#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 1.46 0.10 5.00 0.00 -1.13 -4.99 105.19 105.62 1nfq n GLY 3 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1nfq n GLY 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nfq n ARG 4 N -1.18 0.25 -0.08 1.61 1.74 -0.84 -3.46 116.66 114.68 1nfq n ARG 4 Ca 0.00 0.20 0.04 0.00 -0.77 0.00 0.00 57.85 57.32 1nfq n ARG 4 Cb 0.00 -1.78 0.05 0.00 -1.02 0.00 0.00 32.46 29.71 1nfq n ARG 4 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1nfq n LEU 5 N -2.21 1.68 -4.68 0.55 4.77 0.46 -4.74 117.00 112.84 1nfq n LEU 5 Ca 0.06 -2.09 -0.47 0.00 -0.03 0.00 0.00 56.01 53.48 1nfq n LEU 5 Cb 0.43 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.30 1nfq n LEU 5 CO 0.30 0.50 1.37 0.41 -1.33 0.00 0.00 177.39 178.64 1nfq n THR 6 N -0.75 0.33 -0.09 -5.08 -1.04 -1.11 -1.01 114.28 105.52 1nfq n THR 6 Ca 0.06 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1nfq n THR 6 Cb 0.48 -1.77 0.00 0.00 -1.82 0.00 0.00 70.33 67.23 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 3.99 0.71 3.86 3.41 0.00 -1.24 -4.99 105.19 110.92 1nfq n GLY 7 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.75 3.70 -0.13 1.61 -0.14 -0.18 -5.01 119.74 118.83 1nfq s LYS 8 Ca 0.00 0.13 0.01 0.00 -1.36 0.00 0.00 55.97 54.75 1nfq s LYS 8 Cb 0.00 -3.15 -0.01 0.00 -1.68 0.00 0.00 37.83 32.99 1nfq s LYS 8 CO 0.00 0.68 -0.15 0.08 -0.76 0.00 0.00 175.35 175.20 1nfq s VAL 9 N -1.16 2.80 0.10 3.17 1.01 -1.26 -1.37 120.40 123.68 1nfq s VAL 9 Ca 0.24 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.56 1nfq s VAL 9 Cb -0.14 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1nfq s VAL 9 CO 0.12 0.53 -0.22 0.00 0.00 0.00 0.00 175.10 175.52 1nfq s ALA 10 N 0.49 1.94 -0.16 5.51 0.00 0.31 -0.98 121.76 128.88 1nfq s ALA 10 Ca -0.10 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 50.58 1nfq s ALA 10 Cb -0.16 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.68 1nfq s ALA 10 CO 0.05 0.41 -0.19 -1.17 0.00 0.00 0.00 175.76 174.85 1nfq s LEU 11 N -1.87 2.22 -0.15 0.00 2.96 0.53 -0.24 118.68 122.12 1nfq s LEU 11 Ca 0.08 -0.59 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 1nfq s LEU 11 Cb -0.10 -1.49 0.02 0.00 0.50 0.00 0.00 46.19 45.11 1nfq s LEU 11 CO 0.04 0.04 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.23 1nfq s VAL 12 N 1.05 1.94 0.18 1.68 1.01 -0.36 -0.77 120.40 125.13 1nfq s VAL 12 Ca -0.01 -0.89 -0.15 0.00 0.00 0.00 0.00 61.98 60.93 1nfq s VAL 12 Cb -0.14 -1.75 -0.07 0.00 0.00 0.00 0.00 36.38 34.41 1nfq s VAL 12 CO -0.06 0.52 0.59 -0.94 0.00 0.00 0.00 175.10 175.21 1nfq s SER 13 N 1.11 6.85 -1.13 3.32 1.04 -0.95 -1.20 113.70 122.74 1nfq s SER 13 Ca -0.01 1.14 -0.07 0.00 0.48 0.00 0.00 55.95 57.49 1nfq s SER 13 Cb -0.14 -2.31 0.01 0.00 0.10 0.00 0.00 66.02 63.67 1nfq s SER 13 CO -0.07 0.06 0.99 0.61 0.98 0.00 0.00 173.24 175.80 1nfq n GLY 14 N 0.65 -0.30 1.07 7.32 0.00 0.74 -2.16 105.19 112.52 1nfq n GLY 14 Ca -0.04 0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.17 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 1.67 0.20 -0.02 0.00 -0.87 -4.08 105.19 100.33 1nfq n GLY 15 Ca 0.01 -0.60 0.09 0.00 0.00 0.00 0.00 46.02 45.52 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 3.93 0.90 -3.12 4.61 0.00 -1.88 -3.08 119.26 120.62 1nfq h ALA 16 Ca 0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1nfq h ALA 16 Cb 0.83 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1nfq h ALA 16 CO 0.05 0.25 0.21 2.89 0.00 0.00 0.00 179.25 182.65 1nfq n ARG 17 N -3.19 1.06 0.00 0.00 1.85 -1.26 -4.65 116.66 110.47 1nfq n ARG 17 Ca 0.02 -2.28 0.00 0.00 -1.00 0.00 0.00 57.85 54.60 1nfq n ARG 17 Cb 0.55 2.73 0.00 0.00 -1.05 0.00 0.00 32.46 34.69 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 1.98 0.35 2.89 0.00 -1.26 -2.42 105.19 106.19 1nfq n GLY 18 Ca -0.07 -0.47 -0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 1.01 -0.42 1.61 2.86 -1.92 -2.44 114.93 115.62 1nfq h MET 19 Ca 0.00 -0.07 0.05 0.00 -2.06 0.00 0.00 59.70 57.62 1nfq h MET 19 Cb 0.00 -0.22 -0.05 0.00 0.06 0.00 0.00 31.60 31.39 1nfq h MET 19 CO 0.00 0.68 0.14 0.78 1.06 0.00 0.00 176.91 179.57 1nfq h GLY 20 N 1.04 0.53 0.99 8.32 0.00 -1.67 0.18 103.07 112.46 1nfq h GLY 20 Ca 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 1nfq h GLY 20 CO -0.06 0.01 0.31 0.00 0.00 0.00 0.00 176.54 176.81 1nfq h ALA 21 N 1.28 0.73 -0.95 3.60 0.00 -1.12 -1.79 119.26 121.02 1nfq h ALA 21 Ca 0.20 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1nfq h ALA 21 Cb 0.20 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1nfq h ALA 21 CO -0.21 0.25 0.63 1.03 0.00 0.00 0.00 179.25 180.95 1nfq h SER 22 N 0.77 1.08 -0.56 0.00 0.87 -0.87 -1.76 113.55 113.08 1nfq h SER 22 Ca 0.20 -0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.67 1nfq h SER 22 Cb 0.05 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 1nfq h SER 22 CO -0.03 0.78 0.10 0.45 -0.53 0.00 0.00 176.83 177.60 1nfq h HIS 23 N 1.28 0.97 0.05 2.24 3.86 -0.07 -0.66 115.15 122.82 1nfq h HIS 23 Ca 0.35 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 1nfq h HIS 23 Cb -0.13 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.07 1nfq h HIS 23 CO -0.00 0.85 -0.07 0.28 0.86 0.00 0.00 177.93 179.85 1nfq h VAL 24 N 0.81 0.84 -0.61 2.45 2.07 -0.85 -0.39 116.25 120.57 1nfq h VAL 24 Ca 0.17 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 1nfq h VAL 24 Cb 0.39 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1nfq h VAL 24 CO 0.01 0.00 0.36 0.03 0.02 0.00 0.00 177.57 177.99 1nfq h ARG 25 N -0.14 0.83 -0.70 1.57 3.08 -1.21 -1.58 114.38 116.23 1nfq h ARG 25 Ca 0.01 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 1nfq h ARG 25 Cb 0.14 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 1nfq h ARG 25 CO -0.03 0.60 0.22 0.00 -1.07 0.00 0.00 179.97 179.69 1nfq h ALA 26 N 1.18 0.92 -0.10 0.04 0.00 -0.90 -1.74 119.26 118.65 1nfq h ALA 26 Ca 0.22 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1nfq h ALA 26 Cb -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1nfq h ALA 26 CO -0.04 0.59 -0.58 0.52 0.00 0.00 0.00 179.25 179.74 1nfq h MET 27 N 1.03 0.33 -0.45 0.00 2.86 -0.87 -2.84 114.93 114.98 1nfq h MET 27 Ca 0.23 -0.22 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 1nfq h MET 27 Cb 0.30 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 1nfq h MET 27 CO -0.01 0.82 -0.13 0.28 1.06 0.00 0.00 176.91 178.94 1nfq h VAL 28 N 0.25 1.27 0.00 -2.22 2.07 -1.14 -1.31 116.25 115.17 1nfq h VAL 28 Ca -0.00 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 1nfq h VAL 28 Cb 1.09 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1nfq h VAL 28 CO 0.10 0.43 -0.01 0.00 0.02 0.00 0.00 177.57 178.11 1nfq h ALA 29 N 0.87 1.07 -0.66 1.67 0.00 -1.20 -0.68 119.26 120.33 1nfq h ALA 29 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nfq h ALA 29 Cb 0.67 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1nfq h ALA 29 CO 0.05 0.01 0.00 0.39 0.00 0.00 0.00 179.25 179.70 1nfq n GLU 30 N -3.19 3.10 -0.40 0.00 -0.58 -0.90 -4.44 120.64 114.22 1nfq n GLU 30 Ca -0.02 -2.60 0.00 0.00 -0.42 0.00 0.00 57.16 54.11 1nfq n GLU 30 Cb 0.12 -1.70 0.00 0.00 -0.57 0.00 0.00 31.44 29.29 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 1.36 0.80 3.91 0.62 0.00 -0.26 -0.40 105.19 111.22 1nfq n GLY 31 Ca 0.24 0.00 -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 -2.02 3.61 -0.21 4.61 0.00 -0.55 -3.67 121.76 123.54 1nfq s ALA 32 Ca 0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 51.96 51.22 1nfq s ALA 32 Cb 0.00 -2.30 -0.05 0.00 0.00 0.00 0.00 23.12 20.78 1nfq s ALA 32 CO 0.00 0.08 0.13 0.15 0.00 0.00 0.00 175.76 176.12 1nfq s LYS 33 N -3.94 4.14 -0.07 0.00 -0.14 -0.47 -4.30 119.74 114.96 1nfq s LYS 33 Ca 0.43 -0.24 0.04 0.00 -1.36 0.00 0.00 55.97 54.84 1nfq s LYS 33 Cb -0.10 -3.42 0.00 0.00 -1.68 0.00 0.00 37.83 32.63 1nfq s LYS 33 CO 0.34 0.25 -0.20 0.08 -0.76 0.00 