#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gni s PHE 3 N 0.00 2.17 -1.30 6.00 2.19 -1.26 -4.90 117.98 120.89 3gni s PHE 3 Ca 0.00 0.29 -0.15 0.00 0.33 0.00 0.00 56.93 57.40 3gni s PHE 3 Cb 0.00 -3.90 0.10 0.00 -1.31 0.00 0.00 43.02 37.91 3gni s PHE 3 CO 0.00 -3.69 1.75 -0.35 1.83 0.00 0.00 175.22 174.76 3gni n PRO 4 N 6.60 3.23 -1.07 10.12 -0.04 -1.26 -5.00 135.00 147.58 3gni n PRO 4 Ca 0.16 -3.35 -0.31 0.00 -0.04 0.00 0.00 63.50 59.97 3gni n PRO 4 Cb 0.42 -3.29 0.12 0.00 -0.04 0.00 0.00 33.50 30.71 3gni n PRO 4 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3gni s PHE 5 N 3.02 2.24 0.61 0.54 0.08 -1.26 -5.05 117.98 118.16 3gni s PHE 5 Ca 0.49 1.60 -0.13 0.00 0.12 0.00 0.00 56.93 59.00 3gni s PHE 5 Cb 0.04 -3.15 -0.04 0.00 -0.57 0.00 0.00 43.02 39.31 3gni s PHE 5 CO 0.03 -2.19 1.03 0.20 -0.10 0.00 0.00 175.22 174.18 3gni s GLY 6 N -3.16 1.83 -0.25 4.36 0.00 -1.26 -5.06 107.32 103.78 3gni s GLY 6 Ca 0.63 0.09 -0.10 0.00 0.00 0.00 0.00 44.72 45.34 3gni s GLY 6 CO 0.57 0.38 0.14 0.54 0.00 0.00 0.00 173.10 174.73 3gni s LYS 7 N -4.70 3.93 -0.05 2.90 1.02 -1.26 -5.08 119.74 116.50 3gni s LYS 7 Ca 0.58 -0.34 -0.23 0.00 0.02 0.00 0.00 55.97 56.01 3gni s LYS 7 Cb -0.12 -3.51 -0.04 0.00 -0.52 0.00 0.00 37.83 33.63 3gni s LYS 7 CO 0.46 -0.06 0.67 -1.12 -0.92 0.00 0.00 175.35 174.38 3gni s SER 8 N 1.37 6.98 0.31 2.83 0.01 -1.26 -5.04 113.70 118.90 3gni s SER 8 Ca 0.07 1.18 -0.29 0.00 1.31 0.00 0.00 55.95 58.21 3gni s SER 8 Cb -0.15 -2.40 -0.10 0.00 0.21 0.00 0.00 66.02 63.58 3gni s SER 8 CO 0.06 -0.06 1.42 -2.28 0.41 0.00 0.00 173.24 172.80 3gni s HIS 9 N 0.54 2.90 -0.01 2.43 2.46 -1.26 -5.05 115.29 117.31 3gni s HIS 9 Ca 0.36 1.17 0.02 0.00 0.47 0.00 0.00 55.06 57.07 3gni s HIS 9 Cb -0.18 -3.84 -0.00 0.00 -0.13 0.00 0.00 32.58 28.42 3gni s HIS 9 CO 0.18 -2.56 -0.07 0.15 -2.47 0.00 0.00 174.74 169.97 3gni s LYS 10 N -1.26 0.58 0.69 2.88 1.02 -1.26 -5.15 119.74 117.23 3gni s LYS 10 Ca 0.55 -0.24 -0.16 0.00 0.02 0.00 0.00 55.97 56.14 3gni s LYS 10 Cb -0.43 -0.57 0.02 0.00 -0.52 0.00 0.00 37.83 36.33 3gni s LYS 10 CO 0.52 0.13 1.19 -1.54 -0.92 0.00 0.00 175.35 174.73 3gni s SER 11 N -0.08 4.59 0.31 2.83 1.04 -1.26 -4.85 113.70 116.27 3gni s SER 11 Ca 0.02 2.30 0.06 0.00 0.48 0.00 0.00 55.95 58.80 3gni s SER 11 Cb -0.04 -2.58 0.72 0.00 0.10 0.00 0.00 66.02 64.22 3gni s SER 11 CO -0.00 -2.00 1.80 -0.65 0.98 0.00 0.00 173.24 173.37 3gni h PRO 12 N 0.03 0.77 -0.39 4.02 0.11 -1.95 -1.55 132.00 133.05 3gni h PRO 12 Ca -0.48 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 3gni h PRO 12 Cb 1.29 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3gni h PRO 12 CO 0.52 0.51 0.21 0.00 -0.21 0.00 0.00 178.00 179.03 3gni h ALA 13 N 1.62 0.50 -0.08 -0.75 0.00 -1.92 -0.08 119.26 118.54 3gni h ALA 13 Ca 0.55 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.25 3gni h ALA 13 Cb 0.82 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3gni h ALA 13 CO -0.34 0.03 -0.54 -0.44 0.00 0.00 0.00 179.25 177.96 3gni h ASP 14 N 0.49 0.25 -0.30 0.00 5.19 -1.86 -1.75 116.42 118.44 3gni h ASP 14 Ca 0.14 -0.13 -0.05 0.00 -0.62 0.00 0.00 57.03 56.37 3gni h ASP 14 Cb 0.06 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.49 3gni h ASP 14 CO -0.02 0.75 0.01 0.40 -3.12 0.00 0.00 179.24 177.25 3gni h ILE 15 N 0.18 1.25 -0.29 0.35 2.04 -1.03 0.19 117.51 120.20 3gni h ILE 15 Ca 0.00 -0.92 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 3gni h ILE 15 Cb 1.01 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 3gni h ILE 15 CO 0.08 0.30 0.16 0.58 0.00 0.00 0.00 178.15 179.27 3gni h VAL 16 N 0.32 1.12 -0.05 1.67 2.07 -0.91 -1.79 116.25 118.68 3gni h VAL 16 Ca 0.09 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.32 3gni h VAL 16 Cb 0.42 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3gni h VAL 16 CO 0.01 0.12 -0.13 0.50 0.02 0.00 0.00 177.57 178.09 3gni h LYS 17 N 0.36 -0.19 -0.48 1.57 3.64 -1.31 -0.61 116.57 119.55 3gni h LYS 17 Ca 0.10 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.58 3gni h LYS 17 Cb 0.05 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.84 3gni h LYS 17 CO -0.02 -0.13 0.05 -0.91 -2.27 0.00 0.00 179.45 176.17 3gni h ASN 18 N -0.20 -0.11 -0.40 4.20 -0.26 -0.83 -1.88 115.58 116.10 3gni h ASN 18 Ca 0.06 0.10 -0.08 0.00 -0.56 0.00 0.00 56.30 55.83 3gni h ASN 18 Cb 0.28 0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.69 3gni h ASN 18 CO -0.17 -0.02 -0.06 0.25 -1.06 0.00 0.00 177.43 176.37 3gni h LEU 19 N 0.17 0.75 -0.39 1.61 5.85 -1.10 -0.32 115.31 121.88 3gni h LEU 19 Ca 0.24 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.69 3gni h LEU 19 Cb 0.35 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 3gni h LEU 19 CO -0.36 0.92 0.00 0.50 -0.34 0.00 0.00 178.44 179.16 3gni h LYS 20 N 0.57 0.11 -0.42 1.25 3.64 -0.87 0.25 116.57 121.09 3gni h LYS 20 Ca 0.11 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 3gni h LYS 20 Cb 0.57 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 3gni h LYS 20 CO 0.03 0.07 -0.20 0.93 -2.27 0.00 0.00 179.45 178.01 3gni h GLU 21 N 0.11 0.82 -0.19 1.90 5.08 -1.21 -2.57 114.58 118.51 3gni h GLU 21 Ca 0.19 -0.33 -0.19 0.00 -1.00 0.00 0.00 59.36 58.04 3gni h GLU 21 Cb 0.26 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 3gni h GLU 21 CO -0.31 0.95 -0.63 0.77 -1.00 0.00 0.00 179.01 178.79 3gni h SER 22 N 0.72 0.77 -0.62 1.42 0.02 -0.64 -3.05 113.55 112.18 3gni h SER 22 Ca 0.10 -0.45 0.01 0.00 -0.84 0.00 0.00 61.79 60.62 3gni h SER 22 Cb 0.72 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 3gni h SER 22 CO 0.06 1.21 0.40 0.24 -1.14 0.00 0.00 176.83 177.59 3gni h MET 23 N 0.50 0.78 -0.88 3.45 2.86 -0.51 -2.60 114.93 118.53 3gni h MET 23 Ca -0.01 -0.05 0.13 0.00 -2.06 0.00 0.00 59.70 57.71 3gni h MET 23 Cb 1.21 -0.18 -0.07 0.00 0.06 0.00 0.00 31.60 32.63 3gni h MET 23 CO 0.12 0.52 0.57 0.00 1.06 0.00 0.00 176.91 179.18 3gni h ALA 24 N 1.24 1.78 -0.09 6.32 0.00 -1.44 -2.02 119.26 125.05 3gni h ALA 24 Ca 0.23 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3gni h ALA 24 Cb -0.05 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3gni h ALA 24 CO -0.07 -0.01 -0.01 0.28 0.00 0.00 0.00 179.25 179.44 3gni h VAL 25 N 0.73 1.27 -0.16 0.00 2.07 -1.37 -3.19 116.25 115.61 3gni h VAL 25 Ca 0.43 -0.87 0.05 0.00 0.82 0.00 0.00 66.70 67.13 3gni h VAL 25 Cb 0.63 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 3gni h VAL 25 CO -0.19 0.24 0.12 -0.07 0.02 0.00 0.00 177.57 177.68 3gni h LEU 26 N -0.14 0.00 -1.01 2.57 3.38 -1.08 -2.15 115.31 116.88 3gni h LEU 26 Ca 0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3gni h LEU 26 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3gni h LEU 26 CO 0.01 0.00 -0.36 -0.33 0.09 0.00 0.00 178.44 177.85 3gni h GLU 27 N 0.00 0.00 -6.66 1.13 5.08 -1.37 -3.44 114.58 109.33 3gni h GLU 27 Ca 0.08 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.92 3gni h GLU 27 Cb 0.31 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.57 3gni h GLU 27 CO -0.00 0.36 0.50 0.15 -1.00 0.00 0.00 179.01 179.02 3gni s LYS 28 N -3.68 4.56 0.02 2.33 1.02 -0.81 -4.98 119.74 118.20 3gni s LYS 28 Ca -0.00 1.77 -0.18 0.00 0.02 0.00 0.00 55.97 57.58 3gni s LYS 28 Cb 0.11 -3.27 -0.31 0.00 -0.52 0.00 0.00 37.83 33.85 3gni s LYS 28 CO 0.68 0.02 1.03 1.96 -0.92 0.00 0.00 175.35 178.12 3gni h GLN 29 N 5.14 0.50 -3.07 1.68 4.20 -1.85 -3.42 115.11 118.29 3gni h GLN 29 Ca -0.44 -0.73 -0.77 0.00 0.06 0.00 0.00 58.65 56.77 3gni h GLN 29 Cb 1.21 0.25 -0.18 0.00 0.30 0.00 0.00 27.48 29.07 3gni h GLN 29 CO 0.73 1.33 1.81 -3.47 -0.67 0.00 0.00 178.83 178.55 3gni n ASP 30 N -3.91 6.23 -4.06 1.46 2.03 -1.26 -4.88 116.55 112.16 3gni n ASP 30 Ca -0.14 -3.22 -0.12 0.00 0.52 0.00 0.00 54.79 51.83 3gni n ASP 30 Cb 0.93 -1.39 -0.11 0.00 -0.72 0.00 0.00 41.12 39.84 3gni n ASP 30 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3gni s ILE 31 N -0.98 0.48 0.80 5.18 -4.36 -1.26 -5.15 121.20 115.92 3gni s ILE 31 Ca 0.41 -1.16 -0.13 0.00 -0.26 0.00 0.00 60.65 59.52 3gni s ILE 31 Cb 0.12 -0.68 0.08 0.00 1.25 0.00 0.00 42.46 43.22 3gni s ILE 31 CO -0.01 -0.46 1.17 -0.94 0.24 0.00 0.00 174.94 174.94 3gni s SER 32 N -1.74 3.74 0.32 4.36 1.04 -1.26 -4.80 113.70 115.36 3gni s SER 32 Ca -0.08 2.24 0.03 0.00 0.48 0.00 0.00 55.95 58.62 3gni s SER 32 Cb -0.08 -2.57 0.61 0.00 0.10 0.00 0.00 66.02 64.07 3gni s SER 32 CO -0.01 -2.56 1.92 0.44 0.98 0.00 0.00 173.24 174.01 3gni h ASP 33 N -0.98 0.82 -0.36 7.02 3.32 -1.99 -1.54 116.42 122.72 3gni h ASP 33 Ca -0.45 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.48 3gni h ASP 33 Cb 1.28 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 3gni h ASP 33 CO 0.47 0.52 -0.24 0.11 -1.72 0.00 0.00 179.24 178.38 3gni h LYS 34 N 0.93 0.80 -0.89 3.56 1.79 -1.98 -0.24 116.57 120.55 3gni h LYS 34 Ca 0.37 -0.38 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 3gni h LYS 34 Cb 0.25 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.85 3gni h LYS 34 CO -0.14 1.01 0.47 -0.22 -1.08 0.00 0.00 179.45 179.49 3gni h LYS 35 N 0.60 1.26 -0.47 3.15 3.64 -1.83 0.13 116.57 123.04 3gni h LYS 35 Ca 0.07 -0.16 -0.11 0.00 -1.27 0.00 0.00 60.65 59.18 3gni h LYS 35 Cb 0.80 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 3gni h LYS 35 CO 0.07 0.93 -0.15 0.00 -2.27 0.00 0.00 179.45 178.02 3gni h ALA 36 N 1.26 0.66 -0.26 5.00 0.00 -1.19 -2.04 119.26 122.68 3gni h ALA 36 Ca 0.31 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3gni h ALA 36 Cb 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3gni h ALA 36 CO -0.05 0.59 0.13 1.49 0.00 0.00 0.00 179.25 181.41 3gni h GLU 37 N 0.79 0.38 -0.32 0.00 4.81 -0.80 0.59 114.58 120.03 3gni h GLU 37 Ca 0.11 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 3gni h GLU 37 Cb 0.72 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.99 3gni h GLU 37 CO 0.05 0.37 0.11 -0.22 -0.73 0.00 0.00 179.01 178.59 3gni h LYS 38 N 0.29 0.23 -0.41 1.92 3.64 -0.69 -0.88 116.57 120.67 3gni h LYS 38 Ca 0.09 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.36 3gni h LYS 38 Cb 0.12 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3gni h LYS 38 CO -0.01 0.15 -0.13 0.00 -2.27 0.00 0.00 179.45 177.19 3gni h ALA 39 N 1.21 1.00 -0.12 5.00 0.00 -1.22 -1.40 119.26 123.72 3gni h ALA 39 Ca 0.14 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.75 3gni h ALA 39 Cb 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3gni h ALA 39 CO -0.15 0.60 -0.03 1.15 0.00 0.00 0.00 179.25 180.82 3gni h THR 40 N 0.67 0.88 -0.92 0.00 2.02 -0.48 -0.74 112.91 114.34 3gni h THR 40 Ca 0.11 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 3gni h THR 40 Cb 0.61 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.86 3gni h THR 40 CO 0.04 0.00 0.53 -0.33 0.37 0.00 0.00 175.52 176.13 3gni h GLU 41 N 0.00 1.26 -0.19 6.66 4.39 -0.94 -2.40 114.58 123.37 3gni h GLU 41 Ca 0.06 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 3gni h GLU 41 Cb 0.08 -0.26 -0.00 0.00 -0.10 0.00 0.00 28.75 28.48 3gni h GLU 41 CO -0.12 0.90 -0.13 0.93 -1.16 0.00 0.00 179.01 179.43 3gni h GLU 42 N 1.27 0.43 -0.09 2.33 5.08 -1.06 -2.09 114.58 120.46 3gni h GLU 42 Ca 0.33 -0.20 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 3gni h GLU 42 Cb -0.01 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.18 3gni h GLU 42 CO -0.06 0.75 -0.30 0.28 -1.00 0.00 0.00 179.01 178.68 3gni h VAL 43 N 0.11 0.32 -0.62 3.13 2.07 -1.11 -1.11 116.25 119.04 3gni h VAL 43 Ca 0.04 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.69 3gni h VAL 43 Cb 0.64 0.32 -0.10 0.00 -1.52 0.00 0.00 31.29 30.63 3gni h VAL 43 CO 0.04 0.00 0.03 -1.28 0.02 0.00 0.00 177.57 176.37 3gni h SER 44 N -0.40 -0.22 -0.05 0.57 0.87 -1.40 -0.75 113.55 112.16 3gni h SER 44 Ca 0.09 0.15 -0.19 0.00 -1.23 0.00 0.00 61.79 60.60 3gni h SER 44 Cb 0.53 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 