#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qxw s ILE 2 N 0.00 4.86 0.06 3.17 -1.09 -1.26 -1.46 121.20 125.48 1qxw s ILE 2 Ca 0.00 0.01 -0.31 0.00 -2.23 0.00 0.00 60.65 58.12 1qxw s ILE 2 Cb 0.00 -3.26 -0.06 0.00 -1.58 0.00 0.00 42.46 37.56 1qxw s ILE 2 CO 0.00 0.35 1.19 -0.69 -1.23 0.00 0.00 174.94 174.56 1qxw s VAL 3 N 1.21 4.06 0.00 2.92 1.01 1.00 -4.90 120.40 125.70 1qxw s VAL 3 Ca 0.06 1.49 0.00 0.00 0.00 0.00 0.00 61.98 63.53 1qxw s VAL 3 Cb -0.14 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1qxw s VAL 3 CO 0.05 0.12 0.00 0.29 0.00 0.00 0.00 175.10 175.56 1qxw n LYS 4 N 3.85 2.77 -4.15 2.72 5.02 -1.26 -4.59 118.16 122.50 1qxw n LYS 4 Ca 0.08 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.22 1qxw n LYS 4 Cb 0.47 -0.69 -0.11 0.00 -0.02 0.00 0.00 35.03 34.67 1qxw n LYS 4 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1qxw s THR 5 N -1.17 0.91 0.47 -0.18 -4.23 -1.26 -5.02 115.64 105.16 1qxw s THR 5 Ca 0.00 -1.46 0.18 0.00 -1.18 0.00 0.00 61.69 59.24 1qxw s THR 5 Cb 0.00 -1.15 0.23 0.00 1.34 0.00 0.00 72.50 72.92 1qxw s THR 5 CO 0.00 -0.44 2.06 -0.08 -0.54 0.00 0.00 174.62 175.62 1qxw h GLU 6 N 3.91 0.00 -0.31 3.99 4.57 -1.99 -1.25 114.58 123.50 1qxw h GLU 6 Ca -0.38 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 57.68 1qxw h GLU 6 Cb 1.19 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 1qxw h GLU 6 CO 0.47 0.12 -0.29 0.93 -1.18 0.00 0.00 179.01 179.07 1qxw h GLU 7 N 0.00 0.65 -0.34 1.92 3.07 -1.99 -0.29 114.58 117.60 1qxw h GLU 7 Ca -0.00 -0.28 -0.08 0.00 -0.50 0.00 0.00 59.36 58.50 1qxw h GLU 7 Cb 0.24 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 1qxw h GLU 7 CO 0.02 0.86 -0.12 0.93 -1.40 0.00 0.00 179.01 179.30 1qxw h GLU 8 N 0.56 0.68 -0.57 2.33 5.08 -1.68 -2.10 114.58 118.87 1qxw h GLU 8 Ca 0.07 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1qxw h GLU 8 Cb 0.78 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 1qxw h GLU 8 CO 0.06 0.86 0.36 1.25 -1.00 0.00 0.00 179.01 180.55 1qxw h LEU 9 N 0.46 0.60 -0.65 1.33 5.85 -1.04 -0.42 115.31 121.44 1qxw h LEU 9 Ca 0.08 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 1qxw h LEU 9 Cb 0.63 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1qxw h LEU 9 CO 0.04 0.43 0.09 1.56 -0.34 0.00 0.00 178.44 180.22 1qxw h GLN 10 N 0.72 1.08 -0.72 1.25 4.20 -1.01 -0.66 115.11 119.97 1qxw h GLN 10 Ca 0.22 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 1qxw h GLN 10 Cb -0.02 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 1qxw h GLN 10 CO -0.08 1.00 0.27 0.00 -0.67 0.00 0.00 178.83 179.35 1qxw h ALA 11 N 1.03 1.12 -0.31 3.87 0.00 -0.90 -0.02 119.26 124.05 1qxw h ALA 11 Ca 0.19 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1qxw h ALA 11 Cb 0.46 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1qxw h ALA 11 CO 0.02 0.62 -0.46 -0.07 0.00 0.00 0.00 179.25 179.36 1qxw h LEU 12 N 1.05 0.88 -0.94 0.00 3.38 -0.76 -2.57 115.31 116.34 1qxw h LEU 12 Ca 0.24 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1qxw h LEU 12 Cb 0.23 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1qxw h LEU 12 CO -0.02 1.20 0.04 0.11 0.09 0.00 0.00 178.44 179.87 1qxw h LYS 13 N 0.65 0.82 0.09 1.13 1.57 -0.75 -1.32 116.57 118.75 1qxw h LYS 13 Ca 0.04 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1qxw h LYS 13 Cb 1.04 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1qxw h LYS 13 CO 0.10 0.79 -0.04 1.49 -0.57 0.00 0.00 179.45 181.22 1qxw h GLU 14 N 0.77 -0.12 0.00 3.15 4.57 -0.82 -0.88 114.58 121.25 1qxw h GLU 14 Ca 0.16 0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.24 1qxw h GLU 14 Cb 0.40 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 1qxw h GLU 14 CO 0.01 0.11 -0.52 0.97 -1.18 0.00 0.00 179.01 178.41 1qxw h ILE 15 N -0.33 1.33 -0.47 2.32 6.09 -1.43 -2.21 117.51 122.80 1qxw h ILE 15 Ca -0.01 -1.80 -0.05 0.00 -1.37 0.00 0.00 64.86 61.63 1qxw h ILE 15 Cb 0.28 1.98 -0.02 0.00 0.47 0.00 0.00 36.82 39.54 1qxw h ILE 15 CO 0.02 0.51 0.09 1.23 -3.07 0.00 0.00 178.15 176.93 1qxw h GLY 16 N 1.65 0.82 0.98 8.18 0.00 -1.11 -1.22 103.07 112.37 1qxw h GLY 16 Ca -0.01 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 1qxw h GLY 16 CO 0.07 0.50 0.25 -1.82 0.00 0.00 0.00 176.54 175.54 1qxw h TYR 17 N 0.64 0.58 -0.41 5.60 5.03 -0.83 -0.79 116.97 126.77 1qxw h TYR 17 Ca 0.14 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.46 1qxw h TYR 17 Cb 0.37 -0.19 -0.03 0.00 1.55 0.00 0.00 36.73 38.43 1qxw h TYR 17 CO 0.03 0.42 0.25 0.82 -1.32 0.00 0.00 178.16 178.36 1qxw h ILE 18 N 0.57 1.06 -0.66 1.81 2.04 -1.24 0.56 117.51 121.66 1qxw h ILE 18 Ca 0.15 -0.18 -0.07 0.00 1.00 0.00 0.00 64.86 65.77 1qxw h ILE 18 Cb 0.02 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 1qxw h ILE 18 CO -0.03 0.09 0.14 0.00 0.00 0.00 0.00 178.15 178.36 1qxw h ALA 20 N 1.15 0.79 -0.59 0.00 0.00 -0.69 0.21 119.26 120.13 1qxw h ALA 20 Ca 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1qxw h ALA 20 Cb 0.38 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1qxw h ALA 20 CO 0.00 0.47 0.34 -0.22 0.00 0.00 0.00 179.25 179.84 1qxw h LYS 21 N 0.87 0.81 -0.18 0.00 1.63 -0.56 0.70 116.57 119.84 1qxw h LYS 21 Ca 0.19 -0.09 -0.02 0.00 -0.85 0.00 0.00 60.65 59.89 1qxw h LYS 21 Cb 0.30 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.76 1qxw h LYS 21 CO -0.01 0.61 0.03 0.28 -3.45 0.00 0.00 179.45 176.91 1qxw h VAL 22 N 0.80 1.23 -0.31 2.00 2.07 -1.04 -0.89 116.25 120.10 1qxw h VAL 22 Ca 0.21 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 67.03 1qxw h VAL 22 Cb 0.02 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1qxw h VAL 22 CO -0.04 0.22 0.08 -0.09 0.02 0.00 0.00 177.57 177.77 1qxw h ARG 23 N 0.09 0.20 -0.50 1.57 2.43 -0.67 -0.46 114.38 117.04 1qxw h ARG 23 Ca 0.05 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1qxw h ARG 23 Cb 0.32 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1qxw h ARG 23 CO 0.00 0.13 0.24 -0.91 -1.51 0.00 0.00 179.97 177.93 1qxw h ASN 24 N 0.21 0.66 -0.36 -3.80 2.35 -0.77 -0.60 115.58 113.27 1qxw