0.00 175.35 175.06 1nfq s VAL 34 N 0.49 1.69 -0.25 3.17 1.01 0.96 -0.53 120.40 126.94 1nfq s VAL 34 Ca 0.07 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 1nfq s VAL 34 Cb -0.12 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 1nfq s VAL 34 CO -0.01 0.48 0.01 -0.69 0.00 0.00 0.00 175.10 174.89 1nfq s VAL 35 N 0.25 3.72 -0.02 2.92 1.01 0.67 -1.15 120.40 127.80 1nfq s VAL 35 Ca -0.11 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.45 1nfq s VAL 35 Cb -0.15 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.44 1nfq s VAL 35 CO 0.05 0.31 -0.24 0.72 0.00 0.00 0.00 175.10 175.94 1nfq s PHE 36 N 1.51 2.14 0.24 5.22 -0.12 -0.51 -1.23 117.98 125.23 1nfq s PHE 36 Ca 0.05 -0.41 0.10 0.00 -0.05 0.00 0.00 56.93 56.62 1nfq s PHE 36 Cb -0.15 -1.38 -0.05 0.00 -0.63 0.00 0.00 43.02 40.81 1nfq s PHE 36 CO -0.00 -0.04 -0.18 0.20 -0.05 0.00 0.00 175.22 175.15 1nfq s GLY 37 N -0.55 1.66 0.02 1.99 0.00 -0.34 -1.93 107.32 108.18 1nfq s GLY 37 Ca 0.09 -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 0.16 1.34 0.00 0.00 0.00 173.10 172.74 1nfq n ASP 38 N -0.46 -0.24 -0.12 1.64 -0.08 -1.17 -0.18 116.55 115.94 1nfq n ASP 38 Ca -0.07 -1.12 0.02 0.00 -1.51 0.00 0.00 54.79 52.11 1nfq n ASP 38 Cb 0.60 0.39 0.01 0.00 2.34 0.00 0.00 41.12 44.46 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 -0.11 0.00 -3.13 5.18 -5.35 -1.26 -0.12 119.36 114.57 1nfq n ILE 39 Ca -0.00 -0.49 -0.44 0.00 -0.27 0.00 0.00 62.75 61.55 1nfq n ILE 39 Cb 0.09 1.06 0.00 0.00 -1.74 0.00 0.00 39.64 39.05 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 -0.04 5.95 -0.31 7.28 4.77 -1.26 -4.89 117.00 128.50 1nfq n LEU 40 Ca 0.02 -5.06 0.07 0.00 -0.03 0.00 0.00 56.01 51.01 1nfq n LEU 40 Cb 0.08 -1.40 0.28 0.00 -2.33 0.00 0.00 43.42 40.05 1nfq n LEU 40 CO 0.03 1.46 1.24 0.44 -1.33 0.00 0.00 177.39 179.23 1nfq h ASP 41 N 6.12 0.84 0.64 -1.43 3.32 -1.97 -0.80 116.42 123.14 1nfq h ASP 41 Ca 0.21 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 1nfq h ASP 41 Cb 0.75 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1nfq h ASP 41 CO 1.19 0.48 -0.34 -0.33 -1.72 0.00 0.00 179.24 178.53 1nfq h GLU 42 N 0.93 -0.87 -0.74 3.56 3.07 -1.99 -0.14 114.58 118.39 1nfq h GLU 42 Ca 0.44 0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 59.33 1nfq h GLU 42 Cb 0.44 0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.51 1nfq h GLU 42 CO -0.20 -0.58 0.35 0.93 -1.40 0.00 0.00 179.01 178.10 1nfq h GLU 43 N -0.90 1.05 0.09 2.33 3.07 -1.89 -1.59 114.58 116.73 1nfq h GLU 43 Ca -0.08 -0.15 -0.00 0.00 -0.50 0.00 0.00 59.36 58.62 1nfq h GLU 43 Cb 0.71 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 1nfq h GLU 43 CO 0.12 0.82 -0.04 0.78 -1.40 0.00 0.00 179.01 179.28 1nfq h GLY 44 N 1.10 -0.12 1.91 -3.84 0.00 -0.92 -2.30 103.07 98.89 1nfq h GLY 44 Ca 0.25 0.05 -0.07 0.00 0.00 0.00 0.00 47.33 47.56 1nfq h GLY 44 CO -0.03 -0.04 -0.29 0.50 0.00 0.00 0.00 176.54 176.67 1nfq h LYS 45 N -0.15 0.11 0.62 4.80 1.57 -0.91 -1.83 116.57 120.78 1nfq h LYS 45 Ca -0.01 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1nfq h LYS 45 Cb 0.12 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1nfq h LYS 45 CO 0.02 0.40 -0.33 0.00 -0.57 0.00 0.00 179.45 178.97 1nfq h ALA 46 N 1.61 -0.89 0.00 3.86 0.00 -0.92 -2.66 119.26 120.26 1nfq h ALA 46 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1nfq h ALA 46 Cb 0.57 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1nfq h ALA 46 CO 0.04 -1.01 0.00 0.00 0.00 0.00 0.00 179.25 178.29 1nfq n MET 47 N -5.48 0.20 0.24 0.00 0.00 -0.90 -2.02 117.12 109.17 1nfq n MET 47 Ca -0.13 0.26 0.13 0.00 0.00 0.00 0.00 57.70 57.96 1nfq n MET 47 Cb 0.37 -1.78 0.56 0.00 0.00 0.00 0.00 33.22 32.36 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 2.48 1.04 -0.02 3.17 0.00 -1.06 -2.99 119.26 121.88 1nfq h ALA 48 Ca 0.00 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.60 1nfq h ALA 48 Cb 0.57 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1nfq h ALA 48 CO 0.00 0.18 -0.68 0.00 0.00 0.00 0.00 179.25 178.75 1nfq h ALA 49 N 1.85 0.11 0.00 0.00 0.00 -1.07 -3.19 119.26 116.96 1nfq h ALA 49 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1nfq h ALA 49 Cb 0.63 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1nfq h ALA 49 CO 0.02 0.44 0.00 -0.85 0.00 0.00 0.00 179.25 178.86 1nfq n GLU 50 N -4.14 0.11 0.01 0.00 0.28 -1.14 -3.14 120.64 112.62 1nfq n GLU 50 Ca -0.10 0.22 0.11 0.00 -0.16 0.00 0.00 57.16 57.23 1nfq n GLU 50 Cb 0.71 -1.67 -0.06 0.00 1.43 0.00 0.00 31.44 31.85 1nfq n GLU 50 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1nfq n LEU 51 N -1.87 0.67 0.00 -1.84 4.77 -1.18 -5.05 117.00 112.49 1nfq n LEU 51 Ca 0.05 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1nfq n LEU 51 Cb 0.29 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1nfq n LEU 51 CO 0.23 0.14 0.00 0.00 -1.33 0.00 0.00 177.39 176.42 1nfq n ALA 52 N -1.74 0.00 -0.96 -1.18 0.00 -1.19 -3.11 120.51 112.33 1nfq n ALA 52 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.48 1nfq n ALA 52 Cb 0.41 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.23 1nfq n ALA 52 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nfq n ASP 53 N 8.45 5.45 -0.04 0.00 8.00 -1.26 -3.98 116.55 133.17 1nfq n ASP 53 Ca 0.00 -3.05 0.04 0.00 0.71 0.00 0.00 54.79 52.49 1nfq n ASP 53 Cb 0.00 -0.71 -0.16 0.00 -0.02 0.00 0.00 41.12 40.23 1nfq n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nfq n ALA 54 N 0.34 2.37 -2.93 2.24 0.00 -1.18 -4.94 120.51 116.42 1nfq n ALA 54 Ca 0.33 -0.73 -0.24 0.00 0.00 0.00 0.00 53.44 52.79 1nfq n ALA 54 Cb 1.29 -0.53 -0.16 0.00 0.00 0.00 0.00 19.45 20.04 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 -3.13 1.34 -0.07 0.00 0.00 -1.26 -0.03 121.76 118.62 1nfq s ALA 55 Ca -0.08 -0.59 0.04 0.00 0.00 0.00 0.00 51.96 51.32 1nfq s ALA 55 Cb 0.11 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.78 1nfq s ALA 55 CO 0.84 0.24 -0.18 1.03 0.00 0.00 0.00 175.76 177.68 1nfq s ARG 56 N 0.07 2.26 -0.08 0.00 1.81 -0.30 -4.74 118.95 117.97 1nfq s ARG 56 Ca -0.03 -0.65 -0.05 0.00 -1.72 0.00 0.00 55.73 53.27 1nfq s ARG 56 Cb -0.11 -1.81 -0.04 0.00 -0.45 0.00 0.00 34.95 32.55 1nfq s ARG 56 CO 0.02 0.15 0.15 -0.47 -0.68 0.00 0.00 175.30 174.47 1nfq s TYR 57 N 0.37 3.57 0.01 -0.53 5.04 -1.26 -1.42 117.35 123.13 1nfq s TYR 57 Ca -0.13 0.45 -0.02 0.00 -2.44 0.00 0.00 57.07 54.93 1nfq s TYR 57 Cb -0.16 -1.89 -0.01 0.00 0.35 0.00 0.00 41.96 40.25 1nfq s TYR 57 CO 0.05 0.70 0.02 0.14 -1.34 0.00 0.00 175.55 175.12 1nfq s VAL 58 N -1.14 0.09 -0.01 3.14 -7.23 -0.81 -4.96 120.40 109.48 1nfq s VAL 58 Ca 0.20 -0.77 -0.30 0.00 -1.81 0.00 0.00 61.98 59.30 1nfq s VAL 58 Cb -0.12 -0.29 -0.04 0.00 0.56 0.00 0.00 36.38 36.49 1nfq s VAL 58 CO 0.10 -0.42 1.11 -2.28 -0.31 0.00 0.00 175.10 173.30 1nfq s HIS 59 N -1.31 3.44 -0.20 2.82 2.46 -1.26 -3.04 115.29 118.21 1nfq s HIS 59 Ca -0.14 1.42 -0.04 0.00 0.47 0.00 0.00 55.06 56.77 1nfq s HIS 59 Cb -0.09 -3.31 0.09 0.00 -0.13 0.00 0.00 32.58 29.15 1nfq s HIS 59 CO -0.00 -0.81 0.24 -1.17 -2.47 0.00 0.00 174.74 170.53 1nfq s LEU 60 N 1.50 -0.20 -0.45 8.88 2.96 0.83 -4.81 118.68 127.39 1nfq s LEU 60 Ca 0.55 -0.05 -0.16 0.00 -0.22 0.00 0.00 54.13 54.24 1nfq s LEU 60 Cb -0.24 0.51 0.05 0.00 0.50 0.00 0.00 46.19 47.00 1nfq s LEU 60 CO 0.25 -0.31 0.42 -0.62 -1.32 0.00 0.00 176.35 174.77 1nfq s ASP 61 N 2.36 6.16 0.09 3.68 -1.08 -1.26 -3.72 116.67 122.90 1nfq s ASP 61 Ca 0.07 -1.01 0.04 0.00 -0.52 0.00 0.00 52.55 51.13 1nfq s ASP 61 Cb -0.15 -2.20 0.22 0.00 -1.46 0.00 0.00 42.92 39.33 1nfq s ASP 61 CO -0.12 -0.62 1.00 1.33 0.52 0.00 0.00 175.17 177.27 1nfq n VAL 62 N 5.31 1.22 1.21 1.11 0.24 -1.26 -0.72 118.33 125.44 1nfq n VAL 62 Ca -0.10 0.57 0.13 0.00 -2.04 0.00 0.00 64.34 62.89 1nfq n VAL 62 Cb 0.46 -1.57 0.34 0.00 -1.47 0.00 0.00 33.84 31.60 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 -1.55 0.00 -3.63 3.34 -2.24 -1.26 -4.30 114.28 104.63 1nfq n THR 63 Ca -0.00 -0.12 -0.40 0.00 -2.27 0.00 0.00 64.05 61.26 1nfq n THR 63 Cb 0.17 0.44 -0.10 0.00 -2.10 0.00 0.00 70.33 68.74 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 -2.54 2.50 0.47 -0.78 -1.52 0.10 -4.98 119.66 112.91 1nfq s GLN 64 Ca 0.23 -1.54 0.21 0.00 -1.95 0.00 0.00 55.36 52.30 1nfq s GLN 64 Cb 0.19 -3.75 1.21 0.00 -0.22 0.00 0.00 33.01 30.44 1nfq s GLN 64 CO 0.54 -0.99 1.93 -1.00 -0.25 0.00 0.00 175.29 175.51 1nfq h PRO 65 N 8.35 0.23 -0.60 2.91 0.13 -1.85 -1.36 132.00 139.81 1nfq h PRO 65 Ca -0.21 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.84 1nfq h PRO 65 Cb 1.08 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 32.13 1nfq h PRO 65 CO 0.76 0.15 0.11 0.00 -0.23 0.00 0.00 178.00 178.79 1nfq h ALA 66 N 1.65 1.06 -0.13 -0.56 0.00 -1.94 -2.09 119.26 117.25 1nfq h ALA 66 Ca 0.36 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1nfq h ALA 66 Cb 1.