#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 0.00 -0.24 7.83 8.00 -1.26 -3.64 116.55 127.24 2axl n ASP 2 Ca 0.00 -0.38 -0.06 0.00 0.71 0.00 0.00 54.79 55.06 2axl n ASP 2 Cb 0.00 -0.20 0.05 0.00 -0.02 0.00 0.00 41.12 40.94 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 0.00 0.79 -3.11 -2.24 3.32 -2.00 -3.39 116.42 109.78 2axl h ASP 3 Ca 0.00 -0.06 -0.57 0.00 0.02 0.00 0.00 57.03 56.43 2axl h ASP 3 Cb 0.20 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 2axl h ASP 3 CO 0.00 0.61 0.94 -0.55 -1.72 0.00 0.00 179.24 178.53 2axl s SER 4 N -5.88 6.75 -0.65 6.45 0.15 -1.24 -4.89 113.70 114.38 2axl s SER 4 Ca -0.13 1.29 -0.27 0.00 0.70 0.00 0.00 55.95 57.54 2axl s SER 4 Cb 0.14 -2.54 -0.01 0.00 -1.71 0.00 0.00 66.02 61.90 2axl s SER 4 CO 0.77 -1.00 1.73 -1.61 1.20 0.00 0.00 173.24 174.34 2axl s GLU 5 N 3.98 2.76 0.00 5.44 2.02 -1.26 -4.92 118.70 126.72 2axl s GLU 5 Ca 0.55 0.37 0.00 0.00 0.02 0.00 0.00 54.97 55.91 2axl s GLU 5 Cb -0.17 -4.37 0.00 0.00 0.10 0.00 0.00 34.13 29.68 2axl s GLU 5 CO 0.21 -2.62 0.00 -3.47 0.02 0.00 0.00 175.26 169.39 2axl n ASP 6 N 12.02 0.61 -3.68 -0.19 -0.08 -1.26 -4.44 116.55 119.54 2axl n ASP 6 Ca 0.17 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 53.12 2axl n ASP 6 Cb 0.51 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.99 2axl n ASP 6 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2axl n THR 7 N 0.00 0.00 -3.64 5.18 5.66 -1.26 0.67 114.28 120.90 2axl n THR 7 Ca 0.00 -0.44 -0.10 0.00 -3.05 0.00 0.00 64.05 60.46 2axl n THR 7 Cb 0.00 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 2axl n THR 7 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2axl s SER 8 N -0.87 -0.56 -0.30 1.09 0.01 -1.25 -3.56 113.70 108.26 2axl s SER 8 Ca 0.47 1.07 -0.18 0.00 1.31 0.00 0.00 55.95 58.62 2axl s SER 8 Cb -0.39 1.09 0.21 0.00 0.21 0.00 0.00 66.02 67.15 2axl s SER 8 CO 0.60 -0.18 1.30 -1.66 0.41 0.00 0.00 173.24 173.71 2axl s TRP 9 N 0.34 -0.06 -0.27 2.43 1.48 -1.20 -4.75 118.94 116.92 2axl s TRP 9 Ca 0.01 0.12 -0.13 0.00 -1.06 0.00 0.00 56.10 55.04 2axl s TRP 9 Cb -0.05 0.12 -0.04 0.00 -1.16 0.00 0.00 33.47 32.34 2axl s TRP 9 CO -0.04 -0.03 0.30 0.34 -4.06 0.00 0.00 176.95 173.46 2axl s ASP 10 N 0.84 6.17 -0.44 -2.66 -1.08 -1.26 0.04 116.67 118.28 2axl s ASP 10 Ca -0.05 0.18 0.08 0.00 -0.52 0.00 0.00 52.55 52.24 2axl s ASP 10 Cb -0.03 -2.18 0.28 0.00 -1.46 0.00 0.00 42.92 39.54 2axl s ASP 10 CO -0.11 -0.13 0.64 0.33 0.52 0.00 0.00 175.17 176.43 2axl n PHE 11 N 5.20 0.75 -0.13 -5.34 -0.00 -1.21 -4.92 117.46 111.81 2axl n PHE 11 Ca -0.11 -3.75 -0.04 0.00 -0.00 0.00 0.00 57.45 53.55 2axl n PHE 11 Cb 0.51 -0.41 0.02 0.00 -0.00 0.00 0.00 39.48 39.60 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 3.70 0.30 -0.85 7.13 0.00 -1.88 -2.03 103.07 109.45 2axl h GLY 12 Ca 0.10 0.15 0.20 0.00 0.00 0.00 0.00 47.33 47.78 2axl h GLY 12 CO 0.56 -0.17 -0.09 -1.05 0.00 0.00 0.00 176.54 175.79 2axl n PRO 13 N -5.33 -0.07 -0.22 4.80 -0.02 -1.26 0.22 135.00 133.12 2axl n PRO 13 Ca 0.03 1.30 -0.05 0.00 -2.02 0.00 0.00 63.50 62.76 2axl n PRO 13 Cb 0.23 -2.00 0.12 0.00 -0.02 0.00 0.00 33.50 31.83 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 1.04 -0.32 -0.52 4.20 -1.79 0.99 115.11 118.72 2axl h GLN 14 Ca 0.47 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.90 2axl h GLN 14 Cb 0.86 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 2axl h GLN 14 CO -0.83 0.88 -0.11 0.00 -0.67 0.00 0.00 178.83 178.10 2axl h ALA 15 N 1.24 1.23 -0.49 3.87 0.00 0.27 0.29 119.26 125.66 2axl h ALA 15 Ca 0.22 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2axl h ALA 15 Cb 0.26 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2axl h ALA 15 CO -0.01 0.50 0.23 0.74 0.00 0.00 0.00 179.25 180.71 2axl h PHE 16 N 0.50 0.72 -0.33 0.00 0.04 -0.22 1.56 116.94 119.21 2axl h PHE 16 Ca 0.09 -0.04 0.03 0.00 2.80 0.00 0.00 57.97 60.86 2axl h PHE 16 Cb 0.49 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.38 2axl h PHE 16 CO 0.02 0.57 0.13 0.87 -0.60 0.00 0.00 178.31 179.30 2axl h LYS 17 N 0.65 0.27 0.16 1.51 1.57 0.69 2.29 116.57 123.71 2axl h LYS 17 Ca 0.17 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2axl h LYS 17 Cb 0.13 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2axl h LYS 17 CO -0.02 0.18 -0.08 1.25 -0.57 0.00 0.00 179.45 180.21 2axl h LEU 18 N 0.28 -0.18 -0.28 2.94 7.12 -0.28 -2.74 115.31 122.16 2axl h LEU 18 Ca 0.14 -0.26 0.05 0.00 0.13 0.00 0.00 57.88 57.94 2axl h LEU 18 Cb 0.10 0.05 -0.05 0.00 -0.53 0.00 0.00 40.66 40.23 2axl h LEU 18 CO -0.13 0.39 -0.02 -0.07 -0.13 0.00 0.00 178.44 178.48 2axl h LEU 19 N -0.97 -0.15 -1.46 2.25 3.38 0.24 -1.72 115.31 116.87 2axl h