#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2axl n ASP 2 N 0.00 2.03 -0.22 3.17 8.00 -1.26 -4.19 116.55 124.08 2axl n ASP 2 Ca 0.00 -1.75 -0.06 0.00 0.71 0.00 0.00 54.79 53.69 2axl n ASP 2 Cb 0.00 -0.11 0.04 0.00 -0.02 0.00 0.00 41.12 41.03 2axl n ASP 2 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2axl h ASP 3 N 2.76 0.74 -3.71 -2.24 3.32 -2.06 -3.38 116.42 111.85 2axl h ASP 3 Ca 0.00 -0.05 -0.66 0.00 0.02 0.00 0.00 57.03 56.34 2axl h ASP 3 Cb 0.60 -0.19 -0.17 0.00 0.22 0.00 0.00 39.33 39.79 2axl h ASP 3 CO 0.00 0.57 -0.36 -0.55 -1.72 0.00 0.00 179.24 177.18 2axl s SER 4 N -5.83 6.14 0.54 6.45 0.15 -1.26 -5.05 113.70 114.83 2axl s SER 4 Ca -0.13 -0.21 -0.21 0.00 0.70 0.00 0.00 55.95 56.09 2axl s SER 4 Cb 0.13 -2.17 -0.06 0.00 -1.71 0.00 0.00 66.02 62.21 2axl s SER 4 CO 0.77 -0.26 1.22 -1.84 1.20 0.00 0.00 173.24 174.32 2axl n GLU 5 N 5.27 1.47 -0.30 5.44 0.00 -1.26 -4.96 120.64 126.30 2axl n GLU 5 Ca -0.11 0.54 -0.29 0.00 0.00 0.00 0.00 57.16 57.31 2axl n GLU 5 Cb 0.50 -2.41 0.28 0.00 0.00 0.00 0.00 31.44 29.81 2axl n GLU 5 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2axl n ASP 6 N -0.71 -3.62 -4.29 -1.84 8.00 -1.26 -4.99 116.55 107.83 2axl n ASP 6 Ca 0.11 -0.69 -0.28 0.00 0.71 0.00 0.00 54.79 54.64 2axl n ASP 6 Cb 0.44 -1.04 -0.15 0.00 -0.02 0.00 0.00 41.12 40.36 2axl n ASP 6 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2axl s THR 7 N -2.17 1.90 -0.30 -3.53 -1.32 -1.18 -4.39 115.64 104.66 2axl s THR 7 Ca 0.65 -1.26 -0.05 0.00 -1.21 0.00 0.00 61.69 59.82 2axl s THR 7 Cb -0.14 -1.63 0.19 0.00 -1.51 0.00 0.00 72.50 69.40 2axl s THR 7 CO 0.57 0.31 0.76 -0.44 -2.21 0.00 0.00 174.62 173.62 2axl s SER 8 N -1.14 -1.07 0.00 8.08 0.01 0.49 0.35 113.70 120.42 2axl s SER 8 Ca 0.10 0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.93 2axl s SER 8 Cb -0.09 1.86 0.00 0.00 0.21 0.00 0.00 66.02 68.00 2axl s SER 8 CO 0.02 -0.20 0.00 -2.67 0.41 0.00 0.00 173.24 170.80 2axl n TRP 9 N 5.43 0.00 -3.56 2.43 4.27 -1.18 -4.74 117.44 120.09 2axl n TRP 9 Ca -0.02 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.22 2axl n TRP 9 Cb 0.53 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 30.38 2axl n TRP 9 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 2axl s ASP 10 N 0.00 6.13 -0.44 -0.67 -1.08 -1.26 0.52 116.67 119.87 2axl s ASP 10 Ca 0.00 0.13 0.09 0.00 -0.52 0.00 0.00 52.55 52.25 2axl s ASP 10 Cb 0.00 -2.14 0.29 0.00 -1.46 0.00 0.00 42.92 39.61 2axl s ASP 10 CO 0.00 -0.04 0.68 0.33 0.52 0.00 0.00 175.17 176.66 2axl n PHE 11 N 4.80 0.94 -0.17 -5.34 -0.00 -1.23 -4.94 117.46 111.51 2axl n PHE 11 Ca -0.13 -3.79 -0.03 0.00 -0.00 0.00 0.00 57.45 53.50 2axl n PHE 11 Cb 0.52 -0.42 0.03 0.00 -0.00 0.00 0.00 39.48 39.61 2axl n PHE 11 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 2axl h GLY 12 N 3.57 0.25 -0.84 7.13 0.00 -1.83 -1.83 103.07 109.53 2axl h GLY 12 Ca 0.11 0.24 0.15 0.00 0.00 0.00 0.00 47.33 47.83 2axl h GLY 12 CO 0.57 -0.21 -0.26 -1.05 0.00 0.00 0.00 176.54 175.59 2axl n PRO 13 N -5.40 -0.13 -0.33 4.80 -0.02 -1.26 0.19 135.00 132.84 2axl n PRO 13 Ca 0.05 1.30 0.01 0.00 -2.02 0.00 0.00 63.50 62.84 2axl n PRO 13 Cb 0.31 -1.93 0.15 0.00 -0.02 0.00 0.00 33.50 32.00 2axl n PRO 13 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2axl h GLN 14 N 0.00 1.03 -0.39 -0.52 4.20 -1.75 0.48 115.11 118.16 2axl h GLN 14 Ca 0.35 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.92 2axl h GLN 14 Cb 0.56 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 2axl h GLN 14 CO -0.85 0.68 -0.10 0.00 -0.67 0.00 0.00 178.83 177.89 2axl h ALA 15 N 1.42 1.10 -0.41 3.87 0.00 0.20 0.32 119.26 125.75 2axl h ALA 15 Ca 0.40 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2axl h ALA 15 Cb 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2axl h ALA 15 CO -0.17 0.56 0.21 0.74 0.00 0.00 0.00 179.25 180.59 2axl h PHE 16 N 0.62 0.58 -0.31 0.00 0.04 0.20 2.39 116.94 120.46 2axl h PHE 16 Ca 0.11 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.86 2axl h PHE 16 Cb 0.54 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 2axl h PHE 16 CO 0.02 0.47 0.19 0.87 -0.60 0.00 0.00 178.31 179.26 2axl h LYS 17 N 0.53 0.41 -0.00 1.51 1.57 0.11 2.61 116.57 123.31 2axl h LYS 17 Ca 0.14 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2axl h LYS 17 Cb 0.09 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2axl h LYS 17 CO -0.02 0.29 -0.00 1.25 -0.57 0.00 0.00 179.45 180.40 2axl h LEU 18 N 0.40 0.00 -0.59 2.94 5.85 0.28 -2.80 115.31 121.40 2axl h LEU 18 Ca 0.11 -0.68 -0.01 0.00 0.84 0.00 0.00 57.88 58.13 2axl h LEU 18 Cb -0.02 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2axl h LEU 18 CO -0.02 0.69 0.31 -0.07 -0.34 0.00 0.00 178.44 179.01 2axl h LEU 19 N -0.68 0.74 -0.75 2.25 3.38 0.42 -2.66 115.31 118.02 2axl h LEU 19 Ca -0.00 