h ASN 24 Ca 0.14 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1qxw h ASN 24 Cb 0.13 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1qxw h ASN 24 CO -0.16 0.60 0.14 0.74 -1.65 0.00 0.00 177.43 177.09 1qxw h THR 25 N 0.67 1.19 -0.24 2.81 2.02 -0.90 -0.97 112.91 117.49 1qxw h THR 25 Ca 0.17 -0.59 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 1qxw h THR 25 Cb 0.11 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1qxw h THR 25 CO -0.02 0.21 0.13 0.24 0.37 0.00 0.00 175.52 176.45 1qxw h MET 26 N 0.43 0.33 -0.67 6.66 2.86 -0.96 -2.36 114.93 121.21 1qxw h MET 26 Ca 0.12 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.76 1qxw h MET 26 Cb 0.19 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.74 1qxw h MET 26 CO -0.01 0.29 0.41 0.37 1.06 0.00 0.00 176.91 179.03 1qxw h GLN 27 N 0.28 0.76 0.00 1.72 4.15 -0.93 -1.49 115.11 119.61 1qxw h GLN 27 Ca 0.08 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.42 1qxw h GLN 27 Cb 0.05 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 1qxw h GLN 27 CO -0.01 0.50 -0.17 0.00 -1.93 0.00 0.00 178.83 177.22 1qxw h ALA 28 N 1.30 1.69 -0.01 3.38 0.00 -0.96 -2.03 119.26 122.64 1qxw h ALA 28 Ca 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1qxw h ALA 28 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1qxw h ALA 28 CO -0.13 0.21 -0.12 0.00 0.00 0.00 0.00 179.25 179.22 1qxw n ALA 29 N -2.49 2.81 -2.62 0.00 0.00 -0.62 -4.80 120.51 112.80 1qxw n ALA 29 Ca -0.02 -0.36 -0.42 0.00 0.00 0.00 0.00 53.44 52.63 1qxw n ALA 29 Cb 0.24 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 1qxw n ALA 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1qxw s THR 30 N -2.31 4.06 0.08 0.00 2.01 -0.76 -4.90 115.64 113.81 1qxw s THR 30 Ca 0.31 0.51 -0.06 0.00 0.31 0.00 0.00 61.69 62.77 1qxw s THR 30 Cb 0.20 -4.73 -0.01 0.00 0.01 0.00 0.00 72.50 67.97 1qxw s THR 30 CO 0.44 -1.43 0.12 -1.59 -0.69 0.00 0.00 174.62 171.47 1qxw s LYS 31 N 4.84 0.78 0.21 4.92 -2.85 -1.26 -4.93 119.74 121.45 1qxw s LYS 31 Ca 0.36 -1.05 -0.32 0.00 -1.00 0.00 0.00 55.97 53.96 1qxw s LYS 31 Cb -0.10 0.30 -0.14 0.00 -2.06 0.00 0.00 37.83 35.84 1qxw s LYS 31 CO 0.20 -0.22 1.45 -2.30 0.10 0.00 0.00 175.35 174.57 1qxw n PRO 32 N -0.01 2.01 0.00 1.78 -0.02 -1.26 -2.42 135.00 135.07 1qxw n PRO 32 Ca -0.14 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1qxw n PRO 32 Cb 0.62 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1qxw n PRO 32 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qxw n GLY 33 N 2.53 2.71 3.85 -1.23 0.00 -0.36 -4.99 105.19 107.71 1qxw n GLY 33 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 1qxw n GLY 33 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1qxw s ILE 34 N -2.66 4.85 0.37 -0.61 2.07 -1.02 -4.83 121.20 119.38 1qxw s ILE 34 Ca 0.00 0.77 0.01 0.00 -1.41 0.00 0.00 60.65 60.02 1qxw s ILE 34 Cb 0.00 -3.71 -0.02 0.00 0.13 0.00 0.00 42.46 38.86 1qxw s ILE 34 CO 0.00 0.14 0.57 0.42 -1.91 0.00 0.00 174.94 174.16 1qxw s THR 35 N -1.58 4.70 0.34 4.00 -4.23 -1.26 -0.46 115.64 117.14 1qxw s THR 35 Ca 0.41 -0.54 0.12 0.00 -1.18 0.00 0.00 61.69 60.50 1qxw s THR 35 Cb -0.14 -3.71 0.06 0.00 1.34 0.00 0.00 72.50 70.06 1qxw s THR 35 CO 0.20 -0.45 1.77 0.71 -0.54 0.00 0.00 174.62 176.31 1qxw h THR 36 N 0.68 1.29 -0.54 3.99 1.35 -1.22 -1.61 112.91 116.84 1qxw h THR 36 Ca -0.48 -1.49 -0.11 0.00 -0.55 0.00 0.00 66.41 63.78 1qxw h THR 36 Cb 1.23 1.81 -0.02 0.00 -1.73 0.00 0.00 68.15 69.44 1qxw h THR 36 CO 0.59 0.42 -0.10 0.50 -0.25 0.00 0.00 175.52 176.69 1qxw h LYS 37 N 0.00 1.02 -0.94 4.72 1.63 -1.30 -0.57 116.57 121.13 1qxw h LYS 37 Ca -0.00 -0.37 -0.01 0.00 -0.85 0.00 0.00 60.65 59.42 1qxw h LYS 37 Cb 0.77 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 32.29 1qxw h LYS 37 CO 0.06 1.06 0.56 0.93 -3.45 0.00 0.00 179.45 178.60 1qxw h GLU 38 N 0.91 1.28 -0.82 1.90 5.08 -1.67 0.06 114.58 121.32 1qxw h GLU 38 Ca 0.14 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1qxw h GLU 38 Cb 0.66 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.61 1qxw h GLU 38 CO 0.05 0.90 0.36 -0.07 -1.00 0.00 0.00 179.01 179.24 1qxw h LEU 39 N 1.29 1.10 -1.02 1.33 3.38 -1.03 -2.79 115.31 117.58 1qxw h LEU 39 Ca 0.33 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 1qxw h LEU 39 Cb -0.04 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 1qxw h LEU 39 CO -0.06 0.95 -0.12 -0.78 0.09 0.00 0.00 178.44 178.52 1qxw h ASP 40 N 1.18 0.54 0.08 -0.43 3.58 -0.19 -2.53 116.42 118.66 1qxw h ASP 40 Ca 0.28 -0.15 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 1qxw h ASP 40 Cb 0.17 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.07 1qxw h ASP 40 CO -0.03 0.70 -0.08 0.78 -2.88 0.00 0.00 179.24 177.73 1qxw h ASN 41 N 0.51 0.00 -0.38 2.28 -0.26 -0.74 -1.68 115.58 115.32 1qxw h ASN 41 Ca 0.09 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.83 1qxw h ASN 41 Cb 0.52 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.76 1qxw h ASN 41 CO 0.03 0.08 0.23 0.40 -1.06 0.00 0.00 177.43 177.11 1qxw h ILE 42 N 0.00 1.12 -0.81 2.81 2.04 -1.39 -2.07 117.51 119.21 1qxw h ILE 42 Ca -0.00 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 1qxw h ILE 42 Cb 0.14 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1qxw h ILE 42 CO 0.01 0.12 0.42 0.00 0.00 0.00 0.00 178.15 178.71 1qxw h ALA 43 N 1.10 1.04 -0.24 1.87 0.00 -1.37 -1.27 119.26 120.39 1qxw h ALA 43 Ca 0.14 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1qxw h ALA 43 Cb -0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.41 1qxw h ALA 43 CO -0.03 0.58 -0.10 -0.22 0.00 0.00 0.00 179.25 179.48 1qxw h LYS 44 N 1.14 -0.05 -0.52 0.00 3.64 -1.06 0.17 116.57 119.89 1qxw h LYS 44 Ca 0.28 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.55 1qxw h LYS 44 Cb 0.07 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1qxw h LYS 44 CO -0.04 -0.04 -0.13 0.93 -2.27 0.00 0.00 179.45 177.90 1qxw h GLU 45 N -0.06 1.00 -0.34 1.90 4.39 -1.02 -2.33 114.58 118.13 1qxw h GLU 45 Ca 0.12 -0.39 -0.17 0.00 0.34 0.00 0.00 59.36 59.27 1qxw h GLU 45 