LEU 19 Ca -0.02 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2axl h LEU 19 Cb 0.43 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2axl h LEU 19 CO 0.04 -0.04 -0.24 -1.28 0.09 0.00 0.00 178.44 177.00 2axl h SER 20 N 0.06 0.00 -0.17 -0.43 0.87 0.38 -2.88 113.55 111.37 2axl h SER 20 Ca 0.13 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.62 2axl h SER 20 Cb 0.18 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2axl h SER 20 CO -0.24 0.24 -0.18 0.00 -0.53 0.00 0.00 176.83 176.12 2axl h ALA 21 N 1.76 0.25 -0.24 6.23 0.00 -1.00 -1.91 119.26 124.35 2axl h ALA 21 Ca -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2axl h ALA 21 Cb 0.57 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2axl h ALA 21 CO 0.03 0.16 0.05 -0.39 0.00 0.00 0.00 179.25 179.11 2axl h VAL 22 N 0.06 1.12 0.44 0.00 -1.51 -1.41 -0.25 116.25 114.71 2axl h VAL 22 Ca 0.02 -0.42 -0.02 0.00 -1.23 0.00 0.00 66.70 65.05 2axl h VAL 22 Cb 0.72 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 30.77 2axl h VAL 22 CO 0.04 0.15 -0.21 -0.78 -1.23 0.00 0.00 177.57 175.54 2axl h ASP 23 N 0.33 -0.50 -0.56 4.19 3.58 -1.29 1.19 116.42 123.35 2axl h ASP 23 Ca 0.08 -0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.46 2axl h ASP 23 Cb 0.14 0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.29 2axl h ASP 23 CO -0.00 -0.27 0.26 0.40 -2.88 0.00 0.00 179.24 176.75 2axl h ILE 24 N -0.72 1.21 0.00 2.25 1.08 -0.92 0.46 117.51 120.87 2axl h ILE 24 Ca -0.06 -0.61 0.00 0.00 -0.39 0.00 0.00 64.86 63.80 2axl h ILE 24 Cb 0.52 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 34.84 2axl h ILE 24 CO 0.10 0.24 0.00 0.18 -0.69 0.00 0.00 178.15 177.98 2axl n LEU 25 N -4.54 0.00 -4.07 1.44 4.77 -0.14 -4.82 117.00 109.63 2axl n LEU 25 Ca 0.03 0.01 -0.28 0.00 -0.03 0.00 0.00 56.01 55.74 2axl n LEU 25 Cb 0.13 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 2axl n LEU 25 CO 0.38 -0.01 -0.24 0.61 -1.33 0.00 0.00 177.39 176.80 2axl n GLY 26 N -0.03 -0.24 2.62 -0.72 0.00 0.26 -0.93 105.19 106.15 2axl n GLY 26 Ca 0.11 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -4.43 -0.74 0.00 1.61 1.02 0.34 -4.67 120.64 113.77 2axl n GLU 27 Ca -0.24 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 2axl n GLU 27 Cb 0.65 -2.75 0.00 0.00 -0.02 0.00 0.00 31.44 29.33 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 0.05 0.53 -4.10 3.49 4.76 -0.11 -4.62 118.16 118.17 2axl n LYS 28 Ca 0.00 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.30 2axl n LYS 28 Cb 0.07 -1.02 -0.13 0.00 -1.84 0.00 0.00 35.03 32.11 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 -1.92 0.58 0.00 2.13 0.40 -1.26 -5.09 117.98 112.82 2axl s PHE 29 Ca 0.00 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 55.99 2axl s PHE 29 Cb 0.00 -0.36 0.00 0.00 0.51 0.00 0.00 43.02 43.17 2axl s PHE 29 CO 0.00 -0.06 0.00 0.41 0.70 0.00 0.00 175.22 176.27 2axl n GLY 30 N 2.05 0.36 0.21 4.36 0.00 -1.26 -3.82 105.19 107.10 2axl n GLY 30 Ca -0.19 -1.85 0.06 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.30 0.99 -0.15 -0.61 2.10 -1.72 -3.36 117.51 114.47 2axl h ILE 31 Ca 0.00 -0.98 0.02 0.00 1.08 0.00 0.00 64.86 64.97 2axl h ILE 31 Cb 0.00 1.56 -0.03 0.00 -1.09 0.00 0.00 36.82 37.26 2axl h ILE 31 CO 0.00 0.26 -0.19 1.23 -1.08 0.00 0.00 178.15 178.38 2axl h GLY 32 N 1.07 -1.68 0.78 8.18 0.00 -1.88 -2.94 103.07 106.60 2axl h GLY 32 Ca -0.00 0.82 -0.00 0.00 0.00 0.00 0.00 47.33 48.15 2axl h GLY 32 CO 0.03 -0.55 -0.01 -2.00 0.00 0.00 0.00 176.54 174.02 2axl h LEU 33 N -0.12 -0.02 -0.95 3.11 5.85 -1.97 -3.24 115.31 117.97 2axl h LEU 33 Ca 0.03 -0.21 0.16 0.00 0.84 0.00 0.00 57.88 58.69 2axl h LEU 33 Cb 0.19 0.01 -0.16 0.00 0.37 0.00 0.00 40.66 41.07 2axl h LEU 33 CO -0.21 0.20 -0.34 -2.65 -0.34 0.00 0.00 178.44 175.10 2axl n PRO 34 N -5.00 -0.19 -0.14 5.25 -0.02 -1.17 0.14 135.00 133.87 2axl n PRO 34 Ca -0.08 1.47 -0.08 0.00 -2.02 0.00 0.00 63.50 62.79 2axl n PRO 34 Cb 0.13 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2axl n PRO 34 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2axl h ILE 35 N 0.00 1.15 -0.53 4.25 2.10 -1.58 0.66 117.51 123.56 2axl h ILE 35 Ca 0.36 -0.36 -0.00 0.00 1.08 0.00 0.00 64.86 65.93 2axl h ILE 35 Cb 0.59 0.60 -0.03 0.00 -1.09 0.00 0.00 36.82 36.90 2axl h ILE 35 CO -0.95 0.15 0.31 -0.07 -1.08 0.00 0.00 178.15 176.51 2axl h LEU 36 N 0.57 0.64 0.07 2.19 3.38 -0.34 -3.20 115.31 118.62 2axl h LEU 36 Ca 0.15 -0.07 -0.27 0.00 0.09 0.00 0.00 57.88 57.79 2axl h LEU 36 Cb 0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2axl h LEU 36 CO -0.03 0.52 -1.31 0.15 0.09 0.00 0.00 178.44 177.86 2axl h PHE 37 N 0.71 0.28 -0.62 1.13 3.04 0.17 -3.12 116.94 