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 2axl h LEU 19 Cb 0.69 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2axl h LEU 19 CO 0.00 0.63 -0.51 -1.28 0.09 0.00 0.00 178.44 177.37 2axl h SER 20 N 0.79 0.32 -0.37 -0.43 0.87 0.45 -2.91 113.55 112.28 2axl h SER 20 Ca 0.21 -0.16 -0.08 0.00 -1.23 0.00 0.00 61.79 60.53 2axl h SER 20 Cb 0.06 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2axl h SER 20 CO -0.03 0.78 -0.06 0.00 -0.53 0.00 0.00 176.83 176.99 2axl h ALA 21 N 1.23 0.51 -0.73 6.23 0.00 -1.31 -0.05 119.26 125.13 2axl h ALA 21 Ca 0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2axl h ALA 21 Cb 0.98 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2axl h ALA 21 CO 0.08 0.34 0.42 -0.39 0.00 0.00 0.00 179.25 179.70 2axl h VAL 22 N 0.50 1.22 -0.07 0.00 -1.51 -1.50 0.10 116.25 114.99 2axl h VAL 22 Ca 0.10 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 65.05 2axl h VAL 22 Cb 0.56 0.23 -0.00 0.00 -2.13 0.00 0.00 31.29 29.94 2axl h VAL 22 CO 0.03 0.23 0.04 -0.78 -1.23 0.00 0.00 177.57 175.87 2axl h ASP 23 N 1.01 0.08 -0.66 4.19 1.82 -1.30 1.97 116.42 123.53 2axl h ASP 23 Ca 0.26 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.87 2axl h ASP 23 Cb 0.01 -0.02 -0.03 0.00 0.68 0.00 0.00 39.33 39.97 2axl h ASP 23 CO -0.05 0.07 0.36 0.40 -1.61 0.00 0.00 179.24 178.41 2axl h ILE 24 N 0.08 1.21 0.00 2.25 1.08 -0.47 0.60 117.51 122.25 2axl h ILE 24 Ca 0.02 -0.53 0.00 0.00 -0.39 0.00 0.00 64.86 63.97 2axl h ILE 24 Cb 0.00 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 34.11 2axl h ILE 24 CO -0.01 0.23 0.00 0.18 -0.69 0.00 0.00 178.15 177.86 2axl n LEU 25 N -4.52 0.00 -1.69 1.44 4.77 0.30 -4.78 117.00 112.52 2axl n LEU 25 Ca 0.05 0.08 -0.16 0.00 -0.03 0.00 0.00 56.01 55.95 2axl n LEU 25 Cb 0.09 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 2axl n LEU 25 CO 0.37 -0.05 -0.19 0.61 -1.33 0.00 0.00 177.39 176.80 2axl n GLY 26 N -0.17 0.27 2.41 -0.72 0.00 0.21 -2.73 105.19 104.46 2axl n GLY 26 Ca 0.09 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 2axl n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2axl n GLU 27 N -2.56 -1.55 -0.88 1.61 1.02 0.63 -4.82 120.64 114.08 2axl n GLU 27 Ca -0.19 0.79 -0.18 0.00 -0.02 0.00 0.00 57.16 57.56 2axl n GLU 27 Cb 0.62 -5.01 0.12 0.00 -0.02 0.00 0.00 31.44 27.14 2axl n GLU 27 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2axl n LYS 28 N -1.21 1.91 -3.85 3.49 4.76 -1.11 -4.88 118.16 117.28 2axl n LYS 28 Ca -0.11 -2.12 -0.11 0.00 -2.87 0.00 0.00 58.31 53.10 2axl n LYS 28 Cb 0.49 -1.83 -0.09 0.00 -1.84 0.00 0.00 35.03 31.76 2axl n LYS 28 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2axl s PHE 29 N -2.34 0.05 0.00 2.13 0.40 -1.26 -5.07 117.98 111.88 2axl s PHE 29 Ca 0.40 -0.23 0.00 0.00 -0.60 0.00 0.00 56.93 56.51 2axl s PHE 29 Cb 0.34 -0.03 0.00 0.00 0.51 0.00 0.00 43.02 43.83 2axl s PHE 29 CO 0.07 -0.39 0.00 0.41 0.70 0.00 0.00 175.22 176.00 2axl n GLY 30 N 0.89 0.55 0.16 4.36 0.00 -1.26 -3.86 105.19 106.02 2axl n GLY 30 Ca -0.20 -1.87 -0.01 0.00 0.00 0.00 0.00 46.02 43.94 2axl n GLY 30 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2axl h ILE 31 N -0.21 1.39 0.13 -0.61 2.10 -1.79 -3.35 117.51 115.17 2axl h ILE 31 Ca 0.00 -1.87 0.02 0.00 1.08 0.00 0.00 64.86 64.09 2axl h ILE 31 Cb 0.00 1.99 -0.04 0.00 -1.09 0.00 0.00 36.82 37.69 2axl h ILE 31 CO 0.00 0.54 -0.30 1.23 -1.08 0.00 0.00 178.15 178.54 2axl h GLY 32 N 1.60 -0.57 0.70 8.18 0.00 -1.91 0.97 103.07 112.04 2axl h GLY 32 Ca -0.00 0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.67 2axl h GLY 32 CO 0.07 -0.24 -0.03 -2.00 0.00 0.00 0.00 176.54 174.34 2axl h LEU 33 N -0.52 -0.08 -0.76 3.11 5.85 -1.96 -3.18 115.31 117.77 2axl h LEU 33 Ca 0.03 -0.27 -0.13 0.00 0.84 0.00 0.00 57.88 58.35 2axl h LEU 33 Cb 0.55 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 2axl h LEU 33 CO -0.17 0.23 -0.55 1.55 -0.34 0.00 0.00 178.44 179.16 2axl h PRO 34 N -0.40 0.20 -0.37 5.25 0.13 -1.69 -3.00 132.00 132.12 2axl h PRO 34 Ca -0.01 -0.12 -0.03 0.00 -0.87 0.00 0.00 66.00 64.97 2axl h PRO 34 Cb 0.35 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.47 2axl h PRO 34 CO 0.02 0.70 0.13 0.97 -0.23 0.00 0.00 178.00 179.58 2axl h ILE 35 N 0.15 1.21 -0.53 -3.56 2.10 -0.88 -1.33 117.51 114.67 2axl h ILE 35 Ca -0.00 -0.67 0.05 0.00 1.08 0.00 0.00 64.86 65.32 2axl h ILE 35 Cb 1.02 0.94 -0.05 0.00 -1.09 0.00 0.00 36.82 37.65 2axl h ILE 35 CO 0.08 0.23 0.27 -0.07 -1.08 0.00 0.00 178.15 177.59 2axl h LEU 36 N 0.46 0.39 -0.44 2.19 3.38 -1.53 -2.95 115.31 116.80 2axl h LEU 36 Ca 0.12 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 2axl h LEU 36 Cb 0.24 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2axl h LEU 36 CO -0.01 0.27 -0.78 0.15 0.09 0.00 0.00 178.44 178.16 2axl h PHE 37 N 0.52 0.11 -0.89 1.13 