3gni h SER 44 CO -0.32 -0.10 -0.66 0.11 -0.53 0.00 0.00 176.83 175.34 3gni h LYS 45 N 0.14 0.68 -0.52 2.24 1.57 -1.04 -1.94 116.57 117.70 3gni h LYS 45 Ca 0.33 -0.49 -0.05 0.00 -1.87 0.00 0.00 60.65 58.56 3gni h LYS 45 Cb 0.53 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 3gni h LYS 45 CO -0.51 1.11 0.12 -0.91 -0.57 0.00 0.00 179.45 178.69 3gni h ASN 46 N 0.49 0.79 -0.56 0.86 2.35 -0.93 -1.54 115.58 117.04 3gni h ASN 46 Ca -0.02 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.46 3gni h ASN 46 Cb 1.26 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.39 3gni h ASN 46 CO 0.13 0.82 0.23 -0.07 -1.65 0.00 0.00 177.43 176.89 3gni h LEU 47 N 0.72 0.78 -0.65 1.61 3.38 -1.08 0.16 115.31 120.22 3gni h LEU 47 Ca 0.16 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.99 3gni h LEU 47 Cb 0.34 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3gni h LEU 47 CO 0.00 0.73 0.41 0.58 0.09 0.00 0.00 178.44 180.25 3gni h VAL 48 N 0.77 1.09 -0.83 1.22 2.07 -1.29 -1.35 116.25 117.92 3gni h VAL 48 Ca 0.19 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3gni h VAL 48 Cb 0.20 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 3gni h VAL 48 CO -0.02 0.15 0.47 0.00 0.02 0.00 0.00 177.57 178.19 3gni h ALA 49 N 1.28 1.06 -0.05 1.67 0.00 -0.87 -1.76 119.26 120.59 3gni h ALA 49 Ca 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3gni h ALA 49 Cb 0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 3gni h ALA 49 CO -0.10 0.56 -0.01 0.52 0.00 0.00 0.00 179.25 180.21 3gni h MET 50 N 1.15 0.09 -0.73 0.00 2.07 -0.73 -2.35 114.93 114.44 3gni h MET 50 Ca 0.29 -0.04 0.16 0.00 -2.07 0.00 0.00 59.70 58.05 3gni h MET 50 Cb 0.01 -0.01 -0.11 0.00 -1.87 0.00 0.00 31.60 29.62 3gni h MET 50 CO -0.05 0.44 0.15 -0.22 1.07 0.00 0.00 176.91 178.30 3gni h LYS 51 N -0.26 0.24 0.00 1.72 3.64 -1.21 -2.21 116.57 118.49 3gni h LYS 51 Ca 0.01 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 3gni h LYS 51 Cb 0.40 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3gni h LYS 51 CO 0.00 0.16 -0.46 0.93 -2.27 0.00 0.00 179.45 177.81 3gni h GLU 52 N 0.24 0.00 -0.42 1.90 5.08 -1.15 0.54 114.58 120.78 3gni h GLU 52 Ca 0.41 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.69 3gni h GLU 52 Cb 0.70 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 3gni h GLU 52 CO -0.52 0.46 -0.06 0.82 -1.00 0.00 0.00 179.01 178.71 3gni h ILE 53 N 0.00 1.24 0.15 3.13 2.04 -0.87 0.13 117.51 123.34 3gni h ILE 53 Ca -0.00 -1.06 -0.35 0.00 1.00 0.00 0.00 64.86 64.45 3gni h ILE 53 Cb 0.85 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 3gni h ILE 53 CO 0.06 0.36 -1.84 -0.07 0.00 0.00 0.00 178.15 176.66 3gni h LEU 54 N 0.67 0.49 0.00 1.44 3.38 -0.87 -3.38 115.31 117.04 3gni h LEU 54 Ca 0.12 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.22 3gni h LEU 54 Cb 0.50 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3gni h LEU 54 CO 0.03 1.76 -1.55 -1.22 0.09 0.00 0.00 178.44 177.55 3gni n TYR 55 N -3.51 0.13 -4.32 1.13 4.02 0.13 -4.70 117.16 110.04 3gni n TYR 55 Ca -0.27 0.04 0.00 0.00 -0.01 0.00 0.00 57.90 57.66 3gni n TYR 55 Cb 1.06 -0.43 0.00 0.00 -0.02 0.00 0.00 39.34 39.95 3gni n TYR 55 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3gni n GLY 56 N 1.32 -0.06 0.00 2.72 0.00 0.46 -4.23 105.19 105.40 3gni n GLY 56 Ca -0.01 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.03 3gni n GLY 56 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gni n THR 57 N 0.00 0.00 0.41 2.61 -2.24 0.21 -4.56 114.28 110.71 3gni n THR 57 Ca 0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 3gni n THR 57 Cb 0.00 0.00 0.50 0.00 -2.10 0.00 0.00 70.33 68.73 3gni n THR 57 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 3gni h ASN 58 N 0.00 0.00 0.00 3.42 -1.24 -2.01 -3.32 115.58 112.44 3gni h ASN 58 Ca 0.00 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.75 3gni h ASN 58 Cb 0.00 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.00 3gni h ASN 58 CO 0.00 0.00 -1.97 -0.62 -1.29 0.00 0.00 177.43 173.55 3gni n GLU 59 N -2.40 0.51 -5.15 6.67 -0.58 -1.26 -5.02 120.64 113.41 3gni n GLU 59 Ca 0.02 0.09 -0.32 0.00 -0.42 0.00 0.00 57.16 56.54 3gni n GLU 59 Cb 0.28 -1.34 -0.15 0.00 -0.57 0.00 0.00 31.44 29.66 3gni n GLU 59 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3gni s LYS 60 N -2.34 2.27 0.34 3.49 -0.14 -1.25 -5.14 119.74 116.96 3gni s LYS 60 Ca -0.22 -0.84 -0.05 0.00 -1.36 0.00 0.00 55.97 53.50 3gni s LYS 60 Cb 0.06 -2.17 -0.05 0.00 -1.68 0.00 0.00 37.83 33.99 3gni s LYS 60 CO 0.40 0.58 0.61 -1.83 -0.76 0.00 0.00 175.35 174.36 3gni s GLU 61 N -0.64 3.62 0.31 1.68 -1.05 -1.26 0.67 118.70 122.02 3gni s GLU 61 Ca 0.10 0.04 -0.29 0.00 -0.15 0.00 0.00 54.97 54.67 3gni s GLU 61 Cb -0.10 -2.58 -0.11 0.00 -0.44 0.00 0.00 34.13 30.90 3gni s GLU 61 CO -0.00 0.12 1.46 -1.25 0.95 0.00 0.00 175.26 176.53 3gni s PRO 62 N -3.86 4.21 -0.18 -4.83 0.04 -1.26 -4.80 135.00 124.32 3gni s PRO 62 Ca 0.45 2.42 -0.08 0.00 0.04 0.00 0.00 61.00 63.82 3gni s PRO 62 Cb -0.10 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 3gni s PRO 62 CO 0.33 -0.45 0.09 1.14 0.04 0.00 0.00 177.00 178.15 3gni s GLN 63 N -1.14 4.00 0.31 4.56 -2.07 -1.26 -5.01 119.66 119.05 3gni s GLN 63 Ca 0.56 -0.28 0.02 0.00 -1.82 0.00 0.00 55.36 53.85 3gni s GLN 63 Cb -0.44 -3.28 0.59 0.00 -1.09 0.00 0.00 33.01 28.79 3gni s GLN 63 CO 0.51 0.34 1.91 1.79 -1.32 0.00 0.00 175.29 178.52 3gni h THR 64 N 4.70 1.03 0.15 3.63 1.35 -1.95 -2.12 112.91 119.70 3gni h THR 64 Ca -0.40 -0.33 -0.00 0.00 -0.55 0.00 0.00 66.41 65.13 3gni h THR 64 Cb 1.17 -0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.57 3gni h THR 64 CO 0.71 0.17 -0.11 -0.33 -0.25 0.00 0.00 175.52 175.72 3gni h GLU 65 N 0.95 -0.25 -0.78 4.72 5.08 -1.98 0.48 114.58 122.80 3gni h GLU 65 Ca 0.39 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.80 3gni h GLU 65 Cb 0.27 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 3gni h GLU 65 CO -0.15 -0.17 0.49 0.00 -1.00 0.00 0.00 179.01 178.19 3gni h ALA 66 N 0.58 1.02 -0.50 3.43 0.00 -1.80 -1.15 119.26 120.84 3gni h ALA 66 Ca -0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3gni h ALA 66 Cb 0.23 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3gni h ALA 66 CO 0.00 0.30 0.12 0.28 0.00 0.00 0.00 179.25 179.95 3gni h VAL 67 N 0.96 1.24 -0.30 0.00 2.07 -1.17 -1.76 116.25 117.29 3gni h VAL 67 Ca 0.31 -0.85 -0.15 0.00 0.82 0.00 0.00 66.70 66.84 3gni h VAL 67 Cb 0.01 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3gni h VAL 67 CO -0.11 0.31 -0.41 0.00 0.02 0.00 0.00 177.57 177.37 3gni h ALA 68 N 0.99 0.70 -0.45 1.67 0.00 -0.64 -0.58 119.26 120.96 3gni h ALA 68 Ca 0.16 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3gni h ALA 68 Cb 0.33 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3gni h ALA 68 CO 0.00 0.67 0.22 1.96 0.00 0.00 0.00 179.25 182.10 3gni h GLN 69 N 0.60 0.65 0.19 0.00 4.20 -1.16 -2.46 115.11 117.12 3gni h GLN 69 Ca 0.05 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 3gni h GLN 69 Cb 0.96 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.63 3gni h GLN 69 CO 0.09 0.55 -0.09 1.25 -0.67 0.00 0.00 178.83 179.96 3gni h LEU 70 N 0.59 -0.22 -0.35 1.46 5.85 -1.07 -1.15 115.31 120.42 3gni h LEU 70 Ca 0.16 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.78 3gni h LEU 70 Cb 0.12 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 3gni h LEU 70 CO -0.02 0.02 0.09 0.00 -0.34 0.00 0.00 178.44 178.19 3gni h ALA 71 N 0.31 0.39 -0.14 1.25 0.00 -1.16 0.19 119.26 120.10 3gni h ALA 71 Ca -0.03 0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3gni h ALA 71 Cb 0.35 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 3gni h ALA 71 CO 0.04 -0.31 -0.23 0.37 0.00 0.00 0.00 179.25 179.13 3gni h GLN 72 N 0.22 -0.27 -0.60 0.00 5.75 -1.39 -0.92 115.11 117.90 3gni h GLN 72 Ca 0.16 0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.70 3gni h GLN 72 Cb 0.17 0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.74 3gni h GLN 72 CO -0.20 -0.18 0.38 0.93 -2.65 0.00 0.00 178.83 177.11 3gni h GLU 73 N -0.28 0.73 -0.83 1.69 4.39 -0.71 -1.43 114.58 118.14 3gni h GLU 73 Ca 0.10 -0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.82 3gni h GLU 73 Cb 0.44 -0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 28.86 3gni h GLU 73 CO -0.30 0.48 0.51 -0.07 -1.16 0.00 0.00 179.01 178.47 3gni h LEU 74 N 0.75 0.80 -0.36 1.33 3.38 -0.16 -1.92 115.31 119.13 3gni h LEU 74 Ca 0.24 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.08 3gni h LEU 74 Cb -0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3gni h LEU 74 CO -0.09 0.52 -0.34 1.88 0.09 0.00 0.00 178.44 180.50 3gni h TYR 75 N 0.94 1.04 0.00 1.13 0.05 -0.62 -3.05 116.97 116.46 3gni h TYR 75 Ca 0.36 -0.31 -0.10 0.00 0.05 0.00 0.00 58.73 58.73 3gni h TYR 75 Cb 0.16 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 3gni h TYR 75 CO -0.04 1.11 -0.46 -0.91 -1.05 0.00 0.00 178.16 176.81 3gni h ASN 76 N 0.67 0.00 1.10 3.88 4.21 -1.03 -3.24 115.58 121.17 3gni h ASN 76 Ca 0.06 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.57 3gni h ASN 76 Cb 0.92 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.12 3gni h ASN 76 CO 0.09 0.46 -0.75 0.77 -1.29 0.00 0.00 177.43 176.71 3gni h SER 77 N 0.00 0.00 -0.31 5.81 4.64 -1.36 -3.48 113.55 118.86 3gni h SER 77 Ca -0.00 -0.06 -0.13 0.00 -0.47 0.00 0.00 61.79 61.13 3gni h SER 77 Cb 0.87 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.91 3gni h SER 77 CO 0.06 0.03 -0.12 0.61 -0.87 0.00 0.00 176.83 176.54 3gni n GLY 78 N 1.21 0.85 0.15 -0.77 0.00 -1.16 -4.92 105.19 100.55 3gni n GLY 78 Ca 0.01 -0.77 0.01 0.00 0.00 0.00 0.00 46.02 45.28 3gni n GLY 78 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3gni h LEU 79 N 0.00 0.00 -1.69 0.99 5.85 -1.88 -1.72 115.31 116.86 3gni h LEU 79 Ca -0.13 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.60 3gni h LEU 79 Cb 0.42 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3gni h LEU 79 CO 0.19 0.56 0.21 -0.07 -0.34 0.00 0.00 178.44 178.99 3gni h LEU 80 N 0.00 0.36 0.08 2.25 4.07 -1.92 0.12 115.31 120.27 3gni h LEU 80 Ca -0.01 -0.01 -0.13 0.00 0.08 0.00 0.00 57.88 57.82 3gni h LEU 80 Cb 1.17 -0.09 0.01 0.00 1.08 0.00 0.00 40.66 42.84 3gni h LEU 80 CO 0.07 0.26 -0.54 -1.28 -1.08 0.00 0.00 178.44 175.87 3gni h SER 81 N 0.42 0.33 -0.90 -0.43 0.87 -1.81 -3.28 113.55 108.75 3gni h SER 81 Ca 0.12 -0.94 -0.01 0.00 -1.23 0.00 0.00 61.79 59.73 3gni h SER 81 Cb -0.03 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 61.78 3gni h SER 81 CO -0.03 1.24 0.51 0.74 -0.53 0.00 0.00 176.83 178.76 3gni h THR 82 N -0.53 1.26 -0.22 2.23 2.02 -0.99 0.18 112.91 116.86 3gni h THR 82 Ca -0.09 -0.62 -0.15 0.00 0.77 0.00 0.00 66.41 66.32 3gni h THR 82 Cb 1.40 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 3gni h THR 82 CO 0.10 0.28 -0.49 -0.07 0.37 0.00 0.00 175.52 175.71 3gni h LEU 83 N 1.26 0.66 -0.16 2.58 3.38 -0.94 -0.23 115.31 121.86 3gni h LEU 83 Ca 0.32 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3gni h LEU 83 Cb 0.00 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3gni h LEU 83 CO -0.05 1.04 -0.17 0.58 0.09 0.00 0.00 178.44 179.93 3gni h VAL 84 N 0.48 1.35 -0.14 1.22 2.07 -1.56 -1.33 116.25 118.33 3gni h VAL 84 Ca 0.02 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 66.17 3gni h VAL 84 Cb 1.03 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 3gni h VAL 84 CO 0.10 0.40 -0.05 0.00 0.02 0.00 0.00 177.57 178.04 3gni h ALA 85 N 0.61 1.66 -0.31 1.67 0.00 -0.81 -2.92 119.26 119.15 3gni h ALA 85 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3gni h ALA 85 Cb 0.71 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3gni h ALA 85 CO 0.04 0.25 0.00 -0.25 0.00 0.00 0.00 179.25 179.29 3gni n ASP 86 N -4.37 2.85 -0.35 0.00 8.00 -0.11 -4.70 116.55 117.87 3gni n ASP 86 Ca -0.01 -1.90 0.28 0.00 