118.53 2axl h PHE 37 Ca 0.19 -0.20 -0.04 0.00 3.98 0.00 0.00 57.97 61.90 2axl h PHE 37 Cb 0.00 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.47 2axl h PHE 37 CO -0.02 1.20 0.23 -0.07 -2.02 0.00 0.00 178.31 177.62 2axl h LEU 38 N 0.04 0.84 0.00 0.59 3.38 0.32 -2.49 115.31 117.99 2axl h LEU 38 Ca -0.15 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2axl h LEU 38 Cb 1.93 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.46 2axl h LEU 38 CO 0.16 0.76 0.00 0.54 0.09 0.00 0.00 178.44 179.99 2axl n ARG 39 N -4.30 0.31 -1.72 1.13 1.74 -1.21 0.12 116.66 112.73 2axl n ARG 39 Ca 0.05 0.10 -0.00 0.00 -0.77 0.00 0.00 57.85 57.23 2axl n ARG 39 Cb 0.18 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 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 -0.01 -0.47 3.75 -0.13 0.00 -0.94 -4.40 105.19 103.00 2axl n GLY 40 Ca 0.09 -0.09 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.04 3.91 -0.58 1.61 1.04 -1.18 -4.93 113.70 111.53 2axl s SER 41 Ca 0.00 1.41 -0.27 0.00 0.48 0.00 0.00 55.95 57.57 2axl s SER 41 Cb -0.00 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 64.01 2axl s SER 41 CO 0.11 -2.35 1.58 0.21 0.98 0.00 0.00 173.24 173.76 2axl s ASN 42 N -3.63 5.83 -0.32 7.02 3.84 -1.26 -4.84 114.94 121.58 2axl s ASN 42 Ca 0.62 0.30 -0.01 0.00 0.21 0.00 0.00 52.86 53.98 2axl s ASN 42 Cb -0.16 -2.54 0.19 0.00 -0.55 0.00 0.00 41.25 38.19 2axl s ASN 42 CO 0.56 -1.95 0.79 -0.55 -2.79 0.00 0.00 177.10 173.16 2axl s SER 43 N 5.70 -1.08 0.14 -4.21 0.15 -1.26 -5.05 113.70 108.10 2axl s SER 43 Ca 0.57 -0.06 -0.11 0.00 0.70 0.00 0.00 55.95 57.06 2axl s SER 43 Cb -0.12 1.59 -0.04 0.00 -1.71 0.00 0.00 66.02 65.74 2axl s SER 43 CO 0.23 -0.18 1.47 -0.61 1.20 0.00 0.00 173.24 175.36 2axl h GLN 44 N 7.28 0.93 -0.64 5.44 5.75 -1.98 -2.18 115.11 129.70 2axl h GLN 44 Ca -0.03 -0.50 -0.04 0.00 -0.15 0.00 0.00 58.65 57.94 2axl h GLN 44 Cb 1.19 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.73 2axl h GLN 44 CO 0.04 1.15 0.26 -0.09 -2.65 0.00 0.00 178.83 177.54 2axl h ARG 45 N 0.75 0.96 -0.00 1.69 2.43 -2.00 -1.54 114.38 116.66 2axl h ARG 45 Ca 0.06 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2axl h ARG 45 Cb 1.00 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 2axl h ARG 45 CO 0.10 0.80 -0.14 1.28 -1.51 0.00 0.00 179.97 180.50 2axl n LEU 46 N -4.43 0.53 -0.10 3.80 4.77 -1.23 -3.20 117.00 117.14 2axl n LEU 46 Ca 0.04 -0.01 -0.21 0.00 -0.03 0.00 0.00 56.01 55.80 2axl n LEU 46 Cb 0.17 -0.19 -0.11 0.00 -2.33 0.00 0.00 43.42 40.95 2axl n LEU 46 CO 0.39 0.10 -0.47 0.00 -1.33 0.00 0.00 177.39 176.08 2axl h ALA 47 N 3.57 0.25 -0.82 -1.18 0.00 -0.75 -3.01 119.26 117.31 2axl h ALA 47 Ca 0.00 -1.17 -0.03 0.00 0.00 0.00 0.00 54.91 53.71 2axl h ALA 47 Cb 0.39 0.70 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 2axl h ALA 47 CO 0.00 0.67 0.40 -0.44 0.00 0.00 0.00 179.25 179.87 2axl h ASP 48 N -1.00 1.08 -0.45 0.00 3.32 -1.42 -1.81 116.42 116.14 2axl h ASP 48 Ca -0.33 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 2axl h ASP 48 Cb 1.27 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 2axl h ASP 48 CO -0.20 0.91 0.24 1.56 -1.72 0.00 0.00 179.24 180.03 2axl h GLN 49 N 1.17 0.62 -1.15 3.56 4.20 -1.72 -2.38 115.11 119.41 2axl h GLN 49 Ca 0.28 -0.08 -0.44 0.00 0.06 0.00 0.00 58.65 58.48 2axl h GLN 49 Cb 0.12 -0.12 -0.22 0.00 0.30 0.00 0.00 27.48 27.56 2axl h GLN 49 CO -0.04 0.50 0.56 0.66 -0.67 0.00 0.00 178.83 179.85 2axl n TYR 50 N -4.69 2.28 0.09 2.96 4.02 -0.96 -4.63 117.16 116.23 2axl n TYR 50 Ca 0.01 -2.01 -0.12 0.00 -0.01 0.00 0.00 57.90 55.76 2axl n TYR 50 Cb 0.09 -0.99 -0.06 0.00 -0.02 0.00 0.00 39.34 38.35 2axl n TYR 50 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 2axl h ARG 51 N 1.26 -0.21 -0.21 -0.72 0.11 -0.79 -2.70 114.38 111.11 2axl h ARG 51 Ca 0.45 0.01 -0.09 0.00 0.10 0.00 0.00 59.98 60.45 2axl h ARG 51 Cb 1.54 0.05 -0.01 0.00 1.11 0.00 0.00 29.97 32.66 2axl h ARG 51 CO 0.99 -0.14 -0.26 0.00 0.10 0.00 0.00 179.97 180.66 2axl h ARG 52 N -0.22 0.40 -5.17 0.08 2.47 -1.85 -3.42 114.38 106.66 2axl h ARG 52 Ca 0.01 -0.15 -0.52 0.00 -1.26 0.00 0.00 59.98 58.06 2axl h ARG 52 Cb 0.21 -0.03 -0.07 0.00 -1.65 0.00 0.00 29.97 28.44 2axl h ARG 52 CO -0.03 0.63 1.71 1.58 0.56 0.00 0.00 179.97 184.42 2axl n HIS 53 N -4.13 0.74 -0.12 3.04 -0.00 -1.02 -4.80 115.22 108.94 2axl n HIS 53 Ca -0.01 0.37 -0.12 0.00 0.46 0.00 0.00 57.72 58.43 2axl n HIS 53 Cb 0.40 -2.41 -0.03 0.00 -0.12 0.00 0.00 29.99 27.83 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 12.84 0.72 -0.51 0.26 0.87 -1.86 -3.06 113.55 122.81 2axl h SER 54 Ca -0.08 -0.39 0.15 0.00 -1.23 0.00 0.00 61.79 60.23 2axl h SER 54 Cb 1.31 