3.04 -1.34 -3.20 116.94 116.31 2axl h PHE 37 Ca 0.23 -0.06 -0.01 0.00 3.98 0.00 0.00 57.97 62.11 2axl h PHE 37 Cb 0.14 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.60 2axl h PHE 37 CO -0.10 0.82 0.50 -0.07 -2.02 0.00 0.00 178.31 177.44 2axl h LEU 38 N 0.05 1.10 0.00 0.59 3.38 -1.07 -2.36 115.31 117.00 2axl h LEU 38 Ca -0.02 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2axl h LEU 38 Cb 1.37 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2axl h LEU 38 CO 0.11 0.88 0.00 0.54 0.09 0.00 0.00 178.44 180.06 2axl n ARG 39 N -4.35 0.24 -2.80 1.13 1.74 -1.22 -1.25 116.66 110.14 2axl n ARG 39 Ca 0.09 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.08 2axl n ARG 39 Cb 0.09 -1.40 0.04 0.00 -1.02 0.00 0.00 32.46 30.18 2axl n ARG 39 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2axl n GLY 40 N -0.47 0.10 3.70 -0.13 0.00 -0.89 -4.25 105.19 103.25 2axl n GLY 40 Ca 0.05 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 2axl n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2axl s SER 41 N -3.51 3.34 -0.59 1.61 1.04 -1.21 -4.83 113.70 109.55 2axl s SER 41 Ca 0.09 1.97 -0.28 0.00 0.48 0.00 0.00 55.95 58.20 2axl s SER 41 Cb -0.04 -2.50 0.02 0.00 0.10 0.00 0.00 66.02 63.60 2axl s SER 41 CO 0.36 -2.80 1.29 0.21 0.98 0.00 0.00 173.24 173.28 2axl s ASN 42 N -2.96 6.30 -0.32 7.02 3.84 -1.26 -4.88 114.94 122.68 2axl s ASN 42 Ca 0.65 0.13 0.02 0.00 0.21 0.00 0.00 52.86 53.87 2axl s ASN 42 Cb -0.21 -2.55 0.19 0.00 -0.55 0.00 0.00 41.25 38.13 2axl s ASN 42 CO 0.58 -1.60 0.72 -0.55 -2.79 0.00 0.00 177.10 173.46 2axl s SER 43 N 3.59 -1.29 0.27 -4.21 0.15 -1.26 -5.04 113.70 105.91 2axl s SER 43 Ca 0.46 -0.08 0.02 0.00 0.70 0.00 0.00 55.95 57.05 2axl s SER 43 Cb -0.09 1.75 0.37 0.00 -1.71 0.00 0.00 66.02 66.35 2axl s SER 43 CO 0.24 -0.21 1.69 -0.61 1.20 0.00 0.00 173.24 175.55 2axl h GLN 44 N 7.43 0.47 -0.58 5.44 5.75 -1.99 -2.80 115.11 128.84 2axl h GLN 44 Ca -0.01 -0.20 0.01 0.00 -0.15 0.00 0.00 58.65 58.30 2axl h GLN 44 Cb 1.19 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.69 2axl h GLN 44 CO 0.08 0.73 0.38 -0.09 -2.65 0.00 0.00 178.83 177.28 2axl h ARG 45 N 0.41 0.76 -0.00 1.69 2.43 -2.00 -1.40 114.38 116.26 2axl h ARG 45 Ca 0.05 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2axl h ARG 45 Cb 0.74 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2axl h ARG 45 CO 0.06 0.50 -0.10 1.28 -1.51 0.00 0.00 179.97 180.20 2axl n LEU 46 N -4.68 0.34 -0.01 3.80 4.77 -1.22 -3.24 117.00 116.76 2axl n LEU 46 Ca 0.04 0.10 -0.01 0.00 -0.03 0.00 0.00 56.01 56.11 2axl n LEU 46 Cb 0.02 -0.23 -0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2axl n LEU 46 CO 0.35 0.06 -0.05 0.00 -1.33 0.00 0.00 177.39 176.43 2axl h ALA 47 N 3.50 0.00 -1.03 -1.18 0.00 -1.01 -2.52 119.26 117.02 2axl h ALA 47 Ca 0.00 -0.26 0.26 0.00 0.00 0.00 0.00 54.91 54.91 2axl h ALA 47 Cb 0.36 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.11 2axl h ALA 47 CO 0.00 0.07 0.63 -0.44 0.00 0.00 0.00 179.25 179.52 2axl h ASP 48 N -0.16 0.56 0.43 0.00 3.32 -1.50 0.90 116.42 119.97 2axl h ASP 48 Ca 0.00 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 2axl h ASP 48 Cb 0.07 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2axl h ASP 48 CO 0.00 0.09 -0.21 1.56 -1.72 0.00 0.00 179.24 178.96 2axl h GLN 49 N 0.49 -0.56 -1.29 3.56 4.20 -1.72 -3.16 115.11 116.64 2axl h GLN 49 Ca 0.63 0.04 -0.31 0.00 0.06 0.00 0.00 58.65 59.07 2axl h GLN 49 Cb 1.38 0.13 -0.15 0.00 0.30 0.00 0.00 27.48 29.14 2axl h GLN 49 CO -0.40 -0.37 0.39 0.66 -0.67 0.00 0.00 178.83 178.45 2axl n TYR 50 N -3.98 1.59 -0.26 2.96 4.01 -0.72 -4.58 117.16 116.17 2axl n TYR 50 Ca -0.07 -1.66 -0.00 0.00 -0.16 0.00 0.00 57.90 56.00 2axl n TYR 50 Cb 0.23 -0.82 0.12 0.00 -0.31 0.00 0.00 39.34 38.56 2axl n TYR 50 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 2axl h ARG 51 N 1.08 0.78 -0.55 -0.72 0.11 0.84 -2.32 114.38 113.59 2axl h ARG 51 Ca 0.31 -0.05 -0.06 0.00 0.10 0.00 0.00 59.98 60.29 2axl h ARG 51 Cb 1.35 -0.18 -0.02 0.00 1.11 0.00 0.00 29.97 32.23 2axl h ARG 51 CO 0.70 0.52 0.10 0.00 0.10 0.00 0.00 179.97 181.38 2axl h ARG 52 N 0.80 0.86 -5.40 0.08 2.47 -1.85 -3.42 114.38 107.93 2axl h ARG 52 Ca 0.33 -0.19 -0.56 0.00 -1.26 0.00 0.00 59.98 58.30 2axl h ARG 52 Cb 0.19 -0.12 -0.06 0.00 -1.65 0.00 0.00 29.97 28.33 2axl h ARG 52 CO -0.18 0.79 1.62 1.58 0.56 0.00 0.00 179.97 184.35 2axl n HIS 53 N -4.25 0.94 0.06 3.04 -0.00 -0.87 -4.79 115.22 109.34 2axl n HIS 53 Ca 0.04 0.39 -0.02 0.00 0.46 0.00 0.00 57.72 58.58 2axl n HIS 53 Cb 0.25 -2.43 0.23 0.00 -0.12 0.00 0.00 29.99 27.92 2axl n HIS 53 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2axl h SER 54 N 12.81 0.36 0.00 0.26 0.87 -1.87 -3.07 113.55 122.91 2axl h SER 54 Ca -0.12 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2axl h SER 54 