0.71 0.00 0.00 54.79 53.87 3gni n ASP 86 Cb 0.20 -0.21 0.53 0.00 -0.02 0.00 0.00 41.12 41.62 3gni n ASP 86 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3gni h LEU 87 N 2.37 0.43 -2.59 0.64 5.85 -1.03 0.32 115.31 121.30 3gni h LEU 87 Ca 0.00 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 3gni h LEU 87 Cb 0.72 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 3gni h LEU 87 CO 0.00 -0.20 -0.01 -0.61 -0.34 0.00 0.00 178.44 177.28 3gni h GLN 88 N 0.22 0.00 -0.00 1.25 4.15 -1.85 -2.56 115.11 116.32 3gni h GLN 88 Ca 0.77 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.19 3gni h GLN 88 Cb 1.93 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.62 3gni h GLN 88 CO -0.60 0.01 -0.23 1.28 -1.93 0.00 0.00 178.83 177.36 3gni n LEU 89 N -3.44 0.62 -4.91 -2.39 4.77 0.11 -4.89 117.00 106.87 3gni n LEU 89 Ca -0.03 -0.04 -0.31 0.00 -0.03 0.00 0.00 56.01 55.61 3gni n LEU 89 Cb 0.11 -0.20 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 3gni n LEU 89 CO 0.24 0.12 -0.01 -0.63 -1.33 0.00 0.00 177.39 175.79 3gni s ILE 90 N -2.64 5.22 0.97 -0.08 1.01 -0.97 -5.02 121.20 119.69 3gni s ILE 90 Ca 0.22 -0.12 -0.11 0.00 0.00 0.00 0.00 60.65 60.64 3gni s ILE 90 Cb 0.19 -3.64 0.17 0.00 0.01 0.00 0.00 42.46 39.19 3gni s ILE 90 CO 0.54 0.03 1.09 1.51 0.00 0.00 0.00 174.94 178.11 3gni s ASP 91 N -2.57 2.65 0.20 3.58 1.47 -1.26 -4.72 116.67 116.03 3gni s ASP 91 Ca 0.39 1.78 -0.15 0.00 1.18 0.00 0.00 52.55 55.75 3gni s ASP 91 Cb -0.12 -2.38 0.21 0.00 -0.34 0.00 0.00 42.92 40.28 3gni s ASP 91 CO 0.26 -3.20 1.62 0.15 0.68 0.00 0.00 175.17 174.68 3gni h PHE 92 N -1.93 -0.47 0.00 2.11 3.57 -1.98 -1.20 116.94 117.03 3gni h PHE 92 Ca -0.50 0.06 -0.20 0.00 3.53 0.00 0.00 57.97 60.86 3gni h PHE 92 Cb 1.29 0.30 -0.03 0.00 2.79 0.00 0.00 35.95 40.30 3gni h PHE 92 CO 0.42 -0.30 -0.96 0.93 -2.23 0.00 0.00 178.31 176.17 3gni h GLU 93 N -0.05 0.01 -0.21 1.11 4.39 -2.00 -3.14 114.58 114.69 3gni h GLU 93 Ca 0.28 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.87 3gni h GLU 93 Cb 0.48 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 3gni h GLU 93 CO -0.65 0.96 -0.29 0.78 -1.16 0.00 0.00 179.01 178.66 3gni h GLY 94 N 2.81 0.44 1.10 -3.84 0.00 -1.84 -1.11 103.07 100.64 3gni h GLY 94 Ca -0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 3gni h GLY 94 CO 0.13 0.34 0.44 0.50 0.00 0.00 0.00 176.54 177.94 3gni h LYS 95 N 0.36 1.18 -0.28 4.80 1.57 -1.19 0.19 116.57 123.20 3gni h LYS 95 Ca 0.05 -0.15 -0.16 0.00 -1.87 0.00 0.00 60.65 58.53 3gni h LYS 95 Cb 0.69 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3gni h LYS 95 CO 0.05 0.87 -0.46 0.87 -0.57 0.00 0.00 179.45 180.21 3gni h LYS 96 N 1.18 0.73 -0.89 3.15 1.57 -1.51 -2.84 116.57 117.96 3gni h LYS 96 Ca 0.29 -0.42 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3gni h LYS 96 Cb 0.05 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 3gni h LYS 96 CO -0.04 1.04 0.55 -0.44 -0.57 0.00 0.00 179.45 179.98 3gni h ASP 97 N 0.59 1.06 0.04 0.86 3.32 -0.68 -2.05 116.42 119.57 3gni h ASP 97 Ca 0.03 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.03 3gni h ASP 97 Cb 1.02 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 3gni h ASP 97 CO 0.10 0.81 -0.07 0.58 -1.72 0.00 0.00 179.24 178.94 3gni h VAL 98 N 1.22 0.83 -0.52 -1.35 2.07 -0.55 -0.83 116.25 117.12 3gni h VAL 98 Ca 0.32 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.95 3gni h VAL 98 Cb -0.07 0.83 -0.09 0.00 -1.52 0.00 0.00 31.29 30.44 3gni h VAL 98 CO -0.06 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.49 3gni h ALA 99 N 0.81 0.46 -0.21 1.67 0.00 -1.41 -0.14 119.26 120.43 3gni h ALA 99 Ca 0.01 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3gni h ALA 99 Cb 0.15 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3gni h ALA 99 CO -0.04 -0.40 0.06 1.96 0.00 0.00 0.00 179.25 180.83 3gni h GLN 100 N 0.08 0.33 -0.46 0.00 4.20 -1.10 -0.78 115.11 117.38 3gni h GLN 100 Ca 0.26 -0.07 0.06 0.00 0.06 0.00 0.00 58.65 58.96 3gni h GLN 100 Cb 0.40 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.09 3gni h GLN 100 CO -0.47 0.43 0.16 0.82 -0.67 0.00 0.00 178.83 179.11 3gni h ILE 101 N 0.16 0.84 -0.04 2.54 2.04 -0.92 -1.85 117.51 120.28 3gni h ILE 101 Ca 0.07 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 3gni h ILE 101 Cb 0.24 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3gni h ILE 101 CO -0.00 0.06 0.02 0.15 0.00 0.00 0.00 178.15 178.37 3gni h PHE 102 N 0.33 0.06 -0.94 1.37 3.04 -0.89 -1.89 116.94 118.01 3gni h PHE 102 Ca 0.22 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.18 3gni h PHE 102 Cb 0.22 -0.02 -0.05 0.00 2.56 0.00 0.00 35.95 38.67 3gni h PHE 102 CO -0.16 0.20 0.62 -0.91 -2.02 0.00 0.00 178.31 176.04 3gni h ASN 103 N -0.10 1.06 -0.17 0.41 4.21 -1.06 -1.17 115.58 118.75 3gni h ASN 103 Ca 0.01 -0.02 -0.12 0.00 1.21 0.00 0.00 56.30 57.38 3gni h ASN 103 Cb 0.17 -0.26 0.00 0.00 -1.12 0.00 0.00 38.32 37.11 3gni h ASN 103 CO -0.00 0.75 -0.36 -1.13 -1.29 0.00 0.00 177.43 175.40 3gni h ASN 104 N 1.24 0.62 -0.41 5.81 -0.73 -1.16 -2.60 115.58 118.35 3gni h ASN 104 Ca 0.36 -0.56 0.02 0.00 1.87 0.00 0.00 56.30 57.99 3gni h ASN 104 Cb -0.08 -0.18 -0.03 0.00 0.27 0.00 0.00 38.32 38.30 3gni h ASN 104 CO -0.09 1.06 0.23 0.40 -0.37 0.00 0.00 177.43 178.66 3gni h ILE 105 N 0.20 1.02 -0.55 2.57 1.08 -1.25 -2.99 117.51 117.59 3gni h ILE 105 Ca 0.00 -0.16 0.03 0.00 -0.39 0.00 0.00 64.86 64.34 3gni h ILE 105 Cb 0.96 0.52 -0.03 0.00 -3.07 0.00 0.00 36.82 35.20 3gni h ILE 105 CO 0.08 0.09 0.37 0.25 -0.69 0.00 0.00 178.15 178.24 3gni h LEU 106 N 0.47 0.56 0.00 1.44 5.85 -1.17 0.23 115.31 122.69 3gni h LEU 106 Ca 0.17 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3gni h LEU 106 Cb 0.03 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.93 3gni h LEU 106 CO -0.09 0.39 0.00 0.54 -0.34 0.00 0.00 178.44 178.94 3gni n ARG 107 N -4.47 0.32 -1.95 1.25 1.74 -0.99 -4.70 116.66 107.87 3gni n ARG 107 Ca 0.06 0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.74 3gni n ARG 107 Cb 0.13 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.05 3gni n ARG 107 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3gni s ARG 108 N -2.68 4.23 -0.20 5.56 3.52 0.07 -4.98 118.95 124.47 3gni s ARG 108 Ca 0.25 2.38 -0.04 0.00 -0.13 0.00 0.00 55.73 58.18 3gni s ARG 108 Cb 0.20 -3.08 0.09 0.00 -1.56 0.00 0.00 34.95 30.59 3gni s ARG 108 CO 0.47 -0.47 0.18 -1.14 -0.81 0.00 0.00 175.30 173.54 3gni s GLN 109 N -0.54 0.16 -0.50 5.12 0.74 -1.26 -4.03 119.66 119.34 3gni s GLN 109 Ca 0.60 0.09 -0.16 0.00 0.05 0.00 0.00 55.36 55.94 3gni s GLN 109 Cb -0.43 -1.38 0.10 0.00 1.10 0.00 0.00 33.01 32.40 3gni s GLN 109 CO 0.46 -0.68 0.44 0.42 -0.55 0.00 0.00 175.29 175.38 3gni s ILE 110 N 2.27 5.21 0.00 -2.34 1.01 -0.95 -4.95 121.20 121.45 3gni s ILE 110 Ca 0.06 -1.27 0.00 0.00 0.00 0.00 0.00 60.65 59.43 3gni s ILE 110 Cb -0.16 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.09 3gni s ILE 110 CO -0.12 -0.71 0.00 0.61 0.00 0.00 0.00 174.94 174.71 3gni n GLY 111 N 5.22 2.20 0.14 6.18 0.00 -1.26 -2.26 105.19 115.41 3gni n GLY 111 Ca -0.13 -0.35 0.04 0.00 0.00 0.00 0.00 46.02 45.58 3gni n GLY 111 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3gni h THR 112 N 0.00 0.58 -4.19 2.61 2.02 -2.03 -3.47 112.91 108.43 3gni h THR 112 Ca 0.00 -1.89 -0.50 0.00 0.77 0.00 0.00 66.41 64.79 3gni h THR 112 Cb 0.00 2.20 0.09 0.00 -1.74 0.00 0.00 68.15 68.70 3gni h THR 112 CO 0.00 0.33 0.38 -0.13 0.37 0.00 0.00 175.52 176.47 3gni s ARG 113 N -3.02 2.96 -0.43 6.66 0.52 -0.96 -5.04 118.95 119.64 3gni s ARG 113 Ca 0.03 1.36 0.02 0.00 -0.52 0.00 0.00 55.73 56.62 3gni s ARG 113 Cb 0.08 -1.97 0.14 0.00 0.52 0.00 0.00 34.95 33.72 3gni s ARG 113 CO 0.75 -1.12 0.26 -0.08 0.02 0.00 0.00 175.30 175.13 3gni s THR 114 N -2.32 0.97 0.59 0.02 -1.32 -1.26 -2.24 115.64 110.07 3gni s THR 114 Ca 0.67 -2.42 0.30 0.00 -1.21 0.00 0.00 61.69 59.03 3gni s THR 114 Cb -0.20 -1.68 0.35 0.00 -1.51 0.00 0.00 72.50 69.47 3gni s THR 114 CO 0.39 -0.98 2.25 -0.65 -2.21 0.00 0.00 174.62 173.43 3gni h PRO 115 N 6.59 0.00 0.11 7.08 0.11 -1.92 -2.42 132.00 141.56 3gni h PRO 115 Ca 0.06 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.90 3gni h PRO 115 Cb 0.93 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 3gni h PRO 115 CO 0.42 0.00 -1.21 1.15 -0.21 0.00 0.00 178.00 178.15 3gni h THR 116 N 0.00 1.53 -0.06 -1.15 2.02 -1.83 -2.13 112.91 111.29 3gni h THR 116 Ca 0.00 -3.12 0.00 0.00 0.77 0.00 0.00 66.41 64.06 3gni h THR 116 Cb 0.02 2.93 -0.00 0.00 -1.74 0.00 0.00 68.15 69.36 3gni h THR 116 CO -0.00 0.91 0.04 0.58 0.37 0.00 0.00 175.52 177.41 3gni h VAL 117 N 0.06 1.01 -0.81 3.16 2.07 -1.71 0.38 116.25 120.41 3gni h VAL 117 Ca -0.12 -0.03 0.14 0.00 0.82 0.00 0.00 66.70 67.52 3gni h VAL 117 Cb 1.94 0.93 -0.09 0.00 -1.52 0.00 0.00 31.29 32.55 3gni h VAL 117 CO 0.19 0.01 0.38 -0.33 0.02 0.00 0.00 177.57 177.85 3gni h GLU 118 N 0.08 0.53 -0.29 1.57 5.08 -1.49 -1.71 114.58 118.35 3gni h GLU 118 Ca 0.02 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 3gni h GLU 118 Cb -0.01 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 3gni h GLU 118 CO -0.01 0.35 -0.44 -0.92 -1.00 0.00 0.00 179.01 177.00 3gni h TYR 119 N 0.55 1.01 0.00 4.33 3.20 -0.75 -2.88 116.97 122.43 3gni h TYR 119 Ca 0.44 -0.34 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 3gni h TYR 119 Cb 0.64 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 3gni h TYR 119 CO -0.12 1.14 -0.17 0.82 -1.64 0.00 0.00 178.16 178.19 3gni h ILE 120 N 0.59 0.55 0.00 1.81 2.04 -0.49 -1.81 117.51 120.19 3gni h ILE 120 Ca 0.03 -0.83 -0.06 0.00 1.00 0.00 0.00 64.86 65.00 3gni h ILE 120 Cb 1.04 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 3gni h ILE 120 CO 0.10 0.17 -0.30 0.00 0.00 0.00 0.00 178.15 178.12 3gni n THR 122 N -3.63 0.28 -3.17 0.00 -2.24 -0.75 -4.46 114.28 100.31 3gni n THR 122 Ca -0.01 -0.20 -0.22 0.00 -2.27 0.00 0.00 64.05 61.35 3gni n THR 122 Cb 0.42 -0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.47 3gni n THR 122 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3gni n GLN 123 N -1.95 1.49 0.24 -0.78 -0.06 -0.58 -4.97 117.38 110.76 3gni n GLN 123 Ca 0.04 -3.75 0.13 0.00 -2.00 0.00 0.00 57.00 51.42 3gni n GLN 123 Cb 0.41 -1.73 0.49 0.00 -4.06 0.00 0.00 30.24 25.35 3gni n GLN 123 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 3gni h GLN 124 N 3.42 0.00 0.00 3.69 4.20 -1.65 -3.02 115.11 121.75 3gni h GLN 124 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3gni h GLN 124 Cb 0.82 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.60 3gni h GLN 124 CO 0.59 0.11 0.00 -0.97 -0.67 0.00 0.00 178.83 177.88 3gni h ASN 125 N 0.00 0.00 -0.32 1.46 -1.24 -1.93 -1.89 115.58 111.66 3gni h ASN 125 Ca -0.00 0.00 0.07 0.00 0.71 0.00 0.00 56.30 57.08 3gni h ASN 125 Cb 0.71 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.69 3gni h ASN 125 CO 0.01 0.00 -0.15 0.40 -1.29 0.00 0.00 177.43 176.40 3gni h ILE 126 N 0.00 0.53 -0.68 2.57 2.04 -1.88 0.19 117.51 120.28 3gni h ILE 126 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 3gni h ILE 126 Cb 0.14 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 36.70 3gni h ILE 126 CO 0.00 0.00 0.37 -0.07 0.00 0.00 0.00 178.15 178.45 3gni h LEU 127 N -0.10 0.53 -0.53 1.44 3.38 -1.58 -1.40 115.31 117.04 3gni h LEU 127 Ca 0.16 0.04 -0.16 0.00 0.09 0.00 0.00 57.88 58.01 3gni h LEU 127 Cb 0.35 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3gni h LEU 127 CO -0.38 0.33 -0.69 -0.26 0.09 0.00 0.00 178.44 177.53 3gni h PHE 128 N 0.67 0.31 -0.62 1.13 0.04 -1.41 -1.87 116.94 115.19 3gni h PHE 128 Ca 0.31 -0.13 -0.08 0.00 2.80 0.00 0.00 57.97 60.87 3gni h PHE 128 Cb 0.23 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 3gni h PHE 128 CO -0.09 0.84 0.07 0.52 -0.60 0.00 0.00 178.31 179.06 3gni h MET 129 N 0.16 1.05 -0.30 1.51 2.86 -0.35 -0.74 