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 2axl h SER 54 CO 1.33 0.94 0.74 -0.07 -0.53 0.00 0.00 176.83 179.24 2axl h LEU 55 N 0.48 0.00 -9.67 2.23 3.38 -1.96 -3.42 115.31 106.35 2axl h LEU 55 Ca 0.08 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.51 2axl h LEU 55 Cb 0.65 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.47 2axl h LEU 55 CO 0.04 0.00 0.91 0.33 0.09 0.00 0.00 178.44 179.81 2axl n PHE 56 N -3.29 2.67 -1.21 1.13 -0.00 -1.16 -2.89 117.46 112.71 2axl n PHE 56 Ca 0.10 0.17 -0.07 0.00 -0.00 0.00 0.00 57.45 57.65 2axl n PHE 56 Cb 0.92 -2.61 -0.03 0.00 -0.00 0.00 0.00 39.48 37.76 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 3.15 0.88 0.02 7.13 0.00 0.33 -4.85 105.19 111.85 2axl n GLY 57 Ca 0.13 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.58 0.12 1.99 2.61 -1.04 -1.04 -3.39 114.28 110.95 2axl n THR 58 Ca -0.07 -0.18 0.14 0.00 -2.04 0.00 0.00 64.05 61.90 2axl n THR 58 Cb 0.34 0.32 0.85 0.00 -1.82 0.00 0.00 70.33 70.01 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 1.40 -0.99 0.33 3.41 0.00 -1.19 -3.76 105.19 104.39 2axl n GLY 59 Ca 0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 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 0.02 1.13 0.00 1.61 3.64 -1.72 -1.94 116.57 119.30 2axl h LYS 60 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2axl h LYS 60 Cb 0.00 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.57 2axl h LYS 60 CO 0.00 0.75 0.00 -0.40 -2.27 0.00 0.00 179.45 177.53 2axl n ASP 61 N -4.48 0.44 -4.87 4.20 5.75 -1.25 -4.75 116.55 111.59 2axl n ASP 61 Ca 0.09 0.59 -0.37 0.00 -0.01 0.00 0.00 54.79 55.09 2axl n ASP 61 Cb 0.02 -0.69 -0.06 0.00 -1.03 0.00 0.00 41.12 39.36 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 -3.16 3.56 0.97 0.11 -0.21 -0.73 -5.09 119.66 115.11 2axl s GLN 62 Ca 0.07 -0.02 -0.13 0.00 0.02 0.00 0.00 55.36 55.30 2axl s GLN 62 Cb 0.11 -3.20 0.17 0.00 1.00 0.00 0.00 33.01 31.09 2axl s GLN 62 CO 0.40 0.75 1.12 0.95 -2.12 0.00 0.00 175.29 176.39 2axl s THR 63 N -1.00 1.98 0.11 -0.19 -4.23 -1.26 -4.93 115.64 106.13 2axl s THR 63 Ca 0.17 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.47 2axl s THR 63 Cb -0.13 -2.62 -0.09 0.00 1.34 0.00 0.00 72.50 71.00 2axl s THR 63 CO 0.06 0.00 1.76 -0.08 -0.54 0.00 0.00 174.62 175.82 2axl h GLU 64 N -1.76 0.18 0.00 3.99 4.57 -1.98 -3.01 114.58 116.57 2axl h GLU 64 Ca -0.52 -0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 57.60 2axl h GLU 64 Cb 1.33 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.87 2axl h GLU 64 CO 0.58 0.12 -0.22 0.66 -1.18 0.00 0.00 179.01 178.97 2axl h SER 65 N 0.19 0.00 -0.35 1.04 4.64 -1.97 0.86 113.55 117.95 2axl h SER 65 Ca 0.05 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.32 2axl h SER 65 Cb -0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 2axl h SER 65 CO -0.01 0.22 0.00 -0.25 -0.87 0.00 0.00 176.83 175.93 2axl h TRP 66 N 0.00 0.67 -0.08 4.77 2.91 -1.90 1.39 115.95 123.71 2axl h TRP 66 Ca -0.00 -0.12 -0.02 0.00 1.13 0.00 0.00 58.89 59.88 2axl h TRP 66 Cb 0.59 -0.18 -0.00 0.00 -0.51 0.00 0.00 29.16 29.06 2axl h TRP 66 CO 0.00 0.72 -0.03 -1.49 -1.03 0.00 0.00 178.44 176.61 2axl h TRP 67 N 0.43 0.18 -0.44 2.65 4.06 -1.43 0.82 115.95 122.23 2axl h TRP 67 Ca 0.10 -0.04 0.09 0.00 2.06 0.00 0.00 58.89 61.10 2axl h TRP 67 Cb 0.45 -0.04 -0.09 0.00 -1.00 0.00 0.00 29.16 28.48 2axl h TRP 67 CO 0.04 0.50 -0.15 -0.22 -3.56 0.00 0.00 178.44 175.05 2axl h LYS 68 N -0.19 -0.05 -0.67 0.49 1.63 -0.31 0.19 116.57 117.66 2axl h LYS 68 Ca 0.02 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.78 2axl h LYS 68 Cb 0.45 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.06 2axl h LYS 68 CO 0.01 -0.03 0.25 0.00 -3.45 0.00 0.00 179.45 176.23 2axl h ALA 69 N 1.33 0.87 -0.38 5.00 0.00 0.22 -2.74 119.26 123.56 2axl h ALA 69 Ca 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2axl h ALA 69 Cb 0.38 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2axl h ALA 69 CO -0.49 0.51 0.22 0.35 0.00 0.00 0.00 179.25 179.84 2axl h PHE 70 N 0.95 0.52 -0.93 0.00 3.57 0.35 -2.16 116.94 119.24 2axl h PHE 70 Ca 0.22 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.81 2axl h PHE 70 Cb 0.23 -0.17 -0.08 0.00 2.79 0.00 0.00 35.95 38.73 2axl h PHE 70 CO 0.02 0.39 0.57 0.77 -2.23 0.00 0.00 178.31 177.83 2axl h SER 71 N 0.50 0.85 -0.60 0.41 0.02 -0.75 -1.49 113.55 112.48 2axl h SER 71 Ca 0.14 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 2axl h SER 71 Cb 0.04 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 2axl h SER 71 CO -0.02 0.49 0.29 -0.09 -1.14 0.00 0.00 176.83 176.35 2axl h ARG 72 N 0.95 0.87 -0.70 3.45 2.43 -1.12 -2.89 114.38 117.37 2axl