Cb 1.32 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2axl h SER 54 CO 1.25 0.66 0.27 0.18 -0.53 0.00 0.00 176.83 178.67 2axl n LEU 55 N -4.09 0.00 -4.69 2.23 4.77 -1.26 -4.61 117.00 109.35 2axl n LEU 55 Ca -0.01 0.14 -0.44 0.00 -0.03 0.00 0.00 56.01 55.67 2axl n LEU 55 Cb 0.42 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.34 2axl n LEU 55 CO 0.42 -0.14 1.32 0.33 -1.33 0.00 0.00 177.39 177.99 2axl n PHE 56 N -1.09 2.52 -1.46 -1.77 -0.00 -1.17 -2.83 117.46 111.67 2axl n PHE 56 Ca 0.00 0.10 -0.16 0.00 -0.00 0.00 0.00 57.45 57.39 2axl n PHE 56 Cb 0.27 -2.63 -0.07 0.00 -0.00 0.00 0.00 39.48 37.05 2axl n PHE 56 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2axl n GLY 57 N 3.81 1.59 0.04 7.13 0.00 -0.38 -4.81 105.19 112.57 2axl n GLY 57 Ca 0.17 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 46.03 2axl n GLY 57 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2axl n THR 58 N -2.54 0.22 1.81 2.61 -1.04 -1.07 -3.27 114.28 111.00 2axl n THR 58 Ca -0.16 -0.26 0.13 0.00 -2.04 0.00 0.00 64.05 61.72 2axl n THR 58 Cb 0.52 0.12 0.68 0.00 -1.82 0.00 0.00 70.33 69.83 2axl n THR 58 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2axl n GLY 59 N 1.35 -0.66 0.31 3.41 0.00 -1.09 -3.80 105.19 104.72 2axl n GLY 59 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2axl n GLY 59 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2axl h LYS 60 N 0.69 0.77 0.00 1.61 3.64 -1.66 -1.91 116.57 119.71 2axl h LYS 60 Ca 0.00 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2axl h LYS 60 Cb 0.15 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2axl h LYS 60 CO 0.00 0.61 0.00 -0.40 -2.27 0.00 0.00 179.45 177.39 2axl n ASP 61 N -4.36 0.00 -4.66 4.20 5.75 -1.25 -4.74 116.55 111.48 2axl n ASP 61 Ca 0.05 0.37 -0.35 0.00 -0.01 0.00 0.00 54.79 54.85 2axl n ASP 61 Cb 0.13 -0.45 -0.10 0.00 -1.03 0.00 0.00 41.12 39.68 2axl n ASP 61 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2axl s GLN 62 N -2.89 3.43 1.01 0.11 -0.21 -0.72 -5.10 119.66 115.30 2axl s GLN 62 Ca 0.12 -0.37 -0.12 0.00 0.02 0.00 0.00 55.36 55.01 2axl s GLN 62 Cb 0.14 -2.98 0.20 0.00 1.00 0.00 0.00 33.01 31.36 2axl s GLN 62 CO 0.36 0.52 1.09 0.95 -2.12 0.00 0.00 175.29 176.09 2axl s THR 63 N -0.34 2.04 0.13 -0.19 -4.23 -1.26 -4.90 115.64 106.88 2axl s THR 63 Ca 0.08 0.01 -0.19 0.00 -1.18 0.00 0.00 61.69 60.41 2axl s THR 63 Cb -0.12 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 71.19 2axl s THR 63 CO 0.02 -0.02 1.74 -0.08 -0.54 0.00 0.00 174.62 175.74 2axl h GLU 64 N -1.95 0.12 0.00 3.99 4.57 -1.98 -2.93 114.58 116.40 2axl h GLU 64 Ca -0.55 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 57.54 2axl h GLU 64 Cb 1.33 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.88 2axl h GLU 64 CO 0.57 0.08 -0.41 0.66 -1.18 0.00 0.00 179.01 178.73 2axl h SER 65 N 0.12 0.00 -0.91 1.04 4.64 -1.97 0.62 113.55 117.10 2axl h SER 65 Ca 0.09 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.40 2axl h SER 65 Cb 0.09 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.13 2axl h SER 65 CO -0.12 0.41 0.52 -0.25 -0.87 0.00 0.00 176.83 176.52 2axl h TRP 66 N 0.00 1.22 -0.04 4.77 2.91 -1.88 2.45 115.95 125.38 2axl h TRP 66 Ca -0.00 -0.02 -0.04 0.00 1.13 0.00 0.00 58.89 59.96 2axl h TRP 66 Cb 0.78 -0.40 0.00 0.00 -0.51 0.00 0.00 29.16 29.03 2axl h TRP 66 CO 0.00 0.83 -0.13 -1.49 -1.03 0.00 0.00 178.44 176.62 2axl h TRP 67 N 1.26 0.21 -0.13 2.65 4.06 -1.39 0.10 115.95 122.70 2axl h TRP 67 Ca 0.32 -0.08 0.05 0.00 2.06 0.00 0.00 58.89 61.24 2axl h TRP 67 Cb -0.01 -0.04 -0.06 0.00 -1.00 0.00 0.00 29.16 28.06 2axl h TRP 67 CO 0.01 0.75 -0.23 -0.22 -3.56 0.00 0.00 178.44 175.18 2axl h LYS 68 N -0.39 -0.28 -0.74 0.49 1.63 0.33 -0.13 116.57 117.48 2axl h LYS 68 Ca -0.00 0.02 0.06 0.00 -0.85 0.00 0.00 60.65 59.88 2axl h LYS 68 Cb 0.75 0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 32.38 2axl h LYS 68 CO 0.03 -0.19 0.43 0.00 -3.45 0.00 0.00 179.45 176.27 2axl h ALA 69 N 0.68 1.01 -0.56 5.00 0.00 0.42 -1.71 119.26 124.10 2axl h ALA 69 Ca 0.10 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2axl h ALA 69 Cb 0.44 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2axl h ALA 69 CO -0.30 0.12 0.37 0.35 0.00 0.00 0.00 179.25 179.79 2axl h PHE 70 N 0.78 0.70 -0.90 0.00 3.57 0.95 -1.91 116.94 120.13 2axl h PHE 70 Ca 0.33 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.86 2axl h PHE 70 Cb 0.20 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.65 2axl h PHE 70 CO -0.06 0.44 0.59 0.77 -2.23 0.00 0.00 178.31 177.82 2axl h SER 71 N 0.75 1.02 -0.72 0.41 0.02 -0.51 -2.38 113.55 112.14 2axl h SER 71 Ca 0.20 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2axl h SER 71 Cb -0.09 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.17 2axl h SER 71 CO -0.04 0.73 0.45 -0.09 -1.14 