Cb 0.24 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 1qxw h GLU 45 CO -0.28 1.07 -0.45 -0.07 -1.16 0.00 0.00 179.01 178.12 1qxw h LEU 46 N 0.87 0.96 -0.73 1.33 3.38 -0.94 -0.97 115.31 119.21 1qxw h LEU 46 Ca 0.13 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.68 1qxw h LEU 46 Cb 0.70 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 1qxw h LEU 46 CO 0.05 1.26 0.45 -0.26 0.09 0.00 0.00 178.44 180.03 1qxw h PHE 47 N 0.70 0.83 -0.35 1.13 0.05 -0.60 0.01 116.94 118.71 1qxw h PHE 47 Ca 0.04 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.85 1qxw h PHE 47 Cb 1.04 -0.27 -0.02 0.00 2.00 0.00 0.00 35.95 38.71 1qxw h PHE 47 CO 0.06 0.45 0.19 0.93 -0.18 0.00 0.00 178.31 179.76 1qxw h GLU 48 N 0.85 0.50 -0.78 1.51 5.08 -1.20 -0.14 114.58 120.40 1qxw h GLU 48 Ca 0.31 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.64 1qxw h GLU 48 Cb 0.09 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 1qxw h GLU 48 CO -0.14 0.42 0.49 1.49 -1.00 0.00 0.00 179.01 180.27 1qxw h GLU 49 N 0.44 0.91 -0.23 2.33 4.81 -0.33 -2.83 114.58 119.68 1qxw h GLU 49 Ca 0.12 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1qxw h GLU 49 Cb 0.07 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1qxw h GLU 49 CO -0.02 0.60 0.00 0.66 -0.73 0.00 0.00 179.01 179.52 1qxw n TYR 50 N -4.63 0.29 -2.48 0.92 4.01 -0.09 -4.95 117.16 110.23 1qxw n TYR 50 Ca 0.09 -0.14 -0.14 0.00 -0.16 0.00 0.00 57.90 57.55 1qxw n TYR 50 Cb 0.11 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.15 1qxw n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qxw n GLY 51 N 1.22 -0.15 3.73 2.72 0.00 -0.61 -5.03 105.19 107.07 1qxw n GLY 51 Ca 0.17 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.70 1qxw n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qxw s ALA 52 N -2.80 3.49 -0.03 4.61 0.00 -0.16 -4.77 121.76 122.10 1qxw s ALA 52 Ca 0.09 -1.86 0.04 0.00 0.00 0.00 0.00 51.96 50.23 1qxw s ALA 52 Cb -0.04 -0.68 -0.00 0.00 0.00 0.00 0.00 23.12 22.39 1qxw s ALA 52 CO 0.11 0.02 -0.14 0.42 0.00 0.00 0.00 175.76 176.17 1qxw s ILE 53 N -2.45 1.17 0.04 0.00 1.01 -0.24 -4.32 121.20 116.41 1qxw s ILE 53 Ca 0.38 -0.60 -0.35 0.00 0.00 0.00 0.00 60.65 60.08 1qxw s ILE 53 Cb -0.02 -1.00 -0.14 0.00 0.01 0.00 0.00 42.46 41.31 1qxw s ILE 53 CO 0.22 0.34 1.66 -0.24 0.00 0.00 0.00 174.94 176.93 1qxw n SER 54 N 3.02 2.97 -0.06 3.58 2.88 -1.26 -1.01 113.62 123.75 1qxw n SER 54 Ca -0.17 1.05 -0.13 0.00 -1.33 0.00 0.00 58.87 58.29 1qxw n SER 54 Cb 0.54 -1.36 -0.07 0.00 -0.75 0.00 0.00 64.21 62.57 1qxw n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qxw h ALA 55 N 6.94 0.23 -0.67 -1.46 0.00 -1.40 -1.82 119.26 121.08 1qxw h ALA 55 Ca -0.47 -0.35 0.14 0.00 0.00 0.00 0.00 54.91 54.23 1qxw h ALA 55 Cb 1.27 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 1qxw h ALA 55 CO 0.90 0.16 0.13 -1.35 0.00 0.00 0.00 179.25 179.10 1qxw h PRO 56 N 0.04 0.24 0.16 0.00 0.11 -1.79 0.56 132.00 131.31 1qxw h PRO 56 Ca 0.02 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 1qxw h PRO 56 Cb 0.75 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1qxw h PRO 56 CO 0.05 0.16 -0.07 0.82 -0.21 0.00 0.00 178.00 178.74 1qxw h ILE 57 N 0.25 0.98 0.12 4.15 2.04 -1.72 -1.13 117.51 122.20 1qxw h ILE 57 Ca 0.36 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 1qxw h ILE 57 Cb 0.58 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1qxw h ILE 57 CO -0.47 0.18 -0.06 -0.74 0.00 0.00 0.00 178.15 177.06 1qxw h HIS 58 N -0.60 -0.15 0.14 1.37 2.76 -0.92 -1.40 115.15 116.35 1qxw h HIS 58 Ca -0.02 -0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 57.84 1qxw h HIS 58 Cb 0.45 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.47 1qxw h HIS 58 CO 0.05 -0.03 -1.44 -0.44 -1.30 0.00 0.00 177.93 174.76 1qxw h ASP 59 N -0.24 0.48 0.00 3.26 3.45 0.01 -3.40 116.42 119.97 1qxw h ASP 59 Ca -0.02 -0.58 0.00 0.00 0.43 0.00 0.00 57.03 56.86 1qxw h ASP 59 Cb 0.19 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 38.80 1qxw h ASP 59 CO 0.03 1.47 0.00 -0.62 -1.57 0.00 0.00 179.24 178.55 1qxw n GLU 60 N -3.52 -0.89 -3.45 3.56 -0.58 -0.57 -4.99 120.64 110.19 1qxw n GLU 60 Ca -0.14 -0.49 -0.25 0.00 -0.42 0.00 0.00 57.16 55.86 1qxw n GLU 60 Cb 1.05 -0.99 0.03 0.00 -0.57 0.00 0.00 31.44 30.96 1qxw n GLU 60 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1qxw n ASN 61 N -0.01 -5.27 -4.75 1.62 5.15 -0.53 -4.94 115.26 106.54 1qxw n ASN 61 Ca 0.00 -0.49 -0.41 0.00 -0.60 0.00 0.00 54.58 53.08 1qxw n ASN 61 Cb 0.00 -4.23 -0.03 0.00 -0.53 0.00 0.00 39.78 34.99 1qxw n ASN 61 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1qxw s PHE 62 N -3.18 3.30 -1.51 1.20 5.36 -0.53 -4.92 117.98 117.70 1qxw s PHE 62 Ca 0.48 1.41 -0.12 0.00 -0.96 0.00 0.00 56.93 57.74 1qxw s PHE 62 Cb -0.23 -3.53 0.00 0.00 -0.34 0.00 0.00 43.02 38.92 1qxw s PHE 62 CO 0.59 -1.48 2.48 -0.35 -1.46 0.00 0.00 175.22 175.01 1qxw n PRO 63 N 1.77 3.25 0.00 10.12 -0.04 -1.26 -4.21 135.00 144.63 1qxw n PRO 63 Ca 0.02 -2.53 0.00 0.00 -0.04 0.00 0.00 63.50 60.95 1qxw n PRO 63 Cb 0.43 -3.08 0.00 0.00 -0.04 0.00 0.00 33.50 30.82 1qxw n PRO 63 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qxw n GLY 64 N 3.77 2.29 0.25 0.55 0.00 -1.26 -4.58 105.19 106.21 1qxw n GLY 64 Ca 0.61 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1qxw n GLY 64 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1qxw h GLN 65 N 0.00 0.83 -5.08 1.61 1.08 -1.86 -3.37 115.11 108.31 1qxw h GLN 65 Ca 0.00 -0.23 -0.47 0.00 -1.45 0.00 0.00 58.65 56.50 1qxw h GLN 65 Cb 0.00 -0.09 -0.14 0.00 -0.05 0.00 0.00 27.48 27.20 1qxw h GLN 65 CO 0.00 0.83 -0.58 0.95 -0.95 0.00 0.00 178.83 179.08 1qxw s THR 66 N -5.16 0.84 -0.25 -0.54 -4.23 -1.26 -4.52 115.64 100.52 1qxw s THR 66 Ca -0.13 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.29 1qxw s THR 66 Cb 0.11 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.29 1qxw s THR 66 CO 0.81 0.00 0.13 0.00 -0.54 0.00 0.00 174.62 175.01 1qxw s ILE 68 N 1.41 1.75 -0.14 0.00 1.01 -0.63 -1.08 121.20 123.51 1qxw s ILE 68 Ca 0.06 