE 97 Cb 1.25 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1nfq h ILE 97 CO 0.55 0.05 -0.03 -0.33 0.00 0.00 0.00 178.15 178.40 1nfq h GLU 98 N 0.30 -0.08 -1.07 2.37 3.07 -2.06 -3.34 114.58 113.76 1nfq h GLU 98 Ca 0.50 0.01 -0.47 0.00 -0.50 0.00 0.00 59.36 58.90 1nfq h GLU 98 Cb 0.94 0.02 -0.25 0.00 -0.84 0.00 0.00 28.75 28.63 1nfq h GLU 98 CO -0.56 0.48 0.61 -0.40 -1.40 0.00 0.00 179.01 177.73 1nfq n ASP 99 N -4.84 5.03 -4.44 1.42 3.85 -1.15 -4.85 116.55 111.57 1nfq n ASP 99 Ca -0.08 -3.40 -0.39 0.00 -0.71 0.00 0.00 54.79 50.21 1nfq n ASP 99 Cb 0.30 -0.87 -0.11 0.00 -1.35 0.00 0.00 41.12 39.09 1nfq n ASP 99 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 1nfq s TYR 100 N -2.85 3.19 0.29 2.11 5.04 -0.97 -4.69 117.35 119.48 1nfq s TYR 100 Ca 0.49 -0.58 -0.30 0.00 -2.44 0.00 0.00 57.07 54.24 1nfq s TYR 100 Cb 0.40 -2.38 -0.11 0.00 0.35 0.00 0.00 41.96 40.23 1nfq s TYR 100 CO 0.05 -0.47 1.48 0.00 -1.34 0.00 0.00 175.55 175.27 1nfq s ALA 101 N 1.62 3.64 0.54 3.97 0.00 -1.26 -4.90 121.76 125.37 1nfq s ALA 101 Ca 0.04 1.44 0.29 0.00 0.00 0.00 0.00 51.96 53.73 1nfq s ALA 101 Cb -0.17 -3.59 1.73 0.00 0.00 0.00 0.00 23.12 21.09 1nfq s ALA 101 CO 0.07 -0.86 2.20 -0.07 0.00 0.00 0.00 175.76 177.11 1nfq h LEU 102 N 4.48 0.00 -0.42 0.00 3.38 -1.98 -1.24 115.31 119.53 1nfq h LEU 102 Ca -0.47 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.32 1nfq h LEU 102 Cb 1.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1nfq h LEU 102 CO 0.75 0.04 -0.74 0.71 0.09 0.00 0.00 178.44 179.29 1nfq h THR 103 N 0.00 1.40 -0.31 0.22 1.35 -1.99 -1.55 112.91 112.02 1nfq h THR 103 Ca -0.00 -2.20 -0.16 0.00 -0.55 0.00 0.00 66.41 63.51 1nfq h THR 103 Cb 0.10 2.16 -0.01 0.00 -1.73 0.00 0.00 68.15 68.67 1nfq h THR 103 CO 0.00 0.65 -0.43 -0.33 -0.25 0.00 0.00 175.52 175.16 1nfq h GLU 104 N 0.23 0.79 -0.20 4.72 5.08 -1.63 -0.73 114.58 122.84 1nfq h GLU 104 Ca -0.03 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1nfq h GLU 104 Cb 1.31 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 1nfq h GLU 104 CO 0.12 1.06 0.13 2.35 -1.00 0.00 0.00 179.01 181.67 1nfq h TRP 105 N 0.63 0.25 -0.66 4.33 2.91 -1.27 -1.39 115.95 120.76 1nfq h TRP 105 Ca 0.04 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 59.99 1nfq h TRP 105 Cb 1.00 -0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 29.54 1nfq h TRP 105 CO 0.06 0.18 0.10 1.96 -1.03 0.00 0.00 178.44 179.70 1nfq h GLN 106 N 0.26 1.09 -0.25 2.65 1.08 -1.18 -2.46 115.11 116.30 1nfq h GLN 106 Ca 0.07 -0.30 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 1nfq h GLN 106 Cb -0.01 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.28 1nfq h GLN 106 CO -0.01 1.01 0.16 -0.09 -0.95 0.00 0.00 178.83 178.95 1nfq h ARG 107 N 1.01 0.33 0.00 1.46 9.65 -0.88 -1.30 114.38 124.66 1nfq h ARG 107 Ca 0.20 -0.02 -0.09 0.00 -1.10 0.00 0.00 59.98 58.96 1nfq h ARG 107 Cb 0.45 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 1nfq h ARG 107 CO 0.01 0.23 -0.44 0.97 2.80 0.00 0.00 179.97 183.54 1nfq h ILE 108 N 0.34 1.30 -0.43 1.20 2.10 -1.19 -2.24 117.51 118.59 1nfq h ILE 108 Ca 0.09 -1.53 -0.11 0.00 1.08 0.00 0.00 64.86 64.40 1nfq h ILE 108 Cb -0.03 1.83 -0.01 0.00 -1.09 0.00 0.00 36.82 37.52 1nfq h ILE 108 CO -0.02 0.43 -0.16 -0.07 -1.08 0.00 0.00 178.15 177.26 1nfq h LEU 109 N 0.00 0.88 0.03 2.19 4.07 -1.07 -0.87 115.31 120.53 1nfq h LEU 109 Ca -0.00 -0.39 -0.00 0.00 0.08 0.00 0.00 57.88 57.57 1nfq h LEU 109 Cb 0.79 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.29 1nfq h LEU 109 CO 0.06 1.06 -0.01 0.44 -1.08 0.00 0.00 178.44 178.91 1nfq h ASP 110 N 0.68 -0.03 0.28 -0.43 3.32 -0.93 -0.84 116.42 118.48 1nfq h ASP 110 Ca 0.10 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1nfq h ASP 110 Cb 0.71 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1nfq h ASP 110 CO 0.05 0.11 -0.13 0.58 -1.72 0.00 0.00 179.24 178.13 1nfq h VAL 111 N -0.16 0.09 0.00 -1.35 2.07 -1.44 0.18 116.25 115.64 1nfq h VAL 111 Ca -0.00 -0.77 -0.07 0.00 0.82 0.00 0.00 66.70 66.68 1nfq h VAL 111 Cb 0.15 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1nfq h VAL 111 CO 0.01 0.03 -0.34 0.78 0.02 0.00 0.00 177.57 178.06 1nfq h ASN 112 N -1.08 0.00 0.00 0.57 4.21 -1.29 -3.10 115.58 114.88 1nfq h ASN 112 Ca -0.04 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.47 1nfq h ASN 112 Cb 0.33 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.53 1nfq h ASN 112 CO 0.06 0.34 -0.36 -0.11 -1.29 0.00 0.00 177.43 176.07 1nfq n LEU 113 N -3.81 1.30 -0.13 1.61 7.94 -0.81 -4.44 117.00 118.65 1nfq n LEU 113 Ca -0.01 0.19 -0.00 0.00 -1.11 0.00 0.00 56.01 55.08 1nfq n LEU 113 Cb 0.42 -0.47 0.26 0.00 0.53 0.00 0.00 43.42 44.16 1nfq n LEU 113 CO 0.37 -0.56 1.11 0.74 -1.11 0.00 0.00 177.39 177.95 1nfq h THR 114 N -0.36 1.19 -0.99 1.96 2.02 -1.11 -1.95 112.91 113.66 1nfq h THR 114 Ca 0.00 -0.52 0.02 0.00 0.77 0.00 0.00 66.41 66.68 1nfq h THR 114 Cb 0.36 0.42 -0.05 0.00 -1.74 0.00 0.00 68.15 67.14 1nfq h THR 114 CO 0.00 0.22 0.65 1.23 0.37 0.00 0.00 175.52 177.99 1nfq h GLY 115 N 0.91 1.42 1.06 2.16 0.00 -0.56 0.67 103.07 108.73 1nfq h GLY 115 Ca 0.21 -0.51 -0.12 0.00 0.00 0.00 0.00 47.33 46.91 1nfq h GLY 115 CO -0.03 0.47 -0.18 -2.08 0.00 0.00 0.00 176.54 174.73 1nfq h VAL 116 N 1.31 1.27 -0.46 4.60 2.07 -1.52 -2.13 116.25 121.39 1nfq h VAL 116 Ca 0.38 -1.