0.00 0.00 176.83 176.73 2axl h ARG 72 N 1.20 0.97 -0.53 3.45 2.43 -0.64 -2.79 114.38 118.48 2axl h ARG 72 Ca 0.34 -0.08 0.07 0.00 -0.81 0.00 0.00 59.98 59.49 2axl h ARG 72 Cb -0.11 -0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 29.18 2axl h ARG 72 CO -0.08 0.68 0.21 1.96 -1.51 0.00 0.00 179.97 181.23 2axl h GLN 73 N 0.98 0.40 -0.24 0.20 4.20 -0.83 -2.50 115.11 117.32 2axl h GLN 73 Ca 0.26 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.90 2axl h GLN 73 Cb -0.05 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 2axl h GLN 73 CO -0.05 0.26 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.24 2axl h LEU 74 N 0.41 0.35 -0.38 1.46 3.38 -1.37 -3.16 115.31 116.00 2axl h LEU 74 Ca 0.25 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 2axl h LEU 74 Cb 0.25 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2axl h LEU 74 CO -0.23 0.46 0.19 0.40 0.09 0.00 0.00 178.44 179.35 2axl h ILE 75 N 0.35 1.16 -0.43 1.22 2.04 -1.30 -2.25 117.51 118.31 2axl h ILE 75 Ca 0.08 -0.45 -0.09 0.00 1.00 0.00 0.00 64.86 65.40 2axl h ILE 75 Cb 0.34 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2axl h ILE 75 CO 0.02 0.17 -0.07 0.74 0.00 0.00 0.00 178.15 179.00 2axl h THR 76 N 0.47 1.27 0.00 -0.27 2.02 -1.55 -3.01 112.91 111.84 2axl h THR 76 Ca 0.13 -1.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 2axl h THR 76 Cb 0.10 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 2axl h THR 76 CO -0.02 0.39 -0.08 -0.33 0.37 0.00 0.00 175.52 175.86 2axl h GLU 77 N 0.63 0.00 0.00 6.66 5.08 -1.52 -3.45 114.58 121.98 2axl h GLU 77 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2axl h GLU 77 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2axl h GLU 77 CO 0.04 0.08 0.00 0.41 -1.00 0.00 0.00 179.01 178.53 2axl n GLY 78 N -0.96 1.35 0.31 -3.84 0.00 -1.13 -4.92 105.19 96.00 2axl n GLY 78 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.09 2axl n GLY 78 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2axl h PHE 79 N 0.00 0.23 -3.96 1.61 -1.00 -1.78 -3.43 116.94 108.61 2axl h PHE 79 Ca 0.00 0.01 -0.32 0.00 2.81 0.00 0.00 57.97 60.46 2axl h PHE 79 Cb 0.00 -0.08 -0.24 0.00 3.61 0.00 0.00 35.95 39.24 2axl h PHE 79 CO 0.00 0.13 -0.75 -1.17 -1.61 0.00 0.00 178.31 174.91 2axl s LEU 80 N -9.19 2.17 0.06 1.54 2.96 -0.86 -4.12 118.68 111.23 2axl s LEU 80 Ca -0.06 -0.39 0.05 0.00 -0.22 0.00 0.00 54.13 53.50 2axl s LEU 80 Cb 0.18 -0.28 -0.03 0.00 0.50 0.00 0.00 46.19 46.56 2axl s LEU 80 CO 0.71 -0.08 -0.15 0.54 -1.32 0.00 0.00 176.35 176.06 2axl s VAL 81 N -0.90 1.15 -0.02 1.68 0.11 -1.20 -4.20 120.40 117.02 2axl s VAL 81 Ca -0.04 -1.18 0.07 0.00 -2.93 0.00 0.00 61.98 57.89 2axl s VAL 81 Cb -0.07 -1.07 -0.02 0.00 -1.53 0.00 0.00 36.38 33.69 2axl s VAL 81 CO 0.00 -0.11 -0.22 -1.61 -3.33 0.00 0.00 175.10 169.83 2axl s GLU 82 N -1.48 1.83 -0.16 1.54 2.02 -1.26 -1.60 118.70 119.58 2axl s GLU 82 Ca 0.00 -0.79 -0.00 0.00 0.02 0.00 0.00 54.97 54.19 2axl s GLU 82 Cb -0.09 -1.75 -0.00 0.00 0.10 0.00 0.00 34.13 32.38 2axl s GLU 82 CO 0.02 0.47 -0.13 0.08 0.02 0.00 0.00 175.26 175.71 2axl s VAL 83 N -0.49 2.81 -0.88 2.63 1.01 -0.04 -4.95 120.40 120.49 2axl s VAL 83 Ca 0.08 -0.72 0.26 0.00 0.00 0.00 0.00 61.98 61.60 2axl s VAL 83 Cb -0.09 -2.20 0.09 0.00 0.00 0.00 0.00 36.38 34.18 2axl s VAL 83 CO -0.01 0.50 1.53 -0.24 0.00 0.00 0.00 175.10 176.88 2axl n SER 84 N 4.14 0.48 -0.16 3.32 2.88 -1.26 -1.99 113.62 121.03 2axl n SER 84 Ca -0.19 0.08 0.03 0.00 -1.33 0.00 0.00 58.87 57.46 2axl n SER 84 Cb 0.52 -0.02 0.11 0.00 -0.75 0.00 0.00 64.21 64.07 2axl n SER 84 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2axl n ARG 85 N -1.73 1.20 -3.52 -1.46 1.74 -1.26 -4.49 116.66 107.14 2axl n ARG 85 Ca 0.05 -0.31 -0.15 0.00 -0.77 0.00 0.00 57.85 56.66 2axl n ARG 85 Cb 0.37 -1.11 -0.12 0.00 -1.02 0.00 0.00 32.46 30.58 2axl n ARG 85 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2axl s TYR 86 N -1.89 -0.40 -0.28 -1.55 1.51 -1.23 -4.97 117.35 108.54 2axl s TYR 86 Ca 0.10 0.53 -0.05 0.00 -1.01 0.00 0.00 57.07 56.64 2axl s TYR 86 Cb 0.05 -0.21 0.01 0.00 -0.11 0.00 0.00 41.96 41.69 2axl s TYR 86 CO 0.07 -0.55 0.32 0.09 -1.11 0.00 0.00 175.55 174.37 2axl n ASN 87 N 5.34 -4.92 0.00 2.29 3.02 -1.26 0.19 115.26 119.91 2axl n ASN 87 Ca -0.05 0.14 0.05 0.00 -0.03 0.00 0.00 54.58 54.69 2axl n ASN 87 Cb 0.50 -3.17 0.27 0.00 -0.61 0.00 0.00 39.78 36.77 2axl n ASN 87 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2axl n LYS 88 N -0.80 0.19 0.01 3.52 2.85 -1.26 0.20 118.16 122.87 2axl n LYS 88 Ca 0.04 0.14 -0.13 0.00 -1.05 0.00 0.00 58.31 57.30 2axl n LYS 88 Cb 0.34 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 33.20 2axl n LYS 88 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 2axl h PHE 89 N 0.00 0.81 0.00 5.58 -1.00 -1.95 -3.41 116.94 116.97 2axl h PHE 