h ARG 72 Ca 0.44 -0.13 0.10 0.00 -0.81 0.00 0.00 59.98 59.58 2axl h ARG 72 Cb 0.36 -0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 29.68 2axl h ARG 72 CO -0.23 0.70 0.33 1.96 -1.51 0.00 0.00 179.97 181.22 2axl h GLN 73 N 0.82 0.54 -0.54 0.20 4.20 -0.67 -2.59 115.11 117.08 2axl h GLN 73 Ca 0.21 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.80 2axl h GLN 73 Cb 0.12 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2axl h GLN 73 CO -0.03 0.36 0.00 -0.07 -0.67 0.00 0.00 178.83 178.43 2axl h LEU 74 N 0.56 0.88 -0.24 1.46 3.38 -1.32 -3.06 115.31 116.97 2axl h LEU 74 Ca 0.35 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2axl h LEU 74 Cb 0.40 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2axl h LEU 74 CO -0.29 0.94 0.12 0.40 0.09 0.00 0.00 178.44 179.70 2axl h ILE 75 N 0.84 1.13 -0.47 1.22 2.04 -1.36 -2.63 117.51 118.30 2axl h ILE 75 Ca 0.16 -0.38 -0.09 0.00 1.00 0.00 0.00 64.86 65.55 2axl h ILE 75 Cb 0.49 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 2axl h ILE 75 CO 0.02 0.13 -0.06 0.74 0.00 0.00 0.00 178.15 178.99 2axl h THR 76 N 0.26 1.27 0.00 -0.27 2.02 -1.57 -3.00 112.91 111.62 2axl h THR 76 Ca 0.08 -1.15 -0.00 0.00 0.77 0.00 0.00 66.41 66.11 2axl h THR 76 Cb 0.10 1.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 2axl h THR 76 CO -0.01 0.40 -0.01 -0.33 0.37 0.00 0.00 175.52 175.94 2axl h GLU 77 N 0.71 0.00 0.00 6.66 5.08 -1.51 -3.45 114.58 122.07 2axl h GLU 77 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 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 0.01 0.00 0.41 -1.00 0.00 0.00 179.01 178.46 2axl n GLY 78 N -1.31 1.62 0.34 -3.84 0.00 -1.13 -4.92 105.19 95.94 2axl n GLY 78 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 0.57 -3.95 1.61 -1.00 -1.80 -3.43 116.94 108.94 2axl h PHE 79 Ca 0.00 0.01 -0.29 0.00 2.81 0.00 0.00 57.97 60.50 2axl h PHE 79 Cb 0.00 -0.19 -0.23 0.00 3.61 0.00 0.00 35.95 39.14 2axl h PHE 79 CO 0.00 0.30 -0.74 -1.17 -1.61 0.00 0.00 178.31 175.09 2axl s LEU 80 N -9.51 2.19 0.00 1.54 2.96 -1.00 -4.18 118.68 110.69 2axl s LEU 80 Ca -0.09 -0.44 0.05 0.00 -0.22 0.00 0.00 54.13 53.44 2axl s LEU 80 Cb 0.19 -0.20 -0.02 0.00 0.50 0.00 0.00 46.19 46.66 2axl s LEU 80 CO 0.75 -0.13 -0.16 0.54 -1.32 0.00 0.00 176.35 176.03 2axl s VAL 81 N -1.05 1.30 -0.07 1.68 0.11 -1.16 -4.22 120.40 116.99 2axl s VAL 81 Ca -0.07 -0.79 0.03 0.00 -2.93 0.00 0.00 61.98 58.23 2axl s VAL 81 Cb -0.08 -1.10 -0.02 0.00 -1.53 0.00 0.00 36.38 33.65 2axl s VAL 81 CO 0.00 0.30 -0.17 -1.61 -3.33 0.00 0.00 175.10 170.29 2axl s GLU 82 N -0.57 2.70 -0.23 1.54 2.02 -1.26 -1.33 118.70 121.57 2axl s GLU 82 Ca 0.06 -0.75 -0.07 0.00 0.02 0.00 0.00 54.97 54.23 2axl s GLU 82 Cb -0.07 -2.37 -0.03 0.00 0.10 0.00 0.00 34.13 31.76 2axl s GLU 82 CO -0.00 0.48 0.06 0.08 0.02 0.00 0.00 175.26 175.89 2axl s VAL 83 N -0.36 4.34 -0.71 2.63 1.01 -0.64 -4.93 120.40 121.73 2axl s VAL 83 Ca 0.03 -0.17 0.25 0.00 0.00 0.00 0.00 61.98 62.09 2axl s VAL 83 Cb -0.12 -3.01 0.12 0.00 0.00 0.00 0.00 36.38 33.37 2axl s VAL 83 CO 0.02 0.37 1.48 -0.24 0.00 0.00 0.00 175.10 176.74 2axl n SER 84 N 4.61 0.68 -0.26 3.32 2.88 -1.26 -2.04 113.62 121.54 2axl n SER 84 Ca -0.16 0.24 0.03 0.00 -1.33 0.00 0.00 58.87 57.64 2axl n SER 84 Cb 0.52 -0.13 0.09 0.00 -0.75 0.00 0.00 64.21 63.93 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 -2.08 1.33 -3.60 -1.46 1.74 -1.26 -4.59 116.66 106.74 2axl n ARG 85 Ca 0.04 -0.51 -0.19 0.00 -0.77 0.00 0.00 57.85 56.42 2axl n ARG 85 Cb 0.42 -1.13 -0.15 0.00 -1.02 0.00 0.00 32.46 30.59 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 -1.82 -0.13 -0.25 -1.55 1.51 -1.22 -4.97 117.35 108.93 2axl s TYR 86 Ca 0.11 0.29 -0.09 0.00 -1.01 0.00 0.00 57.07 56.37 2axl s TYR 86 Cb 0.06 -0.39 0.01 0.00 -0.11 0.00 0.00 41.96 41.53 2axl s TYR 86 CO 0.08 -0.42 0.35 0.09 -1.11 0.00 0.00 175.55 174.54 2axl n ASN 87 N 5.31 -5.46 0.00 2.29 3.02 -1.26 0.11 115.26 119.28 2axl n ASN 87 Ca -0.05 0.31 0.05 0.00 -0.03 0.00 0.00 54.58 54.86 2axl n ASN 87 Cb 0.50 -3.55 0.31 0.00 -0.61 0.00 0.00 39.78 36.42 2axl n ASN 87 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2axl n LYS 88 N -0.39 0.27 -0.02 3.52 5.02 -1.26 0.40 118.16 125.70 2axl n LYS 88 Ca 0.07 0.08 -0.12 0.00 -2.02 0.00 0.00 58.31 56.32 2axl n LYS 88 Cb 0.27 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.79 2axl n LYS 88 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2axl h PHE 89 N 0.00 0.83 0.00 2.13 0.04 -1.96 -3.42 116.94 114.56 2axl h PHE 89 Ca 0.00 -0.31 -0.07 0.00 2.80 0.00 0.00 57.97 60.39 2axl h PHE 89 Cb 0.04 -0.15 -0.09 0.00 2.20 0.00 0.00 35.95 37.95 2axl h PHE 89 CO 0.00 1.08 0.22 0.00 -0.60 0.00 0.00 178.31 