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.54 1nfq h VAL 116 Cb -0.09 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1nfq h VAL 116 CO -0.10 0.45 0.16 0.15 0.02 0.00 0.00 177.57 178.25 1nfq h PHE 117 N 0.75 0.73 -0.73 1.57 3.57 -0.77 -2.47 116.94 119.59 1nfq h PHE 117 Ca 0.11 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1nfq h PHE 117 Cb 0.74 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 1nfq h PHE 117 CO 0.05 0.64 0.38 -0.07 -2.23 0.00 0.00 178.31 177.08 1nfq h LEU 118 N 0.61 0.92 -0.72 0.59 3.38 -0.78 -1.68 115.31 117.62 1nfq h LEU 118 Ca 0.15 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1nfq h LEU 118 Cb 0.24 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1nfq h LEU 118 CO -0.01 0.76 0.28 1.23 0.09 0.00 0.00 178.44 180.79 1nfq h GLY 119 N 1.07 1.17 0.95 0.83 0.00 -1.15 -1.55 103.07 104.38 1nfq h GLY 119 Ca 0.26 -0.64 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 1nfq h GLY 119 CO -0.04 0.60 0.01 -2.22 0.00 0.00 0.00 176.54 174.89 1nfq h ILE 120 N 1.04 1.26 -0.68 2.60 2.04 -1.00 -2.47 117.51 120.30 1nfq h ILE 120 Ca 0.24 -0.99 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 1nfq h ILE 120 Cb 0.22 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1nfq h ILE 120 CO -0.02 0.34 0.37 0.03 0.00 0.00 0.00 178.15 178.87 1nfq h ARG 121 N 0.53 0.94 -0.02 2.37 3.08 -1.13 -2.69 114.38 117.47 1nfq h ARG 121 Ca 0.11 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 1nfq h ARG 121 Cb 0.46 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1nfq h ARG 121 CO 0.02 0.70 -0.50 0.00 -1.07 0.00 0.00 179.97 179.11 1nfq h ALA 122 N 1.46 1.14 0.00 0.04 0.00 -1.05 -3.31 119.26 117.54 1nfq h ALA 122 Ca 0.24 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1nfq h ALA 122 Cb 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1nfq h ALA 122 CO -0.04 0.63 -0.90 1.33 0.00 0.00 0.00 179.25 180.27 1nfq n VAL 123 N -3.94 0.00 -0.27 0.00 0.24 -0.95 -4.48 118.33 108.92 1nfq n VAL 123 Ca -0.02 -0.01 -0.03 0.00 -2.04 0.00 0.00 64.34 62.25 1nfq n VAL 123 Cb 0.52 0.82 0.14 0.00 -1.47 0.00 0.00 33.84 33.85 1nfq n VAL 123 CO 0.00 0.00 0.00 -0.37 -2.14 0.00 0.00 176.83 174.32 1nfq h VAL 124 N 0.00 1.24 0.72 3.34 -1.51 -1.58 -2.67 116.25 115.79 1nfq h VAL 124 Ca 0.00 -0.60 -0.03 0.00 -1.23 0.00 0.00 66.70 64.84 1nfq h VAL 124 Cb 0.51 0.14 -0.01 0.00 -2.13 0.00 0.00 31.29 29.80 1nfq h VAL 124 CO 0.00 0.27 -0.49 0.50 -1.23 0.00 0.00 177.57 176.62 1nfq h LYS 125 N 1.13 -1.11 -0.50 5.19 3.64 -1.80 0.18 116.57 123.30 1nfq h LYS 125 Ca 0.29 0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.72 1nfq h LYS 125 Cb 0.03 0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1nfq h LYS 125 CO -0.05 -0.74 0.22 -1.00 -2.27 0.00 0.00 179.45 175.61 1nfq h PRO 126 N -1.15 0.71 -0.48 1.90 0.13 -1.85 -2.28 132.00 128.98 1nfq h PRO 126 Ca -0.10 -0.09 -0.11 0.00 -0.87 0.00 0.00 66.00 64.83 1nfq h PRO 126 Cb 0.94 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 1nfq h PRO 126 CO 0.07 0.57 -0.15 0.52 -0.23 0.00 0.00 178.00 178.78 1nfq h MET 127 N 0.71 0.94 -0.11 0.86 2.86 -1.31 -1.98 114.93 116.89 1nfq h MET 127 Ca 0.17 -0.38 -0.06 0.00 -2.06 0.00 0.00 59.70 57.37 1nfq h MET 127 Cb 0.11 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1nfq h MET 127 CO -0.02 1.04 -0.22 0.87 1.06 0.00 0.00 176.91 179.64 1nfq h LYS 128 N 0.79 0.19 -0.17 1.72 1.57 -0.36 -0.45 116.57 119.87 1nfq h LYS 128 Ca 0.12 -0.06 -0.20 0.00 -1.87 0.00 0.00 60.65 58.65 1nfq h LYS 128 Cb 0.71 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1nfq h LYS 128 CO 0.05 0.42 -0.68 0.93 -0.57 0.00 0.00 179.45 179.60 1nfq h GLU 129 N 0.18 0.68 0.00 3.15 5.08 -1.23 -2.83 114.58 119.61 1nfq h GLU 129 Ca 0.03 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1nfq h GLU 129 Cb 0.50 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1nfq h GLU 129 CO 0.03 1.12 0.00 0.00 -1.00 0.00 0.00 179.01 179.17 1nfq h ALA 130 N 0.75 1.00 0.00 3.43 0.00 -0.97 -3.47 119.26 119.99 1nfq h ALA 130 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nfq h ALA 130 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1nfq h ALA 130 CO 0.13 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.79 1nfq n GLY 131 N 0.49 0.46 3.41 0.00 0.00 -0.21 -4.98 105.19 104.35 1nfq n GLY 131 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 1nfq n GLY 131 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1nfq s ARG 132 N -0.49 0.82 -0.27 1.61 1.70 -1.18 -4.40 118.95 116.74 1nfq s ARG 132 Ca 0.00 0.23 -0.35 0.00 -0.47 0.00 0.00 55.73 55.14 1nfq s ARG 132 Cb 0.00 0.38 0.17 0.00 -0.57 0.00 0.00 34.95 34.93 1nfq s ARG 132 CO 0.00 -0.22 1.34 0.20 -1.08 0.00 0.00 175.30 175.54 1nfq s GLY 133 N -0.87 -0.12 -0.07 3.88 0.00 -1.03 -4.79 107.32 104.31 1nfq s GLY 133 Ca -0.09 2.17 -0.01 0.00 0.00 0.00 0.00 44.72 46.78 1nfq s GLY 133 CO 0.06 