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1nfq h ALA 66 CO -0.08 0.61 -0.46 1.96 0.00 0.00 0.00 179.25 181.28 1nfq h GLN 67 N 0.90 0.31 -0.47 0.00 4.20 -1.58 -2.21 115.11 116.27 1nfq h GLN 67 Ca 0.19 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 1nfq h GLN 67 Cb 0.38 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 1nfq h GLN 67 CO 0.01 0.71 0.18 -1.49 -0.67 0.00 0.00 178.83 177.57 1nfq h TRP 68 N 0.26 0.73 -0.83 2.96 4.06 -1.15 -0.65 115.95 121.32 1nfq h TRP 68 Ca 0.02 -0.06 -0.00 0.00 2.06 0.00 0.00 58.89 60.91 1nfq h TRP 68 Cb 0.91 -0.22 -0.04 0.00 -1.00 0.00 0.00 29.16 28.81 1nfq h TRP 68 CO 0.02 0.62 0.51 -0.22 -3.56 0.00 0.00 178.44 175.81 1nfq h LYS 69 N 0.62 1.12 -0.76 0.49 3.64 -1.17 -0.58 116.57 119.94 1nfq h LYS 69 Ca 0.16 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1nfq h LYS 69 Cb 0.21 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1nfq h LYS 69 CO -0.01 0.78 0.30 0.00 -2.27 0.00 0.00 179.45 178.25 1nfq h ALA 70 N 1.27 0.98 -0.54 5.00 0.00 -1.05 -0.08 119.26 124.85 1nfq h ALA 70 Ca 0.30 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1nfq h ALA 70 Cb -0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1nfq h ALA 70 CO -0.06 0.61 0.19 0.00 0.00 0.00 0.00 179.25 179.99 1nfq h ALA 71 N 1.15 0.70 -0.41 0.00 0.00 -0.42 -1.31 119.26 118.97 1nfq h ALA 71 Ca 0.25 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1nfq h ALA 71 Cb 0.22 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1nfq h ALA 71 CO -0.02 0.34 0.02 0.28 0.00 0.00 0.00 179.25 179.87 1nfq h VAL 72 N 0.74 1.26 -0.88 0.00 2.07 -0.82 -2.42 116.25 116.18 1nfq h VAL 72 Ca 0.18 -0.97 0.01 0.00 0.82 0.00 0.00 66.70 66.73 1nfq h VAL 72 Cb 0.24 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1nfq h VAL 72 CO -0.01 0.33 0.58 0.44 0.02 0.00 0.00 177.57 178.93 1nfq h ASP 73 N 0.54 1.02 -0.13 0.57 3.32 -0.82 -1.10 116.42 119.82 1nfq h ASP 73 Ca 0.12 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1nfq h ASP 73 Cb 0.45 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1nfq h ASP 73 CO 0.02 0.74 0.08 0.74 -1.72 0.00 0.00 179.24 179.10 1nfq h THR 74 N 1.20 1.05 0.01 0.35 2.02 -1.03 -0.53 112.91 115.98 1nfq h THR 74 Ca 0.32 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 67.41 1nfq h THR 74 Cb -0.13 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1nfq h THR 74 CO -0.07 0.04 -0.04 0.00 0.37 0.00 0.00 175.52 175.82 1nfq h ALA 75 N 1.03 -0.05 -0.25 6.16 0.00 -0.92 0.50 119.26 125.72 1nfq h ALA 75 Ca 0.05 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1nfq h ALA 75 Cb -0.00 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1nfq h ALA 75 CO -0.01 -0.54 0.13 0.28 0.00 0.00 0.00 179.25 179.10 1nfq h VAL 76 N -0.08 1.14 -0.01 0.00 2.07 -1.09 0.18 116.25 118.47 1nfq h VAL 76 Ca 0.01 -0.40 -0.24 0.00 0.82 0.00 0.00 66.70 66.89 1nfq h VAL 76 Cb 0.09 0.94 0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1nfq h VAL 76 CO -0.03 0.14 -0.97 0.71 0.02 0.00 0.00 177.57 177.44 1nfq h THR 77 N 0.28 1.34 -0.00 2.57 1.35 -1.06 0.12 112.91 117.51 1nfq h THR 77 Ca 0.09 -2.32 -0.22 0.00 -0.55 0.00 0.00 66.41 63.40 1nfq h THR 77 Cb 0.11 2.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 1nfq h THR 77 CO -0.01 0.71 -0.93 0.00 -0.25 0.00 0.00 175.52 175.04 1nfq h ALA 78 N 0.60 0.38 -0.00 6.62 0.00 -0.90 -3.38 119.26 122.58 1nfq h ALA 78 Ca -0.10 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.11 1nfq h ALA 78 Cb 1.61 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1nfq h ALA 78 CO 0.18 0.82 -0.00 1.19 0.00 0.00 0.00 179.25 181.44 1nfq n PHE 79 N -3.74 0.00 -0.08 0.00 0.99 0.05 -5.03 117.46 109.64 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 0.17 1.06 0.00 1.37 0.00 0.42 -4.98 105.19 103.22 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 -1.48 3.01 -0.02 0.00 -1.21 -4.93 105.19 98.56 1nfq n GLY 81 Ca 0.00 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.31 -0.00 0.99 2.96 -1.26 -4.05 118.68 117.00 1nfq s LEU 82 Ca 0.00 0.58 0.01 0.00 -0.22 0.00 0.00 54.13 54.50 1nfq s LEU 82 Cb 0.00 0.72 -0.02 0.00 0.50 0.00 0.00 46.19 47.39 1nfq s LEU 82 CO 0.00 -0.24 0.03 1.41 -1.32 0.00 0.00 176.35 176.23 1nfq n HIS 83 N 5.35 0.00 -4.32 5.38 8.25 -0.15 -4.27 115.22 125.46 1nfq n HIS 83 Ca -0.06 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.21 1nfq n HIS 83 Cb 0.50 -0.04 -0.15 0.00 1.12 0.00 0.00 29.99 31.41 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 -2.09 0.67 -0.09 1.59 1.01 -0.60 -0.96 120.40 119.93 1nfq s VAL 84 Ca -0.01 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1nfq s VAL 84 Cb 0.01 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.81 1nfq s VAL 84 CO 0.06 0.21 -0.13 -0.22 0.00 0.00 0.00 175.10 175.02 1nfq s LEU 85 N 0.11 1.62 -0.37 3.92 2.96 -0.68 -0.35 118.68 125.90 1nfq s LEU 85 Ca -0.01 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 1nfq s LEU 85 Cb -0.07 -0.95 0.11 0.00 0.50 0.00 0.00 46.19 45.78 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 0.93 2.71 -1.18 1.68 1.01 0.05 -0.27 120.40 125.33 1nfq s VAL 86 Ca -0.09 -2.24 -0.21 0.00 0.00 0.00 0.00 61.98 59.44 1nfq s VAL 86 Cb -0.15 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.31 1nfq s VAL 86 CO 0.00 -0.64 1.76 0.20 0.00 0.00 0.00 175.10 176.42 1nfq s ASN 87 N 1.27 6.13 -0.16 3.32 0.01 -0.05 -2.24 114.94 123.22 1nfq s ASN 87 Ca 0.10 -1.90 0.18 0.00 -0.71 0.00 0.00 52.86 50.53 1nfq s ASN 87 Cb -0.21 -2.58 -0.26 0.00 0.41 0.00 0.00 41.25 38.61 1nfq s ASN 87 CO -0.06 -1.90 0.16 -3.20 -1.51 0.00 0.00 177.10 170.58 1nfq n ASN 88 N 10.64 0.11 -4.67 -1.22 2.85 -1.24 -2.18 115.26 119.56 1nfq n ASN 88 Ca 0.44 0.00 -0.44 0.00 -0.11 0.00 0.00 54.58 54.47 1nfq n ASN 88 Cb 0.47 1.20 -0.02 0.00 1.24 0.00 0.00 39.78 42.68 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 -2.63 1.08 -3.60 5.20 0.00 -0.92 -4.87 120.51 114.77 1nfq n ALA 89 Ca -0.26 0.39 -0.03 0.00 0.00 0.00 0.00 53.44 53.54 1nfq n ALA 89 Cb 1.02 -2.