179.00 2axl n MET 90 N -3.96 0.02 -1.39 1.51 0.00 0.44 -4.84 117.12 108.90 2axl n MET 90 Ca -0.04 -0.53 0.00 0.00 0.00 0.00 0.00 57.70 57.13 2axl n MET 90 Cb 0.63 -0.01 0.00 0.00 0.00 0.00 0.00 33.22 33.84 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 -0.01 -0.30 -1.30 3.17 4.01 0.16 -2.68 118.16 121.22 2axl n LYS 91 Ca -0.20 0.39 -0.48 0.00 -0.51 0.00 0.00 58.31 57.52 2axl n LYS 91 Cb 0.69 -0.35 -0.05 0.00 -0.51 0.00 0.00 35.03 34.81 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 1.20 0.99 -2.73 -0.18 0.13 0.31 -4.40 119.36 114.68 2axl n ILE 92 Ca 0.00 -0.25 -0.41 0.00 -1.10 0.00 0.00 62.75 60.99 2axl n ILE 92 Cb 0.10 0.00 -0.04 0.00 -0.84 0.00 0.00 39.64 38.86 2axl n ILE 92 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2axl s ALA 94 N 0.37 1.73 0.08 0.00 0.00 -0.44 -4.85 121.76 118.66 2axl s ALA 94 Ca 0.49 -0.84 -0.23 0.00 0.00 0.00 0.00 51.96 51.37 2axl s ALA 94 Cb -0.22 -0.51 -0.07 0.00 0.00 0.00 0.00 23.12 22.32 2axl s ALA 94 CO 0.29 0.36 0.70 -0.51 0.00 0.00 0.00 175.76 176.61 2axl s LEU 95 N -0.21 4.51 0.00 0.00 1.43 -1.26 -2.97 118.68 120.18 2axl s LEU 95 Ca 0.01 1.43 0.04 0.00 -1.03 0.00 0.00 54.13 54.58 2axl s LEU 95 Cb -0.11 -3.14 0.04 0.00 0.03 0.00 0.00 46.19 43.02 2axl s LEU 95 CO 0.01 0.14 0.36 0.35 0.23 0.00 0.00 176.35 177.44 2axl n THR 96 N 2.18 0.00 -0.10 5.49 -2.24 -1.26 -4.76 114.28 113.59 2axl n THR 96 Ca -0.06 -1.16 -0.07 0.00 -2.27 0.00 0.00 64.05 60.49 2axl n THR 96 Cb 0.50 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 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 0.35 -0.08 -0.78 1.79 -1.96 1.04 116.57 116.94 2axl h LYS 97 Ca -0.17 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.27 2axl h LYS 97 Cb 0.71 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2axl h LYS 97 CO 0.26 0.23 0.02 1.57 -1.08 0.00 0.00 179.45 180.45 2axl h LYS 98 N 0.36 0.13 -0.13 3.15 2.10 -1.93 -1.25 116.57 119.01 2axl h LYS 98 Ca 0.14 -0.03 -0.18 0.00 -2.00 0.00 0.00 60.65 58.58 2axl h LYS 98 Cb 0.05 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.36 2axl h LYS 98 CO -0.09 0.32 -0.67 0.78 -2.00 0.00 0.00 179.45 177.78 2axl h GLY 99 N -0.08 0.60 0.98 0.07 0.00 -1.66 -0.34 103.07 102.65 2axl h GLY 99 Ca 0.03 -0.78 -0.09 0.00 0.00 0.00 0.00 47.33 46.48 2axl h GLY 99 CO 0.00 0.70 -0.09 -0.09 0.00 0.00 0.00 176.54 177.07 2axl h ARG 100 N 0.39 0.79 -0.62 4.80 2.43 0.12 0.68 114.38 122.96 2axl h ARG 100 Ca -0.02 -0.29 -0.07 0.00 -0.81 0.00 0.00 59.98 58.78 2axl h ARG 100 Cb 1.25 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 2axl h ARG 100 CO 0.12 0.91 0.11 -0.97 -1.51 0.00 0.00 179.97 178.63 2axl h ASN 101 N 0.60 0.98 -0.07 -3.80 -1.24 -1.24 0.59 115.58 111.40 2axl h ASN 101 Ca 0.11 -0.26 0.01 0.00 0.71 0.00 0.00 56.30 56.87 2axl h ASN 101 Cb 0.61 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.39 2axl h ASN 101 CO 0.04 0.99 0.01 -0.25 -1.29 0.00 0.00 177.43 176.93 2axl h TRP 102 N 0.93 0.02 -0.49 0.67 7.01 -0.44 0.58 115.95 124.23 2axl h TRP 102 Ca 0.19 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.18 2axl h TRP 102 Cb 0.42 -0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.45 2axl h TRP 102 CO 0.03 0.01 0.24 1.25 -2.79 0.00 0.00 178.44 177.18 2axl h LEU 103 N 0.05 0.63 0.00 0.65 5.85 0.10 -0.94 115.31 121.65 2axl h LEU 103 Ca 0.03 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2axl h LEU 103 Cb 0.02 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.89 2axl h LEU 103 CO -0.04 0.58 -0.44 1.41 -0.34 0.00 0.00 178.44 179.61 2axl n HIS 104 N -4.63 0.49 -0.08 1.25 8.25 0.20 -4.03 115.22 116.67 2axl n HIS 104 Ca 0.02 0.14 -0.10 0.00 -0.26 0.00 0.00 57.72 57.51 2axl n HIS 104 Cb 0.11 -0.63 -0.08 0.00 1.12 0.00 0.00 29.99 30.51 2axl n HIS 104 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2axl n LYS 105 N -1.99 0.57 0.00 -0.41 3.00 0.20 -4.58 118.16 114.95 2axl n LYS 105 Ca 0.04 0.08 0.14 0.00 -0.00 0.00 0.00 58.31 58.58 2axl n LYS 105 Cb 0.41 -1.32 0.63 0.00 0.00 0.00 0.00 35.03 34.75 2axl n LYS 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2axl n ALA 106 N -2.91 2.61 -0.30 3.14 0.00 -0.37 -4.00 120.51 118.68 2axl n ALA 106 Ca -0.27 -0.18 0.30 0.00 0.00 0.00 0.00 53.44 53.29 2axl n ALA 106 Cb 0.81 -1.41 0.66 0.00 0.00 0.00 0.00 19.45 19.51 2axl n ALA 106 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2axl h ASN 107 N 0.13 0.16 0.00 0.00 -0.26 -1.71 -2.90 115.58 111.00 2axl h ASN 107 Ca 0.00 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 2axl h ASN 107 Cb 0.40 0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.66 2axl h ASN 107 CO 0.00 0.03 0.00 0.35 -1.06 0.00 0.00 177.43 176.75 2axl n THR 108 N -4.36 0.00 -3.16 2.81 -2.24 -1.26 -4.74 114.28 101.34 2axl n THR 108 Ca 0.24 0.32 -0.23 0.00 -2.27 0.00 0.00 64.05 62.12 2axl n THR 108 Cb 1.07 -1.23 -0.06 0.00 -2.10 0.00 0.00 70.33 68.01 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 0.72 -3.78 -0.78 1.02 -1.23 -5.08 120.64 111.51 2axl n GLU 109 Ca 0.00 -3.12 -0.24 0.00 -0.02 0.00 0.00 57.16 53.78 2axl n GLU 109 Cb 0.00 -1.23 -0.17 0.00 -0.02 0.00 0.00 31.44 30.01 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 -1.23 1.83 -0.41 1.62 0.01 -1.10 -5.09 113.70 109.33 2axl s SER 110 Ca 0.35 -0.20 0.03 0.00 1.31 0.00 0.00 55.95 57.44 2axl s SER 110 Cb 0.18 -0.50 0.11 0.00 0.21 0.00 0.00 66.02 66.02 2axl s SER 110 CO -0.12 -0.20 0.15 -1.10 0.41 0.00 0.00 173.24 172.38 2axl s GLN 111 N 1.93 1.55 -0.13 12.44 -0.21 -1.26 -4.82 119.66 129.16 2axl s GLN 111 Ca 0.04 -2.07 -0.07 0.00 0.02 0.00 0.00 55.36 53.28 2axl s GLN 111 Cb -0.13 -3.02 0.05 0.00 1.00 0.00 0.00 33.01 30.91 2axl s GLN 111 CO -0.06 -1.03 0.32 -1.12 -2.12 0.00 0.00 175.29 171.28 2axl s SER 112 N 0.49 -0.37 -0.30 5.90 0.01 -1.26 -4.82 113.70 113.36 2axl s SER 112 Ca 0.14 0.69 -0.13 0.00 1.31 0.00 0.00 55.95 57.95 2axl s SER 112 Cb -0.22 0.57 0.18 0.00 0.21 0.00 0.00 66.02 66.76 2axl s SER 112 CO -0.06 -0.18 1.09 -0.22 0.41 0.00 0.00 173.24 174.28 2axl s LEU 113 N 1.34 -0.34 -0.15 2.44 2.96 -1.26 -4.88 118.68 118.80 2axl s LEU 113 Ca -0.09 0.12 -0.22 0.00 -0.22 0.00 0.00 54.13 53.71 2axl s LEU 113 Cb -0.10 1.24 -0.03 0.00 0.50 0.00 0.00 46.19 47.81 2axl s LEU 113 CO -0.10 -0.06 0.68 -0.63 -1.32 0.00 0.00 176.35 174.92 2axl s ILE 114 N 2.97 5.01 0.39 6.68 1.01 -1.26 -3.32 121.20 132.67 2axl s ILE 114 Ca 0.13 1.34 0.06 0.00 0.00 0.00 0.00 60.65 62.18 2axl s ILE 114 Cb -0.05 -4.01 0.06 0.00 0.01 0.00 0.00 42.46 38.47 2axl s ILE 114 CO -0.16 0.15 0.52 0.18 0.00 0.00 0.00 174.94 175.62 2axl n LEU 115 N 4.64 0.00 -4.70 2.97 4.77 0.11 -4.89 117.00 119.89 2axl n LEU 115 Ca -0.00 -1.73 -0.42 0.00 -0.03 0.00 0.00 56.01 53.83 2axl n LEU 115 Cb 0.50 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 2axl n LEU 115 CO 0.46 -0.63 0.70 -1.10 -1.33 0.00 0.00 177.39 175.49 2axl s GLN 116 N -3.76 4.51 0.37 3.23 -0.21 -1.26 -3.21 119.66 119.33 2axl s GLN 116 Ca 0.39 1.38 -0.28 0.00 0.02 0.00 0.00 55.36 56.87 2axl s GLN 116 Cb -0.03 -3.49 -0.10 0.00 1.00 0.00 0.00 33.01 30.39 2axl s GLN 116 CO 0.25 -0.13 1.41 0.00 -2.12 0.00 0.00 175.29 174.70 2axl s ALA 117 N 1.32 3.51 0.60 6.09 0.00 3.12 -4.72 121.76 131.68 2axl s ALA 117 Ca 0.50 1.44 -0.19 0.00 0.00 0.00 0.00 51.96 53.71 2axl s ALA 117 Cb -0.20 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 2axl s ALA 117 CO 0.24 -0.91 1.03 0.09 0.00 0.00 0.00 175.76 176.21 2axl n ASN 118 N 0.51 1.05 -0.02 0.00 3.02 -1.26 -4.01 115.26 114.55 2axl n ASN 118 Ca 0.01 0.82 -0.11 0.00 -0.03 0.00 0.00 54.58 55.27 2axl n ASN 118 Cb 0.40 -1.42 -0.06 0.00 -0.61 0.00 0.00 39.78 38.10 2axl n ASN 118 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 2axl h GLU 119 N 0.56 0.17 -5.03 3.52 4.11 -1.87 -3.35 114.58 112.69 2axl h GLU 119 Ca -0.49 -0.02 -0.69 0.00 0.07 0.00 0.00 59.36 58.23 2axl h GLU 119 Cb 1.36 -0.03 -0.18 0.00 0.50 0.00 0.00 28.75 30.40 2axl h GLU 119 CO 0.52 0.23 0.85 -1.21 0.07 0.00 0.00 179.01 179.46 2axl s GLU 120 N -5.73 3.61 0.01 1.06 2.02 -1.26 -4.79 118.70 113.62 2axl s GLU 120 Ca -0.14 -1.77 0.18 0.00 0.02 0.00 0.00 54.97 53.26 2axl s GLU 120 Cb 0.06 -4.92 -0.18 0.00 0.10 0.00 0.00 34.13 29.19 2axl s GLU 120 CO 0.69 -1.77 0.65 1.28 0.02 0.00 0.00 175.26 176.13 2axl n LEU 121 N 6.54 0.59 -3.02 1.80 4.77 -1.26 -4.78 117.00 121.65 2axl n LEU 121 Ca 0.24 0.26 -0.06 0.00 -0.03 0.00 0.00 56.01 56.42 2axl n LEU 121 Cb 0.49 0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.69 2axl n LEU 121 CO 0.51 0.17 0.04 0.00 -1.33 0.00 0.00 177.39 176.77 2axl n PRO 123 N 3.53 0.06 -0.69 0.00 -0.02 -1.26 -3.59 135.00 133.02 2axl n PRO 123 Ca 0.16 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.51 2axl n PRO 123 Cb 0.54 -1.00 0.06 0.00 -0.02 0.00 0.00 33.50 33.08 2axl n PRO 123 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2axl n LYS 124 N -0.46 1.64 0.00 -0.52 4.81 -1.26 -4.49 118.16 117.88 2axl n LYS 124 Ca 0.00 -1.38 0.00 0.00 -0.87 0.00 0.00 58.31 56.06 2axl n LYS 124 Cb 0.00 -1.54 0.00 0.00 0.02 0.00 0.00 35.03 33.51 2axl n LYS 124 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2axl n LYS 125 N 0.09 0.70 -2.57 1.64 4.01 -1.24 -4.69 118.16 116.11 2axl n LYS 125 Ca 0.27 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.66 2axl n LYS 125 Cb 0.81 -1.35 -0.03 0.00 -0.51 0.00 0.00 35.03 33.95 2axl n LYS 125 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2axl s LEU 126 N 