0.78 0.00 -0.45 0.00 0.00 0.00 173.10 173.49 1nfq s SER 134 N -1.70 1.56 -0.18 1.64 0.15 0.19 -0.27 113.70 115.09 1nfq s SER 134 Ca 0.10 -0.08 -0.04 0.00 0.70 0.00 0.00 55.95 56.63 1nfq s SER 134 Cb -0.01 -0.43 -0.02 0.00 -1.71 0.00 0.00 66.02 63.85 1nfq s SER 134 CO -0.04 -0.19 -0.03 -0.63 1.20 0.00 0.00 173.24 173.54 1nfq s ILE 135 N 1.97 3.81 -0.27 6.45 1.01 0.86 -1.58 121.20 133.45 1nfq s ILE 135 Ca 0.05 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.33 1nfq s ILE 135 Cb -0.12 -2.70 0.05 0.00 0.01 0.00 0.00 42.46 39.70 1nfq s ILE 135 CO -0.05 0.46 -0.07 -0.63 0.00 0.00 0.00 174.94 174.64 1nfq s ILE 136 N 0.77 2.53 -0.23 2.92 1.01 0.78 -1.59 121.20 127.39 1nfq s ILE 136 Ca -0.01 -1.42 -0.13 0.00 0.00 0.00 0.00 60.65 59.09 1nfq s ILE 136 Cb -0.14 -2.42 -0.05 0.00 0.01 0.00 0.00 42.46 39.86 1nfq s ILE 136 CO 0.02 0.01 0.25 0.20 0.00 0.00 0.00 174.94 175.43 1nfq s ASN 137 N 1.19 6.23 -0.51 3.58 0.01 -0.16 -0.66 114.94 124.62 1nfq s ASN 137 Ca -0.06 0.25 -0.23 0.00 -0.71 0.00 0.00 52.86 52.12 1nfq s ASN 137 Cb -0.19 -2.15 0.04 0.00 0.41 0.00 0.00 41.25 39.36 1nfq s ASN 137 CO -0.04 0.00 0.83 -0.63 -1.51 0.00 0.00 177.10 175.75 1nfq s ILE 138 N 1.21 4.56 0.00 0.60 -1.09 -0.86 -0.80 121.20 124.82 1nfq s ILE 138 Ca 0.12 0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.73 1nfq s ILE 138 Cb -0.14 -4.42 0.00 0.00 -1.58 0.00 0.00 42.46 36.32 1nfq s ILE 138 CO 0.06 -0.92 0.00 -0.24 -1.23 0.00 0.00 174.94 172.61 1nfq n SER 139 N 6.98 0.00 -3.70 3.58 2.88 0.51 -4.92 113.62 118.94 1nfq n SER 139 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 1nfq n SER 139 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1nfq n SER 139 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1nfq s SER 140 N -0.80 -0.02 0.08 -3.46 1.04 -1.24 -4.46 113.70 104.84 1nfq s SER 140 Ca 0.00 -0.11 0.18 0.00 0.48 0.00 0.00 55.95 56.50 1nfq s SER 140 Cb 0.00 0.10 0.75 0.00 0.10 0.00 0.00 66.02 66.97 1nfq s SER 140 CO 0.00 -0.19 1.56 2.30 0.98 0.00 0.00 173.24 177.88 1nfq n ILE 141 N -0.66 0.91 1.35 -1.02 -5.35 -1.09 -0.75 119.36 112.75 1nfq n ILE 141 Ca -0.04 0.23 0.13 0.00 -0.27 0.00 0.00 62.75 62.79 1nfq n ILE 141 Cb 0.62 -1.02 0.68 0.00 -1.74 0.00 0.00 39.64 38.17 1nfq n ILE 141 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1nfq n GLU 142 N -1.72 0.52 -0.31 6.28 4.71 -1.26 -1.44 120.64 127.41 1nfq n GLU 142 Ca 0.03 0.03 0.11 0.00 -0.01 0.00 0.00 57.16 57.33 1nfq n GLU 142 Cb 0.20 -1.50 0.28 0.00 -1.01 0.00 0.00 31.44 29.41 1nfq n GLU 142 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1nfq n GLY 143 N 0.78 2.28 0.00 0.62 0.00 0.07 -4.28 105.19 104.65 1nfq n GLY 143 Ca 0.15 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1nfq n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nfq n LEU 144 N 1.53 0.32 -4.02 0.99 4.77 -0.52 -4.45 117.00 115.63 1nfq n LEU 144 Ca 0.22 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.10 1nfq n LEU 144 Cb 0.60 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.63 1nfq n LEU 144 CO 0.16 0.05 0.01 0.00 -1.33 0.00 0.00 177.39 176.28 1nfq s ALA 145 N -1.95 0.13 0.57 -1.18 0.00 -0.92 -5.14 121.76 113.27 1nfq s ALA 145 Ca 0.00 -1.03 -0.00 0.00 0.00 0.00 0.00 51.96 50.92 1nfq s ALA 145 Cb 0.00 1.03 0.03 0.00 0.00 0.00 0.00 23.12 24.19 1nfq s ALA 145 CO 0.00 -0.71 0.81 0.20 0.00 0.00 0.00 175.76 176.06 1nfq s GLY 146 N -3.02 1.78 -0.09 0.00 0.00 -1.26 -4.41 107.32 100.32 1nfq s GLY 146 Ca 0.23 -1.23 -0.10 0.00 0.00 0.00 0.00 44.72 43.63 1nfq s GLY 146 CO 0.05 -0.93 0.26 -1.59 0.00 0.00 0.00 173.10 170.89 1nfq s THR 147 N -2.83 0.01 0.44 0.90 2.01 -1.26 -5.06 115.64 109.85 1nfq s THR 147 Ca 0.57 -0.08 -0.25 0.00 0.31 0.00 0.00 61.69 62.24 1nfq s THR 147 Cb -0.10 -0.40 -0.08 0.00 0.01 0.00 0.00 72.50 71.92 1nfq s THR 147 CO 0.39 -0.04 1.36 -0.69 -0.69 0.00 0.00 174.62 174.95 1nfq s VAL 148 N -0.07 2.35 -1.34 3.82 1.01 -1.26 -3.02 120.40 121.89 1nfq s VAL 148 Ca -0.02 0.31 -0.01 0.00 0.00 0.00 0.00 61.98 62.26 1nfq s VAL 148 Cb -0.02 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.18 1nfq s VAL 148 CO 0.01 0.04 0.06 0.00 0.00 0.00 0.00 175.10 175.21 1nfq n ALA 149 N -0.13 -0.75 -2.55 5.51 0.00 -1.26 -4.86 120.51 116.47 1nfq n ALA 149 Ca 0.05 0.13 -0.10 0.00 0.00 0.00 0.00 53.44 53.52 1nfq n ALA 149 Cb 0.43 -1.94 0.04 0.00 0.00 0.00 0.00 19.45 17.98 1nfq n ALA 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nfq h HIS 151 N 2.52 0.44 -0.21 0.00 -0.00 -1.81 -0.53 115.15 115.58 1nfq h HIS 151 Ca 0.04 -0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 60.33 1nfq h HIS 151 Cb 1.32 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 28.59 1nfq h HIS 151 CO 0.62 0.47 -0.03 0.78 -0.00 0.00 0.00 177.93 179.78 1nfq h GLY 152 N 0.29 0.42 0.92 2.45 0.00 -1.92 -1.38 103.07 103.86 1nfq h GLY 152 Ca 0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1nfq h GLY 152 CO -0.00 0.30 0.09 -1.82 0.00 0.00 0.00 176.54 175.11 1nfq h TYR 153 N 0.13 0.26 -0.31 5.60 3.20 -1.81 -1.82 116.97 122.22 1nfq h TYR 153 Ca 0.06 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 1nfq h TYR 153 Cb 