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.20 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 0.03 -0.33 0.26 0.00 0.00 -1.26 -4.74 107.32 101.28 1nfq s GLY 90 Ca 0.63 1.27 0.04 0.00 0.00 0.00 0.00 44.72 46.67 1nfq s GLY 90 CO 0.55 0.39 0.00 -0.26 0.00 0.00 0.00 173.10 173.78 1nfq s ILE 91 N -2.48 1.17 -0.06 0.90 -4.36 -1.26 -5.04 121.20 110.07 1nfq s ILE 91 Ca 0.11 -2.04 0.00 0.00 -0.26 0.00 0.00 60.65 58.46 1nfq s ILE 91 Cb 0.01 -2.49 0.02 0.00 1.25 0.00 0.00 42.46 41.25 1nfq s ILE 91 CO -0.04 -0.23 -0.04 -0.22 0.24 0.00 0.00 174.94 174.65 1nfq s LEU 92 N -3.38 1.08 0.05 0.37 2.96 -1.26 -4.95 118.68 113.56 1nfq s LEU 92 Ca 0.31 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.09 1nfq s LEU 92 Cb 0.06 -0.52 -0.03 0.00 0.50 0.00 0.00 46.19 46.20 1nfq s LEU 92 CO 0.11 -0.10 -0.06 0.54 -1.32 0.00 0.00 176.35 175.52 1nfq s ASN 93 N 1.35 0.78 0.35 3.68 2.20 -1.26 -5.15 114.94 116.88 1nfq s ASN 93 Ca -0.04 -0.72 0.03 0.00 -0.94 0.00 0.00 52.86 51.19 1nfq s ASN 93 Cb -0.13 0.08 -0.05 0.00 -2.00 0.00 0.00 41.25 39.15 1nfq s ASN 93 CO -0.03 -0.34 0.09 0.27 -2.94 0.00 0.00 177.10 174.15 1nfq s ILE 94 N -2.34 0.84 0.00 0.54 -4.36 -1.26 -4.61 121.20 110.01 1nfq s ILE 94 Ca -0.03 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.36 1nfq s ILE 94 Cb -0.03 -2.59 0.00 0.00 1.25 0.00 0.00 42.46 41.08 1nfq s ILE 94 CO -0.03 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.76 1nfq n GLY 95 N -0.74 4.15 3.75 6.27 0.00 -0.52 -4.96 105.19 113.15 1nfq n GLY 95 Ca -0.03 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.56 2.53 0.20 2.61 -4.23 -1.26 -4.21 115.64 109.72 1nfq s THR 96 Ca 0.00 0.17 -0.11 0.00 -1.18 0.00 0.00 61.69 60.57 1nfq s THR 96 Cb 0.00 -2.80 0.15 0.00 1.34 0.00 0.00 72.50 71.20 1nfq s THR 96 CO 0.00 -0.22 1.70 0.40 -0.54 0.00 0.00 174.62 175.96 1nfq h ILE 97 N -1.46 0.63 0.32 2.99 2.04 -1.96 -2.64 117.51 117.45 1nfq h ILE 97 Ca -0.50 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 1nfq h ILE 97 Cb 1.30 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1nfq h ILE 97 CO 0.58 0.04 -0.15 -0.33 0.00 0.00 0.00 178.15 178.29 1nfq h GLU 98 N 0.23 -0.42 -1.08 2.37 3.07 -2.06 -3.32 114.58 113.37 1nfq h GLU 98 Ca 0.30 0.03 -0.50 0.00 -0.50 0.00 0.00 59.36 58.69 1nfq h GLU 98 Cb 0.45 0.09 -0.25 0.00 -0.84 0.00 0.00 28.75 28.20 1nfq h GLU 98 CO -0.40 -0.10 0.64 -0.40 -1.40 0.00 0.00 179.01 177.34 1nfq n ASP 99 N -5.14 5.47 -4.44 1.42 3.85 -1.20 -4.86 116.55 111.65 1nfq n ASP 99 Ca -0.10 -3.45 -0.39 0.00 -0.71 0.00 0.00 54.79 50.14 1nfq n ASP 99 Cb 0.26 -0.89 -0.11 0.00 -1.35 0.00 0.00 41.12 39.03 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 -2.97 3.19 0.28 2.11 5.04 -1.00 -4.69 117.35 119.32 1nfq s TYR 100 Ca 0.51 -0.60 -0.30 0.00 -2.44 0.00 0.00 57.07 54.24 1nfq s TYR 100 Cb 0.41 -2.38 -0.11 0.00 0.35 0.00 0.00 41.96 40.23 1nfq s TYR 100 CO 0.04 -0.48 1.50 0.00 -1.34 0.00 0.00 175.55 175.27 1nfq s ALA 101 N 1.61 3.67 0.56 3.97 0.00 -1.26 -4.90 121.76 125.41 1nfq s ALA 101 Ca 0.04 1.45 0.28 0.00 0.00 0.00 0.00 51.96 53.73 1nfq s ALA 101 Cb -0.17 -3.60 1.70 0.00 0.00 0.00 0.00 23.12 21.05 1nfq s ALA 101 CO 0.07 -0.87 2.21 -0.07 0.00 0.00 0.00 175.76 177.10 1nfq h LEU 102 N 4.68 0.00 -0.42 0.00 3.38 -1.98 -1.27 115.31 119.69 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 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1nfq h LEU 102 CO 0.76 0.02 -0.69 0.71 0.09 0.00 0.00 178.44 179.34 1nfq h THR 103 N 0.00 1.36 -0.35 0.22 1.35 -1.99 -1.41 112.91 112.09 1nfq h THR 103 Ca -0.00 -2.06 -0.13 0.00 -0.55 0.00 0.00 66.41 63.67 1nfq h THR 103 Cb 0.06 2.03 -0.01 0.00 -1.73 0.00 0.00 68.15 68.50 1nfq h THR 103 CO 0.00 0.62 -0.31 -0.33 -0.25 0.00 0.00 175.52 175.25 1nfq h GLU 104 N 0.31 0.76 -0.21 4.72 5.08 -1.63 -0.34 114.58 123.27 1nfq h GLU 104 Ca -0.02 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 1nfq h GLU 104 Cb 1.26 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1nfq h GLU 104 CO 0.12 0.97 0.11 2.35 -1.00 0.00 0.00 179.01 181.56 1nfq h TRP 105 N 0.64 0.29 -0.64 4.33 2.91 -1.23 -1.57 115.95 120.68 1nfq h TRP 105 Ca 0.07 -0.01 -0.09 0.00 1.13 0.00 0.00 58.89 60.00 1nfq h TRP 105 Cb 0.84 -0.09 -0.02 0.00 -0.51 0.00 0.00 29.16 29.37 1nfq h TRP 105 CO 0.04 0.27 0.07 1.96 -1.03 0.00 0.00 178.44 179.75 1nfq h GLN 106 N 0.23 1.08 -0.21 2.65 1.08 -1.10 -2.46 115.11 116.39 1nfq h GLN 106 Ca 0.07 -0.31 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 1nfq h GLN 106 Cb 0.08 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 1nfq h GLN 106 CO -0.01 1.01 0.13 -0.09 -0.95 0.00 0.00 178.83 178.93 1nfq h ARG 107 N 1.00 0.28 -0.02 1.46 9.65 -0.83 -1.31 114.38 124.61 1nfq h ARG 107 Ca 0.19 -0.02 -0.09 0.00 -1.10 0.00 0.00 59.98 58.96 1nfq h ARG 107 Cb 0.48 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 1nfq h ARG 107 CO 0.02 0.20 -0.40 0.97 2.80 0.00 0.00 179.97 183.55 1nfq h ILE 108 N 0.27 1.30 -0.43 1.20 2.10 -1.23 -2.15 117.51 118.58 1nfq h ILE 108 Ca 0.08 -1.41 -0.10 0.00 1.08 0.00 0.00 64.86 64.50 1nfq h ILE 108 Cb -0.01 1.74 -0.01 0.00 -1.09 0.00 0.00 36.82 37.44 1nfq h ILE 108 CO -0.02 0.41 -0.13 -0.07 -1.08 0.00 0.00 178.15 177.27 1nfq h LEU 109 N 0.03 0.85 0.01 2.19 4.07 -1.08 -1.07 115.31 120.31 1nfq h LEU 109 Ca 0.00 -0.37 -0.00 0.00 0.08 0.00 0.00 57.88 57.59 1nfq h LEU 109 Cb 0.73 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 42.24 1nfq h LEU 109 CO 0.05 1.03 -0.00 0.44 -1.08 0.00 0.00 178.44 178.88 1nfq h ASP 110 N 0.66 -0.01 0.29 -0.43 3.32 -0.89 -0.73 116.42 118.64 1nfq h ASP 110 Ca 0.11 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1nfq h ASP 110 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1nfq h ASP 110 CO 0.05 0.10 -0.14 0.58 -1.72 0.00 0.00 179.24 178.11 1nfq h VAL 111 N -0.12 0.00 0.00 -1.35 2.07 -1.42 0.20 116.25 115.63 1nfq h VAL 111 Ca -0.00 -0.68 -0.07 0.00 0.82 0.00 0.00 66.70 66.77 1nfq h VAL 111 Cb 0.12 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1nfq h VAL 111 CO 0.00 0.00 -0.33 0.78 0.02 0.00 0.00 177.57 178.04 1nfq h ASN 112 N -1.06 0.00 0.00 0.57 4.21 -1.33 -3.08 115.58 114.89 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 0.30 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.50 1nfq h ASN 112 CO 0.06 0.33 -0.41 -0.11 -1.29 0.00 0.00 177.43 176.02 1nfq n LEU 113 N -3.94 1.40 -0.10 1.61 7.94 -0.77 -4.44 117.00 118.71 1nfq n LEU 113 Ca -0.02 0.21 -0.00 0.00 -1.11 0.00 0.00 56.01 55.09 1nfq n LEU 113 Cb 0.39 -0.50 0.26 0.00 0.53 0.00 0.00 43.42 44.11 1nfq n LEU 113 CO 0.37 -0.55 1.05 0.74 -1.11 0.00 0.00 177.39 177.90 1nfq h THR 114 N -0.41 1.19 -0.80 1.96 2.02 -1.10 -2.01 112.91 113.76 1nfq h THR 114 Ca 0.00 -0.61 0.03 0.00 0.77 0.00 0.00 66.41 66.60 1nfq h THR 114 Cb 0.41 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 1nfq h THR 114 CO 0.00 0.24 0.52 1.23 0.37 0.00 0.00 175.52 177.87 1nfq h GLY 115 N 0.88 1.16 1.03 2.16 0.00 -0.50 0.91 103.07 108.72 1nfq h GLY 115 Ca 0.18 -0.39 -0.09 0.00 0.00 0.00 0.00 47.33 47.03 1nfq h GLY 115 CO -0.02 0.34 -0.02 -2.08 0.00 0.00 0.00 176.54 174.76 1nfq h VAL 116 N 1.01 1.27 -0.57 4.60 2.07 -1.56 -2.00 116.25 121.07 1nfq h VAL 116 Ca 0.32 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 1nfq h VAL 116 Cb -0.00 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1nfq h VAL 116 CO -0.11 0.39 0.20 0.15 0.02 0.00 0.00 177.57 178.23 1nfq h PHE 117 N 0.77 0.90 -0.72 1.57 3.57 -0.73 -2.45 116.94 119.84 1nfq h PHE 117 Ca 0.14 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 1nfq h PHE 117 Cb 0.55 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 1nfq h PHE 117 CO 0.04 0.74 0.29 -0.07 -2.23 0.00 0.00 178.31 177.08 1nfq h LEU 118 N 0.79 0.98 -0.80 0.59 3.38 -0.69 -1.78 115.31 117.78 1nfq h LEU 118 Ca 0.19 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1nfq h LEU 118 Cb 0.25 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1nfq h LEU 118 CO -0.01 0.87 0.39 1.23 0.09 0.00 0.00 178.44 181.01 1nfq h GLY 119 N 1.10 1.23 0.93 0.83 0.00 -1.13 -1.50 103.07 104.53 1nfq h GLY 119 Ca 0.24 -0.61 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 1nfq h GLY 119 CO -0.02 0.58 -0.02 -2.22 0.00 0.00 0.00 176.54 174.85 1nfq h ILE 120 N 1.13 1.26 -0.71 2.60 2.04 -1.05 -2.56 117.51 120.22 1nfq h ILE 120 Ca 0.27 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 1nfq h ILE 120 Cb 0.11 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1nfq h ILE 120 CO -0.04 0.34 0.42 0.03 0.00 0.00 0.00 178.15 178.91 1nfq h ARG 121 N 0.47 0.97 0.00 2.37 3.08 -1.12 -2.72 114.38 117.43 1nfq h ARG 121 Ca 0.10 -0.09 -0.11 0.00 0.07 0.00 0.00 59.98 59.96 1nfq h ARG 121 Cb 0.50 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1nfq h ARG 121 CO 0.02 0.69 -0.51 0.00 -1.07 0.00 0.00 179.97 179.10 1nfq h ALA 122 N 1.48 1.15 -0.00 0.04 0.00 -1.07 -3.31 119.26 117.54 1nfq h ALA 122 Ca 0.26 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1nfq h ALA 122 Cb -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1nfq h ALA 122 CO -0.05 0.64 -0.91 1.33 0.00 0.00 0.00 179.25 180.26 1nfq n VAL 123 N -3.92 0.00 -0.26 0.00 0.24 -0.98 -4.49 118.33 108.92 1nfq n VAL 123 Ca -0.01 -0.01 -0.03 0.00 -2.04 0.00 0.00 64.34 62.25 1nfq n VAL 123 Cb 0.53 0.90 0.15 0.00 -1.47 0.00 0.00 33.84 33.94 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 0.09 1.24 0.75 3.34 -1.51 -1.58 -2.67 116.25 115.91 1nfq h VAL 124 Ca 0.00 -0.62 -0.03 0.00 -1.23 0.00 0.00 66.70 64.82 1nfq h VAL 124 Cb 0.51 0.20 -0.01 0.00 -2.13 0.00 0.00 31.29 29.86 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 1.10 -1.13 -0.49 5.19 3.64 -1.80 0.22 116.57 123.30 1nfq h LYS 125 Ca 0.27 0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.71 1nfq h LYS 125 Cb 0.06 0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1nfq h LYS 125 CO -0.04 -0.76 0.22 -1.00 -2.27 0.00 0.00 179.45 175.61 1nfq h PRO 126 N -1.18 0.68 -0.47 1.90 0.13 -1.85 -2.21 132.00 129.00 1nfq h PRO 126 Ca -0.10 -0.08 -0.13 0.00 -0.87 0.00 0.00 66.00 64.82 1nfq h PRO 126 Cb 0.95 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 1nfq h PRO 126 CO 0.08 0.54 -0.22 0.52 -0.23 0.00 0.00 178.00 178.69 1nfq h MET 127 N 0.68 0.97 -0.12 0.86 2.86 -1.28 -1.97 114.93 116.93 1nfq h MET 127 Ca 0.17 -0.42 -0.07 0.00 -2.06 0.00 0.00 59.70 57.32 1nfq h MET 127 Cb 0.09 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1nfq h MET 127 CO -0.02 1.09 -0.23 0.87 1.06 0.00 0.00 176.91 179.68 1nfq h LYS 128 N 0.82 0.20 -0.18 1.72 1.57 -0.26 -2.41 116.57 118.03 1nfq h LYS 128 Ca 0.10 -0.06 -0.20 0.00 -1.87 0.00 0.00 60.65 58.62 1nfq h LYS 128 Cb 0.80 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1nfq h LYS 128 CO 0.07 0.42 -0.69 0.93 -0.57 0.00 0.00 179.45 179.61 1nfq h GLU 129 N 0.18 0.72 0.00 3.15 5.08 -1.23 -3.08 114.58 119.41 1nfq h GLU 129 Ca 0.03 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1nfq h GLU 129 Cb 0.51 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1nfq h GLU 129 CO 0.03 1.16 0.00 0.00 -1.00 0.00 0.00 179.01 179.20 1nfq n ALA 130 N -2.57 1.83 0.00 3.43 0.00 -0.76 -4.90 120.51 117.54 1nfq n ALA 130 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1nfq n ALA 130 Cb 0.70 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1nfq n ALA 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nfq n GLY 131 N 0.36 2.86 3.78 0.00 0.00 -0.94 -4.99 105.19 106.27 1nfq n GLY 131 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.60 1.41 0.00 1.61 1.04 -1.17 -4.08 118.95 117.16 1nfq s ARG 132 Ca 0.00 -0.77 0.00 0.00 -1.04 0.00 0.00 55.73 53.92 1nfq s ARG 132 Cb 0.00 0.49 0.00 0.00 -2.04 0.00 0.00 34.95 33.40 1nfq s ARG 132 CO 0.00 -0.64 0.00 0.41 -0.04 0.00 0.00 175.30 175.03 1nfq n GLY 133 N -0.46 0.44 2.73 3.88 0.00 -0.89 -4.76 105.19 106.14 1nfq n GLY 133 Ca -0.06 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 1nfq n GLY 133 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nfq s SER 134 N 0.00 1.40 -0.19 1.61 0.15 -0.13 -0.47 113.70 116.07 1nfq s SER 134 Ca 0.00 -0.02 -0.04 0.00 0.70 0.00 0.00 55.95 56.59 1nfq s SER 134 Cb 0.00 -0.33 -0.02 0.00 -1.71 0.00 0.00 66.02 63.96 1nfq s SER 134 CO 0.00 -0.21 -0.02 -0.63 1.20 0.00 0.00 173.24 173.57 1nfq s ILE 135 N 2.03 3.79 -0.28 6.45 1.01 0.95 -1.68 121.20 133.47 1nfq s ILE 135 Ca 0.05 -0.37 -0.00 0.00 0.00 0.00 0.00 60.65 60.32 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 -0.04 0.45 -0.04 -0.63 0.00 0.00 0.00 174.94 174.67 1nfq s ILE 136 N 0.87 2.69 -0.22 2.92 1.01 0.62 -1.60 121.20 127.50 1nfq s ILE 136 Ca -0.00 -1.44 -0.14 0.00 0.00 0.00 0.00 60.65 59.07 1nfq s ILE 136 Cb -0.14 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 1nfq s ILE 136 CO 0.02 -0.05 0.32 0.20 0.00 0.00 0.00 174.94 175.42 1nfq s ASN 137 N 1.21 6.32 -0.53 3.58 0.01 -0.18 -0.87 114.94 124.48 1nfq s ASN 137 Ca -0.06 0.37 -0.23 0.00 -0.71 0.00 0.00 52.86 52.23 1nfq s ASN 137 Cb -0.20 -2.19 0.04 0.00 0.41 0.00 0.00 41.25 39.32 1nfq s ASN 137 CO -0.03 -0.03 0.85 -0.63 -1.51 0.00 0.00 177.10 175.75 1nfq s ILE 138 N 1.26 4.53 0.00 0.60 -1.09 -0.93 -0.89 121.20 124.69 1nfq s ILE 138 Ca 0.15 0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.67 1nfq s ILE 138 Cb -0.14 -4.46 0.00 0.00 -1.58 0.00 0.00 42.46 36.28 1nfq s ILE 138 CO 0.07 -1.00 0.00 -0.24 -1.23 0.00 0.00 174.94 172.54 1nfq n SER 139 N 7.07 0.00 -3.72 3.58 2.88 0.57 -4.93 113.62 119.07 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 63.93 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 -0.91 -0.02 0.18 -3.46 1.04 -1.24 -4.47 113.70 104.83 1nfq s SER 140 Ca 0.00 -0.10 0.21 0.00 0.48 0.00 0.00 55.95 56.54 1nfq s SER 140 Cb 0.00 0.09 0.88 0.00 0.10 0.00 0.00 66.02 67.09 1nfq s SER 140 CO 0.00 -0.18 1.65 2.30 0.98 0.00 0.00 173.24 178.00 1nfq n ILE 141 N -0.68 0.84 1.20 -1.02 -5.35 -1.06 -0.84 119.36 112.45 1nfq n ILE 141 Ca -0.03 0.20 0.11 0.00 -0.27 0.00 0.00 62.75 62.76 1nfq n ILE 141 Cb 0.61 -1.07 0.61 0.00 -1.74 0.00 0.00 39.64 38.05 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 -2.02 0.47 -0.30 6.28 4.71 -1.26 -1.10 120.64 127.41 1nfq n GLU 142 Ca 0.03 0.05 0.11 0.00 -0.01 0.00 0.00 57.16 57.34 1nfq n GLU 142 Cb 0.23 -1.50 0.28 0.00 -1.01 0.00 0.00 31.44 29.44 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 0.55 2.26 0.00 0.62 0.00 -0.02 -4.28 105.19 104.31 1nfq n GLY 143 Ca 0.13 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 1.54 0.69 -4.06 0.99 4.77 -0.26 -4.46 117.00 116.22 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 0.61 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.62 1nfq n LEU 144 CO 0.16 0.12 -0.01 0.00 -1.33 0.00 0.00 177.39 176.32 1nfq s ALA 145 N -1.99 0.28 0.54 -1.18 0.00 -0.89 -5.15 121.76 113.37 1nfq s ALA 145 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.81 1nfq s ALA 145 Cb 0.00 1.12 0.02 0.00 0.00 0.00 0.00 23.12 24.26 1nfq s ALA 145 CO 0.00 -0.71 0.77 0.20 0.00 0.00 0.00 175.76 176.01 1nfq s GLY 146 N -3.05 1.75 -0.07 0.00 0.00 -1.26 -4.40 107.32 100.28 1nfq s GLY 146 Ca 0.26 -1.21 -0.09 0.00 0.00 0.00 0.00 44.72 43.68 1nfq s GLY 146 CO 0.08 -0.95 0.23 -1.59 0.00 0.00 0.00 173.10 170.87 1nfq s THR 147 N -2.75 0.02 0.44 0.90 2.01 -1.26 -5.06 115.64 109.94 1nfq s THR 147 Ca 0.55 -0.15 -0.25 0.00 0.31 0.00 0.00 61.69 62.15 1nfq s THR 147 Cb -0.10 -0.38 -0.08 0.00 0.01 0.00 0.00 72.50 71.95 1nfq s THR 147 CO 0.39 -0.09 1.30 -0.69 -0.69 0.00 0.00 174.62 174.85 1nfq s VAL 148 N -0.26 2.54 -1.34 3.82 1.01 -1.26 -3.09 120.40 121.82 1nfq s VAL 148 Ca -0.04 0.46 -0.02 0.00 0.00 0.00 0.00 61.98 62.38 1nfq s VAL 148 Cb -0.03 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 33.10 1nfq s VAL 148 CO 0.01 0.05 0.16 0.00 0.00 0.00 0.00 175.10 175.31 1nfq n ALA 149 N -0.19 -0.81 -2.59 5.51 0.00 -1.26 -4.86 120.51 116.31 1nfq n ALA 149 Ca 0.05 0.14 -0.08 0.00 0.00 0.00 0.00 53.44 53.55 1nfq n ALA 149 Cb 0.44 -2.21 0.04 0.00 0.00 0.00 0.00 19.45 17.72 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 2.53 0.67 -0.17 0.00 -0.00 -1.80 -0.36 115.15 116.02 1nfq h HIS 151 Ca 0.02 -0.07 -0.06 0.00 -0.00 0.00 0.00 60.37 60.26 1nfq h HIS 151 Cb 1.32 -0.19 -0.00 0.00 -0.00 0.00 0.00 27.41 28.53 1nfq h HIS 151 CO 0.61 0.63 -0.12 0.78 -0.00 0.00 0.00 177.93 179.83 1nfq h GLY 152 N 0.52 0.41 0.93 2.45 0.00 -1.92 -1.63 103.07 103.84 1nfq h GLY 152 Ca 0.13 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1nfq h GLY 152 CO -0.00 0.36 0.10 -1.82 0.00 0.00 0.00 176.54 175.17 1nfq h TYR 153 N 0.05 0.28 -0.33 5.60 3.20 -1.81 -1.86 116.97 122.10 1nfq h TYR 153 Ca 0.03 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 1nfq h TYR 153 Cb 0.62 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 1nfq h TYR 153 CO 0.07 0.28 0.20 1.15 -1.64 0.00 0.00 178.16 178.22 1nfq h THR 154 N 0.20 1.11 -0.33 1.81 2.02 -1.09 -1.16 112.91 115.46 1nfq h THR 154 Ca 0.07 -0.26 0.02 0.00 0.77 0.00 0.00 66.41 67.01 1nfq