0.00 3.35 0.40 -0.35 1.98 -1.26 -4.99 118.68 117.80 2axl s LEU 126 Ca 0.00 -0.85 -0.23 0.00 -2.89 0.00 0.00 54.13 50.16 2axl s LEU 126 Cb 0.00 -2.56 -0.10 0.00 0.66 0.00 0.00 46.19 44.19 2axl s LEU 126 CO 0.00 -1.70 0.97 -0.76 -1.89 0.00 0.00 176.35 172.98 2axl s LEU 127 N 5.37 4.07 -0.40 -0.68 1.43 -1.26 -5.04 118.68 122.18 2axl s LEU 127 Ca 0.39 1.81 0.03 0.00 -1.03 0.00 0.00 54.13 55.33 2axl s LEU 127 Cb -0.05 -4.34 0.16 0.00 0.03 0.00 0.00 46.19 41.99 2axl s LEU 127 CO 0.06 -0.35 0.38 -0.22 0.23 0.00 0.00 176.35 176.45 2axl s LEU 128 N -2.81 0.45 0.43 1.79 1.98 -1.26 -5.13 118.68 114.13 2axl s LEU 128 Ca 0.59 -2.26 -0.26 0.00 -2.89 0.00 0.00 54.13 49.31 2axl s LEU 128 Cb -0.15 0.22 -0.09 0.00 0.66 0.00 0.00 46.19 46.83 2axl s LEU 128 CO 0.19 -0.20 1.45 -2.65 -1.89 0.00 0.00 176.35 173.25 2axl n PRO 129 N 3.51 2.38 -2.67 0.98 -0.02 -1.26 -4.97 135.00 132.95 2axl n PRO 129 Ca 0.19 0.84 -0.38 0.00 -2.02 0.00 0.00 63.50 62.14 2axl n PRO 129 Cb 0.46 -2.64 -0.05 0.00 -0.02 0.00 0.00 33.50 31.25 2axl n PRO 129 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2axl s SER 130 N -0.36 7.23 -0.41 2.55 0.01 -1.26 -4.99 113.70 116.46 2axl s SER 130 Ca 0.59 1.97 -0.25 0.00 1.31 0.00 0.00 55.95 59.57 2axl s SER 130 Cb -0.46 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.20 2axl s SER 130 CO 0.60 -0.15 0.89 -0.94 0.41 0.00 0.00 173.24 174.04 2axl s SER 131 N -1.42 6.57 -0.08 2.44 1.04 -1.26 -5.03 113.70 115.96 2axl s SER 131 Ca 0.50 0.33 -0.07 0.00 0.48 0.00 0.00 55.95 57.18 2axl s SER 131 Cb -0.23 -2.44 -0.04 0.00 0.10 0.00 0.00 66.02 63.41 2axl s SER 131 CO 0.29 -0.91 0.19 -0.54 0.98 0.00 0.00 173.24 173.25 2axl s LYS 132 N 3.50 3.51 0.65 4.02 1.02 -1.26 -5.10 119.74 126.09 2axl s LYS 132 Ca 0.36 -0.08 -0.07 0.00 0.02 0.00 0.00 55.97 56.20 2axl s LYS 132 Cb -0.11 -3.17 0.03 0.00 -0.52 0.00 0.00 37.83 34.05 2axl s LYS 132 CO 0.21 0.74 0.98 0.95 -0.92 0.00 0.00 175.35 177.32 2axl s THR 133 N -1.10 3.08 -0.09 2.17 -4.23 -1.26 -5.09 115.64 109.13 2axl s THR 133 Ca 0.19 -0.03 0.04 0.00 -1.18 0.00 0.00 61.69 60.71 2axl s THR 133 Cb -0.13 -3.28 -0.00 0.00 1.34 0.00 0.00 72.50 70.43 2axl s THR 133 CO 0.08 -0.30 -0.23 0.54 -0.54 0.00 0.00 174.62 174.17 2axl s VAL 134 N -3.15 1.97 -1.27 2.29 0.11 -1.26 -5.00 120.40 114.08 2axl s VAL 134 Ca 0.57 -0.98 0.25 0.00 -2.93 0.00 0.00 61.98 58.89 2axl s VAL 134 Cb -0.11 -1.70 0.04 0.00 -1.53 0.00 0.00 36.38 33.08 2axl s VAL 134 CO 0.46 0.54 1.35 -1.54 -3.33 0.00 0.00 175.10 172.58 2axl n SER 135 N 3.43 0.82 -4.75 3.54 3.41 -1.26 -4.93 113.62 113.88 2axl n SER 135 Ca -0.19 -0.62 -0.33 0.00 -0.26 0.00 0.00 58.87 57.47 2axl n SER 135 Cb 0.53 0.35 0.08 0.00 -0.26 0.00 0.00 64.21 64.90 2axl n SER 135 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2axl s SER 136 N -2.83 4.60 0.00 4.04 0.15 -1.26 -3.38 113.70 115.01 2axl s SER 136 Ca 0.15 2.10 0.00 0.00 0.70 0.00 0.00 55.95 58.89 2axl s SER 136 Cb 0.18 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2axl s SER 136 CO 0.67 -1.98 0.00 0.61 1.20 0.00 0.00 173.24 173.74 2axl n GLY 137 N -0.28 0.61 3.74 9.45 0.00 -1.26 -5.01 105.19 112.43 2axl n GLY 137 Ca 0.11 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 2axl n GLY 137 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2axl s THR 138 N -2.00 2.75 -0.30 2.61 2.01 -1.22 -4.98 115.64 114.51 2axl s THR 138 Ca 0.00 0.62 -0.02 0.00 0.31 0.00 0.00 61.69 62.61 2axl s THR 138 Cb 0.00 -3.40 0.19 0.00 0.01 0.00 0.00 72.50 69.30 2axl s THR 138 CO 0.00 0.10 0.67 -0.54 -0.69 0.00 0.00 174.62 174.16 2axl s LYS 139 N -0.30 0.50 -0.01 4.92 -0.14 -1.26 -5.02 119.74 118.44 2axl s LYS 139 Ca 0.59 0.82 0.04 0.00 -1.36 0.00 0.00 55.97 56.06 2axl s LYS 139 Cb -0.41 0.44 -0.07 0.00 -1.68 0.00 0.00 37.83 36.11 2axl s LYS 139 CO 0.42 -0.63 0.09 -1.91 -0.76 0.00 0.00 175.35 172.57 2axl n GLU 140 N 5.42 0.29 -0.13 1.68 4.07 -1.26 -4.56 120.64 126.16 2axl n GLU 140 Ca -0.00 -0.04 -0.07 0.00 -0.06 0.00 0.00 57.16 56.98 2axl n GLU 140 Cb 0.52 -1.10 0.01 0.00 -0.06 0.00 0.00 31.44 30.81 2axl n GLU 140 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2axl h HIS 141 N 0.00 0.46 0.08 4.31 2.76 -1.95 -3.29 115.15 117.52 2axl h HIS 141 Ca -0.01 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2axl h HIS 141 Cb 0.25 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.06 2axl h HIS 141 CO 0.00 0.28 -0.04 0.00 -1.30 0.00 0.00 177.93 176.87 2axl s TYR 143 N -2.23 3.73 -2.00 0.00 5.04 -1.24 -5.24 117.35 115.40 2axl s TYR 143 Ca -0.02 1.70 0.18 0.00 -2.44 0.00 0.00 57.07 56.49 2axl s TYR 143 Cb 0.00 -3.05 1.06 0.00 0.35 0.00 0.00 41.96 40.32 2axl s TYR 143 CO 0.05 0.11 1.46 0.27 -1.34 0.00 0.00 175.55 176.10