0.45 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 1nfq h TYR 153 CO 0.04 0.27 0.18 1.15 -1.64 0.00 0.00 178.16 178.16 1nfq h THR 154 N 0.18 1.12 -0.35 1.81 2.02 -1.10 -1.09 112.91 115.50 1nfq h THR 154 Ca 0.06 -0.30 0.02 0.00 0.77 0.00 0.00 66.41 66.96 1nfq h THR 154 Cb 0.10 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1nfq h THR 154 CO -0.01 0.12 0.20 0.00 0.37 0.00 0.00 175.52 176.20 1nfq h ALA 155 N 1.06 0.43 -0.28 6.16 0.00 -1.13 -1.61 119.26 123.88 1nfq h ALA 155 Ca 0.11 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 1nfq h ALA 155 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1nfq h ALA 155 CO -0.02 -0.15 -0.37 1.79 0.00 0.00 0.00 179.25 180.49 1nfq h THR 156 N 0.41 1.29 0.00 0.00 1.35 -1.20 -1.29 112.91 113.46 1nfq h THR 156 Ca 0.14 -1.53 -0.10 0.00 -0.55 0.00 0.00 66.41 64.37 1nfq h THR 156 Cb 0.01 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 1nfq h THR 156 CO -0.07 0.49 -0.46 0.11 -0.25 0.00 0.00 175.52 175.34 1nfq h LYS 157 N 0.54 0.00 -0.11 4.72 1.79 -1.02 0.19 116.57 122.68 1nfq h LYS 157 Ca 0.05 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.29 1nfq h LYS 157 Cb 0.89 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.55 1nfq h LYS 157 CO 0.08 0.46 -0.85 0.74 -1.08 0.00 0.00 179.45 178.80 1nfq h PHE 158 N 0.00 1.05 -0.52 -1.35 -1.00 -1.16 -2.84 116.94 111.12 1nfq h PHE 158 Ca -0.00 -0.49 -0.03 0.00 2.81 0.00 0.00 57.97 60.25 1nfq h PHE 158 Cb 0.84 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 40.23 1nfq h PHE 158 CO 0.00 1.32 0.19 0.00 -1.61 0.00 0.00 178.31 178.22 1nfq h ALA 159 N 0.53 0.68 -0.52 2.45 0.00 -0.83 -1.79 119.26 119.78 1nfq h ALA 159 Ca -0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1nfq h ALA 159 Cb 1.48 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 1nfq h ALA 159 CO 0.17 0.31 0.25 0.28 0.00 0.00 0.00 179.25 180.26 1nfq h VAL 160 N 0.71 1.17 -0.56 0.00 2.07 -1.00 0.23 116.25 118.87 1nfq h VAL 160 Ca 0.17 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 1nfq h VAL 160 Cb 0.23 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1nfq h VAL 160 CO -0.01 0.20 0.20 -0.09 0.02 0.00 0.00 177.57 177.89 1nfq h ARG 161 N 0.72 0.85 -0.19 1.57 2.43 -1.18 -1.70 114.38 116.89 1nfq h ARG 161 Ca 0.18 -0.17 -0.18 0.00 -0.81 0.00 0.00 59.98 59.00 1nfq h ARG 161 Cb 0.07 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1nfq h ARG 161 CO -0.02 0.76 -0.58 0.78 -1.51 0.00 0.00 179.97 179.40 1nfq h GLY 162 N 0.78 0.81 1.85 2.80 0.00 -0.50 -3.10 103.07 105.71 1nfq h GLY 162 Ca 0.18 -1.04 -0.00 0.00 0.00 0.00 0.00 47.33 46.47 1nfq h GLY 162 CO -0.01 0.93 0.09 -2.00 0.00 0.00 0.00 176.54 175.54 1nfq h LEU 163 N 0.45 0.18 -0.80 3.11 5.85 -0.47 -1.49 115.31 122.15 1nfq h LEU 163 Ca -0.02 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1nfq h LEU 163 Cb 1.20 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 1nfq h LEU 163 CO 0.12 0.14 0.40 0.74 -0.34 0.00 0.00 178.44 179.50 1nfq h THR 164 N 0.21 1.25 -0.08 1.05 2.02 -1.23 -2.27 112.91 113.85 1nfq h THR 164 Ca 0.05 -0.67 -0.05 0.00 0.77 0.00 0.00 66.41 66.51 1nfq h THR 164 Cb -0.00 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 66.64 1nfq h THR 164 CO -0.01 0.29 -0.14 0.11 0.37 0.00 0.00 175.52 176.14 1nfq h LYS 165 N 1.12 0.24 -0.65 6.66 1.57 -1.28 -2.03 116.57 122.19 1nfq h LYS 165 Ca 0.28 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1nfq h LYS 165 Cb 0.10 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1nfq h LYS 165 CO -0.04 0.72 0.21 0.66 -0.57 0.00 0.00 179.45 180.44 1nfq h SER 166 N -0.23 0.94 0.49 0.86 4.64 -1.48 -2.26 113.55 116.52 1nfq h SER 166 Ca 0.01 -0.20 -0.13 0.00 -0.47 0.00 0.00 61.79 60.99 1nfq h SER 166 Cb 0.71 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1nfq h SER 166 CO 0.03 0.89 -0.59 0.71 -0.87 0.00 0.00 176.83 177.01 1nfq h THR 167 N 0.94 1.40 -0.68 2.95 1.35 -1.48 -2.65 112.91 114.74 1nfq h THR 167 Ca 0.21 -1.98 -0.08 0.00 -0.55 0.00 0.00 66.41 64.01 1nfq h THR 167 Cb 0.28 2.04 -0.03 0.00 -1.73 0.00 0.00 68.15 68.71 1nfq h THR 167 CO -0.01 0.57 0.10 0.00 -0.25 0.00 0.00 175.52 175.94 1nfq h ALA 168 N 1.33 0.90 -0.49 6.62 0.00 -1.06 0.20 119.26 126.75 1nfq h ALA 168 Ca -0.01 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 1nfq h ALA 168 Cb 1.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1nfq h ALA 168 CO 0.08 0.67 -0.16 -0.07 0.00 0.00 0.00 179.25 179.78 1nfq h LEU 169 N 1.05 0.96 -0.17 0.00 3.38 -1.31 -0.64 115.31 118.58 1nfq h LEU 169 Ca 0.20 -0.33 -0.19 0.00 0.09 0.00 0.00 57.88 57.65 1nfq h LEU 169 Cb 0.45 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1nfq h LEU 169 CO 0.01 1.10 -0.63 -0.08 0.09 0.00 0.00 178.44 178.94 1nfq h GLU 170 N 0.84 0.72 0.00 1.13 4.81 -1.25 -3.31 114.58 117.52 1nfq h GLU 170 Ca 0.12 -0.55 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1nfq h GLU 170 Cb 0.71 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1nfq h GLU 170 CO 0.05 1.17 -0.46 -0.07 -0.73 0.00 0.00 179.01 178.98 1nfq h LEU 171 N 0.42 0.00 -0.57 1.64 3.38 -0.96 -3.38 115.31 115.84 1nfq h LEU 171 Ca -0.03 -0.15 0.11 0.00 0.09 0.00 0.00 57.88 57.90 1nfq h LEU 171 Cb 1.26 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.90 1nfq h LEU 171 CO 0.13 0.07 -0.19 1.23 0.09 0.00 0.00 178.44 179.78 1nfq h GLY 172 N 4.49 0.30 1.68 0.83 0.00 -1.16 -0.10 103.07 109.10 1nfq h GLY 172 Ca 0.00 0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.58 1nfq h GLY 172 CO 0.00 -0.22 0.15 -2.55 0.00 0.00 0.00 176.54 173.92 1nfq h PRO 173 N -0.05 0.00 -0.20 4.80 0.11 -1.80 0.30 132.00 135.16 1nfq h PRO 173 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 1nfq h PRO 173 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 1nfq h PRO 173 CO -0.61 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 177.61 1nfq n SER 174 N -3.19 2.18 0.00 -2.05 7.64 -0.07 -4.92 113.62 113.21 1nfq n SER 174 Ca -0.02 -1.78 0.00 0.00 1.01 0.00 0.00 58.87 58.08 1nfq n SER 174 Cb 0.22 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 1nfq n SER 174 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nfq n GLY 175 N 1.24 0.51 3.59 0.23 0.00 0.09 -4.18 105.19 106.67 1nfq n GLY 175 Ca 0.17 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.25 1nfq n GLY 175 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nfq s ILE 176 N -2.00 4.56 -0.05 -0.61 1.01 -1.10 -2.47 121.20 120.55 1nfq s ILE 176 Ca 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 60.65 60.51 1nfq s ILE 176 Cb 0.00 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 1nfq s ILE 176 CO 0.00 0.46 0.10 -0.13 0.00 0.00 0.00 174.94 175.37 1nfq s ARG 177 N 0.45 3.20 -0.09 2.79 0.52 0.62 -3.58 118.95 122.86 1nfq s ARG 177 Ca 0.02 -0.37 -0.00 0.00 -0.52 0.00 0.00 55.73 54.86 1nfq s ARG 177 Cb -0.13 -2.96 0.02 0.00 0.52 0.00 0.00 34.95 32.40 1nfq s ARG 177 CO 0.01 0.69 -0.05 0.08 0.02 0.00 0.00 175.30 176.05 1nfq s VAL 178 N -1.13 0.75 0.07 3.52 1.01 -1.26 -0.10 120.40 123.26 1nfq s VAL 178 Ca 0.20 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1nfq s VAL 178 Cb -0.12 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1nfq s VAL 178 CO 0.10 0.31 -0.06 0.20 0.00 0.00 0.00 175.10 175.66 1nfq s ASN 179 N 1.61 0.87 0.01 3.32 0.01 -0.62 0.15 114.94 120.29 1nfq s ASN 179 Ca 0.01 -0.83 0.06 0.00 -0.71 0.00 0.00 52.86 51.39 1nfq s ASN 179 Cb -0.13 0.10 -0.03 0.00 0.41 0.00 0.00 41.25 41.60 1nfq s ASN 179 CO -0.05 -0.40 -0.16 -0.94 -1.51 0.00 0.00 177.10 174.04 1nfq s SER 180 N -2.46 3.94 -0.12 -1.22 1.04 -0.58 -0.99 113.70 113.30 1nfq s SER 180 Ca 0.02 -0.34 -0.02 0.00 0.48 0.00 0.00 55.95 56.09 1nfq s SER 180 Cb -0.00 -0.72 -0.03 0.00 0.10 0.00 0.00 66.02 65.37 1nfq s SER 180 CO -0.04 0.28 -0.04 -0.63 0.98 0.00 0.00 173.24 173.79 1nfq s ILE 181 N -0.88 3.89 -0.51 -1.02 1.01 0.02 -0.63 121.20 123.07 1nfq s ILE 181 Ca 0.14 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.45 1nfq s ILE 181 Cb -0.11 -2.67 0.13 0.00 0.01 0.00 0.00 42.46 39.83 1nfq s ILE 181 CO 0.04 0.53 0.27 -1.00 0.00 0.00 0.00 174.94 174.78 1nfq s HIS 182 N -0.09 2.99 0.47 3.97 3.76 0.42 -0.36 115.29 126.44 1nfq s HIS 182 Ca 0.02 -3.06 -0.04 0.00 -0.15 0.00 0.00 55.06 51.83 1nfq s HIS 182 Cb -0.13 -2.65 -0.03 0.00 1.11 0.00 0.00 32.58 30.87 1nfq s HIS 182 CO 0.03 -0.74 0.76 -1.25 -0.85 0.00 0.00 174.74 172.68 1nfq s PRO 183 N -0.23 3.49 0.00 8.40 0.04 -1.26 -1.90 135.00 143.53 1nfq s PRO 183 Ca 0.17 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.32 1nfq s PRO 183 Cb -0.25 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1nfq s PRO 183 CO -0.01 -0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.26 1nfq n GLY 184 N -2.21 1.47 3.68 0.56 0.00 -0.92 -2.66 105.19 105.11 1nfq n GLY 184 Ca 0.00 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 1nfq n GLY 184 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nfq s LEU 185 N 0.00 4.26 -0.02 0.99 2.96 -1.26 -4.94 118.68 120.68 1nfq s LEU 185 Ca 0.00 1.86 0.07 0.00 -0.22 0.00 0.00 54.13 55.85 1nfq s LEU 185 Cb 0.00 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.12 1nfq s LEU 185 CO 0.00 -0.68 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.42 1nfq s VAL 186 N 2.68 1.91 -0.76 1.68 1.01 -1.26 -1.35 120.40 124.31 1nfq s VAL 186 Ca 0.58 -1.04 -0.26 0.00 0.00 0.00 0.00 61.98 61.26 1nfq s VAL 186 Cb -0.26 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 1nfq s VAL 186 CO 0.21 0.53 1.74 -0.54 0.00 0.00 0.00 175.10 177.04 1nfq s LYS 187 N -0.59 2.81 0.22 2.72 1.02 -0.79 -4.72 119.74 120.40 1nfq s LYS 187 Ca 0.09 0.03 -0.05 0.00 0.02 0.00 0.00 55.97 56.06 1nfq s LYS 187 Cb -0.09 -4.64 -0.03 0.00 -0.52 0.00 0.00 37.83 32.55 1nfq s LYS 187 CO -0.01 -2.76 0.25 0.95 -0.92 0.00 0.00 175.35 172.87 1nfq s THR 188 N 8.34 0.00 0.58 2.17 -4.23 -1.26 -4.61 115.64 116.63 1nfq s THR 188 Ca 0.60 -1.79 0.40 0.00 -1.18 0.00 0.00 61.69 59.73 1nfq s THR 188 Cb -0.09 -2.38 0.42 0.00 1.34 0.00 0.00 72.50 71.79 1nfq s THR 188 CO 0.10 -0.01 2.30 1.55 -0.54 0.00 0.00 174.62 178.02 1nfq h PRO 189 N 2.50 0.00 0.00 3.99 0.13 -1.98 -1.48 132.00 135.15 1nfq h PRO 189 Ca -0.32 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.77 1nfq h PRO 189 