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.72 1qxw s ILE 68 Cb -0.15 -1.76 -0.00 0.00 0.01 0.00 0.00 42.46 40.56 1qxw s ILE 68 CO 0.06 0.25 -0.16 -0.44 0.00 0.00 0.00 174.94 174.65 1qxw s SER 69 N 1.36 3.65 -0.06 3.58 0.01 0.17 -3.77 113.70 118.64 1qxw s SER 69 Ca -0.00 -0.46 0.05 0.00 1.31 0.00 0.00 55.95 56.86 1qxw s SER 69 Cb -0.16 -1.55 -0.01 0.00 0.21 0.00 0.00 66.02 64.52 1qxw s SER 69 CO -0.09 0.11 -0.22 -0.69 0.41 0.00 0.00 173.24 172.75 1qxw s VAL 70 N 0.67 1.85 0.00 3.43 1.01 -1.24 -0.70 120.40 125.42 1qxw s VAL 70 Ca -0.08 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 60.95 1qxw s VAL 70 Cb -0.16 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.64 1qxw s VAL 70 CO 0.02 0.52 0.00 0.59 0.00 0.00 0.00 175.10 176.23 1qxw n ASN 71 N 3.09 0.00 0.25 3.32 3.02 0.15 -1.06 115.26 124.04 1qxw n ASN 71 Ca -0.18 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.50 1qxw n ASN 71 Cb 0.52 0.00 0.63 0.00 -0.61 0.00 0.00 39.78 40.32 1qxw n ASN 71 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1qxw h GLU 72 N 0.00 0.00 -6.14 3.52 9.09 -1.90 -3.43 114.58 115.71 1qxw h GLU 72 Ca 0.00 0.00 -0.56 0.00 0.05 0.00 0.00 59.36 58.85 1qxw h GLU 72 Cb 0.00 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.05 1qxw h GLU 72 CO 0.00 0.14 0.07 -1.21 0.05 0.00 0.00 179.01 178.06 1qxw s GLU 73 N -3.87 4.41 -0.19 1.06 2.02 -0.22 -3.40 118.70 118.51 1qxw s GLU 73 Ca -0.01 0.88 0.08 0.00 0.02 0.00 0.00 54.97 55.94 1qxw s GLU 73 Cb 0.11 -3.38 -0.17 0.00 0.10 0.00 0.00 34.13 30.80 1qxw s GLU 73 CO 0.59 0.26 -0.07 0.28 0.02 0.00 0.00 175.26 176.35 1qxw n VAL 74 N 3.02 1.16 -3.53 2.63 0.31 0.06 -3.72 118.33 118.27 1qxw n VAL 74 Ca -0.04 -0.57 -0.13 0.00 -0.01 0.00 0.00 64.34 63.59 1qxw n VAL 74 Cb 0.51 -0.91 -0.04 0.00 -0.91 0.00 0.00 33.84 32.49 1qxw n VAL 74 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qxw s ALA 75 N -2.41 -1.35 -1.79 3.52 0.00 -1.20 -4.90 121.76 113.63 1qxw s ALA 75 Ca -0.18 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.23 1qxw s ALA 75 Cb 0.06 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.78 1qxw s ALA 75 CO 0.57 -0.62 0.00 0.72 0.00 0.00 0.00 175.76 176.44 1qxw n HIS 76 N 0.03 -0.99 -2.08 0.00 8.25 -1.26 -1.18 115.22 117.99 1qxw n HIS 76 Ca -0.17 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.89 1qxw n HIS 76 Cb 0.62 -3.96 -0.01 0.00 1.12 0.00 0.00 29.99 27.76 1qxw n HIS 76 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1qxw s GLY 77 N -2.06 2.96 -0.26 -1.41 0.00 -1.25 -3.41 107.32 101.90 1qxw s GLY 77 Ca 0.00 1.25 -0.19 0.00 0.00 0.00 0.00 44.72 45.78 1qxw s GLY 77 CO 0.00 1.87 0.57 -0.42 0.00 0.00 0.00 173.10 175.12 1qxw s ILE 78 N -1.20 5.02 0.25 0.90 1.01 -1.26 -1.60 121.20 124.32 1qxw s ILE 78 Ca 0.53 1.00 -0.31 0.00 0.00 0.00 0.00 60.65 61.87 1qxw s ILE 78 Cb -0.39 -3.88 -0.13 0.00 0.01 0.00 0.00 42.46 38.06 1qxw s ILE 78 CO 0.51 0.05 1.41 -2.65 0.00 0.00 0.00 174.94 174.26 1qxw n PRO 79 N 5.63 2.07 -0.80 2.79 -0.02 -1.26 -4.91 135.00 138.50 1qxw n PRO 79 Ca -0.02 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1qxw n PRO 79 Cb 0.49 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1qxw n PRO 79 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1qxw n SER 80 N 2.06 0.00 0.00 2.55 3.41 -1.26 -4.64 113.62 115.74 1qxw n SER 80 Ca 0.11 -0.73 0.12 0.00 -0.26 0.00 0.00 58.87 58.11 1qxw n SER 80 Cb 0.32 0.00 0.72 0.00 -0.26 0.00 0.00 64.21 64.99 1qxw n SER 80 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1qxw n LYS 81 N 0.00 0.72 -1.67 4.33 5.02 -1.26 -0.95 118.16 124.35 1qxw n LYS 81 Ca 0.00 0.01 -0.47 0.00 -2.02 0.00 0.00 58.31 55.83 1qxw n LYS 81 Cb 0.00 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.47 1qxw n LYS 81 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1qxw n ARG 82 N -1.03 2.15 -3.51 1.97 0.63 -1.26 -4.81 116.66 110.80 1qxw n ARG 82 Ca 0.18 0.78 -0.38 0.00 -0.92 0.00 0.00 57.85 57.51 1qxw n ARG 82 Cb 0.10 -2.58 -0.06 0.00 0.45 0.00 0.00 32.46 30.36 1qxw n ARG 82 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1qxw s VAL 83 N 2.31 5.12 0.28 5.15 0.11 -1.26 -1.48 120.40 130.63 1qxw s VAL 83 Ca 0.85 0.77 -0.29 0.00 -2.93 0.00 0.00 61.98 60.38 1qxw s VAL 83 Cb -0.69 -3.69 -0.10 0.00 -1.53 0.00 0.00 36.38 30.37 1qxw s VAL 83 CO 0.44 0.52 1.18 -0.63 -3.33 0.00 0.00 175.10 173.29 1qxw s ILE 84 N -0.63 3.26 0.20 7.04 -1.09 0.39 -4.91 121.20 125.46 1qxw s ILE 84 Ca 0.22 1.23 0.09 0.00 -2.23 0.00 0.00 60.65 59.96 1qxw s ILE 84 Cb -0.16 -3.78 -0.05 0.00 -1.58 0.00 0.00 42.46 36.90 1qxw s ILE 84 CO 0.11 0.27 -0.17 -0.13 -1.23 0.00 0.00 174.94 173.79 1qxw s ARG 85 N -1.30 1.36 0.19 2.79 1.81 -1.26 -1.22 118.95 121.32 1qxw s ARG 85 Ca 0.48 -1.54 -0.33 0.00 -1.72 0.00 0.00 55.73 52.61 1qxw s ARG 85 Cb -0.34 -1.32 -0.14 0.00 -0.45 0.00 0.00 34.95 32.70 1qxw s ARG 85 CO 0.44 0.25 1.45 -1.91 -0.68 0.00 0.00 175.30 174.84 1qxw n GLU 86 N -0.14 1.93 -0.27 3.54 4.07 -1.26 -1.77 120.64 126.75 1qxw n GLU 86 Ca -0.10 0.69 0.00 0.00 -0.06 0.00 0.00 57.16 57.70 1qxw n GLU 86 Cb 0.59 -2.38 0.00 0.00 -0.06 0.00 0.00 31.44 29.59 1qxw n GLU 86 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1qxw n GLY 87 N 2.69 1.14 3.77 8.31 0.00 0.91 -4.89 105.19 117.13 1qxw n GLY 87 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1qxw n GLY 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qxw s ASP 88 N -3.02 6.26 -0.38 1.61 1.01 -0.73 -4.62 116.67 116.81 1qxw s ASP 88 Ca 0.00 2.94 -0.16 0.00 0.71 0.00 0.00 52.55 56.04 1qxw s ASP 88 Cb 0.00 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.27 1qxw s ASP 88 CO 0.00 -0.91 0.38 -0.22 0.21 0.00 0.00 175.17 174.62 1qxw s LEU 89 N -2.26 4.68 -0.08 1.23 2.96 -1.26 -0.95 118.68 122.99 1qxw s LEU 89 Ca 0.55 -0.48 0.05 0.00 -0.22 0.00 0.00 54.13 54.02 1qxw s LEU 89 Cb -0.44 -2.32 -0.01 0.00 0.50 0.00 0.00 46.19 43.92 1qxw s LEU 89 CO 0.59 -0.44 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.25 1qxw s VAL 90 N 2.00 2.12 -0.16 1.68 1.01 -0.19 -0.67 120.40 126.19 1qxw s VAL 90 Ca 0.11 