89 Ca 0.00 -0.35 -0.11 0.00 2.81 0.00 0.00 57.97 60.32 2axl h PHE 89 Cb 0.07 -0.13 -0.10 0.00 3.61 0.00 0.00 35.95 39.41 2axl h PHE 89 CO 0.00 1.14 -0.04 0.00 -1.61 0.00 0.00 178.31 177.80 2axl n MET 90 N -3.90 0.56 -1.50 1.51 0.00 0.74 -4.91 117.12 109.62 2axl n MET 90 Ca -0.05 -0.89 0.00 0.00 0.00 0.00 0.00 57.70 56.76 2axl n MET 90 Cb 0.71 0.06 0.00 0.00 0.00 0.00 0.00 33.22 33.99 2axl n MET 90 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2axl n LYS 91 N -0.60 -0.28 -1.51 3.17 4.01 0.54 -3.39 118.16 120.09 2axl n LYS 91 Ca -0.15 0.40 -0.56 0.00 -0.51 0.00 0.00 58.31 57.50 2axl n LYS 91 Cb 0.70 -0.39 -0.07 0.00 -0.51 0.00 0.00 35.03 34.77 2axl n LYS 91 CO 0.00 0.00 0.00 1.51 -1.11 0.00 0.00 177.40 177.80 2axl n ILE 92 N 1.16 0.32 -3.33 -0.18 0.00 0.51 -4.44 119.36 113.40 2axl n ILE 92 Ca 0.00 -0.08 -0.35 0.00 0.00 0.00 0.00 62.75 62.32 2axl n ILE 92 Cb 0.13 -0.22 -0.06 0.00 0.00 0.00 0.00 39.64 39.49 2axl n ILE 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2axl s ALA 94 N -1.51 0.25 -0.01 0.00 0.00 -0.63 -4.81 121.76 115.06 2axl s ALA 94 Ca 0.39 -0.18 -0.25 0.00 0.00 0.00 0.00 51.96 51.92 2axl s ALA 94 Cb -0.15 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 2axl s ALA 94 CO 0.19 0.04 0.77 -0.51 0.00 0.00 0.00 175.76 176.26 2axl s LEU 95 N -0.22 4.38 0.00 0.00 1.43 -1.26 -3.26 118.68 119.74 2axl s LEU 95 Ca -0.00 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 54.46 2axl s LEU 95 Cb -0.02 -3.22 0.00 0.00 0.03 0.00 0.00 46.19 42.98 2axl s LEU 95 CO -0.00 -0.08 0.00 0.35 0.23 0.00 0.00 176.35 176.84 2axl n THR 96 N 3.40 0.00 -0.12 5.49 -2.24 -1.26 -4.62 114.28 114.93 2axl n THR 96 Ca -0.01 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.69 2axl n THR 96 Cb 0.51 -1.09 -0.00 0.00 -2.10 0.00 0.00 70.33 67.64 2axl n THR 96 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2axl h LYS 97 N 0.00 0.52 -0.15 -0.78 1.79 -1.96 1.94 116.57 117.93 2axl h LYS 97 Ca 0.00 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 2axl h LYS 97 Cb 0.00 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.53 2axl h LYS 97 CO 0.00 0.40 0.04 1.57 -1.08 0.00 0.00 179.45 180.38 2axl h LYS 98 N 0.50 0.24 0.08 3.15 2.10 -1.93 -1.33 116.57 119.39 2axl h LYS 98 Ca 0.14 -0.05 -0.25 0.00 -2.00 0.00 0.00 60.65 58.48 2axl h LYS 98 Cb 0.01 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.30 2axl h LYS 98 CO -0.03 0.38 -1.14 0.78 -2.00 0.00 0.00 179.45 177.44 2axl h GLY 99 N 0.06 0.24 1.09 0.07 0.00 -1.67 -2.88 103.07 99.98 2axl h GLY 99 Ca 0.05 -0.57 -0.11 0.00 0.00 0.00 0.00 47.33 46.70 2axl h GLY 99 CO -0.00 0.50 -0.06 -0.09 0.00 0.00 0.00 176.54 176.89 2axl h ARG 100 N 0.07 1.06 -0.86 4.80 2.43 0.31 -0.55 114.38 121.63 2axl h ARG 100 Ca -0.09 -0.37 -0.02 0.00 -0.81 0.00 0.00 59.98 58.69 2axl h ARG 100 Cb 1.86 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 31.29 2axl h ARG 100 CO 0.18 1.07 0.46 -0.91 -1.51 0.00 0.00 179.97 179.26 2axl h ASN 101 N 0.96 1.08 -0.16 -3.80 2.35 -1.31 0.31 115.58 115.01 2axl h ASN 101 Ca 0.16 -0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.83 2axl h ASN 101 Cb 0.63 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 2axl h ASN 101 CO 0.04 0.87 0.01 -0.25 -1.65 0.00 0.00 177.43 176.45 2axl h TRP 102 N 1.21 0.01 -0.44 1.19 7.01 -1.09 0.83 115.95 124.67 2axl h TRP 102 Ca 0.30 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.31 2axl h TRP 102 Cb 0.04 0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.10 2axl h TRP 102 CO 0.01 -0.01 0.26 1.25 -2.79 0.00 0.00 178.44 177.16 2axl h LEU 103 N 0.06 0.54 0.00 0.65 5.85 0.27 -2.51 115.31 120.16 2axl h LEU 103 Ca 0.07 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2axl h LEU 103 Cb 0.08 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.98 2axl h LEU 103 CO -0.12 0.45 -0.52 0.45 -0.34 0.00 0.00 178.44 178.36 2axl h HIS 104 N 0.58 0.00 0.00 1.25 3.86 -0.18 -3.32 115.15 117.34 2axl h HIS 104 Ca 0.16 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 59.07 2axl h HIS 104 Cb 0.02 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.44 2axl h HIS 104 CO -0.03 0.00 -1.65 1.17 0.86 0.00 0.00 177.93 178.28 2axl n LYS 105 N -2.24 0.57 -0.03 2.45 4.81 0.29 -4.34 118.16 119.66 2axl n LYS 105 Ca 0.03 0.46 0.10 0.00 -0.87 0.00 0.00 58.31 58.03 2axl n LYS 105 Cb 0.45 -1.65 0.48 0.00 0.02 0.00 0.00 35.03 34.33 2axl n LYS 105 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2axl n ALA 106 N -3.74 2.58 -0.40 3.14 0.00 -0.96 -4.22 120.51 116.91 2axl n ALA 106 Ca -0.38 -0.26 0.36 0.00 0.00 0.00 0.00 53.44 53.17 2axl n ALA 106 Cb 0.72 -1.22 0.71 0.00 0.00 0.00 0.00 19.45 19.67 2axl n ALA 106 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 2axl h ASN 107 N 0.78 0.10 0.00 0.00 -0.73 -1.74 -3.09 115.58 110.90 2axl h ASN 107 Ca 0.00 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.20 2axl h ASN 107 Cb 0.17 0.02 0.00 0.00 0.27 0.00 0.00 38.32 38.78 2axl h ASN 107 CO 0.00 -0.01 0.00 0.35 -0.37 0.00 0.00 177.43 177.40 2axl n THR 108 N -4.27 0.00 -3.12 -3.57 -2.24 -1.26 -4.82 114.28 95.00 2axl n THR 108 Ca 0.30 0.26 -0.21 0.00 -2.27 0.00 0.00 64.05 62.13 2axl n THR 108 Cb 1.33 -1.