h THR 154 Cb 0.10 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1nfq h THR 154 CO -0.01 0.11 0.19 0.00 0.37 0.00 0.00 175.52 176.18 1nfq h ALA 155 N 1.08 0.41 -0.28 6.16 0.00 -1.18 -1.55 119.26 123.90 1nfq h ALA 155 Ca 0.12 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1nfq h ALA 155 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1nfq h ALA 155 CO -0.02 -0.18 -0.40 1.79 0.00 0.00 0.00 179.25 180.44 1nfq h THR 156 N 0.38 1.29 -0.05 0.00 1.35 -1.22 -1.50 112.91 113.16 1nfq h THR 156 Ca 0.13 -1.57 -0.10 0.00 -0.55 0.00 0.00 66.41 64.32 1nfq h THR 156 Cb 0.02 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 1nfq h THR 156 CO -0.07 0.51 -0.43 0.11 -0.25 0.00 0.00 175.52 175.39 1nfq h LYS 157 N 0.56 0.11 -0.19 4.72 1.79 -1.04 0.11 116.57 122.62 1nfq h LYS 157 Ca 0.05 -0.05 -0.21 0.00 -2.18 0.00 0.00 60.65 58.26 1nfq h LYS 157 Cb 0.93 -0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.59 1nfq h LYS 157 CO 0.08 0.52 -0.70 0.74 -1.08 0.00 0.00 179.45 179.02 1nfq h PHE 158 N 0.09 1.04 -0.53 -1.35 -1.00 -1.16 -2.79 116.94 111.24 1nfq h PHE 158 Ca 0.01 -0.43 -0.04 0.00 2.81 0.00 0.00 57.97 60.31 1nfq h PHE 158 Cb 0.80 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 40.16 1nfq h PHE 158 CO 0.01 1.26 0.16 0.00 -1.61 0.00 0.00 178.31 178.12 1nfq h ALA 159 N 0.63 0.70 -0.53 2.45 0.00 -0.87 -1.71 119.26 119.94 1nfq h ALA 159 Ca -0.03 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1nfq h ALA 159 Cb 1.32 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1nfq h ALA 159 CO 0.15 0.37 0.25 0.28 0.00 0.00 0.00 179.25 180.29 1nfq h VAL 160 N 0.74 1.18 -0.63 0.00 2.07 -0.99 0.31 116.25 118.93 1nfq h VAL 160 Ca 0.17 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 1nfq h VAL 160 Cb 0.29 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1nfq h VAL 160 CO -0.00 0.21 0.20 -0.09 0.02 0.00 0.00 177.57 177.90 1nfq h ARG 161 N 0.75 0.97 -0.12 1.57 2.43 -1.16 -1.69 114.38 117.12 1nfq h ARG 161 Ca 0.19 -0.21 -0.22 0.00 -0.81 0.00 0.00 59.98 58.93 1nfq h ARG 161 Cb 0.09 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1nfq h ARG 161 CO -0.02 0.86 -0.78 0.78 -1.51 0.00 0.00 179.97 179.29 1nfq h GLY 162 N 0.90 0.83 1.89 2.80 0.00 -0.41 -3.12 103.07 105.95 1nfq h GLY 162 Ca 0.20 -1.21 -0.01 0.00 0.00 0.00 0.00 47.33 46.32 1nfq h GLY 162 CO -0.01 1.07 0.03 -2.00 0.00 0.00 0.00 176.54 175.64 1nfq h LEU 163 N 0.46 0.13 -0.83 3.11 5.85 -0.33 -1.70 115.31 122.00 1nfq h LEU 163 Ca -0.06 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 1nfq h LEU 163 Cb 1.42 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.38 1nfq h LEU 163 CO 0.16 0.14 0.40 0.74 -0.34 0.00 0.00 178.44 179.54 1nfq h THR 164 N 0.15 1.26 -0.08 1.05 2.02 -1.24 -2.31 112.91 113.76 1nfq h THR 164 Ca 0.04 -0.73 -0.08 0.00 0.77 0.00 0.00 66.41 66.41 1nfq h THR 164 Cb 0.06 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 1nfq h THR 164 CO -0.00 0.31 -0.25 0.11 0.37 0.00 0.00 175.52 176.05 1nfq h LYS 165 N 1.19 0.32 -0.68 6.66 1.57 -1.33 -2.09 116.57 122.20 1nfq h LYS 165 Ca 0.29 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1nfq h LYS 165 Cb 0.12 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1nfq h LYS 165 CO -0.04 0.85 0.18 0.66 -0.57 0.00 0.00 179.45 180.54 1nfq h SER 166 N -0.16 1.02 0.60 0.86 4.64 -1.47 -2.31 113.55 116.73 1nfq h SER 166 Ca -0.01 -0.22 -0.14 0.00 -0.47 0.00 0.00 61.79 60.95 1nfq h SER 166 Cb 0.88 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 1nfq h SER 166 CO 0.05 0.97 -0.63 0.71 -0.87 0.00 0.00 176.83 177.06 1nfq h THR 167 N 1.01 1.45 -0.63 2.95 1.35 -1.49 -2.71 112.91 114.84 1nfq h THR 167 Ca 0.22 -2.15 -0.09 0.00 -0.55 0.00 0.00 66.41 63.83 1nfq h THR 167 Cb 0.34 2.16 -0.02 0.00 -1.73 0.00 0.00 68.15 68.89 1nfq h THR 167 CO -0.00 0.62 0.02 0.00 -0.25 0.00 0.00 175.52 175.91 1nfq h ALA 168 N 1.34 0.85 -0.54 6.62 0.00 -1.11 0.10 119.26 126.52 1nfq h ALA 168 Ca -0.01 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1nfq h ALA 168 Cb 1.13 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1nfq h ALA 168 CO 0.08 0.67 -0.11 -0.07 0.00 0.00 0.00 179.25 179.83 1nfq h LEU 169 N 1.00 1.03 -0.22 0.00 3.38 -1.33 -0.79 115.31 118.38 1nfq h LEU 169 Ca 0.18 -0.35 -0.17 0.00 0.09 0.00 0.00 57.88 57.63 1nfq h LEU 169 Cb 0.54 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1nfq h LEU 169 CO 0.03 1.14 -0.52 -0.08 0.09 0.00 0.00 178.44 179.10 1nfq h GLU 170 N 0.90 0.74 0.00 1.13 4.81 -1.31 -3.30 114.58 117.55 1nfq h GLU 170 Ca 0.14 -0.50 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1nfq h GLU 170 Cb 0.68 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1nfq h GLU 170 CO 0.05 1.13 -0.47 -0.07 -0.73 0.00 0.00 179.01 178.92 1nfq h LEU 171 N 0.47 0.00 -0.53 1.64 3.38 -0.98 -3.38 115.31 115.91 1nfq h LEU 171 Ca -0.00 -0.15 0.11 0.00 0.09 0.00 0.00 57.88 57.93 1nfq h LEU 171 Cb 1.13 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.78 1nfq h LEU 171 CO 0.11 0.07 -0.19 1.23 0.09 0.00 0.00 178.44 179.75 1nfq h GLY 172 N 4.48 0.24 1.63 0.83 0.00 -1.18 0.05 103.07 109.10 1nfq h GLY 172 Ca 0.00 0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.59 1nfq h GLY 172 CO 0.00 -0.22 0.18 -2.55 0.00 0.00 0.00 176.54 173.95 1nfq h PRO 173 N -0.07 0.00 -0.24 4.80 0.11 -1.79 0.66 132.00 135.46 1nfq h PRO 173 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 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 -0.58 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 177.64 1nfq n SER 174 N -3.08 2.35 0.00 -2.05 7.64 -0.02 -4.92 113.62 113.55 1nfq n SER 174 Ca -0.02 -1.82 0.00 0.00 1.01 0.00 0.00 58.87 58.04 1nfq n SER 174 Cb 0.25 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 1.27 0.51 3.60 0.23 0.00 0.22 -3.97 105.19 107.05 1nfq n GLY 175 Ca 0.17 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 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 4.68 -0.06 -0.61 1.01 -1.09 -2.10 121.20 121.03 1nfq s ILE 176 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.55 1nfq s ILE 176 Cb 0.00 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 1nfq s ILE 176 CO 0.00 0.44 0.12 -0.13 0.00 0.00 0.00 174.94 175.37 1nfq s ARG 177 N 0.59 3.30 -0.09 2.79 0.52 0.38 -3.53 118.95 122.92 1nfq s ARG 177 Ca 0.03 -0.30 -0.00 0.00 -0.52 0.00 0.00 55.73 54.94 1nfq s ARG 177 Cb -0.13 -3.04 0.02 0.00 0.52 0.00 0.00 34.95 32.32 1nfq s ARG 177 CO 0.01 0.71 -0.05 0.08 0.02 0.00 0.00 175.30 176.07 1nfq s VAL 178 N -1.14 0.75 0.08 3.52 1.01 -1.26 -0.04 120.40 123.32 1nfq s VAL 178 Ca 0.20 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1nfq s VAL 178 Cb -0.12 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 1nfq s VAL 178 CO 0.11 0.31 -0.07 0.20 0.00 0.00 0.00 175.10 175.65 1nfq s ASN 179 N 1.60 1.00 0.02 3.32 0.01 -0.63 0.16 114.94 120.42 1nfq s ASN 179 Ca 0.01 -0.87 0.06 0.00 -0.71 0.00 0.00 52.86 51.35 1nfq s ASN 179 Cb -0.13 0.09 -0.03 0.00 0.41 0.00 0.00 41.25 41.59 1nfq s ASN 179 CO -0.05 -0.40 -0.18 -0.94 -1.51 0.00 0.00 177.10 174.02 1nfq s SER 180 N -2.61 3.81 -0.12 -1.22 1.04 -0.60 -1.01 113.70 112.98 1nfq s SER 180 Ca 0.05 -0.38 -0.02 0.00 0.48 0.00 0.00 55.95 56.09 1nfq s SER 180 Cb 0.01 -0.65 -0.03 0.00 0.10 0.00 0.00 66.02 65.45 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 -0.86 3.87 -0.52 -1.02 1.01 -0.07 -0.45 121.20 123.16 1nfq s ILE 181 Ca 0.14 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.44 1nfq s ILE 181 Cb -0.10 -2.65 0.14 0.00 0.01 0.00 0.00 42.46 39.85 1nfq s ILE 181 CO 0.04 0.54 0.28 -1.00 0.00 0.00 0.00 174.94 174.80 1nfq s HIS 182 N -0.15 2.91 0.51 3.97 3.76 0.20 -0.32 115.29 126.18 1nfq s HIS 182 Ca 0.03 -3.01 -0.05 0.00 -0.15 0.00 0.00 55.06 51.88 1nfq s HIS 182 Cb -0.13 -2.57 -0.02 0.00 1.11 0.00 0.00 32.58 30.96 1nfq s HIS 182 CO 0.03 -0.73 0.81 -1.25 -0.85 0.00 0.00 174.74 172.75 1nfq s PRO 183 N -0.24 3.34 0.00 8.40 0.04 -1.26 -1.98 135.00 143.30 1nfq s