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 1qxw s VAL 90 Cb -0.17 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 1qxw s VAL 90 CO 0.12 0.56 -0.09 0.21 0.00 0.00 0.00 175.10 175.91 1qxw s ASN 91 N 0.09 4.24 -0.20 3.32 3.84 0.12 -1.02 114.94 125.34 1qxw s ASN 91 Ca -0.11 -0.31 -0.02 0.00 0.21 0.00 0.00 52.86 52.62 1qxw s ASN 91 Cb -0.16 -1.68 -0.00 0.00 -0.55 0.00 0.00 41.25 38.86 1qxw s ASN 91 CO 0.06 0.11 -0.08 -0.63 -2.79 0.00 0.00 177.10 173.77 1qxw s ILE 92 N 0.72 3.07 -0.23 -5.21 1.01 -0.37 -0.66 121.20 119.53 1qxw s ILE 92 Ca -0.04 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.03 1qxw s ILE 92 Cb -0.15 -2.37 0.04 0.00 0.01 0.00 0.00 42.46 39.99 1qxw s ILE 92 CO 0.02 0.46 -0.13 -0.62 0.00 0.00 0.00 174.94 174.66 1qxw s ASP 93 N 1.33 3.98 -0.19 3.58 3.68 -0.24 -1.53 116.67 127.28 1qxw s ASP 93 Ca 0.04 -1.07 -0.03 0.00 2.13 0.00 0.00 52.55 53.63 1qxw s ASP 93 Cb -0.14 -1.54 -0.01 0.00 -1.45 0.00 0.00 42.92 39.77 1qxw s ASP 93 CO -0.05 -0.12 -0.06 -0.69 0.13 0.00 0.00 175.17 174.38 1qxw s VAL 94 N 1.20 3.33 0.01 1.11 1.01 0.90 -2.24 120.40 125.72 1qxw s VAL 94 Ca -0.03 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1qxw s VAL 94 Cb -0.17 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 1qxw s VAL 94 CO -0.08 0.46 -0.04 -0.94 0.00 0.00 0.00 175.10 174.50 1qxw s SER 95 N 1.11 0.46 0.27 3.32 1.04 -1.26 -1.16 113.70 117.48 1qxw s SER 95 Ca 0.01 -0.17 -0.21 0.00 0.48 0.00 0.00 55.95 56.06 1qxw s SER 95 Cb -0.15 -0.02 0.02 0.00 0.10 0.00 0.00 66.02 65.98 1qxw s SER 95 CO -0.01 -0.02 0.72 0.00 0.98 0.00 0.00 173.24 174.91 1qxw s ALA 96 N -0.37 -1.26 0.06 5.32 0.00 -0.75 -1.17 121.76 123.59 1qxw s ALA 96 Ca -0.02 -0.24 0.04 0.00 0.00 0.00 0.00 51.96 51.74 1qxw s ALA 96 Cb -0.03 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 23.90 1qxw s ALA 96 CO -0.00 -1.02 -0.11 -0.48 0.00 0.00 0.00 175.76 174.15 1qxw s LEU 97 N -2.91 2.28 -0.16 0.00 2.34 -0.18 -1.82 118.68 118.24 1qxw s LEU 97 Ca 0.10 -0.61 -0.08 0.00 0.06 0.00 0.00 54.13 53.60 1qxw s LEU 97 Cb -0.06 -0.34 0.06 0.00 -0.56 0.00 0.00 46.19 45.30 1qxw s LEU 97 CO 0.06 -0.16 0.37 -0.75 -1.06 0.00 0.00 176.35 174.81 1qxw s LYS 98 N -1.81 0.33 -1.40 1.48 2.20 -0.22 -1.08 119.74 119.24 1qxw s LYS 98 Ca -0.04 0.76 -0.07 0.00 -0.36 0.00 0.00 55.97 56.26 1qxw s LYS 98 Cb -0.09 -0.00 0.04 0.00 -1.51 0.00 0.00 37.83 36.26 1qxw s LYS 98 CO 0.01 -0.18 0.50 0.09 -0.36 0.00 0.00 175.35 175.42 1qxw n ASN 99 N 4.46 -4.83 0.00 1.43 3.02 -1.26 -1.83 115.26 116.25 1qxw n ASN 99 Ca -0.21 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 1qxw n ASN 99 Cb 0.54 -3.95 0.00 0.00 -0.61 0.00 0.00 39.78 35.75 1qxw n ASN 99 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qxw n GLY 100 N -1.30 1.24 3.56 7.41 0.00 -1.26 -5.04 105.19 109.80 1qxw n GLY 100 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 1qxw n GLY 100 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qxw s TYR 101 N -3.28 2.74 0.23 1.61 1.51 -0.76 -4.56 117.35 114.85 1qxw s TYR 101 Ca 0.00 -0.15 0.11 0.00 -1.01 0.00 0.00 57.07 56.02 1qxw s TYR 101 Cb 0.00 -1.47 -0.05 0.00 -0.11 0.00 0.00 41.96 40.33 1qxw s TYR 101 CO 0.00 0.39 -0.14 0.71 -1.11 0.00 0.00 175.55 175.40 1qxw s TYR 102 N -1.13 2.47 0.06 2.71 2.02 0.25 -1.06 117.35 122.66 1qxw s TYR 102 Ca 0.20 -0.28 0.00 0.00 -0.37 0.00 0.00 57.07 56.61 1qxw s TYR 102 Cb -0.11 -1.15 -0.04 0.00 -0.40 0.00 0.00 41.96 40.27 1qxw s TYR 102 CO 0.11 0.59 -0.04 0.00 -1.57 0.00 0.00 175.55 174.64 1qxw s ALA 103 N -2.07 0.63 -0.22 3.71 0.00 -0.76 -4.49 121.76 118.56 1qxw s ALA 103 Ca 0.27 -1.17 -0.07 0.00 0.00 0.00 0.00 51.96 50.99 1qxw s ALA 103 Cb -0.07 0.21 0.10 0.00 0.00 0.00 0.00 23.12 23.36 1qxw s ALA 103 CO 0.15 -0.28 0.46 0.34 0.00 0.00 0.00 175.76 176.43 1qxw s ASP 104 N -2.74 -0.43 0.05 0.00 -1.08 -1.26 -1.81 116.67 109.40 1qxw s ASP 104 Ca 0.05 1.10 -0.16 0.00 -0.52 0.00 0.00 52.55 53.03 1qxw s ASP 104 Cb 0.04 1.54 0.03 0.00 -1.46 0.00 0.00 42.92 43.07 1qxw s ASP 104 CO -0.07 -0.23 0.35 0.28 0.52 0.00 0.00 175.17 176.02 1qxw s THR 105 N 2.67 0.07 0.06 1.71 -1.32 -0.31 -2.97 115.64 115.56 1qxw s THR 105 Ca -0.02 -0.59 -0.25 0.00 -1.21 0.00 0.00 61.69 59.62 1qxw s THR 105 Cb -0.12 -0.95 0.06 0.00 -1.51 0.00 0.00 72.50 69.98 1qxw s THR 105 CO -0.14 -0.33 0.59 -0.83 -2.21 0.00 0.00 174.62 171.71 1qxw s GLY 106 N -2.07 -0.54 -0.14 6.08 0.00 -0.65 -0.07 107.32 109.93 1qxw s GLY 106 Ca -0.05 0.74 -0.12 0.00 0.00 0.00 0.00 44.72 45.29 1qxw s GLY 106 CO -0.03 0.41 0.37 -1.50 0.00 0.00 0.00 173.10 172.35 1qxw s ILE 107 N -2.62 -0.00 -0.07 0.90 2.07 -0.58 -1.09 121.20 119.80 1qxw s ILE 107 Ca -0.04 0.02 -0.00 0.00 -1.41 0.00 0.00 60.65 59.21 1qxw s ILE 107 Cb -0.01 -0.53 -0.03 0.00 0.13 0.00 0.00 42.46 42.02 1qxw s ILE 107 CO -0.03 0.01 -0.03 -0.44 -1.91 0.00 0.00 174.94 172.54 1qxw s SER 108 N 0.37 4.95 0.19 4.50 0.01 -0.84 -1.23 113.70 121.65 1qxw s SER 108 Ca -0.01 0.05 -0.17 0.00 1.31 0.00 0.00 55.95 57.13 1qxw s SER 108 Cb -0.04 -1.32 0.03 0.00 0.21 0.00 0.00 66.02 64.90 1qxw s SER 108 CO -0.01 0.36 0.51 0.72 0.41 0.00 0.00 173.24 175.23 1qxw s PHE 109 N -0.87 -0.09 -0.14 2.43 -0.71 -0.19 -4.89 117.98 113.53 1qxw s PHE 109 Ca 0.13 -0.26 -0.06 0.00 -1.04 0.00 0.00 56.93 55.71 1qxw s PHE 109 Cb -0.11 0.36 -0.04 0.00 -1.21 0.00 0.00 43.02 42.02 1qxw s PHE 109 CO 0.02 -0.90 0.08 0.08 -1.34 0.00 0.00 175.22 173.17 1qxw s VAL 110 N -3.88 5.02 -0.36 -2.49 1.01 -1.26 -1.02 120.40 117.42 1qxw s VAL 110 Ca 0.10 0.