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.40 2axl n THR 108 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2axl n GLU 109 N 0.00 0.69 -3.73 -0.78 1.02 -1.23 -5.08 120.64 111.54 2axl n GLU 109 Ca 0.00 -2.94 -0.23 0.00 -0.02 0.00 0.00 57.16 53.97 2axl n GLU 109 Cb 0.00 -1.28 -0.18 0.00 -0.02 0.00 0.00 31.44 29.96 2axl n GLU 109 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2axl s SER 110 N -1.18 1.62 -0.35 1.62 0.01 -1.17 -5.10 113.70 109.15 2axl s SER 110 Ca 0.34 -0.13 0.03 0.00 1.31 0.00 0.00 55.95 57.50 2axl s SER 110 Cb 0.17 -0.36 0.10 0.00 0.21 0.00 0.00 66.02 66.15 2axl s SER 110 CO -0.14 -0.23 0.08 0.00 0.41 0.00 0.00 173.24 173.36 2axl s GLN 111 N 2.03 1.32 -0.14 12.44 0.00 -1.26 -4.83 119.66 129.21 2axl s GLN 111 Ca 0.04 -1.73 -0.07 0.00 -0.00 0.00 0.00 55.36 53.60 2axl s GLN 111 Cb -0.13 -2.89 0.06 0.00 0.00 0.00 0.00 33.01 30.05 2axl s GLN 111 CO -0.05 -0.97 0.32 -1.12 0.00 0.00 0.00 175.29 173.47 2axl s SER 112 N 0.99 -0.24 -0.30 12.60 0.01 -1.26 -4.66 113.70 120.84 2axl s SER 112 Ca 0.11 0.70 -0.16 0.00 1.31 0.00 0.00 55.95 57.91 2axl s SER 112 Cb -0.19 0.66 0.18 0.00 0.21 0.00 0.00 66.02 66.88 2axl s SER 112 CO -0.11 -0.19 1.12 -0.22 0.41 0.00 0.00 173.24 174.25 2axl s LEU 113 N 1.64 -0.32 -0.17 2.44 2.96 -1.26 -4.93 118.68 119.03 2axl s LEU 113 Ca -0.07 0.27 -0.20 0.00 -0.22 0.00 0.00 54.13 53.92 2axl s LEU 113 Cb -0.10 1.30 -0.03 0.00 0.50 0.00 0.00 46.19 47.86 2axl s LEU 113 CO -0.10 -0.06 0.57 -0.63 -1.32 0.00 0.00 176.35 174.81 2axl s ILE 114 N 2.72 5.08 0.57 6.68 1.01 -1.26 -3.58 121.20 132.42 2axl s ILE 114 Ca -0.03 1.10 0.09 0.00 0.00 0.00 0.00 60.65 61.81 2axl s ILE 114 Cb -0.07 -3.90 0.09 0.00 0.01 0.00 0.00 42.46 38.58 2axl s ILE 114 CO -0.12 0.19 0.72 0.18 0.00 0.00 0.00 174.94 175.91 2axl n LEU 115 N 4.57 0.00 -4.72 2.97 4.77 0.18 -4.41 117.00 120.37 2axl n LEU 115 Ca -0.03 -2.53 -0.42 0.00 -0.03 0.00 0.00 56.01 52.99 2axl n LEU 115 Cb 0.50 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 2axl n LEU 115 CO 0.43 -0.69 0.92 -1.58 -1.33 0.00 0.00 177.39 175.15 2axl s GLN 116 N -4.53 4.41 0.54 3.23 0.74 -1.26 -0.38 119.66 122.42 2axl s GLN 116 Ca 0.55 1.85 -0.19 0.00 0.05 0.00 0.00 55.36 57.62 2axl s GLN 116 Cb -0.04 -3.31 -0.06 0.00 1.10 0.00 0.00 33.01 30.70 2axl s GLN 116 CO 0.35 -0.28 1.13 0.00 -0.55 0.00 0.00 175.29 175.94 2axl s ALA 117 N 0.93 2.70 1.03 1.58 0.00 1.07 -4.51 121.76 124.56 2axl s ALA 117 Ca 0.59 0.81 -0.12 0.00 0.00 0.00 0.00 51.96 53.25 2axl s ALA 117 Cb -0.32 -3.35 0.20 0.00 0.00 0.00 0.00 23.12 19.65 2axl s ALA 117 CO 0.30 -0.76 1.00 0.09 0.00 0.00 0.00 175.76 176.39 2axl n ASN 118 N -1.31 -0.76 -0.06 0.00 4.13 -1.26 -4.85 115.26 111.15 2axl n ASN 118 Ca 0.11 0.16 -0.14 0.00 1.68 0.00 0.00 54.58 56.39 2axl n ASN 118 Cb 0.51 -1.35 -0.13 0.00 -1.54 0.00 0.00 39.78 37.27 2axl n ASN 118 CO 0.00 0.00 0.00 1.05 0.28 0.00 0.00 177.26 178.59 2axl h GLU 119 N -2.21 0.02 -4.39 3.52 4.11 -1.94 -3.40 114.58 110.30 2axl h GLU 119 Ca -0.51 -0.03 -0.74 0.00 0.07 0.00 0.00 59.36 58.14 2axl h GLU 119 Cb 1.30 0.01 -0.22 0.00 0.50 0.00 0.00 28.75 30.34 2axl h GLU 119 CO 0.44 0.94 0.52 -1.21 0.07 0.00 0.00 179.01 179.77 2axl s GLU 120 N -2.54 3.68 -0.17 1.06 2.02 -1.26 -4.80 118.70 116.68 2axl s GLU 120 Ca -0.18 -2.22 0.16 0.00 0.02 0.00 0.00 54.97 52.75 2axl s GLU 120 Cb -0.02 -4.69 0.53 0.00 0.10 0.00 0.00 34.13 30.05 2axl s GLU 120 CO 0.70 -1.53 1.43 1.28 0.02 0.00 0.00 175.26 177.16 2axl n LEU 121 N 5.10 3.91 -2.86 1.80 4.77 -1.26 -4.70 117.00 123.75 2axl n LEU 121 Ca 0.20 -2.96 -0.12 0.00 -0.03 0.00 0.00 56.01 53.11 2axl n LEU 121 Cb 0.47 -0.53 0.04 0.00 -2.33 0.00 0.00 43.42 41.07 2axl n LEU 121 CO 0.43 0.68 0.14 0.00 -1.33 0.00 0.00 177.39 177.31 2axl n PRO 123 N 0.86 0.00 -0.06 0.00 -0.02 -1.26 -2.33 135.00 132.19 2axl n PRO 123 Ca 0.12 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.72 2axl n PRO 123 Cb 0.65 -1.00 0.29 0.00 -0.02 0.00 0.00 33.50 33.42 2axl n PRO 123 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2axl n LYS 124 N -0.41 2.08 -0.19 -0.52 5.02 -1.26 -4.46 118.16 118.43 2axl n LYS 124 Ca 0.00 -1.60 0.00 0.00 -2.02 0.00 0.00 58.31 54.69 2axl n LYS 124 Cb 0.00 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.55 2axl n LYS 124 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2axl n LYS 125 N 0.88 0.49 -3.19 1.97 4.81 -0.98 -4.80 118.16 117.34 2axl n LYS 125 Ca 0.17 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.22 2axl