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1nfq h PRO 189 CO 0.47 0.01 -0.16 1.98 -0.23 0.00 0.00 178.00 180.07 1nfq h MET 190 N 0.00 0.00 0.00 0.86 4.05 -1.96 -3.31 114.93 114.57 1nfq h MET 190 Ca -0.00 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.38 1nfq h MET 190 Cb 0.08 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 30.79 1nfq h MET 190 CO 0.00 0.16 -0.53 0.25 0.23 0.00 0.00 176.91 177.02 1nfq n THR 191 N -3.35 0.60 0.51 -0.77 -2.24 -0.65 -4.82 114.28 103.56 1nfq n THR 191 Ca -0.00 -1.01 0.09 0.00 -2.27 0.00 0.00 64.05 60.85 1nfq n THR 191 Cb 0.38 0.40 0.38 0.00 -2.10 0.00 0.00 70.33 69.38 1nfq n THR 191 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1nfq n ASP 192 N -0.28 0.19 -0.48 3.42 5.68 -0.68 -1.97 116.55 122.43 1nfq n ASP 192 Ca 0.07 0.54 0.13 0.00 -0.50 0.00 0.00 54.79 55.03 1nfq n ASP 192 Cb 0.79 -0.58 0.30 0.00 -1.14 0.00 0.00 41.12 40.49 1nfq n ASP 192 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 1nfq n TRP 193 N -1.70 0.00 -3.75 2.11 4.27 -1.26 -4.88 117.44 112.22 1nfq n TRP 193 Ca 0.03 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.29 1nfq n TRP 193 Cb 0.20 -0.04 -0.07 0.00 -1.36 0.00 0.00 31.31 30.04 1nfq n TRP 193 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 1nfq s VAL 194 N -2.27 5.42 0.20 -1.67 1.01 -0.83 -5.05 120.40 117.21 1nfq s VAL 194 Ca 0.28 0.25 -0.32 0.00 0.00 0.00 0.00 61.98 62.19 1nfq s VAL 194 Cb 0.20 -3.47 -0.12 0.00 0.00 0.00 0.00 36.38 32.99 1nfq s VAL 194 CO 0.44 0.50 1.71 -2.16 0.00 0.00 0.00 175.10 175.59 1nfq s PRO 195 N -0.13 4.13 0.19 2.72 0.04 -1.26 -4.84 135.00 135.85 1nfq s PRO 195 Ca 0.12 2.59 0.09 0.00 0.04 0.00 0.00 61.00 63.83 1nfq s PRO 195 Cb -0.12 -3.09 0.50 0.00 0.04 0.00 0.00 34.50 31.83 1nfq s PRO 195 CO 0.01 -0.74 1.17 0.39 0.04 0.00 0.00 177.00 177.87 1nfq n GLU 196 N 4.01 0.06 -0.71 4.56 1.02 -1.26 -1.60 120.64 126.72 1nfq n GLU 196 Ca 0.16 0.49 0.02 0.00 -0.02 0.00 0.00 57.16 57.81 1nfq n GLU 196 Cb 0.35 -1.89 0.20 0.00 -0.02 0.00 0.00 31.44 30.08 1nfq n GLU 196 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1nfq n ASP 197 N -1.80 2.02 0.05 1.62 5.75 -1.26 -3.95 116.55 118.99 1nfq n ASP 197 Ca -0.01 -3.88 0.02 0.00 -0.01 0.00 0.00 54.79 50.91 1nfq n ASP 197 Cb 0.21 -0.54 0.36 0.00 -1.03 0.00 0.00 41.12 40.11 1nfq n ASP 197 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1nfq h ILE 198 N 1.06 1.17 -2.89 2.12 6.09 -1.67 -3.42 117.51 119.96 1nfq h ILE 198 Ca 0.06 -0.67 -0.63 0.00 -1.37 0.00 0.00 64.86 62.26 1nfq h ILE 198 Cb 1.15 0.98 -0.05 0.00 0.47 0.00 0.00 36.82 39.37 1nfq h ILE 198 CO 0.12 0.23 -0.42 -0.36 -3.07 0.00 0.00 178.15 174.64 1nfq s PHE 199 N -4.96 3.56 -0.28 2.19 2.99 -1.26 -5.05 117.98 115.16 1nfq s PHE 199 Ca -0.07 0.48 -0.29 0.00 0.00 0.00 0.00 56.93 57.06 1nfq s PHE 199 Cb 0.16 -1.93 0.01 0.00 0.00 0.00 0.00 43.02 41.26 1nfq s PHE 199 CO 0.74 0.61 1.04 -0.65 -0.00 0.00 0.00 175.22 176.96 1nfq s GLN 200 N -1.92 4.14 0.27 0.44 -0.21 -1.26 -4.98 119.66 116.13 1nfq s GLN 200 Ca 0.29 1.15 0.10 0.00 0.02 0.00 0.00 55.36 56.93 1nfq s GLN 200 Cb -0.13 -3.69 -0.05 0.00 1.00 0.00 0.00 33.01 30.14 1nfq s GLN 200 CO 0.18 -0.77 -0.17 0.95 -2.12 0.00 0.00 175.29 173.37 1nfq s THR 201 N 3.40 2.21 0.02 -0.19 -4.23 -1.26 -4.03 115.64 111.56 1nfq s THR 201 Ca 0.44 -2.32 0.10 0.00 -1.18 0.00 0.00 61.69 58.73 1nfq s THR 201 Cb -0.14 -2.28 -0.19 0.00 1.34 0.00 0.00 72.50 71.23 1nfq s THR 201 CO 0.11 -0.42 1.01 0.00 -0.54 0.00 0.00 174.62 174.78 1nfq h ALA 202 N 2.32 0.56 0.00 3.99 0.00 -0.99 -3.30 119.26 121.84 1nfq h ALA 202 Ca -0.40 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.42 1nfq h ALA 202 Cb 1.25 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1nfq h ALA 202 CO 0.62 1.32 -0.19 1.28 0.00 0.00 0.00 179.25 182.28 1nfq n LEU 203 N -3.19 0.74 -2.45 0.00 4.77 -1.10 -4.97 117.00 110.80 1nfq n LEU 203 Ca -0.07 0.46 -0.14 0.00 -0.03 0.00 0.00 56.01 56.23 1nfq n LEU 203 Cb 0.96 -0.29 0.05 0.00 -2.33 0.00 0.00 43.42 41.82 1nfq n LEU 203 CO 0.45 -0.13 0.14 0.61 -1.33 0.00 0.00 177.39 177.13 1nfq n GLY 204 N 1.33 0.00 3.60 -0.72 0.00 -1.25 -5.02 105.19 103.14 1nfq n GLY 204 Ca 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 1nfq n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1nfq s ARG 205 N -5.63 0.49 0.57 1.61 1.70 -1.26 -5.08 118.95 111.34 1nfq s ARG 205 Ca 0.30 -0.22 -0.06 0.00 -0.47 0.00 0.00 55.73 55.28 1nfq s ARG 205 Cb -0.13 0.20 0.00 0.00 -0.57 0.00 0.00 34.95 34.45 1nfq s ARG 205 CO 0.46 -0.22 0.88 0.00 -1.08 0.00 0.00 175.30 175.33 1nfq s ALA 206 N -2.61 3.33 0.27 7.88 0.00 -1.25 -4.96 121.76 124.42 1nfq s ALA 206 Ca 0.10 -0.68 -0.06 0.00 0.00 0.00 0.00 51.96 51.32 1nfq s ALA 206 Cb 0.01 -2.59 -0.06 0.00 0.00 0.00 0.00 23.12 20.48 1nfq s ALA 206 CO -0.04 -0.72 0.54 0.00 0.00 0.00 0.00 175.76 175.54 1nfq s ALA 207 N -2.94 3.62 0.08 0.00 0.00 -0.46 -4.95 121.76 117.11 1nfq s ALA 207 Ca 0.53 -0.49 -0.16 0.00 0.00 0.00 0.00 51.96 51.83 1nfq s ALA 207 Cb -0.10 -2.32 -0.07 0.00 0.00 0.00 0.00 23.12 20.63 1nfq s ALA 207 CO 0.45 0.33 0.52 -1.21 0.00 0.00 0.00 175.76 175.85 1nfq s GLU 208 N -3.33 