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.86 1qxw s VAL 110 Cb -0.01 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 33.18 1qxw s VAL 110 CO -0.03 0.55 0.87 -0.69 0.00 0.00 0.00 175.10 175.81 1qxw s VAL 111 N -0.45 4.65 0.00 2.92 1.01 -0.13 -4.87 120.40 123.53 1qxw s VAL 111 Ca 0.10 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1qxw s VAL 111 Cb -0.12 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.98 1qxw s VAL 111 CO 0.02 -0.49 0.00 0.61 0.00 0.00 0.00 175.10 175.24 1qxw n GLY 112 N 4.42 3.61 3.31 4.51 0.00 -1.26 -0.06 105.19 119.72 1qxw n GLY 112 Ca 0.06 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 1qxw n GLY 112 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qxw s GLU 113 N 0.00 2.34 0.21 1.61 2.02 -1.26 -4.79 118.70 118.83 1qxw s GLU 113 Ca 0.00 -0.89 0.06 0.00 0.02 0.00 0.00 54.97 54.15 1qxw s GLU 113 Cb 0.00 -2.13 -0.04 0.00 0.10 0.00 0.00 34.13 32.06 1qxw s GLU 113 CO 0.00 0.49 0.21 0.45 0.02 0.00 0.00 175.26 176.43 1qxw s SER 114 N -0.44 5.72 0.02 -0.19 0.15 -1.26 -3.03 113.70 114.66 1qxw s SER 114 Ca 0.05 -0.12 0.26 0.00 0.70 0.00 0.00 55.95 56.84 1qxw s SER 114 Cb -0.12 -1.53 1.10 0.00 -1.71 0.00 0.00 66.02 63.76 1qxw s SER 114 CO 0.01 0.01 1.84 -0.90 1.20 0.00 0.00 173.24 175.39 1qxw n ASP 115 N -0.84 0.05 -4.16 5.45 3.85 -1.26 -4.62 116.55 115.03 1qxw n ASP 115 Ca -0.08 0.51 -0.34 0.00 -0.71 0.00 0.00 54.79 54.17 1qxw n ASP 115 Cb 0.56 -0.52 -0.14 0.00 -1.35 0.00 0.00 41.12 39.67 1qxw n ASP 115 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1qxw s ASP 116 N -3.10 4.48 0.10 -1.12 -1.08 -1.26 -4.99 116.67 109.70 1qxw s ASP 116 Ca 0.12 -1.11 0.11 0.00 -0.52 0.00 0.00 52.55 51.15 1qxw s ASP 116 Cb 0.17 -1.65 0.52 0.00 -1.46 0.00 0.00 42.92 40.50 1qxw s ASP 116 CO 0.48 -0.18 1.34 -2.65 0.52 0.00 0.00 175.17 174.68 1qxw n PRO 117 N 4.60 0.05 0.18 4.34 -0.02 -1.26 -2.52 135.00 140.38 1qxw n PRO 117 Ca -0.15 0.46 0.05 0.00 -2.02 0.00 0.00 63.50 61.84 1qxw n PRO 117 Cb 0.45 -1.65 0.48 0.00 -0.02 0.00 0.00 33.50 32.76 1qxw n PRO 117 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1qxw h MET 118 N 0.00 0.11 -0.15 -0.52 4.05 -1.97 -1.49 114.93 114.96 1qxw h MET 118 Ca 0.00 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 1qxw h MET 118 Cb 0.10 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 1qxw h MET 118 CO 0.00 0.23 0.08 0.87 0.23 0.00 0.00 176.91 178.32 1qxw h LYS 119 N 0.11 0.22 -0.40 0.39 1.57 -1.90 -1.68 116.57 114.88 1qxw h LYS 119 Ca 0.02 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 1qxw h LYS 119 Cb 0.27 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1qxw h LYS 119 CO 0.02 0.26 -0.11 0.37 -0.57 0.00 0.00 179.45 179.42 1qxw h GLN 120 N 0.13 0.71 -0.48 3.15 5.75 -1.73 -3.06 115.11 119.58 1qxw h GLN 120 Ca 0.05 -0.23 0.04 0.00 -0.15 0.00 0.00 58.65 58.37 1qxw h GLN 120 Cb 0.11 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.56 1qxw h GLN 120 CO -0.01 0.80 0.24 -0.22 -2.65 0.00 0.00 178.83 177.00 1qxw h LYS 121 N 0.65 0.46 -0.24 1.69 3.64 -0.79 0.18 116.57 122.16 1qxw h LYS 121 Ca 0.11 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 1qxw h LYS 121 Cb 0.56 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1qxw h LYS 121 CO 0.04 0.30 -0.12 -0.39 -2.27 0.00 0.00 179.45 177.00 1qxw h VAL 122 N 0.47 1.21 -0.34 2.00 -1.51 -1.27 -0.75 116.25 116.06 1qxw h VAL 122 Ca 0.21 -0.93 -0.05 0.00 -1.23 0.00 0.00 66.70 64.70 1qxw h VAL 122 Cb 0.12 1.17 -0.01 0.00 -2.13 0.00 0.00 31.29 30.44 1qxw h VAL 122 CO -0.15 0.30 0.01 0.00 -1.23 0.00 0.00 177.57 176.50 1qxw h ASP 124 N 0.42 0.77 0.32 0.00 3.32 -0.08 -2.14 116.42 119.03 1qxw h ASP 124 Ca 0.10 -0.06 -0.19 0.00 0.02 0.00 0.00 57.03 56.90 1qxw h ASP 124 Cb 0.44 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 1qxw h ASP 124 CO 0.02 0.60 -0.79 0.58 -1.72 0.00 0.00 179.24 177.93 1qxw h VAL 125 N 0.87 1.40 -0.63 -1.35 2.07 -1.10 -1.87 116.25 115.63 1qxw h VAL 125 Ca 0.23 -2.26 -0.03 0.00 0.82 0.00 0.00 66.70 65.45 1qxw h VAL 125 Cb -0.02 2.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1qxw h VAL 125 CO -0.04 0.68 0.25 0.00 0.02 0.00 0.00 177.57 178.48 1qxw h ALA 126 N 0.91 1.25 -0.21 1.67 0.00 -0.98 0.32 119.26 122.22 1qxw h ALA 126 Ca -0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1qxw h ALA 126 Cb 1.38 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1qxw h ALA 126 CO 0.13 0.55 0.03 1.15 0.00 0.00 0.00 179.25 181.11 1qxw h THR 127 N 0.91 1.23 -0.74 0.00 2.02 -1.23 -1.29 112.91 113.81 1qxw h THR 127 Ca 0.22 -0.76 -0.03 0.00 0.77 0.00 0.00 66.41 66.60 1qxw h THR 127 Cb 0.18 1.32 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 1qxw h THR 127 CO -0.02 0.24 0.33 0.24 0.37 0.00 0.00 175.52 176.68 1qxw h MET 128 N 0.15 1.07 -0.63 6.66 2.86 -1.00 -1.66 114.93 122.38 1qxw h MET 128 Ca 0.06 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1qxw h MET 128 Cb 0.33 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 1qxw h MET 128 CO 0.00 0.84 0.38 0.00 1.06 0.00 0.00 176.91 179.19 1qxw h ALA 129 N 1.30 0.81 -0.25 6.32 0.00 -0.15 0.05 119.26 127.34 1qxw h ALA 129 Ca 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1qxw h ALA 129 Cb 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1qxw h ALA 129 CO -0.03 0.29 0.11 0.35 0.00 0.00 0.00 179.25 179.97 1qxw h PHE 130 N 0.86 0.38 -0.51 0.00 3.04 -0.96 -0.15 116.94 119.59 1qxw h PHE 130 Ca 0.23 -0.02 0.05 0.00 3.98 0.00 0.00 57.97 62.20 1qxw h PHE 130 Cb -0.01 -0.11 -0.05 0.00 2.56 0.00 0.00 35.95 38.34 1qxw h PHE 130 CO -0.02 0.38 0.25 0.93 -2.02 0.00 0.00 178.31 177.84 1qxw h GLU 131 N 0.27 0.48 -0.20 1.11 5.08 -1.00 -1.27 114.58 119.05 1qxw h GLU 131 Ca 0.09 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 1qxw h GLU 131 Cb 0.16 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1qxw h GLU 131 CO -0.01 0.32 -0.29 -0.91 -1.00 0.00 0.00 179.01 177.12 1qxw h ASN 132 N 0.49 0.40 -0.13 1.42 2.35 -0.74 -2.58 115.58 116.79 1qxw h ASN 132 Ca 0.23 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 1qxw h ASN 132 Cb 0.15 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1qxw h ASN 132 CO -0.17 0.69 -0.03 0.00 -1.65 0.00 0.00 177.43 176.27 1qxw h ALA 133 N 1.35 0.18 0.00 -0.83 0.00 -0.42 -3.17 119.26 116.37 1qxw h ALA 133 Ca 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1qxw h ALA 133 Cb 0.69 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1qxw h ALA 133 CO 0.05 -0.08 -0.05 -0.84 0.00 0.00 0.00 179.25 178.34 1qxw h ILE 134 N -0.05 0.12 0.00 0.00 3.07 -1.19 -1.90 117.51 117.56 1qxw h ILE 134 Ca 0.03 -0.70 -0.00 0.00 1.55 0.00 0.00 64.86 65.75 1qxw h ILE 134 Cb 0.44 1.62 -0.00 0.00 -0.27 0.00 0.00 36.82 38.61 1qxw h ILE 134 CO 0.01 0.05 -0.02 0.00 -1.05 0.00 0.00 178.15 177.14 1qxw h ALA 135 N 1.95 1.07 0.00 0.16 0.00 -1.43 -2.34 119.26 118.68 1qxw h ALA 135 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1qxw h ALA 135 Cb 0.62 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1qxw h ALA 135 CO 0.01 0.02 -0.60 1.63 0.00 0.00 0.00 179.25 180.30 1qxw n LYS 136 N -3.21 0.07 -2.71 0.00 4.76 -0.71 -4.92 118.16 111.45 1qxw n LYS 136 Ca -0.02 0.01 -0.43 0.00 -2.87 0.00 0.00 58.31 55.00 1qxw n LYS 136 Cb 0.15 -1.53 -0.03 0.00 -1.84 0.00 0.00 35.03 31.78 1qxw n LYS 136 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1qxw s VAL 137 N -3.04 4.38 0.11 -0.18 1.01 -0.88 -4.87 120.40 116.92 1qxw s VAL 137 Ca 0.09 1.13 -0.23 0.00 0.00 0.00 0.00 61.98 62.97 1qxw s VAL 137 Cb 0.17 -4.49 0.06 0.00 0.00 0.00 0.00 36.38 32.12 1qxw s VAL 137 CO 0.72 -0.82 0.56 -0.75 0.00 0.00 0.00 175.10 174.81 1qxw s LYS 138 N 4.00 1.17 0.29 2.72 2.20 -1.26 -4.32 119.74 124.54 1qxw s LYS 138 Ca 0.43 -0.37 -0.30 0.00 -0.36 0.00 0.00 55.97 55.37 1qxw s LYS 138 Cb -0.09 0.54 -0.12 0.00 -1.51 0.00 0.00 37.83 36.64 1qxw s LYS 138 CO 0.26 -0.47 1.43 -2.30 -0.36 0.00 0.00 175.35 173.91 1qxw n PRO 139 N -0.05 2.27 0.00 4.03 -0.02 -1.26 -2.05 135.00 137.93 1qxw n PRO 139 Ca -0.17 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1qxw n PRO 139 Cb 0.63 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1qxw n PRO 139 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qxw n GLY 140 N 1.70 1.54 3.86 -1.23 0.00 0.65 -4.97 105.19 106.73 1qxw n GLY 140 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1qxw n GLY 140 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qxw s THR 141 N -2.38 4.64 0.15 2.61 -4.23 -0.87 -4.73 115.64 110.82 1qxw s THR 141 Ca 0.00 0.97 -0.30 0.00 -1.18 0.00 0.00 61.69 61.18 1qxw s THR 141 Cb 0.00 -3.74 -0.07 0.00 1.34 0.00 0.00 72.50 70.03 1qxw s THR 141 CO 0.00 -0.66 1.16 -0.54 -0.54 0.00 0.00 174.62 174.04 1qxw s LYS 142 N -4.06 4.51 0.41 3.99 1.02 -1.26 -0.15 119.74 124.19 1qxw s LYS 142 Ca 0.56 1.79 0.08 0.00 0.02 0.00 0.00 55.97 58.42 1qxw s LYS 142 Cb -0.10 -3.28 0.87 0.00 -0.52 0.00 0.00 37.83 34.80 1qxw s LYS 142 CO 0.33 -0.07 2.02 1.25 -0.92 0.00 0.00 175.35 177.96 1qxw h LEU 143 N 5.56 0.49 -1.86 3.17 5.85 -1.52 -1.45 115.31 125.55 1qxw h LEU 143 Ca -0.44 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1qxw h LEU 143 Cb 1.21 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1qxw h LEU 143 CO 0.75 0.34 0.00 0.77 -0.34 0.00 0.00 178.44 179.96 1qxw h SER 144 N 0.57 0.00 0.66 1.25 4.64 -1.87 -1.63 113.55 117.16 1qxw h SER 144 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1qxw h SER 144 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1qxw h SER 144 CO -0.05 0.00 0.00 0.78 -0.87 0.00 0.00 176.83 176.69 1qxw h ASN 145 N 0.00 0.00 0.22 4.97 2.35 -1.65 -1.01 115.58 120.45 1qxw h ASN 145 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1qxw h ASN 145 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1qxw h ASN 145 CO 0.00 0.00 -0.11 0.40 -1.65 0.00 0.00 177.43 176.07 1qxw h ILE 146 N 0.00 0.56 -0.89 2.81 2.04 -1.46 -2.68 117.51 117.90 1qxw h ILE 146 Ca 0.00 -0.99 0.04 0.00 1.00 0.00 0.00 64.86 64.91 1qxw h ILE 146 Cb 0.33 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 1qxw h ILE 146 CO 0.00 0.15 0.58 1.23 0.00 0.00 0.00 178.15 180.11 1qxw h GLY 147 N -0.95 1.27 0.83 5.37 0.00 -1.50 -0.89 103.07 107.20 1qxw h GLY 147 Ca -0.03 -0.43 0.03 0.00 0.00 0.00 0.00 47.33 46.90 1qxw h GLY 147 CO 0.05 0.37 0.32 1.70 0.00 0.00 0.00 176.54 178.98 1qxw h LYS 148 N 1.10 0.61 -0.39 4.80 3.64 -1.27 -0.72 116.57 124.34 1qxw h LYS 148 Ca 0.35 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.63 1qxw h LYS 148 Cb 0.04 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1qxw h LYS 148 CO -0.11 0.40 -0.02 0.00 -2.27 0.00 0.00 179.45 177.46 1qxw h ALA 149 N 1.26 0.53 -0.09 5.00 0.00 -0.99 -1.48 119.26 123.50 1qxw h ALA 149 Ca 0.23 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1qxw h ALA 149 Cb 0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1qxw h ALA 149 CO -0.11 0.32 0.05 0.28 0.00 0.00 0.00 179.25 179.79 1qxw h VAL 150 N 0.53 1.06 -0.38 0.00 2.07 -0.89 -1.13 116.25 117.50 1qxw h VAL 150 Ca 0.11 -0.17 -0.11 0.00 0.82 0.00 0.00 66.70 67.34 1qxw h VAL 150 Cb 0.50 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1qxw h VAL 150 CO 0.02 0.06 -0.22 -0.74 0.02 0.00 0.00 177.57 176.71 1qxw h HIS 151 N 0.07 0.86 -0.67 1.57 6.17 -1.08 -1.61 115.15 120.46 1qxw h HIS 151 Ca 0.03 -0.19 -0.03 0.00 0.71 0.00 0.00 60.37 60.89 1qxw h HIS 151 Cb 0.05 -0.21 -0.03 0.00 2.52 0.00 0.00 27.41 29.74 1qxw h HIS 151 CO -0.05 0.91 0.32 -0.97 0.71 0.00 0.00 177.93 178.84 1qxw h ASN 152 N 0.66 0.88 -0.61 3.26 -0.73 -1.14 -0.46 115.58 117.44 1qxw h ASN 152 Ca 0.09 -0.14 -0.00 0.00 1.87 0.00 0.00 56.30 58.12 1qxw h ASN 152 Cb 0.72 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 39.06 1qxw h ASN 152 CO 0.06 0.77 0.37 0.74 -0.37 0.00 0.00 177.43 178.99 1qxw h THR 153 N 0.93 1.18 -0.12 -3.57 2.02 -0.94 -0.08 112.91 112.33 1qxw h THR 153 Ca 0.23 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 1qxw h THR 153 Cb 0.13 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1qxw h THR 153 CO -0.03 0.19 0.07 0.00 0.37 0.00 0.00 175.52 176.12 1qxw h ALA 154 N 1.19 0.15 -0.74 6.16 0.00 -0.87 -2.84 119.26 122.31 1qxw h ALA 154 Ca 0.22 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1qxw h ALA 154 Cb -0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1qxw h ALA 154 CO -0.04 -0.34 0.42 -0.09 0.00 0.00 0.00 179.25 179.20 1qxw h ARG 155 N 0.13 1.01 0.00 0.00 9.65 -0.72 -0.57 114.38 123.88 1qxw h ARG 155 Ca 0.04 -0.10 -0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1qxw h ARG 155 Cb 0.03 -0.21 -0.00 0.00 -1.39 0.00 0.00 29.97 28.40 1qxw h ARG 155 CO -0.01 0.72 -0.00 1.96 2.80 0.00 0.00 179.97 185.44 1qxw h GLN 156 N 1.02 0.00 -0.06 0.20 4.20 -0.77 -2.33 115.11 117.37 1qxw h GLN 156 Ca 0.26 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 1qxw h GLN 156 Cb -0.