n LYS 125 Cb 0.49 -1.25 -0.05 0.00 0.02 0.00 0.00 35.03 34.23 2axl n LYS 125 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2axl s LEU 126 N 0.00 4.30 -0.19 3.14 2.96 -1.26 -5.05 118.68 122.58 2axl s LEU 126 Ca 0.00 1.00 -0.14 0.00 -0.22 0.00 0.00 54.13 54.78 2axl s LEU 126 Cb 0.00 -2.88 -0.05 0.00 0.50 0.00 0.00 46.19 43.76 2axl s LEU 126 CO 0.00 -0.04 0.29 -1.48 -1.32 0.00 0.00 176.35 173.79 2axl s LEU 127 N 0.65 4.19 -0.41 -0.68 2.34 -1.26 -5.02 118.68 118.50 2axl s LEU 127 Ca 0.31 0.42 0.07 0.00 0.06 0.00 0.00 54.13 54.99 2axl s LEU 127 Cb -0.16 -2.35 0.22 0.00 -0.56 0.00 0.00 46.19 43.34 2axl s LEU 127 CO 0.14 0.05 0.49 -0.11 -1.06 0.00 0.00 176.35 175.86 2axl n LEU 128 N 3.96 -0.33 -4.76 1.48 7.94 -1.26 -5.12 117.00 118.91 2axl n LEU 128 Ca -0.12 -4.45 -0.41 0.00 -1.11 0.00 0.00 56.01 49.92 2axl n LEU 128 Cb 0.52 0.63 0.00 0.00 0.53 0.00 0.00 43.42 45.09 2axl n LEU 128 CO 0.39 1.99 1.10 -2.65 -1.11 0.00 0.00 177.39 177.11 2axl n PRO 129 N 1.94 2.54 -3.07 1.96 -0.02 -1.26 -4.97 135.00 132.12 2axl n PRO 129 Ca 0.23 0.89 -0.40 0.00 -2.02 0.00 0.00 63.50 62.21 2axl n PRO 129 Cb 0.52 -2.62 -0.05 0.00 -0.02 0.00 0.00 33.50 31.33 2axl n PRO 129 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2axl s SER 130 N -0.21 7.02 -0.31 2.55 1.04 -1.26 -5.03 113.70 117.50 2axl s SER 130 Ca 0.55 1.23 -0.18 0.00 0.48 0.00 0.00 55.95 58.03 2axl s SER 130 Cb -0.48 -2.41 -0.01 0.00 0.10 0.00 0.00 66.02 63.21 2axl s SER 130 CO 0.63 -0.04 0.50 -0.44 0.98 0.00 0.00 173.24 174.86 2axl s SER 131 N 0.43 6.35 -0.04 7.02 0.01 -1.26 -5.05 113.70 121.16 2axl s SER 131 Ca 0.36 0.19 -0.15 0.00 1.31 0.00 0.00 55.95 57.66 2axl s SER 131 Cb -0.18 -2.27 -0.05 0.00 0.21 0.00 0.00 66.02 63.73 2axl s SER 131 CO 0.19 -0.39 0.40 -0.54 0.41 0.00 0.00 173.24 173.31 2axl s LYS 132 N 2.34 4.00 0.12 12.44 1.02 -1.26 -5.07 119.74 133.33 2axl s LYS 132 Ca 0.19 0.36 -0.27 0.00 0.02 0.00 0.00 55.97 56.28 2axl s LYS 132 Cb -0.15 -3.28 -0.07 0.00 -0.52 0.00 0.00 37.83 33.81 2axl s LYS 132 CO 0.12 0.56 0.83 0.99 -0.92 0.00 0.00 175.35 176.93 2axl s THR 133 N -0.64 4.49 -0.11 2.17 2.01 -1.26 -5.00 115.64 117.30 2axl s THR 133 Ca 0.23 1.81 -0.30 0.00 0.31 0.00 0.00 61.69 63.74 2axl s THR 133 Cb -0.16 -4.20 -0.03 0.00 0.01 0.00 0.00 72.50 68.13 2axl s THR 133 CO 0.11 0.42 1.34 0.54 -0.69 0.00 0.00 174.62 176.34 2axl s VAL 134 N -0.50 4.08 0.20 3.82 0.11 -1.26 -4.91 120.40 121.94 2axl s VAL 134 Ca 0.40 1.34 -0.09 0.00 -2.93 0.00 0.00 61.98 60.70 2axl s VAL 134 Cb -0.23 -3.86 0.13 0.00 -1.53 0.00 0.00 36.38 30.89 2axl s VAL 134 CO 0.27 -0.09 1.77 0.28 -3.33 0.00 0.00 175.10 173.99 2axl h SER 135 N 8.30 1.00 -2.87 3.54 0.02 -2.07 -3.44 113.55 118.03 2axl h SER 135 Ca -0.31 -0.17 -0.39 0.00 -0.84 0.00 0.00 61.79 60.08 2axl h SER 135 Cb 1.13 -0.26 0.21 0.00 0.14 0.00 0.00 62.40 63.63 2axl h SER 135 CO 0.95 0.89 -0.20 -0.24 -1.14 0.00 0.00 176.83 177.08 2axl n SER 136 N -4.36 -3.09 0.00 3.07 2.88 -1.26 -4.03 113.62 106.83 2axl n SER 136 Ca 0.06 -0.53 0.00 0.00 -1.33 0.00 0.00 58.87 57.07 2axl n SER 136 Cb 0.17 -1.07 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 2axl n SER 136 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2axl n GLY 137 N 1.64 0.47 3.90 0.46 0.00 -1.26 -5.05 105.19 105.35 2axl n GLY 137 Ca 0.07 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 2axl n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2axl s THR 138 N -2.00 3.53 -0.30 2.61 -4.23 -1.26 -5.07 115.64 108.92 2axl s THR 138 Ca 0.00 0.27 -0.10 0.00 -1.18 0.00 0.00 61.69 60.68 2axl s THR 138 Cb 0.00 -3.46 0.18 0.00 1.34 0.00 0.00 72.50 70.56 2axl s THR 138 CO 0.00 -0.55 0.94 -1.59 -0.54 0.00 0.00 174.62 172.88 2axl s LYS 139 N -5.21 0.28 0.00 3.99 -2.85 -1.26 -5.01 119.74 109.69 2axl s LYS 139 Ca 0.56 0.49 0.28 0.00 -1.00 0.00 0.00 55.97 56.30 2axl s LYS 139 Cb -0.11 0.27 1.50 0.00 -2.06 0.00 0.00 37.83 37.43 2axl s LYS 139 CO 0.49 -0.32 1.97 -1.91 0.10 0.00 0.00 175.35 175.69 2axl n GLU 140 N 5.45 0.58 -0.19 1.78 2.13 -1.26 -3.76 120.64 125.37 2axl n GLU 140 Ca -0.05 0.02 -0.05 0.00 0.66 0.00 0.00 57.16 57.74 2axl n GLU 140 Cb 0.53 -1.50 0.05 0.00 0.27 0.00 0.00 31.44 30.79 2axl n GLU 140 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2axl h HIS 141 N 0.00 0.62 -0.48 4.31 2.76 -1.98 -2.47 115.15 117.90 2axl h HIS 141 Ca 0.00 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.14 2axl h HIS 141 Cb 0.16 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 28.90 2axl h HIS 141 CO 0.00 0.34 0.12 0.00 -1.30 0.00 0.00 177.93 177.09 2axl s TYR 143 N -5.30 3.58 -2.00 0.00 6.14 -0.93 -5.24 117.35 113.60 2axl s TYR 143 Ca -0.13 1.43 0.23 0.00 0.64 0.00 0.00 57.07 59.23 2axl s TYR 143 Cb 0.11 -2.97 1.35 0.00 0.42 0.00 0.00 41.96 40.87 2axl s TYR 143 CO 0.79 -0.02 1.72 0.27 0.64 0.00 0.00 175.55 178.95