114.93 119.10 3gni h MET 129 Ca -0.02 -0.30 -0.01 0.00 -2.06 0.00 0.00 59.70 57.31 3gni h MET 129 Cb 1.23 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 3gni h MET 129 CO 0.11 0.99 0.15 -0.07 1.06 0.00 0.00 176.91 179.15 3gni h LEU 130 N 0.95 0.39 -0.22 1.22 3.38 -1.14 -1.70 115.31 118.20 3gni h LEU 130 Ca 0.18 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3gni h LEU 130 Cb 0.47 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3gni h LEU 130 CO 0.02 0.39 0.13 0.25 0.09 0.00 0.00 178.44 179.32 3gni h LEU 131 N 0.36 0.26 -2.75 1.67 6.46 -1.25 -1.89 115.31 118.18 3gni h LEU 131 Ca 0.11 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 3gni h LEU 131 Cb 0.10 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 39.96 3gni h LEU 131 CO -0.01 0.24 0.01 0.50 -0.62 0.00 0.00 178.44 178.55 3gni h LYS 132 N 0.26 0.00 0.00 1.25 1.63 -1.05 -2.44 116.57 116.22 3gni h LYS 132 Ca 0.08 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.88 3gni h LYS 132 Cb 0.03 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.66 3gni h LYS 132 CO -0.01 0.00 -0.00 0.78 -3.45 0.00 0.00 179.45 176.76 3gni h GLY 133 N 0.00 0.00 2.00 5.01 0.00 -0.44 -2.39 103.07 107.25 3gni h GLY 133 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gni h GLY 133 CO -0.00 0.00 -0.02 -0.97 0.00 0.00 0.00 176.54 175.55 3gni h TYR 134 N 0.00 0.00 -0.00 5.60 -1.99 -1.55 -2.24 116.97 116.79 3gni h TYR 134 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3gni h TYR 134 Cb 0.02 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.75 3gni h TYR 134 CO 0.00 0.02 -0.02 0.39 -0.00 0.00 0.00 178.16 178.55 3gni n GLU 135 N -3.83 0.79 -3.93 4.88 1.02 -0.90 -4.67 120.64 114.00 3gni n GLU 135 Ca -0.03 -0.10 -0.30 0.00 -0.02 0.00 0.00 57.16 56.71 3gni n GLU 135 Cb 0.10 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 29.87 3gni n GLU 135 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3gni s SER 136 N -2.27 3.83 0.48 1.62 0.01 -0.85 -5.02 113.70 111.50 3gni s SER 136 Ca 0.38 -1.18 0.17 0.00 1.31 0.00 0.00 55.95 56.62 3gni s SER 136 Cb 0.21 -1.16 1.17 0.00 0.21 0.00 0.00 66.02 66.45 3gni s SER 136 CO 0.42 -0.24 2.04 -0.65 0.41 0.00 0.00 173.24 175.21 3gni h PRO 137 N 7.96 0.21 0.00 12.44 0.11 -1.83 -1.27 132.00 149.62 3gni h PRO 137 Ca -0.18 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.83 3gni h PRO 137 Cb 1.07 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3gni h PRO 137 CO 0.41 0.14 -0.43 0.93 -0.21 0.00 0.00 178.00 178.84 3gni h GLU 138 N 0.21 0.00 -0.00 1.05 5.08 -1.95 -3.30 114.58 115.67 3gni h GLU 138 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3gni h GLU 138 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3gni h GLU 138 CO -0.03 0.43 -0.18 0.44 -1.00 0.00 0.00 179.01 178.67 3gni n ILE 139 N -3.96 0.00 -0.11 3.13 -5.35 -0.87 -4.81 119.36 107.39 3gni n ILE 139 Ca -0.02 -0.41 -0.09 0.00 -0.27 0.00 0.00 62.75 61.97 3gni n ILE 139 Cb 0.46 1.06 -0.01 0.00 -1.74 0.00 0.00 39.64 39.41 3gni n ILE 139 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3gni h ALA 140 N 1.10 0.46 -0.16 -1.28 0.00 -1.27 -0.77 119.26 117.34 3gni h ALA 140 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3gni h ALA 140 Cb 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3gni h ALA 140 CO 0.00 -0.04 0.02 1.25 0.00 0.00 0.00 179.25 180.47 3gni h LEU 141 N 0.47 0.27 -0.97 0.00 5.85 -1.87 0.60 115.31 119.66 3gni h LEU 141 Ca 0.13 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 3gni h LEU 141 Cb 0.01 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3gni h LEU 141 CO -0.02 0.48 0.06 0.78 -0.34 0.00 0.00 178.44 179.40 3gni h ASN 142 N 0.05 0.77 -0.34 1.25 2.35 -1.88 -1.24 115.58 116.53 3gni h ASN 142 Ca 0.05 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 3gni h ASN 142 Cb 0.33 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 3gni h ASN 142 CO 0.01 0.80 0.17 0.00 -1.65 0.00 0.00 177.43 176.75 3gni h GLY 144 N 0.42 0.23 0.63 0.00 0.00 -0.49 0.82 103.07 104.68 3gni h GLY 144 Ca 0.12 0.04 0.06 0.00 0.00 0.00 0.00 47.33 47.54 3gni h GLY 144 CO -0.02 -0.06 0.21 -2.22 0.00 0.00 0.00 176.54 174.45 3gni h ILE 145 N 0.06 0.89 -0.34 2.60 2.04 -1.20 0.14 117.51 121.69 3gni h ILE 145 Ca 0.12 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 3gni h ILE 145 Cb 0.16 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 3gni h ILE 145 CO -0.22 0.08 0.02 0.24 0.00 0.00 0.00 178.15 178.27 3gni h MET 146 N 0.41 0.59 -0.76 2.37 2.86 -1.01 -2.71 114.93 116.69 3gni h MET 146 Ca 0.23 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 3gni h MET 146 Cb 0.20 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 3gni h MET 146 CO -0.20 0.70 0.28 1.25 1.06 0.00 0.00 176.91 180.00 3gni h LEU 147 N 0.41 1.07 -1.34 1.22 6.46 -0.64 -1.49 115.31 121.00 3gni h LEU 147 Ca 0.10 -0.19 -0.07 0.00 -0.12 0.00 0.00 57.88 57.60 3gni h LEU 147 Cb 0.42 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 3gni h LEU 147 CO 0.01 0.97 -0.32 -0.09 -0.62 0.00 0.00 178.44 178.40 3gni h ARG 148 N 1.11 0.00 0.05 1.25 2.43 -0.93 -1.18 114.38 117.12 3gni h ARG 148 Ca 0.25 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 59.19 3gni h ARG 148 Cb 0.26 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3gni h ARG 148 CO -0.02 0.32 -1.04 0.93 -1.51 0.00 0.00 179.97 178.65 3gni h GLU 149 N 0.00 0.22 -0.31 0.20 4.39 -1.16 -3.28 114.58 114.64 3gni h GLU 149 Ca -0.00 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.39 3gni h GLU 149 Cb 0.62 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 3gni h GLU 149 CO 0.04 1.08 0.20 0.00 -1.16 0.00 0.00 179.01 179.17 3gni n ILE 151 N -4.85 0.06 0.27 0.00 -5.35 -0.50 -1.76 119.36 107.22 3gni n ILE 151 Ca -0.01 0.02 0.13 0.00 -0.27 0.00 0.00 62.75 62.61 3gni n ILE 151 Cb 0.04 -0.58 0.74 0.00 -1.74 0.00 0.00 39.64 38.10 3gni n ILE 151 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 3gni h ARG 152 N 0.00 0.00 -5.07 6.28 3.08 -1.60 -3.40 114.38 113.66 3gni h ARG 152 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 3gni h ARG 152 Cb 0.10 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.00 3gni h ARG 152 CO 0.00 0.11 -0.49 -1.01 -1.07 0.00 0.00 179.97 177.50 3gni s HIS 153 N -4.20 3.30 0.22 3.04 3.76 -0.72 -5.01 115.29 115.68 3gni s HIS 153 Ca -0.03 0.22 -0.08 0.00 -0.15 0.00 0.00 55.06 55.03 3gni s HIS 153 Cb 0.13 -2.30 0.32 0.00 1.11 0.00 0.00 32.58 31.84 3gni s HIS 153 CO 0.58 0.03 1.76 1.49 -0.85 0.00 0.00 174.74 177.75 3gni h GLU 154 N 7.64 0.49 -0.54 1.40 4.81 -1.86 -1.61 114.58 124.91 3gni h GLU 154 Ca -0.37 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 58.87 3gni h GLU 154 Cb 1.17 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 3gni h GLU 154 CO 0.64 0.33 0.36 -1.35 -0.73 0.00 0.00 179.01 178.25 3gni h PRO 155 N 0.51 0.55 0.21 0.92 0.11 -1.95 -0.51 132.00 131.84 3gni h PRO 155 Ca 0.33 -0.03 -0.31 0.00 0.11 0.00 0.00 66.00 66.10 3gni h PRO 155 Cb 0.39 -0.12 0.04 0.00 0.11 0.00 0.00 31.00 31.41 3gni h PRO 155 CO -0.29 0.36 -1.35 -0.07 -0.21 0.00 0.00 178.00 176.44 3gni h LEU 156 N 0.56 0.81 -0.74 2.35 3.38 -1.59 -2.78 115.31 117.30 3gni h LEU 156 Ca 0.22 -0.90 0.16 0.00 0.09 0.00 0.00 57.88 57.45 3gni h LEU 156 Cb 0.18 -0.26 -0.11 0.00 0.09 0.00 0.00 40.66 40.56 3gni h LEU 156 CO -0.06 1.65 0.22 0.00 0.09 0.00 0.00 178.44 180.34 3gni h ALA 157 N 0.17 1.00 -0.38 1.53 0.00 -1.14 -2.84 119.26 117.61 3gni h ALA 157 Ca -0.23 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3gni h ALA 157 Cb 2.05 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 20.01 3gni h ALA 157 CO 0.25 -0.31 0.09 -0.22 0.00 0.00 0.00 179.25 179.06 3gni h LYS 158 N 0.32 0.61 -0.41 0.00 3.64 -1.02 -1.32 116.57 118.38 3gni h LYS 158 Ca 0.42 -0.15 0.07 0.00 -1.27 0.00 0.00 60.65 59.72 3gni h LYS 158 Cb 0.70 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.38 3gni h LYS 158 CO -0.48 0.64 0.03 0.82 -2.27 0.00 0.00 179.45 178.19 3gni h ILE 159 N 0.46 0.72 -0.35 2.00 2.04 -1.36 -1.67 117.51 119.35 3gni h ILE 159 Ca 0.12 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.87 3gni h ILE 159 Cb 0.31 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3gni h ILE 159 CO 0.00 0.03 0.01 0.40 0.00 0.00 0.00 178.15 178.58 3gni h ILE 160 N 0.15 1.26 -0.38 -0.67 2.04 -1.40 -3.14 117.51 115.37 3gni h ILE 160 Ca 0.20 -0.96 -0.03 0.00 1.00 0.00 0.00 64.86 65.07 3gni h ILE 160 Cb 0.28 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 3gni h ILE 160 CO -0.31 0.32 0.11 -0.07 0.00 0.00 0.00 178.15 178.20 3gni h LEU 161 N 0.43 0.50 -1.61 1.44 4.07 -0.99 -2.78 115.31 116.36 3gni h LEU 161 Ca 0.10 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.00 3gni h LEU 161 Cb 0.45 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.06 3gni h LEU 161 CO 0.02 0.49 0.00 0.79 -1.08 0.00 0.00 178.44 178.65 3gni n TRP 162 N -4.35 0.45 -3.37 1.13 8.01 -0.65 -4.92 117.44 113.73 3gni n TRP 162 Ca 0.02 -0.22 -0.23 0.00 -1.31 0.00 0.00 57.50 55.76 3gni n TRP 162 Cb 0.17 0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 29.46 3gni n TRP 162 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 3gni s SER 163 N -1.30 6.21 0.30 -0.99 1.04 -1.05 -5.01 113.70 112.90 3gni s SER 163 Ca 0.33 0.36 -0.02 0.00 0.48 0.00 0.00 55.95 57.11 3gni s SER 163 Cb 0.18 -1.91 0.44 0.00 0.10 0.00 0.00 66.02 64.84 3gni s SER 163 CO 0.25 -0.34 1.94 -0.33 0.98 0.00 0.00 173.24 175.73 3gni h GLU 164 N 0.74 1.01 0.00 4.02 4.39 -1.92 -3.26 114.58 119.56 3gni h GLU 164 Ca -0.49 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.07 3gni h GLU 164 Cb 1.23 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 3gni h GLU 164 CO 0.60 0.72 -0.21 1.96 -1.16 0.00 0.00 179.01 180.92 3gni h GLN 165 N 1.02 0.00 -1.04 2.33 7.50 -1.95 -2.94 115.11 120.04 3gni h GLN 165 Ca 0.27 0.00 0.29 0.00 0.50 0.00 0.00 58.65 59.70 3gni h GLN 165 Cb -0.02 0.00 -0.13 0.00 0.05 0.00 0.00 27.48 27.38 3gni h GLN 165 CO -0.05 0.21 0.63 0.35 -1.50 0.00 0.00 178.83 178.47 3gni h PHE 166 N 0.00 0.87 0.00 2.96 3.57 -1.71 -1.22 116.94 121.42 3gni h PHE 166 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3gni h PHE 166 Cb 0.47 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.97 3gni h PHE 166 CO 0.00 -0.03 0.00 0.66 -2.23 0.00 0.00 178.31 176.71 3gni n TYR 167 N -4.86 0.58 0.28 0.41 4.01 -1.11 -2.01 117.16 114.45 3gni n TYR 167 Ca 0.29 0.22 0.14 0.00 -0.16 0.00 0.00 57.90 58.39 3gni n TYR 167 Cb 0.91 -0.86 0.80 0.00 -0.31 0.00 0.00 39.34 39.87 3gni n TYR 167 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3gni h ASP 168 N 0.00 0.00 -0.87 7.72 3.32 -1.43 -2.55 116.42 122.61 3gni h ASP 168 Ca 0.00 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.15 3gni h ASP 168 Cb 0.34 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.83 3gni h ASP 168 CO 0.00 0.08 0.56 -0.26 -1.72 0.00 0.00 179.24 177.90 3gni h PHE 169 N 0.00 0.89 -0.16 4.55 0.04 -1.58 -1.26 116.94 119.42 3gni h PHE 169 Ca -0.00 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 3gni h PHE 169 Cb 0.21 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 3gni h PHE 169 CO 0.00 0.40 -0.01 0.74 -0.60 0.00 0.00 178.31 178.84 3gni h PHE 170 N 0.82 0.23 0.09 -0.55 0.04 -1.67 -0.27 116.94 115.62 3gni h PHE 170 Ca 0.41 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 61.17 3gni h PHE 170 Cb 0.47 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.55 3gni h PHE 170 CO -0.00 0.25 -0.04 -0.09 -0.60 0.00 0.00 178.31 177.83 3gni h ARG 171 N 0.23 -0.11 -0.91 1.51 2.43 -1.49 -3.38 114.38 112.65 3gni h ARG 171 Ca 0.05 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.28 3gni h ARG 171 Cb 0.17 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.69 3gni h ARG 171 CO 0.00 0.37 0.60 1.88 -1.51 0.00 0.00 179.97 181.31 3gni h TYR 172 N -0.65 1.09 0.00 2.20 0.05 -0.41 -2.05 116.97 117.20 3gni h TYR 172 Ca -0.01 