4.06 0.48 0.00 0.41 -1.26 -1.89 118.70 117.17 1nfq s GLU 208 Ca 0.45 0.57 0.23 0.00 -0.41 0.00 0.00 54.97 55.81 1nfq s GLU 208 Cb -0.11 -3.13 1.27 0.00 -1.78 0.00 0.00 34.13 30.39 1nfq s GLU 208 CO 0.28 0.60 1.90 -1.00 -0.49 0.00 0.00 175.26 176.54 1nfq h PRO 209 N 4.23 0.19 0.00 0.39 0.13 -1.95 -0.48 132.00 134.50 1nfq h PRO 209 Ca -0.50 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 1nfq h PRO 209 Cb 1.21 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1nfq h PRO 209 CO 0.64 0.13 -0.11 -0.24 -0.23 0.00 0.00 178.00 178.19 1nfq h VAL 210 N 0.19 0.83 0.00 1.56 3.04 -1.94 -1.16 116.25 118.77 1nfq h VAL 210 Ca 0.40 -0.40 -0.04 0.00 -1.01 0.00 0.00 66.70 65.65 1nfq h VAL 210 Cb 1.28 1.23 -0.01 0.00 -2.01 0.00 0.00 31.29 31.78 1nfq h VAL 210 CO -0.08 0.10 -0.19 -0.33 -1.01 0.00 0.00 177.57 176.07 1nfq h GLU 211 N 0.00 0.00 0.08 4.17 5.08 -1.47 -0.12 114.58 122.31 1nfq h GLU 211 Ca -0.00 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 1nfq h GLU 211 Cb 0.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1nfq h GLU 211 CO 0.01 0.19 -1.67 0.28 -1.00 0.00 0.00 179.01 176.82 1nfq h VAL 212 N 0.00 0.96 -0.61 3.13 2.07 -1.35 -3.34 116.25 117.11 1nfq h VAL 212 Ca -0.00 -2.69 -0.01 0.00 0.82 0.00 0.00 66.70 64.82 1nfq h VAL 212 Cb 0.43 2.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.76 1nfq h VAL 212 CO 0.02 0.74 0.35 0.28 0.02 0.00 0.00 177.57 178.98 1nfq h SER 213 N 0.04 0.74 -0.67 0.57 0.02 -0.62 -1.71 113.55 111.93 1nfq h SER 213 Ca -0.29 -0.05 0.02 0.00 -0.84 0.00 0.00 61.79 60.64 1nfq h SER 213 Cb 2.01 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 64.32 1nfq h SER 213 CO 0.12 0.59 0.44 0.78 -1.14 0.00 0.00 176.83 177.62 1nfq h ASN 214 N 0.85 0.71 0.31 3.07 2.35 -1.16 0.05 115.58 121.76 1nfq h ASN 214 Ca 0.22 -0.01 -0.17 0.00 -0.55 0.00 0.00 56.30 55.79 1nfq h ASN 214 Cb 0.00 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 1nfq h ASN 214 CO -0.04 0.50 -0.69 0.25 -1.65 0.00 0.00 177.43 175.80 1nfq h LEU 215 N 0.83 0.41 -0.48 1.61 5.85 -1.48 -2.26 115.31 119.80 1nfq h LEU 215 Ca 0.26 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1nfq h LEU 215 Cb 0.01 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1nfq h LEU 215 CO -0.07 0.98 0.12 0.58 -0.34 0.00 0.00 178.44 179.71 1nfq h VAL 216 N 0.24 1.24 -0.50 1.05 2.07 -0.51 -1.45 116.25 118.38 1nfq h VAL 216 Ca -0.02 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 1nfq h VAL 216 Cb 1.25 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1nfq h VAL 216 CO 0.12 0.29 0.26 0.58 0.02 0.00 0.00 177.57 178.84 1nfq h VAL 217 N 0.65 1.18 -0.46 2.57 2.07 -0.97 -0.03 116.25 121.27 1nfq h VAL 217 Ca 0.15 -0.50 0.02 0.00 0.82 0.00 0.00 66.70 67.20 1nfq h VAL 217 Cb 0.31 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1nfq h VAL 217 CO 0.00 0.20 0.26 0.22 0.02 0.00 0.00 177.57 178.27 1nfq h TYR 218 N 0.67 0.49 0.00 1.57 3.20 -1.17 -0.18 116.97 121.55 1nfq h TYR 218 Ca 0.17 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.98 1nfq h TYR 218 Cb 0.09 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 1nfq h TYR 218 CO -0.01 0.27 -0.39 -0.07 -1.64 0.00 0.00 178.16 176.32 1nfq h LEU 219 N 0.52 0.00 -0.12 2.82 3.38 -1.02 -3.05 115.31 117.85 1nfq h LEU 219 Ca 0.19 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.95 1nfq h LEU 219 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1nfq h LEU 219 CO -0.10 0.39 -0.97 0.00 0.09 0.00 0.00 178.44 177.85 1nfq h ALA 220 N 1.61 0.41 -2.48 1.53 0.00 -0.50 -3.46 119.26 116.37 1nfq h ALA 220 Ca -0.00 -0.83 -0.46 0.00 0.00 0.00 0.00 54.91 53.61 1nfq h ALA 220 Cb 0.88 -0.11 0.13 0.00 0.00 0.00 0.00 17.79 18.69 1nfq h ALA 220 CO 0.05 1.09 0.30 -1.54 0.00 0.00 0.00 179.25 179.15 1nfq s SER 221 N -6.84 3.57 0.00 0.00 1.04 -0.12 -4.88 113.70 106.47 1nfq s SER 221 Ca -0.01 1.00 0.29 0.00 0.48 0.00 0.00 55.95 57.71 1nfq s SER 221 Cb 0.10 -1.59 1.53 0.00 0.10 0.00 0.00 66.02 66.16 1nfq s SER 221 CO 0.83 -2.52 2.00 0.47 0.98 0.00 0.00 173.24 175.00 1nfq n ASP 222 N -3.75 0.46 0.02 7.02 8.00 -1.26 -3.61 116.55 123.43 1nfq n ASP 222 Ca 0.07 -1.22 -0.01 0.00 0.71 0.00 0.00 54.79 54.34 1nfq n ASP 222 Cb 0.59 -0.01 0.28 0.00 -0.02 0.00 0.00 41.12 41.96 1nfq n ASP 222 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1nfq h GLU 223 N 0.70 0.47 -0.92 -1.24 5.08 -1.92 -2.53 114.58 114.23 1nfq h GLU 223 Ca 0.00 -0.13 -0.19 0.00 -1.00 0.00 0.00 59.36 58.04 1nfq h GLU 223 Cb 0.15 -0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.23 1nfq h GLU 223 CO 0.00 0.58 0.25 -1.13 -1.00 0.00 0.00 179.01 177.71 1nfq n SER 224 N -4.22 3.53 -0.18 1.42 3.41 -1.24 -4.68 113.62 111.66 1nfq n SER 224 Ca 0.01 -2.79 0.30 0.00 -0.26 0.00 0.00 58.87 56.13 1nfq n SER 224 Cb 0.30 -0.66 0.70 0.00 -0.26 0.00 0.00 64.21 64.28 1nfq n SER 224 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1nfq h SER 225 N 1.16 0.00 -0.56 4.04 4.64 -1.69 -1.53 113.55 119.61 1nfq h SER 225 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1nfq h SER 225 Cb 1.