PRO 183 Ca 0.18 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.33 1nfq s PRO 183 Cb -0.23 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 31.95 1nfq s PRO 183 CO -0.02 -0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.08 1nfq n GLY 184 N -2.35 1.57 3.68 0.56 0.00 -0.93 -2.56 105.19 105.16 1nfq n GLY 184 Ca 0.02 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 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 4.27 -0.01 0.99 2.96 -1.26 -4.94 118.68 120.69 1nfq s LEU 185 Ca 0.00 1.87 0.08 0.00 -0.22 0.00 0.00 54.13 55.86 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 -0.67 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.43 1nfq s VAL 186 N 2.62 1.91 -0.76 1.68 1.01 -1.26 -1.22 120.40 124.38 1nfq s VAL 186 Ca 0.58 -1.05 -0.26 0.00 0.00 0.00 0.00 61.98 61.25 1nfq s VAL 186 Cb -0.26 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 1nfq s VAL 186 CO 0.22 0.52 1.73 -0.54 0.00 0.00 0.00 175.10 177.03 1nfq s LYS 187 N -0.62 2.83 0.21 2.72 1.02 -0.81 -4.73 119.74 120.37 1nfq s LYS 187 Ca 0.09 -0.00 -0.05 0.00 0.02 0.00 0.00 55.97 56.03 1nfq s LYS 187 Cb -0.09 -4.65 -0.03 0.00 -0.52 0.00 0.00 37.83 32.54 1nfq s LYS 187 CO -0.01 -2.74 0.24 0.95 -0.92 0.00 0.00 175.35 172.88 1nfq s THR 188 N 8.25 0.01 0.57 2.17 -4.23 -1.26 -4.61 115.64 116.54 1nfq s THR 188 Ca 0.59 -1.78 0.41 0.00 -1.18 0.00 0.00 61.69 59.73 1nfq s THR 188 Cb -0.09 -2.36 0.42 0.00 1.34 0.00 0.00 72.50 71.81 1nfq s THR 188 CO 0.10 -0.03 2.30 1.55 -0.54 0.00 0.00 174.62 178.00 1nfq h PRO 189 N 2.51 0.00 0.00 3.99 0.13 -1.98 -1.57 132.00 135.08 1nfq h PRO 189 Ca -0.33 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.78 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 -0.13 1.98 -0.23 0.00 0.00 178.00 180.10 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 -0.10 0.00 -0.80 0.00 0.00 31.60 30.79 1nfq h MET 190 CO 0.00 0.13 -0.54 0.25 0.23 0.00 0.00 176.91 176.98 1nfq n THR 191 N -3.30 0.55 0.51 -0.77 -2.24 -0.67 -4.82 114.28 103.53 1nfq n THR 191 Ca 0.00 -0.96 0.09 0.00 -2.27 0.00 0.00 64.05 60.91 1nfq n THR 191 Cb 0.37 0.42 0.37 0.00 -2.10 0.00 0.00 70.33 69.39 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 -0.24 0.17 -0.47 3.42 5.68 -0.72 -1.93 116.55 122.45 1nfq n ASP 192 Ca 0.06 0.54 0.13 0.00 -0.50 0.00 0.00 54.79 55.02 1nfq n ASP 192 Cb 0.80 -0.58 0.29 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 -1.69 0.00 -3.76 2.11 4.27 -1.26 -4.89 117.44 112.23 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 30.03 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 -2.28 5.43 0.22 -1.67 1.01 -0.81 -5.05 120.40 117.24 1nfq s VAL 194 Ca 0.27 0.23 -0.32 0.00 0.00 0.00 0.00 61.98 62.16 1nfq s VAL 194 Cb 0.20 -3.46 -0.12 0.00 0.00 0.00 0.00 36.38 32.99 1nfq s VAL 194 CO 0.45 0.50 1.72 -0.81 0.00 0.00 0.00 175.10 176.95 1nfq n PRO 195 N 3.01 2.79 0.10 2.72 -0.04 -1.26 -4.84 135.00 137.48 1nfq n PRO 195 Ca -0.17 1.01 0.05 0.00 -0.04 0.00 0.00 63.50 64.34 1nfq n PRO 195 Cb 0.53 -2.85 0.25 0.00 -0.04 0.00 0.00 33.50 31.39 1nfq n PRO 195 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1nfq n GLU 196 N 3.85 0.06 -0.74 0.54 1.02 -1.26 -1.69 120.64 122.43 1nfq n GLU 196 Ca 0.15 0.50 0.02 0.00 -0.02 0.00 0.00 57.16 57.81 1nfq n GLU 196 Cb 0.35 -1.88 0.19 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 -1.81 2.10 0.06 1.62 5.75 -1.26 -3.95 116.55 119.06 1nfq n ASP 197 Ca -0.01 -3.88 0.01 0.00 -0.01 0.00 0.00 54.79 50.91 1nfq n ASP 197 Cb 0.20 -0.54 0.35 0.00 -1.03 0.00 0.00 41.12 40.10 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 1.08 1.18 -2.91 2.12 6.09 -1.70 -3.42 117.51 119.94 1nfq h ILE 198 Ca 0.07 -0.72 -0.62 0.00 -1.37 0.00 0.00 64.86 62.22 1nfq h ILE 198 Cb 1.17 1.03 -0.05 0.00 0.47 0.00 0.00 36.82 39.44 1nfq h ILE 198 CO 0.14 0.24 -0.41 -0.36 -3.07 0.00 0.00 178.15 174.69 1nfq s PHE 199 N -4.90 3.56 -0.30 2.19 2.99 -1.26 -5.05 117.98 115.21 1nfq s PHE 199 Ca -0.07 0.51 -0.29 0.00 0.00 0.00 0.00 56.93 57.09 1nfq s PHE 199 Cb 0.16 -1.95 0.01 0.00 0.00 0.00 0.00 43.02 41.24 1nfq s PHE 199 CO 0.75 0.60 1.04 -0.65 -0.00 0.00 0.00 175.22 176.96 1nfq s GLN 200 N -1.92 4.11 0.27 0.44 -0.21 -1.26 -4.99 119.66 116.10 1nfq s GLN 200 Ca 0.29 1.11 0.11 0.00 0.02 0.00 0.00 55.36 56.89 1nfq s GLN 200 Cb -0.13 -3.71 -0.05 0.00 1.00 0.00 0.00 33.01 30.12 1nfq s GLN 200 CO 0.18 -0.81 -0.19 0.95 -2.12 0.00 0.00 175.29 173.30 1nfq s THR 201 N 3.48 2.33 0.06 -0.19 -4.23 -1.26 -4.03 115.64 111.80 1nfq s THR 201 Ca 0.44 -2.37 0.08 0.00 -1.18 0.00 0.00 61.69 58.66 1nfq s THR 201 Cb -0.13 -2.26 -0.22 0.00 1.34 0.00 0.00 72.50 71.23 1nfq s THR 201 CO 0.13 -0.43 1.06 0.00 -0.54 0.00 0.00 174.62 174.83 1nfq h ALA 202 N 2.32 0.48 0.00 3.99 0.00 -1.03 -3.30 119.26 121.72 1nfq h ALA 202 Ca -0.40 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.41 1nfq h ALA 202 Cb 1.25 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1nfq h ALA 202 CO 0.61 1.35 -0.16 1.28 0.00 0.00 0.00 179.25 182.33 1nfq n LEU 203 N -3.26 0.77 -2.54 0.00 4.77 -1.09 -4.97 117.00 110.67 1nfq n LEU 203 Ca -0.06 0.48 -0.15 0.00 -0.03 0.00 0.00 56.01 56.25 1nfq n LEU 203 Cb 0.98 -0.29 0.05 0.00 -2.33 0.00 0.00 43.42 41.84 1nfq n LEU 203 CO 0.47 -0.14 0.14 0.61 -1.33 0.00 0.00 177.39 177.13 1nfq n GLY 204 N 1.32 -0.04 3.60 -0.72 0.00 -1.24 -5.01 105.19 103.09 1nfq n GLY 204 Ca 0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 -5.62 0.54 0.56 1.61 1.70 -1.26 -5.08 118.95 111.39 1nfq s ARG 205 Ca 0.29 -0.24 -0.05 0.00 -0.47 0.00 0.00 55.73 55.25 1nfq s ARG 205 Cb -0.13 0.22 -0.00 0.00 -0.57 0.00 0.00 34.95 34.47 1nfq s ARG 205 CO 0.48 -0.24 0.86 0.00 -1.08 0.00 0.00 175.30 175.32 1nfq s ALA 206 N -2.67 3.35 0.27 7.88 0.00 -1.25 -4.96 121.76 124.39 1nfq s ALA 206 Ca 0.10 -0.67 -0.06 0.00 0.00 0.00 0.00 51.96 51.33 1nfq s ALA 206 Cb 0.00 -2.57 -0.06 0.00 0.00 0.00 0.00 23.12 20.49 1nfq s ALA 206 CO -0.05 -0.67 0.55 0.00 0.00 0.00 0.00 175.76 175.60 1nfq s ALA 207 N -2.91 3.60 0.07 0.00 0.00 -0.36 -4.95 121.76 117.22 1nfq s ALA 207 Ca 0.52 -0.47 -0.17 0.00 0.00 0.00 0.00 51.96 51.85 1nfq s ALA 207 Cb -0.10 -2.35 -0.06 0.00 0.00 0.00 0.00 23.12 20.61 1nfq s ALA 207 CO 0.45 0.32 0.52 -1.21 0.00 0.00 0.00 175.76 175.84 1nfq s GLU 208 N -3.33 4.06 0.49 0.00 0.41 -1.26 -1.92 118.70 117.15 1nfq s GLU 208 Ca 0.45 0.57 0.25 0.00 -0.41 0.00 0.00 54.97 55.83 1nfq s GLU 208 Cb -0.11 -3.15 1.32 0.00 -1.78 0.00 0.00 34.13 30.41 1nfq s GLU 208 CO 0.27 0.61 1.90 -1.00 -0.49 0.00 0.00 175.26 176.55 1nfq h PRO 209 N 4.30 0.15 0.00 0.39 0.13 -1.95 -0.28 132.00 134.73 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 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1nfq h PRO 209 CO 0.64 0.10 -0.12 -0.24 -0.23 0.00 0.00 178.00 178.15 1nfq h VAL 210 N 0.15 0.88 0.00 1.56 3.04 -1.94 -1.24 116.25 118.70 1nfq h VAL 210 Ca 0.40 -0.43 -0.04 0.00 -1.01 0.00 0.00 66.70 65.63 1nfq h VAL 210 Cb 1.36 1.24 -0.01 0.00 -2.01 0.00 0.00 31.29 31.88 1nfq h VAL 210 CO -0.07 0.11 -0.19 -0.33 -1.01 0.00 0.00 177.57 176.08 1nfq h GLU 211 N 0.00 0.00 0.06 4.17 5.08 -1.43 -0.18 114.58 122.27 1nfq h GLU 211 Ca -0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1nfq h GLU 211 Cb 0.23 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1nfq h GLU 211 CO 0.01 0.19 -1.62 0.28 -1.00 0.00 0.00 179.01 176.88 1nfq h VAL 212 N 0.00 1.01 -0.56 3.13 2.07 -1.36 -3.34 116.25 117.20 1nfq h VAL 212 Ca -0.00 -2.76 -0.02 0.00 0.82 0.00 0.00 66.70 64.73 1nfq h VAL 212 Cb 0.41 2.59 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 1nfq h VAL 212 CO 0.02 0.71 0.25 0.28 0.02 0.00 0.00 177.57 178.85 1nfq h SER 213 N 0.03 0.72 -0.69 0.57 0.02 -0.53 -1.89 113.55 111.78 1nfq h SER 213 Ca -0.26 -0.08 0.03 0.00 -0.84 0.00 0.00 61.79 60.64 1nfq h SER 213 Cb 1.99 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 64.31 1nfq h SER 213 CO 0.11 0.63 0.46 0.78 -1.14 0.00 0.00 176.83 177.67 1nfq h ASN 214 