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.80 3gni h TYR 172 Cb 0.53 -0.36 0.00 0.00 1.01 0.00 0.00 36.73 37.91 3gni h TYR 172 CO 0.09 0.61 0.00 1.33 -1.05 0.00 0.00 178.16 179.15 3gni n VAL 173 N -4.46 0.89 -0.07 -2.88 0.24 -0.19 -2.46 118.33 109.40 3gni n VAL 173 Ca 0.13 0.22 0.03 0.00 -2.04 0.00 0.00 64.34 62.68 3gni n VAL 173 Cb 0.13 -0.97 0.08 0.00 -1.47 0.00 0.00 33.84 31.61 3gni n VAL 173 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3gni n GLU 174 N -1.45 2.70 -1.75 7.34 1.02 -0.78 -4.79 120.64 122.93 3gni n GLU 174 Ca 0.04 -1.72 -0.41 0.00 -0.02 0.00 0.00 57.16 55.06 3gni n GLU 174 Cb 0.16 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 3gni n GLU 174 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 3gni n MET 175 N 0.05 2.42 0.22 3.49 1.56 -1.03 -4.92 117.12 118.91 3gni n MET 175 Ca 0.06 0.85 0.11 0.00 -0.27 0.00 0.00 57.70 58.44 3gni n MET 175 Cb 0.33 -2.55 0.45 0.00 2.15 0.00 0.00 33.22 33.59 3gni n MET 175 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 3gni h SER 176 N 2.69 0.00 -3.32 6.12 4.64 -1.94 -3.39 113.55 118.34 3gni h SER 176 Ca -0.49 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.27 3gni h SER 176 Cb 1.26 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.29 3gni h SER 176 CO 0.63 0.20 1.03 0.42 -0.87 0.00 0.00 176.83 178.24 3gni s THR 177 N -3.58 3.97 0.25 2.95 -4.23 -1.26 -4.92 115.64 108.82 3gni s THR 177 Ca 0.01 0.96 0.06 0.00 -1.18 0.00 0.00 61.69 61.54 3gni s THR 177 Cb 0.10 -4.40 -0.03 0.00 1.34 0.00 0.00 72.50 69.51 3gni s THR 177 CO 0.63 -0.95 1.58 0.15 -0.54 0.00 0.00 174.62 175.50 3gni h PHE 178 N 10.29 0.25 -0.92 3.99 3.57 -2.00 -2.23 116.94 129.89 3gni h PHE 178 Ca -0.26 -0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.19 3gni h PHE 178 Cb 1.09 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.73 3gni h PHE 178 CO 0.99 0.73 0.60 0.38 -2.23 0.00 0.00 178.31 178.78 3gni h ASP 179 N 0.15 0.99 0.07 0.41 2.03 -1.94 -0.20 116.42 117.94 3gni h ASP 179 Ca -0.00 -0.01 -0.18 0.00 -0.73 0.00 0.00 57.03 56.11 3gni h ASP 179 Cb 1.07 -0.22 0.02 0.00 -0.83 0.00 0.00 39.33 39.37 3gni h ASP 179 CO 0.09 0.68 -0.74 0.40 -1.03 0.00 0.00 179.24 178.64 3gni h ILE 180 N 1.16 1.46 -0.77 4.15 2.04 -1.87 -2.55 117.51 121.13 3gni h ILE 180 Ca 0.37 -2.31 0.12 0.00 1.00 0.00 0.00 64.86 64.03 3gni h ILE 180 Cb 0.02 2.89 -0.08 0.00 -0.74 0.00 0.00 36.82 38.91 3gni h ILE 180 CO -0.13 0.67 0.38 0.00 0.00 0.00 0.00 178.15 179.07 3gni h ALA 181 N 0.21 1.09 -0.12 1.87 0.00 -1.37 -0.19 119.26 120.74 3gni h ALA 181 Ca -0.11 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gni h ALA 181 Cb 1.50 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 3gni h ALA 181 CO 0.14 -0.08 0.06 0.77 0.00 0.00 0.00 179.25 180.15 3gni h SER 182 N 0.59 0.15 -0.60 0.00 0.02 -1.09 -0.91 113.55 111.72 3gni h SER 182 Ca 0.40 -0.10 0.10 0.00 -0.84 0.00 0.00 61.79 61.34 3gni h SER 182 Cb 0.49 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.92 3gni h SER 182 CO -0.32 0.21 0.22 -0.78 -1.14 0.00 0.00 176.83 175.02 3gni h ASP 183 N 0.08 0.20 -0.40 3.07 3.58 -1.06 -1.17 116.42 120.72 3gni h ASP 183 Ca 0.04 0.08 -0.15 0.00 0.42 0.00 0.00 57.03 57.42 3gni h ASP 183 Cb 0.10 0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 3gni h ASP 183 CO -0.01 0.12 -0.35 0.00 -2.88 0.00 0.00 179.24 176.12 3gni h ALA 184 N 1.42 0.60 -0.25 -0.78 0.00 -0.88 -2.59 119.26 116.80 3gni h ALA 184 Ca 0.31 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3gni h ALA 184 Cb 0.39 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3gni h ALA 184 CO -0.32 0.68 -0.17 0.35 0.00 0.00 0.00 179.25 179.79 3gni h PHE 185 N 0.79 0.47 -0.91 0.00 3.04 -1.03 -1.18 116.94 118.11 3gni h PHE 185 Ca 0.07 -0.08 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 3gni h PHE 185 Cb 0.94 -0.12 -0.04 0.00 2.56 0.00 0.00 35.95 39.29 3gni h PHE 185 CO 0.06 0.59 0.52 0.00 -2.02 0.00 0.00 178.31 177.46 3gni h ALA 186 N 1.43 1.17 -0.23 2.41 0.00 -0.91 -0.40 119.26 122.72 3gni h ALA 186 Ca 0.07 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 3gni h ALA 186 Cb 0.53 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3gni h ALA 186 CO 0.03 0.65 -0.64 1.15 0.00 0.00 0.00 179.25 180.45 3gni h THR 187 N 1.27 1.28 -0.36 0.00 2.02 -1.22 -2.03 112.91 113.87 3gni h THR 187 Ca 0.32 -1.83 -0.02 0.00 0.77 0.00 0.00 66.41 65.65 3gni h THR 187 Cb -0.00 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 3gni h THR 187 CO -0.06 0.59 0.14 0.15 0.37 0.00 0.00 175.52 176.72 3gni h PHE 188 N 0.60 0.54 -0.22 3.16 3.57 -1.05 -1.37 116.94 122.17 3gni h PHE 188 Ca -0.01 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.40 3gni h PHE 188 Cb 1.25 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.82 3gni h PHE 188 CO 0.08 0.50 -0.04 -0.22 -2.23 0.00 0.00 178.31 176.39 3gni h LYS 189 N 0.43 0.43 -0.42 1.11 3.64 -1.08 -2.65 116.57 118.02 3gni h LYS 189 Ca 0.12 -0.16 0.08 0.00 -1.27 0.00 0.00 60.65 59.42 3gni h LYS 189 Cb 0.18 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.91 3gni h LYS 189 CO -0.01 0.65 -0.01 0.22 -2.27 0.00 0.00 179.45 178.04 3gni h ASP 190 N 0.16 -0.19 -0.93 4.20 1.82 -1.28 -1.36 116.42 118.84 3gni h ASP 190 Ca 0.06 0.10 0.14 0.00 -0.39 0.00 0.00 57.03 56.94 3gni h ASP 190 Cb 0.49 0.18 -0.09 0.00 0.68 0.00 0.00 39.33 40.59 3gni h ASP 190 CO 0.02 -0.06 0.55 -0.07 -1.61 0.00 0.00 179.24 178.07 3gni h LEU 191 N 0.10 0.74 0.00 2.28 3.38 -1.12 0.34 115.31 121.03 3gni h LEU 191 Ca 0.21 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3gni h LEU 191 Cb 0.30 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3gni h LEU 191 CO -0.35 0.34 -0.30 0.18 0.09 0.00 0.00 178.44 178.39 3gni n LEU 192 N -4.75 0.51 0.00 1.67 4.77 -0.89 -4.41 117.00 113.90 3gni n LEU 192 Ca 0.19 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 3gni n LEU 192 Cb 0.43 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3gni n LEU 192 CO 0.24 -0.03 -0.24 0.35 -1.33 0.00 0.00 177.39 176.38 3gni n THR 193 N -1.85 0.00 -0.05 -5.08 -2.24 -0.56 -4.82 114.28 99.67 3gni n THR 193 Ca 0.05 -0.11 -0.03 0.00 -2.27 0.00 0.00 64.05 61.69 3gni n THR 193 Cb 0.39 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 69.16 3gni n THR 193 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3gni h ARG 194 N 0.00 -0.01 -3.93 -0.78 2.43 -1.15 -3.40 114.38 107.54 3gni h ARG 194 Ca 0.00 0.00 -0.78 0.00 -0.81 0.00 0.00 59.98 58.39 3gni h ARG 194 Cb 0.00 0.00 -0.25 0.00 -0.42 0.00 0.00 29.97 29.30 3gni h ARG 194 CO 0.00 0.18 0.20 -1.01 -1.51 0.00 0.00 179.97 177.83 3gni s HIS 195 N -1.72 3.74 0.32 2.20 3.76 -1.26 -4.92 115.29 117.42 3gni s HIS 195 Ca -0.04 -1.99 0.08 0.00 -0.15 0.00 0.00 55.06 52.96 3gni s HIS 195 Cb -0.01 -3.87 0.55 0.00 1.11 0.00 0.00 32.58 30.37 3gni s HIS 195 CO 0.13 -1.04 1.76 0.87 -0.85 0.00 0.00 174.74 175.61 3gni h LYS 196 N 7.79 0.20 -0.13 1.40 1.57 -1.91 0.82 116.57 126.31 3gni h LYS 196 Ca 0.12 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3gni h LYS 196 Cb 1.03 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 3gni h LYS 196 CO 0.81 0.54 -0.09 -0.07 -0.57 0.00 0.00 179.45 180.07 3gni h LEU 197 N 0.17 0.30 -0.77 2.94 3.38 -1.95 -1.41 115.31 117.97 3gni h LEU 197 Ca 0.02 -0.44 0.03 0.00 0.09 0.00 0.00 57.88 57.58 3gni h LEU 197 Cb 0.72 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 3gni h LEU 197 CO 0.05 0.68 0.49 0.25 0.09 0.00 0.00 178.44 180.00 3gni h LEU 198 N -0.07 0.81 -0.47 1.67 5.85 -1.85 -1.31 115.31 119.94 3gni h LEU 198 Ca 0.03 -0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 3gni h LEU 198 Cb 0.57 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 3gni h LEU 198 CO 0.02 0.56 -0.14 -1.28 -0.34 0.00 0.00 178.44 177.27 3gni h SER 199 N 0.96 0.93 -0.60 1.25 0.87 -0.87 -1.01 113.55 115.08 3gni h SER 199 Ca 0.31 -0.37 -0.02 0.00 -1.23 0.00 0.00 61.79 60.48 3gni h SER 199 Cb 0.01 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.69 3gni h SER 199 CO -0.11 1.09 0.29 0.00 -0.53 0.00 0.00 176.83 177.57 3gni h ALA 200 N 0.87 0.77 -0.16 6.23 0.00 -0.88 -0.94 119.26 125.15 3gni h ALA 200 Ca 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3gni h ALA 200 Cb 0.69 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3gni h ALA 200 CO 0.05 0.32 0.06 0.93 0.00 0.00 0.00 179.25 180.61 3gni h GLU 201 N 0.81 0.25 -0.48 0.00 5.08 -1.14 -1.85 114.58 117.25 3gni h GLU 201 Ca 0.21 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.61 3gni h GLU 201 Cb 0.11 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.24 3gni h GLU 201 CO -0.03 0.35 -0.00 0.35 -1.00 0.00 0.00 179.01 178.69 3gni h PHE 202 N 0.10 -0.03 -0.56 4.33 3.57 -1.00 -1.08 116.94 122.26 3gni h PHE 202 Ca 0.05 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.49 3gni h PHE 202 Cb 0.20 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 3gni h PHE 202 CO -0.01 -0.11 -0.02 -0.07 -2.23 0.00 0.00 178.31 175.88 3gni h LEU 203 N 0.11 0.99 -0.55 0.59 3.38 -1.05 -0.19 115.31 118.59 3gni h LEU 203 Ca 0.24 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3gni h LEU 203 Cb 0.35 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3gni h LEU 203 CO -0.40 1.06 0.29 -0.33 0.09 0.00 0.00 178.44 179.16 3gni h GLU 204 N 0.89 0.77 0.00 1.13 4.39 -1.13 -0.70 114.58 119.94 3gni h GLU 204 Ca 0.16 -0.10 -0.11 0.00 0.34 0.00 0.00 59.36 59.66 3gni h GLU 204 Cb 0.57 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 3gni h GLU 204 CO 0.03 0.60 -0.51 1.96 -1.16 0.00 0.00 179.01 179.94 3gni h GLN 205 N 0.74 0.00 0.00 2.33 4.20 -0.99 -3.29 115.11 118.10 3gni h GLN 205 Ca 0.19 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 3gni h GLN 205 Cb 0.06 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 3gni h GLN 205 CO -0.03 0.51 -0.12 0.72 -0.67 0.00 0.00 178.83 179.24 3gni n HIS 206 N -3.31 0.00 -0.38 2.96 8.25 -0.10 -4.89 115.22 117.75 3gni n HIS 206 Ca 0.01 -1.01 -0.07 0.00 -0.26 0.00 0.00 57.72 56.39 3gni n HIS 206 Cb 0.69 -0.16 -0.04 0.00 1.12 0.00 0.00 29.99 31.60 3gni n HIS 206 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 3gni h TYR 207 N 0.17 -1.55 -0.08 4.41 5.03 -1.19 -1.58 116.97 122.17 3gni h TYR 207 Ca -0.00 0.12 -0.01 0.00 2.58 0.00 0.00 58.73 61.41 3gni h TYR 207 Cb 1.03 0.81 -0.00 0.00 1.55 0.00 0.00 36.73 40.12 3gni h TYR 207 CO 0.13 -0.39 0.01 -0.44 -1.32 0.00 0.00 178.16 176.15 3gni h ASP 208 N -0.03 0.13 -0.39 -2.11 3.32 -1.90 -0.93 116.42 114.52 3gni h ASP 208 Ca 0.23 -0.26 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 3gni h ASP 208 Cb 0.50 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 3gni h ASP 208 CO -0.93 0.36 0.09 -0.09 -1.72 0.00 0.00 179.24 176.95 3gni h ARG 209 N -0.10 0.63 0.01 3.56 2.43 -1.92 -1.76 114.38 117.22 3gni h ARG 209 Ca 0.03 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3gni h ARG 209 Cb 0.29 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3gni h ARG 209 CO 0.00 0.66 -0.01 0.35 -1.51 0.00 0.00 179.97 179.46 3gni h PHE 210 N 0.49 -0.01 0.00 2.20 3.57 -1.19 -1.75 116.94 120.25 3gni h PHE 210 Ca 0.12 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 3gni h PHE 210 Cb 0.31 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 3gni h PHE 210 CO 0.02 -0.01 -0.13 0.74 -2.23 0.00 0.00 178.31 176.70 3gni h PHE 211 N -0.01 0.00 -0.28 0.41 0.04 -1.19 0.32 116.94 116.23 3gni h PHE 211 Ca -0.00 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 3gni h PHE 211 Cb 0.01 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 3gni h PHE 211 CO -0.08 0.13 -0.06 1.03 -0.60 0.00 0.00 178.31 178.73 3gni h SER 212 N 0.00 0.53 -0.46 2.17 0.87 -1.16 -0.82 113.55 114.68 3gni h SER 212 Ca -0.00 -0.36 -0.09 0.00 -1.23 0.00 0.00 61.79 60.11 3gni h SER 212 Cb 0.94 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 3gni h SER 212 CO 0.02 0.76 -0.08 -0.33 -0.53 0.00 0.00 176.83 176.67 3gni h GLU 213 N 0.29 0.87 -0.50 2.24 4.39 -1.01 -3.22 114.58 117.64 3gni h GLU 213 Ca 0.07 -0.32 -0.06 0.00 0.34 0.00 0.00 59.36 59.40 3gni h GLU 213 Cb 0.53 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 3gni h GLU 213 CO 0.03 0.96 0.08 -0.92 -1.16 0.00 0.00 179.01 177.99 3gni h TYR 214 N 0.71 0.80 -0.85 4.33 5.03 -0.33 -2.35 116.97 124.30 3gni h TYR 214 Ca 0.12 -0.08 0.11 0.00 2.58 0.00 0.00 58.73 61.46 3gni h TYR 214 Cb 0.62 -0.23 -0.06 0.00 1.55 0.00 0.00 36.73 38.61 3gni h TYR 214 CO 0.05 0.70 0.55 1.49 -1.32 0.00 0.00 178.16 179.63 3gni h GLU 215 N 0.74 0.74 -0.15 1.82 4.81 -1.15 -1.85 114.58 119.54 3gni h GLU 215 Ca 0.16 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.28 3gni h GLU 215 Cb 0.33 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3gni h GLU 215 CO 0.00 0.49 -0.17 0.87 -0.73 0.00 0.00 179.01 179.47 3gni h LYS 216 N 0.76 0.25 -0.24 1.92 1.57 -1.46 -2.86 116.57 116.51 3gni h LYS 216 Ca 0.41 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.98 3gni h LYS 216 Cb 0.52 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3gni h LYS 216 CO -0.17 0.43 -0.43 -0.07 -0.57 0.00 0.00 179.45 178.63 3gni h LEU 217 N 0.23 0.63 -0.32 2.94 3.38 -1.35 -2.59 115.31 118.23 3gni h LEU 217 Ca 0.04 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3gni h LEU 217 Cb 0.45 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3gni h LEU 217 CO 0.03 0.97 0.00 0.18 0.09 0.00 0.00 178.44 179.71 3gni n LEU 218 N -4.02 0.39 -0.85 1.67 4.77 -1.09 -2.21 117.00 115.66 3gni n LEU 218 Ca -0.02 0.58 0.09 0.00 -0.03 0.00 0.00 56.01 56.64 3gni n LEU 218 Cb 0.53 -0.52 0.14 0.00 -2.33 0.00 0.00 43.42 41.25 3gni n LEU 218 CO 0.46 -0.36 0.60 1.41 -1.33 0.00 0.00 177.39 178.17 3gni n HIS 219 N -1.91 0.26 -1.65 -1.77 8.25 -1.00 -4.98 115.22 112.42 3gni n HIS 219 Ca 0.03 -0.17 -0.42 0.00 -0.26 0.00 0.00 57.72 56.90 3gni n HIS 219 Cb 0.24 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.34 3gni n HIS 219 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3gni n SER 220 N 1.09 1.95 0.00 0.41 2.88 -0.94 -4.89 113.62 114.13 3gni n SER 220 Ca 0.14 1.14 0.14 0.00 -1.33 0.00 0.00 58.87 58.95 3gni n SER 220 Cb 0.49 -1.40 0.64 0.00 -0.75 0.00 0.00 64.21 63.19 3gni n SER 220 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3gni n GLU 221 N 0.39 0.16 -3.08 -1.46 1.02 -1.26 -4.73 120.64 111.68 3gni n GLU 221 Ca 0.07 0.02 -0.41 0.00 -0.02 0.00 0.00 57.16 56.83 3gni n GLU 221 Cb 0.37 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.22 3gni n GLU 221 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3gni s ASN 222 N -2.83 6.61 0.23 1.62 3.84 -1.26 -4.98 114.94 118.17 3gni s ASN 222 Ca 0.19 0.75 -0.08 0.00 0.21 0.00 0.00 52.86 53.93 3gni s ASN 222 Cb 0.19 -2.35 0.20 0.00 -0.55 0.00 0.00 41.25 38.74 3gni s ASN 222 CO 0.48 -0.38 1.89 0.22 -2.79 0.00 0.00 177.10 176.51 3gni h TYR 223 N 7.86 1.13 -0.10 0.43 3.20 -2.00 -2.25 116.97 125.23 3gni h TYR 223 Ca -0.26 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.46 3gni h TYR 223 Cb 1.12 -0.38 0.01 0.00 1.54 0.00 0.00 36.73 39.02 3gni h TYR 223 CO 0.75 0.74 -0.53 0.28 -1.64 0.00 0.00 178.16 177.76 3gni h VAL 224 N 1.19 1.36 -0.48 1.81 2.07 -1.97 -1.33 116.25 118.91 3gni h VAL 224 Ca 0.32 -1.85 0.10 0.00 0.82 0.00 0.00 66.70 66.09 3gni h VAL 224 Cb -0.09 2.19 -0.10 0.00 -1.52 0.00 0.00 31.29 31.78 3gni h VAL 224 CO -0.06 0.56 -0.20 0.74 0.02 0.00 0.00 177.57 178.62 3gni h THR 225 N 0.14 0.38 -0.09 2.57 2.02 -1.85 0.25 112.91 116.33 3gni h THR 225 Ca -0.04 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 3gni h THR 225 Cb 1.17 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.96 3gni h THR 225 CO 0.11 0.00 0.02 0.50 0.37 0.00 0.00 175.52 176.52 3gni h LYS 226 N -0.10 0.15 0.17 6.66 3.64 -1.39 -0.45 116.57 125.25 3gni h LYS 226 Ca 0.23 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3gni h LYS 226 Cb 0.45 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3gni h LYS 226 CO -0.54 0.35 -0.14 -0.09 -2.27 0.00 0.00 179.45 176.76 3gni h ARG 227 N -0.07 -0.31 -0.34 1.90 2.43 -0.85 -1.60 114.38 115.53 3gni h ARG 227 Ca 0.03 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3gni h ARG 227 Cb 0.27 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3gni h ARG 227 CO 0.00 -0.21 0.17 1.96 -1.51 0.00 0.00 179.97 180.38 3gni h GLN 228 N -0.32 0.49 -0.39 0.20 4.20 -0.53 -2.50 115.11 116.26 3gni h GLN 228 Ca -0.00 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 3gni h GLN 228 Cb 0.29 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3gni h GLN 228 CO -0.02 0.44 -0.12 0.77 -0.67 0.00 0.00 178.83 179.24 3gni h SER 229 N 0.42 0.68 -0.11 1.46 0.02 -1.04 -0.64 113.55 114.34 3gni h SER 229 Ca 0.12 -0.20 -0.14 0.00 -0.84 0.00 0.00 61.79 60.73 3gni h SER 229 Cb 0.11 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 3gni h SER 229 CO -0.02 0.83 -0.40 0.25 -1.14 0.00 0.00 176.83 176.35 3gni h LEU 230 N 0.63 0.68 -0.22 5.07 5.85 -1.22 -1.66 115.31 124.45 3gni h LEU 230 Ca 0.11 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 3gni h LEU 230 Cb 0.56 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3gni h LEU 230 CO 0.04 1.00 -0.01 0.50 -0.34 0.00 0.00 178.44 179.63 3gni h LYS 231 N 0.53 0.40 -0.85 1.25 3.64 -1.03 -2.67 116.57 117.84 3gni h LYS 231 Ca 0.04 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 3gni h LYS 231 Cb 0.92 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.67 3gni h LYS 231 CO 0.08 0.60 0.40 1.25 -2.27 0.00 0.00 179.45 179.51 3gni h LEU 232 N 0.16 1.11 -0.29 5.20 5.85 -1.04 -2.15 115.31 124.15 3gni h LEU 232 Ca 0.06 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.70 3gni h LEU 232 Cb 0.42 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 3gni h LEU 232 CO 0.01 0.94 -0.05 0.25 -0.34 0.00 0.00 178.44 179.25 3gni h LEU 233 N 1.21 -0.22 -0.88 2.25 5.85 -1.22 0.32 115.31 122.62 3gni h LEU 233 Ca 0.29 0.08 0.02 0.00 0.84 0.00 0.00 57.88 59.11 3gni h LEU 233 Cb 0.12 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.27 3gni h LEU 233 CO -0.04 -0.07 0.58 1.23 -0.34 0.00 0.00 178.44 179.80 3gni h GLY 234 N 0.02 1.25 1.86 3.75 0.00 -1.22 -1.67 103.07 107.06 3gni h GLY 234 Ca 0.14 -0.45 -0.10 0.00 0.00 0.00 0.00 47.33 46.92 3gni h GLY 234 CO -0.28 0.42 -0.39 0.83 0.00 0.00 0.00 176.54 177.12 3gni h GLU 235 N 1.16 0.16 -0.13 4.80 5.08 -0.89 -2.40 114.58 122.36 3gni h GLU 235 Ca 0.33 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.51 3gni h GLU 235 Cb -0.09 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3gni h GLU 235 CO -0.09 0.53 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.06 3gni h LEU 236 N 0.14 0.52 -0.84 1.33 3.38 -0.63 -3.19 115.31 116.02 3gni h LEU 236 Ca 0.01 -0.58 -0.12 0.00 0.09 0.00 0.00 57.88 57.28 3gni h LEU 236 Cb 0.76 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3gni h LEU 236 CO 0.06 1.01 -0.57 -0.07 0.09 0.00 0.00 178.44 178.95 3gni h LEU 237 N 0.06 0.02 -0.24 1.67 3.38 -1.28 -3.03 115.31 115.88 3gni h LEU 237 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3gni h LEU 237 Cb 0.94 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3gni h LEU 237 CO 0.07 0.59 -0.09 0.18 0.09 0.00 0.00 178.44 179.28 3gni n LEU 238 N -3.86 0.47 -4.71 1.67 7.99 -0.91 -4.79 117.00 112.86 3gni n LEU 238 Ca -0.01 -0.01 -0.42 0.00 -0.01 0.00 0.00 56.01 55.56 3gni n LEU 238 Cb 0.58 -0.16 -0.03 0.00 -0.11 0.00 0.00 43.42 43.70 3gni n LEU 238 CO 0.42 0.09 0.71 -0.62 -1.51 0.00 0.00 177.39 176.47 3gni s ASP 239 N -2.41 7.34 0.40 -1.43 2.15 -1.15 -4.96 116.67 116.62 3gni s ASP 239 Ca 0.31 1.69 0.08 0.00 0.43 0.00 0.00 52.55 55.06 3gni s ASP 239 Cb 0.20 -2.57 0.87 0.00 -0.30 0.00 0.00 42.92 41.12 3gni s ASP 239 CO 0.46 -0.29 2.02 0.08 -0.17 0.00 0.00 175.17 177.26 3gni h ARG 240 N 6.82 0.56 -0.05 4.34 -0.00 -1.89 -0.21 114.38 123.94 3gni h ARG 240 Ca -0.41 -0.03 0.01 0.00 -0.00 0.00 0.00 59.98 59.56 3gni h ARG 240 Cb 1.22 -0.13 -0.00 0.00 -0.00 0.00 0.00 29.97 31.06 3gni h ARG 240 CO 0.76 0.37 0.06 0.45 -0.00 0.00 0.00 179.97 181.61 3gni h HIS 241 N 0.57 0.00 -0.47 4.08 3.86 -1.92 -2.91 115.15 118.35 3gni h HIS 241 Ca 0.22 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 3gni h HIS 241 Cb 0.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.62 3gni h HIS 241 CO -0.00 0.00 0.00 0.09 0.86 0.00 0.00 177.93 178.88 3gni n ASN 242 N -3.83 4.63 -0.28 2.45 3.02 -0.09 -4.71 115.26 116.44 3gni n ASN 242 Ca -0.02 -2.74 0.08 0.00 -0.03 0.00 0.00 54.58 51.87 3gni n ASN 242 Cb 0.15 -0.57 0.23 0.00 -0.61 0.00 0.00 39.78 38.98 3gni n ASN 242 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3gni h PHE 243 N 3.14 0.64 -0.30 3.10 3.57 -1.55 0.11 116.94 125.65 3gni h PHE 243 Ca 0.00 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 3gni h PHE 243 Cb 1.55 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.13 3gni h PHE 243 CO 0.74 0.08 -0.03 1.15 -2.23 0.00 0.00 178.31 178.02 3gni h THR 244 N 0.50 1.27 -0.34 4.41 2.02 -1.87 -1.60 112.91 117.30 3gni h THR 244 Ca 0.47 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 3gni h THR 244 Cb 0.74 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 3gni h THR 244 CO -0.42 0.33 0.18 0.40 0.37 0.00 0.00 175.52 176.38 3gni h ILE 245 N 0.34 1.14 -0.80 3.11 5.03 -1.71 -2.57 117.51 122.05 3gni h ILE 245 Ca 0.08 -0.39 0.04 0.00 -0.12 0.00 0.00 64.86 64.47 3gni h ILE 245 Cb 0.49 0.78 -0.05 0.00 -3.03 0.00 0.00 36.82 35.01 3gni h ILE 245 CO 0.02 0.15 0.51 -0.03 -0.68 0.00 0.00 178.15 178.12 3gni h MET 246 N 0.42 0.95 -0.10 2.37 1.85 -0.68 -1.19 114.93 118.55 3gni h MET 246 Ca 0.12 -0.06 -0.11 0.00 -0.61 0.00 0.00 59.70 59.04 3gni h MET 246 Cb 0.08 -0.21 -0.01 0.00 0.43 0.00 0.00 31.60 31.88 3gni h MET 246 CO -0.02 0.63 -0.42 1.79 -0.40 0.00 0.00 176.91 178.49 3gni h THR 247 N 0.98 1.31 0.02 -0.77 1.35 -1.15 -1.86 112.91 112.80 3gni h THR 247 Ca 0.33 -1.55 -0.00 0.00 -0.55 0.00 0.00 66.41 64.64 3gni h THR 247 Cb 0.04 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 3gni h THR 247 CO -0.12 0.46 -0.01 0.50 -0.25 0.00 0.00 175.52 176.10 3gni h LYS 248 N 0.20 -0.03 -0.53 4.72 3.64 -1.11 -3.26 116.57 120.19 3gni h LYS 248 Ca 0.02 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 3gni h LYS 248 Cb 0.83 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 3gni h LYS 248 CO 0.07 0.13 0.34 -0.92 -2.27 0.00 0.00 179.45 176.79 3gni h TYR 249 N -0.18 0.64 -0.10 1.91 5.03 -0.80 -2.58 116.97 120.88 3gni h TYR 249 Ca -0.00 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.32 3gni h TYR 249 Cb 0.17 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.24 3gni h TYR 249 CO -0.03 0.38 0.00 0.44 -1.32 0.00 0.00 178.16 177.64 3gni n ILE 250 N -4.75 0.13 1.00 1.81 -5.35 -0.74 -3.09 119.36 108.37 3gni n ILE 250 Ca 0.03 -0.16 0.10 0.00 -0.27 0.00 0.00 62.75 62.46 3gni n ILE 250 Cb 0.05 0.03 -0.08 0.00 -1.74 0.00 0.00 39.64 37.89 3gni n ILE 250 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3gni n SER 251 N -0.23 1.15 -4.64 7.28 3.41 -0.97 -4.86 113.62 114.76 3gni n SER 251 Ca 0.10 -1.05 -0.39 0.00 -0.26 0.00 0.00 58.87 57.27 3gni n SER 251 Cb 0.15 0.88 -0.08 0.00 -0.26 0.00 0.00 64.21 64.90 3gni n SER 251 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3gni s LYS 252 N -2.91 4.11 0.24 4.33 -0.14 -1.18 -4.74 119.74 119.45 3gni s LYS 252 Ca 0.10 0.15 -0.05 0.00 -1.36 0.00 0.00 55.97 54.82 3gni s LYS 252 Cb 0.16 -3.59 0.45 0.00 -1.68 0.00 0.00 37.83 33.18 3gni s LYS 252 CO 0.81 -0.15 1.71 -1.00 -0.76 0.00 0.00 175.35 175.97 3gni h PRO 253 N 7.71 0.37 0.00 -1.68 0.13 -1.91 -2.71 132.00 133.91 3gni h PRO 253 Ca -0.34 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.75 3gni h PRO 253 Cb 1.16 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 3gni h PRO 253 CO 0.69 0.24 -0.10 1.05 -0.23 0.00 0.00 178.00 179.66 3gni h GLU 254 N 0.38 0.00 0.07 0.86 9.09 -1.96 -1.16 114.58 121.85 3gni h GLU 254 Ca 0.41 