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.92 1nfq h SER 225 CO 0.51 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.47 1nfq n TYR 226 N -3.85 0.85 -3.86 4.77 9.36 -1.26 -4.91 117.16 118.26 1nfq n TYR 226 Ca 0.20 -0.53 -0.36 0.00 3.32 0.00 0.00 57.90 60.53 1nfq n TYR 226 Cb 1.12 -0.05 -0.12 0.00 -0.63 0.00 0.00 39.34 39.66 1nfq n TYR 226 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 1nfq s SER 227 N -1.03 5.07 -0.10 2.98 0.01 -0.58 -5.08 113.70 114.98 1nfq s SER 227 Ca 0.40 -0.18 -0.19 0.00 1.31 0.00 0.00 55.95 57.28 1nfq s SER 227 Cb 0.22 -1.90 0.04 0.00 0.21 0.00 0.00 66.02 64.59 1nfq s SER 227 CO 0.25 0.01 0.46 0.28 0.41 0.00 0.00 173.24 174.65 1nfq s THR 228 N 1.34 0.02 -0.84 1.44 -1.32 -1.26 -4.75 115.64 110.28 1nfq s THR 228 Ca 0.05 -0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.37 1nfq s THR 228 Cb -0.15 -0.71 0.00 0.00 -1.51 0.00 0.00 72.50 70.14 1nfq s THR 228 CO 0.03 -0.09 0.00 0.61 -2.21 0.00 0.00 174.62 172.96 1nfq n GLY 229 N 1.96 0.95 3.74 6.08 0.00 0.41 -4.95 105.19 113.38 1nfq n GLY 229 Ca -0.17 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 1nfq n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nfq s ALA 230 N -2.16 3.41 -0.24 4.61 0.00 -1.26 -4.65 121.76 121.47 1nfq s ALA 230 Ca 0.00 -1.43 -0.13 0.00 0.00 0.00 0.00 51.96 50.40 1nfq s ALA 230 Cb 0.00 -1.12 -0.05 0.00 0.00 0.00 0.00 23.12 21.95 1nfq s ALA 230 CO 0.00 0.34 0.25 -1.21 0.00 0.00 0.00 175.76 175.14 1nfq s GLU 231 N -3.51 4.08 -0.31 0.00 2.02 -1.26 -1.53 118.70 118.19 1nfq s GLU 231 Ca 0.31 -0.11 -0.06 0.00 0.02 0.00 0.00 54.97 55.14 1nfq s GLU 231 Cb -0.08 -3.57 0.03 0.00 0.10 0.00 0.00 34.13 30.61 1nfq s GLU 231 CO 0.22 -0.03 0.07 -0.06 0.02 0.00 0.00 175.26 175.48 1nfq s PHE 232 N 1.32 3.19 -0.14 1.61 0.40 0.20 -4.99 117.98 119.56 1nfq s PHE 232 Ca 0.11 -1.30 -0.16 0.00 -0.60 0.00 0.00 56.93 54.99 1nfq s PHE 232 Cb -0.14 -2.23 -0.04 0.00 0.51 0.00 0.00 43.02 41.11 1nfq s PHE 232 CO 0.07 -0.68 0.39 0.08 0.70 0.00 0.00 175.22 175.79 1nfq s VAL 233 N 1.42 5.24 -0.46 -0.44 1.01 -1.26 -0.44 120.40 125.47 1nfq s VAL 233 Ca -0.00 0.76 0.06 0.00 0.00 0.00 0.00 61.98 62.80 1nfq s VAL 233 Cb -0.18 -3.73 0.21 0.00 0.00 0.00 0.00 36.38 32.67 1nfq s VAL 233 CO 0.02 0.35 0.47 0.55 0.00 0.00 0.00 175.10 176.48 1nfq n VAL 234 N 3.69 -0.30 -0.98 2.92 3.14 -0.80 -4.93 118.33 121.07 1nfq n VAL 234 Ca -0.09 -4.01 0.05 0.00 -2.96 0.00 0.00 64.34 57.33 1nfq n VAL 234 Cb 0.52 -1.88 0.07 0.00 -1.06 0.00 0.00 33.84 31.49 1nfq n VAL 234 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1nfq n ASP 235 N 1.98 1.61 -0.74 6.55 5.75 -1.26 -2.16 116.55 128.28 1nfq n ASP 235 Ca 0.25 -2.43 -0.10 0.00 -0.01 0.00 0.00 54.79 52.51 1nfq n ASP 235 Cb 0.48 -0.24 -0.04 0.00 -1.03 0.00 0.00 41.12 40.28 1nfq n ASP 235 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nfq n GLY 236 N -0.81 1.01 0.16 6.12 0.00 -1.26 -2.92 105.19 107.49 1nfq n GLY 236 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1nfq n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nfq n GLY 237 N -0.51 0.60 0.45 -0.02 0.00 -1.26 -0.43 105.19 104.02 1nfq n GLY 237 Ca -0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.76 1nfq n GLY 237 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1nfq h THR 238 N 0.00 0.10 0.00 2.61 2.02 -1.67 -2.50 112.91 113.48 1nfq h THR 238 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1nfq h THR 238 Cb 0.00 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 1nfq h THR 238 CO 0.00 0.00 0.00 1.33 0.37 0.00 0.00 175.52 177.22 1nfq n VAL 239 N -5.50 0.24 0.49 3.16 0.24 -1.26 -2.70 118.33 113.01 1nfq n VAL 239 Ca -0.09 0.06 0.13 0.00 -2.04 0.00 0.00 64.34 62.39 1nfq n VAL 239 Cb 0.41 -0.71 0.29 0.00 -1.47 0.00 0.00 33.84 32.35 1nfq n VAL 239 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nfq h ALA 240 N 3.11 0.89 -1.94 2.33 0.00 -1.86 -3.46 119.26 118.33 1nfq h ALA 240 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.30 1nfq h ALA 240 Cb 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.80 1nfq h ALA 240 CO 0.00 0.00 -0.66 0.20 0.00 0.00 0.00 179.25 178.79 1nfq s GLY 241 N -3.78 2.13 0.24 0.00 0.00 -1.10 -5.13 107.32 99.69 1nfq s GLY 241 Ca 0.08 -2.03 -0.16 0.00 0.00 0.00 0.00 44.72 42.61 1nfq s GLY 241 CO 0.65 -1.98 0.69 1.08 0.00 0.00 0.00 173.10 173.54 1nfq s LEU 242 N -3.65 4.23 -0.28 0.66 1.43 -1.26 -5.01 118.68 114.80 1nfq s LEU 242 Ca 0.33 1.28 -0.29 0.00 -1.03 0.00 0.00 54.13 54.43 1nfq s LEU 242 Cb 0.01 -3.71 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 1nfq s LEU 242 CO 0.18 -0.05 1.56 0.00 0.23 0.00 0.00 176.35 178.27 1nfq s ALA 243 N -1.69 3.18 0.44 4.21 0.00 -1.26 -5.00 121.76 121.64 1nfq s ALA 243 Ca 0.46 0.27 0.07 0.00 0.00 0.00 0.00 51.96 52.76 1nfq s ALA 243 Cb -0.14 -3.88 -0.02 0.00 0.00 0.00 0.00 23.12 19.08 1nfq s ALA 243 CO 0.19 -2.11 0.30 -1.01 0.00 0.00 0.00 175.76 173.14 1nfq s HIS 244 N 5.38 2.48 -0.47 0.00 3.76 -1.26 -5.27 115.29 119.92 1nfq s HIS 244 Ca 0.69 -0.59 0.04 0.00 -0.15 0.00 0.00 55.06 55.04 1nfq s HIS 244 Cb -0.21 -2.04 0.03 0.00 1.11 0.00 0.00 32.58 31.46 1nfq s HIS 244 CO 0.29 -0.06 0.62 0.09 -0.85 0.00 0.00 174.74 174.83