N 0.79 0.72 0.38 3.07 2.35 -1.17 0.03 115.58 121.75 1nfq h ASN 214 Ca 0.19 -0.01 -0.16 0.00 -0.55 0.00 0.00 56.30 55.77 1nfq h ASN 214 Cb 0.12 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1nfq h ASN 214 CO -0.02 0.50 -0.68 0.25 -1.65 0.00 0.00 177.43 175.83 1nfq h LEU 215 N 0.84 0.32 -0.42 1.61 5.85 -1.50 -2.24 115.31 119.78 1nfq h LEU 215 Ca 0.27 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1nfq h LEU 215 Cb 0.04 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1nfq h LEU 215 CO -0.07 0.91 0.03 0.58 -0.34 0.00 0.00 178.44 179.55 1nfq h VAL 216 N 0.19 1.25 -0.41 1.05 2.07 -0.59 -1.52 116.25 118.30 1nfq h VAL 216 Ca -0.02 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1nfq h VAL 216 Cb 1.23 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1nfq h VAL 216 CO 0.11 0.33 0.22 0.58 0.02 0.00 0.00 177.57 178.83 1nfq h VAL 217 N 0.55 1.16 -0.38 2.57 2.07 -0.98 0.13 116.25 121.37 1nfq h VAL 217 Ca 0.12 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.27 1nfq h VAL 217 Cb 0.43 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1nfq h VAL 217 CO 0.01 0.16 0.16 0.22 0.02 0.00 0.00 177.57 178.15 1nfq h TYR 218 N 0.53 0.29 0.00 1.57 3.20 -1.22 0.16 116.97 121.50 1nfq h TYR 218 Ca 0.14 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 1nfq h TYR 218 Cb 0.06 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 1nfq h TYR 218 CO -0.02 0.13 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.20 1nfq h LEU 219 N 0.33 0.00 -0.16 2.82 3.38 -1.04 -3.03 115.31 117.61 1nfq h LEU 219 Ca 0.17 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.93 1nfq h LEU 219 Cb 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1nfq h LEU 219 CO -0.15 0.36 -0.95 0.00 0.09 0.00 0.00 178.44 177.78 1nfq h ALA 220 N 1.64 0.44 -2.49 1.53 0.00 -0.38 -3.46 119.26 116.54 1nfq h ALA 220 Ca -0.00 -0.81 -0.46 0.00 0.00 0.00 0.00 54.91 53.64 1nfq h ALA 220 Cb 0.78 -0.10 0.13 0.00 0.00 0.00 0.00 17.79 18.60 1nfq h ALA 220 CO 0.05 1.05 0.31 -1.54 0.00 0.00 0.00 179.25 179.11 1nfq s SER 221 N -6.86 3.61 0.00 0.00 1.04 -0.01 -4.88 113.70 106.61 1nfq s SER 221 Ca -0.01 0.98 0.30 0.00 0.48 0.00 0.00 55.95 57.70 1nfq s SER 221 Cb 0.10 -1.56 1.59 0.00 0.10 0.00 0.00 66.02 66.25 1nfq s SER 221 CO 0.82 -2.49 2.05 0.47 0.98 0.00 0.00 173.24 175.08 1nfq n ASP 222 N -3.73 0.54 0.02 7.02 8.00 -1.26 -3.59 116.55 123.56 1nfq n ASP 222 Ca 0.07 -1.18 0.00 0.00 0.71 0.00 0.00 54.79 54.38 1nfq n ASP 222 Cb 0.59 -0.00 0.31 0.00 -0.02 0.00 0.00 41.12 42.00 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 0.85 0.46 -0.96 -1.24 5.08 -1.93 -2.45 114.58 114.40 1nfq h GLU 223 Ca 0.00 -0.11 -0.26 0.00 -1.00 0.00 0.00 59.36 58.00 1nfq h GLU 223 Cb 0.18 -0.06 -0.15 0.00 0.50 0.00 0.00 28.75 29.21 1nfq h GLU 223 CO 0.00 0.53 0.33 -1.13 -1.00 0.00 0.00 179.01 177.73 1nfq n SER 224 N -4.27 3.52 -0.15 1.42 3.41 -1.24 -4.68 113.62 111.65 1nfq n SER 224 Ca 0.01 -2.89 0.28 0.00 -0.26 0.00 0.00 58.87 56.01 1nfq n SER 224 Cb 0.26 -0.69 0.71 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.91 0.00 -0.59 4.04 4.64 -1.68 -1.80 113.55 119.08 1nfq h SER 225 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1nfq h SER 225 Cb 2.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.09 1nfq h SER 225 CO 0.60 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.56 1nfq n TYR 226 N -3.94 0.83 -3.89 4.77 9.36 -1.26 -4.90 117.16 118.14 1nfq n TYR 226 Ca 0.18 -0.51 -0.36 0.00 3.32 0.00 0.00 57.90 60.53 1nfq n TYR 226 Cb 1.02 -0.03 -0.12 0.00 -0.63 0.00 0.00 39.34 39.57 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 -1.01 5.05 -0.11 2.98 0.01 -0.68 -5.08 113.70 114.87 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 0.21 -1.89 0.05 0.00 0.21 0.00 0.00 66.02 64.60 1nfq s SER 227 CO 0.26 0.02 0.48 0.28 0.41 0.00 0.00 173.24 174.70 1nfq s THR 228 N 1.30 0.02 -0.71 1.44 -1.32 -1.26 -4.74 115.64 110.35 1nfq s THR 228 Ca 0.04 -0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.39 1nfq s THR 228 Cb -0.15 -0.74 0.00 0.00 -1.51 0.00 0.00 72.50 70.11 1nfq s THR 228 CO 0.03 -0.07 0.00 0.61 -2.21 0.00 0.00 174.62 172.97 1nfq n GLY 229 N 2.00 0.85 3.74 6.08 0.00 0.42 -4.95 105.19 113.33 1nfq n GLY 229 Ca -0.17 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.08 3.39 -0.23 4.61 0.00 -1.26 -4.65 121.76 121.54 1nfq s ALA 230 Ca 0.00 -1.40 -0.14 0.00 0.00 0.00 0.00 51.96 50.43 1nfq s ALA 230 Cb 0.00 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 1nfq s ALA 230 CO 0.00 0.38 0.30 -1.21 0.00 0.00 0.00 175.76 175.24 1nfq s GLU 231 N -3.36 4.11 -0.30 0.00 2.02 -1.26 -1.56 118.70 118.35 1nfq s GLU 231 Ca 0.30 -0.00 -0.05 0.00 0.02 0.00 0.00 54.97 55.24 1nfq s GLU 231 Cb -0.09 -3.55 0.02 0.00 0.10 0.00 0.00 34.13 30.61 1nfq s GLU 231 CO 0.22 -0.03 0.06 -0.06 0.02 0.00 0.00 175.26 175.46 1nfq s PHE 232 N 1.32 3.17 -0.13 1.61 0.40 0.40 -4.99 117.98 119.76 1nfq s PHE 232 Ca 0.14 -1.26 -0.16 0.00 -0.60 0.00 0.00 56.93 55.05 1nfq s PHE 232 Cb -0.14 -2.22 -0.04 0.00 0.51 0.00 0.00 43.02 41.12 1nfq s PHE 232 CO 0.07 -0.66 0.37 0.08 0.70 0.00 0.00 175.22 175.78 1nfq s VAL 233 N 1.43 5.24 -0.45 -0.44 1.01 -1.26 -0.63 120.40 125.30 1nfq s VAL 233 Ca 0.00 0.73 0.06 0.00 0.00 0.00 0.00 61.98 62.77 1nfq s VAL 233 Cb -0.18 -3.71 0.21 0.00 0.00 0.00 0.00 36.38 32.69 1nfq s VAL 233 CO 0.01 0.38 0.45 0.55 0.00 0.00 0.00 175.10 176.49 1nfq n VAL 234 N 3.50 -0.49 -0.96 2.92 3.14 -0.84 -4.93 118.33 120.68 1nfq n VAL 234 Ca -0.10 -3.91 0.04 0.00 -2.96 0.00 0.00 64.34 57.41 1nfq n VAL 234 Cb 0.52 -1.85 0.06 0.00 -1.06 0.00 0.00 33.84 31.51 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 2.08 1.53 -0.79 6.55 5.75 -1.26 -2.19 116.55 128.23 1nfq n ASP 235 Ca 0.26 -2.35 -0.10 0.00 -0.01 0.00 0.00 54.79 52.59 1nfq n ASP 235 Cb 0.48 -0.22 -0.04 0.00 -1.03 0.00 0.00 41.12 40.31 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 -0.75 1.07 0.07 6.12 0.00 -1.26 -2.92 105.19 107.53 1nfq n GLY 236 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.52 0.55 0.47 -0.02 0.00 -1.26 -0.50 105.19 103.90 1nfq n GLY 237 Ca -0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 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 0.05 0.00 2.61 2.02 -1.67 -2.49 112.91 113.43 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 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.46 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 -5.51 0.16 0.44 3.16 0.24 -1.26 -2.61 118.33 112.95 1nfq n VAL 239 Ca -0.09 0.04 0.12 0.00 -2.04 0.00 0.00 64.34 62.37 1nfq n VAL 239 Cb 0.42 -0.69 0.24 0.00 -1.47 0.00 0.00 33.84 32.34 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 3.20 0.85 -1.94 2.33 0.00 -1.86 -3.46 119.26 118.38 1nfq h ALA 240 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 1nfq h ALA 240 Cb 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.76 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 -3.87 2.13 0.23 0.00 0.00 -1.07 -5.13 107.32 99.61 1nfq s GLY 241 Ca 0.07 -2.03 -0.16 0.00 0.00 0.00 0.00 44.72 42.60 1nfq s GLY 241 CO 0.67 -1.98 0.67 1.08 0.00 0.00 0.00 173.10 173.54 1nfq s LEU 242 N -3.65 4.26 -0.29 0.66 1.43 -1.26 -5.01 118.68 114.82 1nfq s LEU 242 Ca 0.33 1.26 -0.29 0.00 -1.03 0.00 0.00 54.13 54.41 1nfq s LEU 242 Cb 0.01 -3.64 -0.01 0.00 0.03 0.00 0.00 46.19 42.57 1nfq s LEU 242 CO 0.18 -0.02 1.59 0.00 0.23 0.00 0.00 176.35 178.33 1nfq s ALA 243 N -1.65 3.14 0.44 4.21 0.00 -1.26 -5.00 121.76 121.65 1nfq s ALA 243 Ca 0.45 0.27 0.07 0.00 0.00 0.00 0.00 51.96 52.75 1nfq s ALA 243 Cb -0.14 -3.90 -0.02 0.00 0.00 0.00 0.00 23.12 19.06 1nfq s ALA 243 CO 0.20 -2.18 0.32 -1.01 0.00 0.00 0.00 175.76 173.09 1nfq s HIS 244 N 5.57 2.45 -0.40 0.00 3.76 -1.26 -5.27 115.29 120.14 1nfq s HIS 244 Ca 0.70 -0.60 0.03 0.00 -0.15 0.00 0.00 55.06 55.05 1nfq s HIS 244 Cb -0.21 -2.05 0.03 0.00 1.11 0.00 0.00 32.58 31.45 1nfq s HIS 244 CO 0.30 -0.09 0.60 0.09 -0.85 0.00 0.00 174.74 174.79