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.54 3gni h GLU 254 Cb 0.65 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.77 3gni h GLU 254 CO -0.43 0.10 -1.16 -0.91 0.05 0.00 0.00 179.01 176.66 3gni h ASN 255 N 0.00 0.86 -0.45 3.06 2.35 -1.80 -2.81 115.58 116.79 3gni h ASN 255 Ca -0.00 -0.75 -0.02 0.00 -0.55 0.00 0.00 56.30 54.98 3gni h ASN 255 Cb 0.29 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 3gni h ASN 255 CO 0.01 1.55 0.21 0.25 -1.65 0.00 0.00 177.43 177.81 3gni h LEU 256 N 0.31 0.59 -0.11 1.61 5.85 -1.43 -2.12 115.31 120.02 3gni h LEU 256 Ca -0.16 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.47 3gni h LEU 256 Cb 1.82 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 42.64 3gni h LEU 256 CO 0.22 0.56 -0.39 0.50 -0.34 0.00 0.00 178.44 178.99 3gni h LYS 257 N 0.58 -0.46 -0.36 1.25 3.64 -1.28 -0.23 116.57 119.71 3gni h LYS 257 Ca 0.15 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.62 3gni h LYS 257 Cb 0.13 0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 3gni h LYS 257 CO -0.02 -0.31 0.08 1.25 -2.27 0.00 0.00 179.45 178.19 3gni h LEU 258 N -0.48 0.04 -0.66 5.20 5.85 -1.45 -1.08 115.31 122.74 3gni h LEU 258 Ca 0.08 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 3gni h LEU 258 Cb 0.61 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 3gni h LEU 258 CO -0.37 0.06 0.33 0.24 -0.34 0.00 0.00 178.44 178.36 3gni h MET 259 N 0.21 0.93 -0.62 1.25 2.86 -1.16 0.29 114.93 118.70 3gni h MET 259 Ca 0.17 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.69 3gni h MET 259 Cb 0.19 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 3gni h MET 259 CO -0.21 0.73 0.41 0.52 1.06 0.00 0.00 176.91 179.41 3gni h MET 260 N 0.90 0.81 -0.38 1.72 2.86 -0.72 -1.56 114.93 118.56 3gni h MET 260 Ca 0.23 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 3gni h MET 260 Cb 0.09 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 3gni h MET 260 CO -0.03 0.54 0.14 -0.91 1.06 0.00 0.00 176.91 177.70 3gni h ASN 261 N 0.83 0.54 0.33 1.22 2.35 -0.94 -2.72 115.58 117.20 3gni h ASN 261 Ca 0.23 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3gni h ASN 261 Cb -0.09 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.13 3gni h ASN 261 CO -0.05 0.58 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.24 3gni h LEU 262 N 0.47 0.00 -1.61 1.61 3.38 -0.69 0.05 115.31 118.52 3gni h LEU 262 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3gni h LEU 262 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3gni h LEU 262 CO -0.01 0.01 0.00 -0.07 0.09 0.00 0.00 178.44 178.46 3gni h LEU 263 N 0.00 0.00 -2.93 1.67 3.38 -0.95 -2.95 115.31 113.54 3gni h LEU 263 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gni h LEU 263 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3gni h LEU 263 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.07 3gni n ARG 264 N -2.84 2.92 -1.03 1.13 1.74 -0.00 -4.83 116.66 113.75 3gni n ARG 264 Ca 0.00 -2.27 -0.33 0.00 -0.77 0.00 0.00 57.85 54.48 3gni n ARG 264 Cb 0.22 -1.41 0.13 0.00 -1.02 0.00 0.00 32.46 30.38 3gni n ARG 264 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3gni n ASP 265 N 0.58 0.36 0.17 0.55 2.03 -1.11 -4.94 116.55 114.19 3gni n ASP 265 Ca 0.15 0.54 0.02 0.00 0.52 0.00 0.00 54.79 56.02 3gni n ASP 265 Cb 0.53 -1.44 0.29 0.00 -0.72 0.00 0.00 41.12 39.79 3gni n ASP 265 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 3gni h LYS 266 N -1.05 0.00 -6.17 -0.67 2.10 -1.95 -3.44 116.57 105.39 3gni h LYS 266 Ca -0.45 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 57.63 3gni h LYS 266 Cb 1.30 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.59 3gni h LYS 266 CO 0.44 0.46 0.84 0.45 -2.00 0.00 0.00 179.45 179.64 3gni s SER 267 N -6.78 6.99 0.20 7.07 0.15 -1.26 -4.92 113.70 115.15 3gni s SER 267 Ca -0.02 1.67 -0.10 0.00 0.70 0.00 0.00 55.95 58.20 3gni s SER 267 Cb 0.13 -2.54 0.21 0.00 -1.71 0.00 0.00 66.02 62.11 3gni s SER 267 CO 0.73 -0.71 1.80 -0.09 1.20 0.00 0.00 173.24 176.17 3gni h ARG 268 N 7.94 0.63 0.03 5.44 2.43 -2.00 -1.55 114.38 127.31 3gni h ARG 268 Ca -0.27 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 58.88 3gni h ARG 268 Cb 1.11 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 3gni h ARG 268 CO 0.95 0.42 -0.13 -0.91 -1.51 0.00 0.00 179.97 178.79 3gni h ASN 269 N 0.65 -0.38 -0.29 -3.80 2.35 -1.98 -2.29 115.58 109.85 3gni h ASN 269 Ca 0.28 0.05 0.05 0.00 -0.55 0.00 0.00 56.30 56.14 3gni h ASN 269 Cb 0.16 0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.64 3gni h ASN 269 CO -0.17 -0.19 -0.04 0.40 -1.65 0.00 0.00 177.43 175.77 3gni h ILE 270 N -0.24 0.74 0.00 2.81 1.08 -1.88 -1.79 117.51 118.23 3gni h ILE 270 Ca 0.04 -0.01 -0.04 0.00 -0.39 0.00 0.00 64.86 64.45 3gni h ILE 270 Cb 0.28 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 34.73 3gni h ILE 270 CO -0.11 0.01 -0.20 0.06 -0.69 0.00 0.00 178.15 177.21 3gni h GLN 271 N 0.03 0.00 -0.25 2.37 3.07 -1.20 -0.03 115.11 119.10 3gni h GLN 271 Ca 0.14 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.71 3gni h GLN 271 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.76 3gni h GLN 271 CO -0.27 0.20 -0.49 0.35 0.09 0.00 0.00 178.83 178.71 3gni h PHE 272 N 0.00 0.97 0.00 0.06 3.57 -1.08 -1.72 116.94 118.74 3gni h PHE 272 Ca -0.00 -0.35 -0.11 0.00 3.53 0.00 0.00 57.97 61.04 3gni h PHE 272 Cb 0.36 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3gni h PHE 272 CO 0.00 1.15 -0.50 0.93 -2.23 0.00 0.00 178.31 177.66 3gni h GLU 273 N 0.52 0.00 -0.57 1.11 5.08 -1.01 -2.80 114.58 116.91 3gni h GLU 273 Ca 0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3gni h GLU 273 Cb 1.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 3gni h GLU 273 CO 0.11 0.50 0.25 0.00 -1.00 0.00 0.00 179.01 178.88 3gni h ALA 274 N 1.50 0.74 -0.60 3.43 0.00 -0.97 -3.16 119.26 120.20 3gni h ALA 274 Ca -0.01 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.87 3gni h ALA 274 Cb 0.97 -0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 3gni h ALA 274 CO 0.07 0.33 0.16 0.35 0.00 0.00 0.00 179.25 180.16 3gni h PHE 275 N 0.78 0.27 -0.65 0.00 3.57 -1.05 0.78 116.94 120.63 3gni h PHE 275 Ca 0.19 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.87 3gni h PHE 275 Cb 0.16 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 3gni h PHE 275 CO 0.00 0.01 0.45 1.25 -2.23 0.00 0.00 178.31 177.79 3gni h HIS 276 N 0.31 0.29 0.07 0.41 2.76 -1.48 0.52 115.15 118.03 3gni h HIS 276 Ca 0.31 0.01 -0.32 0.00 -2.20 0.00 0.00 60.37 58.17 3gni h HIS 276 Cb 0.45 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.29 3gni h HIS 276 CO -0.22 0.12 -1.77 0.28 -1.30 0.00 0.00 177.93 175.03 3gni n VAL 277 N -4.44 1.68 -0.23 5.26 0.31 -0.77 -4.32 118.33 115.82 3gni n VAL 277 Ca 0.12 -0.42 0.03 0.00 -0.01 0.00 0.00 64.34 64.06 3gni n VAL 277 Cb 0.54 -1.84 0.15 0.00 -0.91 0.00 0.00 33.84 31.78 3gni n VAL 277 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 3gni h PHE 278 N -0.35 0.43 -0.59 3.52 3.57 -0.50 -1.76 116.94 121.25 3gni h PHE 278 Ca -0.41 0.03 0.17 0.00 3.53 0.00 0.00 57.97 61.29 3gni h PHE 278 Cb 1.75 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 40.38 3gni h PHE 278 CO 0.08 0.07 0.47 1.57 -2.23 0.00 0.00 178.31 178.27 3gni h LYS 279 N 0.41 0.00 0.08 1.11 2.10 -1.09 -2.09 116.57 117.10 3gni h LYS 279 Ca 0.36 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.74 3gni h LYS 279 Cb 0.51 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.85 3gni h LYS 279 CO -0.37 0.00 -1.16 0.28 -2.00 0.00 0.00 179.45 176.21 3gni h VAL 280 N 0.00 1.36 -0.73 0.07 2.07 -1.52 -1.69 116.25 115.81 3gni h VAL 280 Ca 0.28 -2.56 0.09 0.00 0.82 0.00 0.00 66.70 65.33 3gni h VAL 280 Cb 1.22 2.65 -0.05 0.00 -1.52 0.00 0.00 31.29 33.60 3gni h VAL 280 CO -0.00 0.77 0.48 -0.26 0.02 0.00 0.00 177.57 178.58 3gni h PHE 281 N 0.23 0.69 0.07 1.57 -1.00 -1.43 -2.65 116.94 114.41 3gni h PHE 281 Ca -0.15 0.02 -0.34 0.00 2.81 0.00 0.00 57.97 60.32 3gni h PHE 281 Cb 1.83 -0.22 -0.03 0.00 3.61 0.00 0.00 35.95 41.13 3gni h PHE 281 CO 0.09 0.33 -1.91 0.28 -1.61 0.00 0.00 178.31 175.49 3gni n VAL 282 N -4.49 1.69 0.27 -0.55 0.31 -1.19 -3.90 118.33 110.47 3gni n VAL 282 Ca 0.12 -0.72 0.15 0.00 -0.01 0.00 0.00 64.34 63.88 3gni n VAL 282 Cb 0.31 -1.40 0.78 0.00 -0.91 0.00 0.00 33.84 32.63 3gni n VAL 282 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gni h ALA 283 N 0.48 1.17 -2.23 3.52 0.00 -1.26 -3.44 119.26 117.50 3gni h ALA 283 Ca -0.38 -0.08 -0.55 0.00 0.00 0.00 0.00 54.91 53.90 3gni h ALA 283 Cb 2.03 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 19.82 3gni h ALA 283 CO 0.08 0.11 1.27 -1.71 0.00 0.00 0.00 179.25 178.99 3gni n ASN 284 N -3.43 3.91 0.21 0.00 5.15 -1.01 -4.90 115.26 115.18 3gni n ASN 284 Ca -0.01 0.78 0.14 0.00 -0.60 0.00 0.00 54.58 54.89 3gni n ASN 284 Cb 0.24 -1.51 0.41 0.00 -0.53 0.00 0.00 39.78 38.39 3gni n ASN 284 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3gni h PRO 285 N 11.24 0.00 -1.98 1.20 0.14 -1.92 -3.34 132.00 137.34 3gni h PRO 285 Ca -0.48 0.00 -0.68 0.00 0.14 0.00 0.00 66.00 64.98 3gni h PRO 285 Cb 1.25 0.00 -0.35 0.00 0.14 0.00 0.00 31.00 32.03 3gni h PRO 285 CO 0.95 0.00 0.10 0.09 0.14 0.00 0.00 178.00 179.27 3gni n ASN 286 N -2.84 5.90 -4.72 1.44 4.13 -1.26 -5.05 115.26 112.87 3gni n ASN 286 Ca 0.03 -3.74 -0.42 0.00 1.68 0.00 0.00 54.58 52.13 3gni n ASN 286 Cb 0.40 -0.78 -0.03 0.00 -1.54 0.00 0.00 39.78 37.83 3gni n ASN 286 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3gni s LYS 287 N -3.82 4.35 0.87 3.52 1.02 -1.26 -5.02 119.74 119.40 3gni s LYS 287 Ca 0.47 2.00 -0.11 0.00 0.02 0.00 0.00 55.97 58.35 3gni s LYS 287 Cb 0.34 -3.26 0.11 0.00 -0.52 0.00 0.00 37.83 34.50 3gni s LYS 287 CO -0.22 -0.37 1.09 0.95 -0.92 0.00 0.00 175.35 175.88 3gni s THR 288 N 0.97 2.81 0.11 2.17 -4.23 -1.26 -4.75 115.64 111.46 3gni s THR 288 Ca 0.62 0.26 -0.21 0.00 -1.18 0.00 0.00 61.69 61.19 3gni s THR 288 Cb -0.35 -2.73 -0.09 0.00 1.34 0.00 0.00 72.50 70.68 3gni s THR 288 CO 0.31 -0.34 1.73 -0.61 -0.54 0.00 0.00 174.62 175.17 3gni h GLN 289 N -1.46 0.05 0.00 3.99 5.75 -1.95 0.14 115.11 121.63 3gni h GLN 289 Ca -0.48 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.02 3gni h GLN 289 Cb 1.27 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 29.81 3gni h GLN 289 CO 0.53 0.03 -0.01 -1.35 -2.65 0.00 0.00 178.83 175.38 3gni h PRO 290 N 0.05 0.00 -0.01 -2.39 0.11 -1.93 0.24 132.00 128.07 3gni h PRO 290 Ca 0.05 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.13 3gni h PRO 290 Cb 0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.17 3gni h PRO 290 CO -0.09 0.01 -0.14 0.82 -0.21 0.00 0.00 178.00 178.40 3gni h ILE 291 N 0.00 1.55 -1.00 4.15 1.08 -1.73 -3.03 117.51 118.53 3gni h ILE 291 Ca -0.00 -1.80 0.01 0.00 -0.39 0.00 0.00 64.86 62.68 3gni h ILE 291 Cb 0.03 2.70 -0.05 0.00 -3.07 0.00 0.00 36.82 36.43 3gni h ILE 291 CO 0.00 0.48 0.66 0.25 -0.69 0.00 0.00 178.15 178.86 3gni h LEU 292 N -0.57 1.14 -0.94 1.44 5.85 -0.40 -2.20 115.31 119.63 3gni h LEU 292 Ca -0.01 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.73 3gni h LEU 292 Cb 0.87 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 3gni h LEU 292 CO 0.03 0.82 0.61 0.44 -0.34 0.00 0.00 178.44 180.00 3gni h ASP 293 N 1.35 0.99 -0.07 1.25 5.19 -0.60 -1.72 116.42 122.81 3gni h ASP 293 Ca 0.37 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.62 3gni h ASP 293 Cb -0.14 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.15 3gni h ASP 293 CO -0.08 0.65 -0.51 0.40 -3.12 0.00 0.00 179.24 176.58 3gni h ILE 294 N 1.14 1.31 -0.17 0.35 2.04 -1.28 -1.97 117.51 118.92 3gni h ILE 294 Ca 0.39 -1.73 -0.16 0.00 1.00 0.00 0.00 64.86 64.36 3gni h ILE 294 Cb 0.09 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3gni h ILE 294 CO -0.15 0.55 -0.51 -0.07 0.00 0.00 0.00 178.15 177.97 3gni h LEU 295 N 0.50 0.75 -1.02 1.44 3.38 -1.27 -2.89 115.31 116.19 3gni h LEU 295 Ca 0.02 -0.59 -0.08 0.00 0.09 0.00 0.00 57.88 57.32 3gni h LEU 295 Cb 1.07 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 3gni h LEU 295 CO 0.10 1.20 -0.11 -0.07 0.09 0.00 0.00 178.44 179.65 3gni h LEU 296 N 0.33 0.55 -1.09 1.67 3.38 -1.36 -1.57 115.31 117.23 3gni h LEU 296 Ca -0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3gni h LEU 296 Cb 1.13 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 3gni h LEU 296 CO 0.11 0.70 0.34 0.50 0.09 0.00 0.00 178.44 180.18 3gni h LYS 297 N 0.53 0.98 -0.35 1.13 1.63 -1.34 -3.06 116.57 116.09 3gni h LYS 297 Ca 0.10 -0.13 -0.06 0.00 -0.85 0.00 0.00 60.65 59.71 3gni h LYS 297 Cb 0.51 -0.19 -0.04 0.00 -0.60 0.00 0.00 32.23 31.92 3gni h LYS 297 CO 0.03 0.75 0.02 0.09 -3.45 0.00 0.00 179.45 176.90 3gni n ASN 298 N -4.34 3.83 0.08 4.20 3.02 -1.10 -4.83 115.26 116.13 3gni n ASN 298 Ca 0.07 -3.18 -0.13 0.00 -0.03 0.00 0.00 54.58 51.30 3gni n ASN 298 Cb 0.13 -0.59 -0.07 0.00 -0.61 0.00 0.00 39.78 38.64 3gni n ASN 298 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 3gni h GLN 299 N 1.85 -0.56 -0.74 3.52 4.15 -1.18 0.15 115.11 122.31 3gni h GLN 299 Ca 0.07 0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.48 3gni h GLN 299 Cb 1.62 0.13 -0.03 0.00 0.21 0.00 0.00 27.48 29.41 3gni h GLN 299 CO 0.33 -0.37 0.27 0.00 -1.93 0.00 0.00 178.83 177.13 3gni h ALA 300 N -0.01 1.08 -0.50 3.38 0.00 -1.88 -2.59 119.26 118.74 3gni h ALA 300 Ca 0.04 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 3gni h ALA 300 Cb 0.64 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3gni h ALA 300 CO -0.28 0.64 -0.08 0.87 0.00 0.00 0.00 179.25 180.40 3gni h LYS 301 N 1.08 0.94 -0.25 0.00 1.57 -1.76 -2.49 116.57 115.67 3gni h LYS 301 Ca 0.24 -0.34 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 3gni h LYS 301 Cb 0.24 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3gni h LYS 301 CO -0.02 1.00 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.80 3gni h LEU 302 N 0.80 0.43 -0.53 2.94 3.38 -0.66 0.35 115.31 122.03 3gni h LEU 302 Ca 0.13 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.86 3gni h LEU 302 Cb 0.63 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.21 3gni h LEU 302 CO 0.04 0.63 0.22 0.40 0.09 0.00 0.00 178.44 179.83 3gni h ILE 303 N 0.21 0.87 -0.16 1.22 2.04 -1.46 0.08 117.51 120.31 3gni h ILE 303 Ca 0.07 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 3gni h ILE 303 Cb 0.41 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 3gni h ILE 303 CO 0.01 0.08 0.03 -0.08 0.00 0.00 0.00 178.15 178.19 3gni h GLU 304 N 0.43 0.27 -0.30 2.37 4.57 -1.31 -2.54 114.58 118.06 3gni h GLU 304 Ca 0.25 -0.07 0.04 0.00 -1.18 0.00 0.00 59.36 58.40 3gni h GLU 304 Cb 0.23 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.76 3gni h GLU 304 CO -0.22 0.44 0.08 0.35 -1.18 0.00 0.00 179.01 178.48 3gni h PHE 305 N 0.06 0.13 -0.05 0.92 3.04 -0.65 -2.96 116.94 117.43 3gni h PHE 305 Ca 0.05 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.94 3gni h PHE 305 Cb 0.30 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.79 3gni h PHE 305 CO 0.02 0.04 -0.35 -0.07 -2.02 0.00 0.00 178.31 175.93 3gni h LEU 306 N 0.19 0.10 -1.70 0.59 3.38 -0.99 -2.49 115.31 114.39 3gni h LEU 306 Ca 0.14 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3gni h LEU 306 Cb 0.13 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3gni h LEU 306 CO -0.17 0.44 -0.18 0.28 0.09 0.00 0.00 178.44 178.90 3gni h SER 307 N 0.08 0.00 -0.13 -0.43 0.02 -1.28 -3.12 113.55 108.69 3gni h SER 307 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3gni h SER 307 Cb 0.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.20 3gni h SER 307 CO 0.05 0.18 0.00 0.29 -1.14 0.00 0.00 176.83 176.21 3gni n LYS 308 N -3.95 2.10 -3.01 3.45 4.76 -1.03 -4.91 118.16 115.57 3gni n LYS 308 Ca -0.02 -2.67 -0.43 0.00 -2.87 0.00 0.00 58.31 52.32 3gni n LYS 308 Cb 0.27 -1.64 -0.06 0.00 -1.84 0.00 0.00 35.03 31.76 3gni n LYS 308 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 3gni s PHE 309 N -2.78 3.01 -1.37 2.13 5.36 -0.97 -4.27 117.98 119.09 3gni s PHE 309 Ca 0.36 0.07 -0.14 0.00 -0.96 0.00 0.00 56.93 56.26 3gni s PHE 309 Cb 0.30 -3.59 0.01 0.00 -0.34 0.00 0.00 43.02 39.41 3gni s PHE 309 CO 0.06 -0.97 0.40 1.04 -1.46 0.00 0.00 175.22 174.28 3gni n GLN 310 N 6.60 -1.18 0.31 10.12 6.02 -1.26 -4.85 117.38 133.14 3gni n GLN 310 Ca 0.01 0.18 0.19 0.00 -0.01 0.00 0.00 57.00 57.38 3gni n GLN 310 Cb 0.48 -3.46 1.02 0.00 1.02 0.00 0.00 30.24 29.30 3gni n GLN 310 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 3gni h ASN 311 N -2.10 0.00 0.88 1.08 2.35 -1.91 -1.70 115.58 114.17 3gni h ASN 311 Ca -0.67 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.08 3gni h ASN 311 Cb 1.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.76 3gni h ASN 311 CO 0.60 0.02 0.00 -0.90 -1.65 0.00 0.00 177.43 175.50 3gni n ASP 312 N -3.30 0.01 -4.56 5.81 5.75 -1.26 -4.48 116.55 114.52 3gni n ASP 312 Ca -0.02 0.50 -0.39 0.00 -0.01 0.00 0.00 54.79 54.86 3gni n ASP 312 Cb 0.13 -0.50 -0.03 0.00 -1.03 0.00 0.00 41.12 39.68 3gni n ASP 312 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 3gni s ARG 313 N -3.00 3.35 -0.20 0.11 3.52 -0.64 -4.86 118.95 117.22 3gni s ARG 313 Ca 0.12 -0.76 -0.02 0.00 -0.13 0.00 0.00 55.73 54.94 3gni s ARG 313 Cb 0.17 -5.02 -0.21 0.00 -1.56 0.00 0.00 34.95 28.33 3gni s ARG 313 CO 0.46 -2.34 0.02 -2.37 -0.81 0.00 0.00 175.30 170.26 3gni n THR 314 N 6.89 1.61 -1.41 4.11 5.66 -1.26 -4.41 114.28 125.48 3gni n THR 314 Ca 0.26 -0.60 0.01 0.00 -3.05 0.00 0.00 64.05 60.67 3gni n THR 314 Cb 0.50 -1.56 0.20 0.00 -1.55 0.00 0.00 70.33 67.92 3gni n THR 314 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 3gni n GLU 315 N -3.37 1.85 -2.91 1.09 -0.00 -1.26 -4.82 120.64 111.20 3gni n GLU 315 Ca -0.40 -3.13 -0.44 0.00 -0.00 0.00 0.00 57.16 53.19 3gni n GLU 315 Cb 1.01 -1.75 -0.03 0.00 -0.00 0.00 0.00 31.44 30.67 3gni n GLU 315 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3gni s ASP 316 N -2.67 6.39 0.35 -1.84 -1.08 -1.26 -4.91 116.67 111.65 3gni s ASP 316 Ca 0.42 -1.53 0.14 0.00 -0.52 0.00 0.00 52.55 51.06 3gni s ASP 316 Cb 0.38 -2.40 0.65 0.00 -1.46 0.00 0.00 42.92 40.09 3gni s ASP 316 CO -0.01 -1.23 1.76 -0.33 0.52 0.00 0.00 175.17 175.88 3gni h GLU 317 N 9.19 0.00 0.27 4.34 5.08 -1.94 -2.68 114.58 128.83 3gni h GLU 317 Ca -0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3gni h GLU 317 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3gni h GLU 317 CO 1.14 0.43 -0.13 0.37 -1.00 0.00 0.00 179.01 179.82 3gni h GLN 318 N 0.00 -0.35 -0.80 2.33 4.15 -1.99 -2.53 115.11 115.92 3gni h GLN 318 Ca -0.00 0.02 0.14 0.00 0.77 0.00 0.00 58.65 59.58 3gni h GLN 318 Cb 0.81 0.08 -0.09 0.00 0.21 0.00 0.00 27.48 28.49 3gni h GLN 318 CO 0.06 -0.08 0.37 0.35 -1.93 0.00 0.00 178.83 177.59 3gni h PHE 319 N -0.60 0.63 -0.02 3.99 3.57 -1.97 0.12 116.94 122.66 3gni h PHE 319 Ca -0.04 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 3gni h PHE 319 Cb 0.43 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.01 3gni h PHE 319 CO 0.00 0.12 0.00 -0.91 -2.23 0.00 0.00 178.31 175.29 3gni h ASN 320 N 0.53 0.03 -0.40 0.41 2.35 -1.51 -1.53 115.58 115.45 3gni h ASN 320 Ca 0.44 -0.29 -0.10 0.00 -0.55 0.00 0.00 56.30 55.81 3gni h ASN 320 Cb 0.65 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 3gni h ASN 320 CO -0.38 0.31 -0.09 0.44 -1.65 0.00 0.00 177.43 176.05 3gni h ASP 321 N -0.26 0.84 -0.24 5.81 3.32 -1.27 -2.08 116.42 122.54 3gni h ASP 321 Ca 0.00 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 56.81 3gni h ASP 321 Cb 0.29 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3gni h ASP 321 CO 0.00 0.96 0.15 -0.33 -1.72 0.00 0.00 179.24 178.30 3gni h GLU 322 N 0.77 0.30 -0.91 3.56 5.08 -0.74 -1.11 114.58 121.53 3gni h GLU 322 Ca 0.13 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.49 3gni h GLU 322 Cb 0.59 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.73 3gni h GLU 322 CO 0.04 0.20 0.60 0.87 -1.00 0.00 0.00 179.01 179.71 3gni h LYS 323 N 0.31 1.16 -0.47 2.33 1.57 -1.11 -0.91 116.57 119.45 3gni h LYS 323 Ca 0.09 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3gni h LYS 323 Cb -0.02 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.00 3gni h LYS 323 CO -0.03 0.77 0.30 1.15 -0.57 0.00 0.00 179.45 181.07 3gni h THR 324 N 1.19 1.09 -0.28 -0.16 2.02 -1.16 -2.26 112.91 113.35 3gni h THR 324 Ca 0.35 -0.21 -0.02 0.00 0.77 0.00 0.00 66.41 67.30 3gni h THR 324 Cb -0.08 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 3gni h THR 324 CO -0.09 0.11 0.09 0.22 0.37 0.00 0.00 175.52 176.22 3gni h TYR 325 N 0.60 0.45 -0.78 3.16 3.20 -0.72 -2.07 116.97 120.81 3gni h TYR 325 Ca 0.18 -0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3gni h TYR 325 Cb -0.03 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.07 3gni h TYR 325 CO -0.05 0.48 0.40 -0.07 -1.64 0.00 0.00 178.16 177.27 3gni h LEU 326 N 0.29 1.01 -0.12 2.82 3.38 -1.14 0.21 115.31 121.77 3gni h LEU 326 Ca 0.09 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3gni h LEU 326 Cb 0.24 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3gni h LEU 326 CO -0.00 0.85 0.05 0.58 0.09 0.00 0.00 178.44 180.01 3gni h VAL 327 N 1.10 1.14 -0.26 1.22 2.07 -1.29 -1.24 116.25 119.00 3gni h VAL 327 Ca 0.27 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 67.43 3gni h VAL 327 Cb 0.09 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3gni h VAL 327 CO -0.04 0.13 -0.02 0.50 0.02 0.00 0.00 177.57 178.16 3gni h LYS 328 N 0.05 0.05 -0.37 1.57 3.64 -1.16 -0.91 116.57 119.45 3gni h LYS 328 Ca 0.04 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.48 3gni h LYS 328 Cb 0.15 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.91 3gni h LYS 328 CO -0.00 0.03 0.06 1.96 -2.27 0.00 0.00 179.45 179.23 3gni h GLN 329 N 0.05 0.17 -0.14 1.90 1.08 -0.71 0.88 115.11 118.35 3gni h GLN 329 Ca 0.12 -0.01 -0.14 0.00 -1.45 0.00 0.00 58.65 57.17 3gni h GLN 329 Cb 0.17 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 3gni h GLN 329 CO -0.23 0.11 -0.53 0.82 -0.95 0.00 0.00 178.83 178.05 3gni h ILE 330 N 0.18 1.34 -0.43 2.54 2.04 -1.08 -2.67 117.51 119.43 3gni h ILE 330 Ca 0.18 -1.80 -0.10 0.00 1.00 0.00 0.00 64.86 64.14 3gni h ILE 330 Cb 0.22 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 3gni h ILE 330 CO -0.25 0.54 -0.16 -0.09 0.00 0.00 0.00 178.15 178.20 3gni h ARG 331 N 0.30 0.80 0.00 2.37 2.43 -0.75 -2.84 114.38 116.69 3gni h ARG 331 Ca 0.01 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 3gni h ARG 331 Cb 1.03 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 3gni h ARG 331 CO 0.09 0.90 0.00 -0.25 -1.51 0.00 0.00 179.97 179.21 3gni n ASP 332 N -4.14 0.00 -4.68 -3.80 8.00 0.27 -4.80 116.55 107.40 3gni n ASP 332 Ca 0.01 -0.40 -0.42 0.00 0.71 0.00 0.00 54.79 54.68 3gni n ASP 332 Cb 0.40 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.35 3gni n ASP 332 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3gni s LEU 333 N -2.24 4.28 -0.03 0.64 1.43 -1.08 -5.01 118.68 116.67 3gni s LEU 333 Ca 0.28 1.95 0.02 0.00 -1.03 0.00 0.00 54.13 55.35 3gni s LEU 333 Cb 0.15 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.78 3gni s LEU 333 CO 0.28 -0.71 -0.05 -0.54 0.23 0.00 0.00 176.35 175.56 3gni s LYS 334 N 2.76 2.69 -0.23 1.70 -0.14 -1.26 -5.08 119.74 120.18 3gni s LYS 334 Ca 0.61 -0.62 -0.18 0.00 -1.36 0.00 0.00 55.97 54.42 3gni s LYS 334 Cb -0.28 -2.58 -0.03 0.00 -1.68 0.00 0.00 37.83 33.26 3gni s LYS 334 CO 0.23 0.64 0.49 0.50 -0.76 0.00 0.00 175.35 176.45 3gni s ARG 335 N -1.18 4.12 0.00 1.68 3.52 -1.26 -5.13 118.95 120.69 3gni s ARG 335 Ca 0.15 0.31 0.31 0.00 -0.13 0.00 0.00 55.73 56.38 3gni s ARG 335 Cb -0.11 -3.61 1.68 0.00 -1.56 0.00 0.00 34.95 31.35 3gni s ARG 335 CO 0.05 -0.24 2.10 -0.35 -0.81 0.00 0.00 175.30 176.05