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1qxw h GLN 156 CO -0.05 0.00 -0.09 0.09 -0.67 0.00 0.00 178.83 178.12 1qxw n ASN 157 N -3.20 2.48 -3.18 1.46 3.02 -0.58 -4.98 115.26 110.28 1qxw n ASN 157 Ca -0.03 -3.25 -0.23 0.00 -0.03 0.00 0.00 54.58 51.04 1qxw n ASN 157 Cb 0.10 -0.48 0.03 0.00 -0.61 0.00 0.00 39.78 38.82 1qxw n ASN 157 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1qxw n ASP 158 N -1.23 -5.50 -4.54 6.41 8.00 -0.88 -4.98 116.55 113.84 1qxw n ASP 158 Ca 0.18 -0.35 -0.28 0.00 0.71 0.00 0.00 54.79 55.06 1qxw n ASP 158 Cb 0.71 -4.45 -0.09 0.00 -0.02 0.00 0.00 41.12 37.27 1qxw n ASP 158 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qxw s LEU 159 N -6.71 2.38 0.42 0.64 1.43 -0.33 -5.01 118.68 111.51 1qxw s LEU 159 Ca 0.36 -1.52 0.06 0.00 -1.03 0.00 0.00 54.13 52.00 1qxw s LEU 159 Cb -0.17 -0.59 -0.07 0.00 0.03 0.00 0.00 46.19 45.39 1qxw s LEU 159 CO 0.45 -0.70 0.02 -0.54 0.23 0.00 0.00 176.35 175.80 1qxw s LYS 160 N -3.80 2.00 0.23 1.70 -0.14 -0.43 -3.86 119.74 115.45 1qxw s LYS 160 Ca 0.24 -2.12 0.10 0.00 -1.36 0.00 0.00 55.97 52.82 1qxw s LYS 160 Cb 0.06 -1.65 -0.04 0.00 -1.68 0.00 0.00 37.83 34.51 1qxw s LYS 160 CO 0.12 -0.09 -0.11 0.14 -0.76 0.00 0.00 175.35 174.65 1qxw s VAL 161 N -2.72 3.00 -0.46 3.17 -7.23 -1.26 -0.19 120.40 114.70 1qxw s VAL 161 Ca 0.32 -1.96 -0.24 0.00 -1.81 0.00 0.00 61.98 58.29 1qxw s VAL 161 Cb 0.09 -2.54 0.03 0.00 0.56 0.00 0.00 36.38 34.52 1qxw s VAL 161 CO 0.17 -0.26 0.84 -0.63 -0.31 0.00 0.00 175.10 174.91 1qxw s ILE 162 N -2.08 4.58 0.11 -0.62 -1.09 -1.05 -4.35 121.20 116.69 1qxw s ILE 162 Ca 0.28 0.53 0.15 0.00 -2.23 0.00 0.00 60.65 59.38 1qxw s ILE 162 Cb -0.07 -4.37 0.04 0.00 -1.58 0.00 0.00 42.46 36.49 1qxw s ILE 162 CO 0.16 -0.77 1.59 0.11 -1.23 0.00 0.00 174.94 174.80 1qxw h LYS 163 N 9.03 0.00 -0.63 2.79 1.57 -1.20 -3.28 116.57 124.84 1qxw h LYS 163 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1qxw h LYS 163 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1qxw h LYS 163 CO 0.99 0.53 0.00 0.27 -0.57 0.00 0.00 179.45 180.67 1qxw n ASN 164 N -3.49 5.23 -4.27 0.86 6.94 -1.26 -4.80 115.26 114.47 1qxw n ASN 164 Ca 0.00 -2.65 -0.29 0.00 -0.02 0.00 0.00 54.58 51.63 1qxw n ASN 164 Cb 0.63 -0.63 -0.15 0.00 -2.36 0.00 0.00 39.78 37.27 1qxw n ASN 164 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1qxw s LEU 165 N -2.23 2.07 0.19 -4.53 1.43 -1.24 -4.94 118.68 109.44 1qxw s LEU 165 Ca 0.53 -0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 53.15 1qxw s LEU 165 Cb 0.37 -1.18 -0.03 0.00 0.03 0.00 0.00 46.19 45.37 1qxw s LEU 165 CO 0.22 0.27 0.18 0.42 0.23 0.00 0.00 176.35 177.66 1qxw s THR 166 N -0.60 0.02 0.17 5.49 -4.23 -1.26 -4.55 115.64 110.68 1qxw s THR 166 Ca 0.09 -1.86 -0.02 0.00 -1.18 0.00 0.00 61.69 58.72 1qxw s THR 166 Cb -0.09 -2.33 0.04 0.00 1.34 0.00 0.00 72.50 71.46 1qxw s THR 166 CO -0.00 -0.11 0.24 0.61 -0.54 0.00 0.00 174.62 174.82 1qxw n GLY 167 N -0.25 -0.68 3.61 3.99 0.00 0.14 -4.81 105.19 107.19 1qxw n GLY 167 Ca -0.01 -1.76 -0.05 0.00 0.00 0.00 0.00 46.02 44.21 1qxw n GLY 167 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1qxw s HIS 168 N -1.25 -0.15 0.72 1.61 -3.43 -0.73 -1.56 115.29 110.51 1qxw s HIS 168 Ca 0.14 0.20 -0.16 0.00 -0.80 0.00 0.00 55.06 54.44 1qxw s HIS 168 Cb -0.00 0.49 0.03 0.00 -1.43 0.00 0.00 32.58 31.67 1qxw s HIS 168 CO 0.10 -0.17 1.23 0.20 -2.00 0.00 0.00 174.74 174.10 1qxw s GLY 169 N -1.48 2.47 0.15 -1.38 0.00 -0.23 -0.23 107.32 106.62 1qxw s GLY 169 Ca 0.07 0.98 -0.16 0.00 0.00 0.00 0.00 44.72 45.61 1qxw s GLY 169 CO -0.05 1.40 0.43 0.54 0.00 0.00 0.00 173.10 175.43 1qxw s VAL 170 N -1.83 0.06 0.00 1.40 0.11 -0.91 -2.03 120.40 117.20 1qxw s VAL 170 Ca 0.77 -0.64 0.00 0.00 -2.93 0.00 0.00 61.98 59.18 1qxw s VAL 170 Cb -0.32 -1.29 0.00 0.00 -1.53 0.00 0.00 36.38 33.24 1qxw s VAL 170 CO 0.44 -0.25 0.00 0.61 -3.33 0.00 0.00 175.10 172.57 1qxw n GLY 171 N -0.26 2.24 0.71 6.54 0.00 -1.26 -2.72 105.19 110.43 1qxw n GLY 171 Ca -0.14 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 45.71 1qxw n GLY 171 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qxw n LEU 172 N 0.00 2.45 -3.82 0.99 4.77 -1.26 -0.59 117.00 119.54 1qxw n LEU 172 Ca 0.00 -0.93 -0.04 0.00 -0.03 0.00 0.00 56.01 55.01 1qxw n LEU 172 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1qxw n LEU 172 CO 0.00 0.43 0.73 -0.94 -1.33 0.00 0.00 177.39 176.28 1qxw s SER 173 N -1.85 -0.07 0.21 -1.43 1.04 -1.26 -4.92 113.70 105.42 1qxw s SER 173 Ca 0.22 -0.64 0.26 0.00 0.48 0.00 0.00 55.95 56.26 1qxw s SER 173 Cb 0.17 0.55 0.79 0.00 0.10 0.00 0.00 66.02 67.63 1qxw s SER 173 CO 0.32 -1.07 1.76 0.18 0.98 0.00 0.00 173.24 175.41 1qxw n LEU 174 N -0.58 0.82 -3.52 2.42 4.77 -1.26 -4.56 117.00 115.08 1qxw n LEU 174 Ca -0.05 0.57 -0.14 0.00 -0.03 0.00 0.00 56.01 56.36 1qxw n LEU 174 Cb 0.60 -0.31 -0.12 0.00 -2.33 0.00 0.00 43.42 41.26 1qxw n LEU 174 CO 0.19 -0.18 -0.13 -2.28 -1.33 0.00 0.00 177.39 173.66 1qxw s HIS 175 N -3.10 -0.50 0.34 -1.77 2.46 -1.26 -4.76 115.29 106.71 1qxw s HIS 175 Ca 0.11 0.71 -0.04 0.00 0.47 0.00 0.00 55.06 56.30 1qxw s HIS 175 Cb 0.12 -0.11 0.01 0.00 -0.13 0.00 0.00 32.58 32.47 1qxw s HIS 175 CO 0.60 -0.54 0.51 -1.83 -2.47 0.00 0.00 174.74 171.00 1qxw s GLU 176 N 2.43 1.93 0.40 2.88 -1.05 -0.86 -4.99 118.70 119.44 1qxw s GLU 176 Ca 0.06 -1.71 -0.27 0.00 -0.15 0.00 0.00 54.97 52.91 1qxw s GLU 176 Cb -0.14 0.46 -0.09 0.00 -0.44 0.00 0.00 34.13 33.92 1qxw s GLU 176 CO -0.12 -0.81 1.36 0.00 0.95 0.00 0.00 175.26 176.64 1qxw s ALA 177 N -3.01 3.34 0.31 -0.84 0.00 -1.26 -1.64 121.76 118.65 1qxw s ALA 177 Ca 0.29 1.34 -0.28 0.00 0.00 0.00 0.00 51.96 53.30 1qxw s ALA 177 Cb -0.01 -3.53 -0.09 0.00 0.00 0.00 0.00 23.12 19.49 1qxw s ALA 177 CO 0.19 -0.91 1.12 -1.25 0.00 0.00 0.00 175.76 174.90 1qxw s PRO 178 N -2.20 4.50 0.27 0.00 0.05 -1.26 -4.14 135.00 132.22 1qxw s PRO 178 Ca 0.56 1.81 -0.02 0.00 0.05 0.00 0.00 61.00 63.40 1qxw s PRO 178 Cb -0.41 -3.05 0.43 0.00 0.05 0.00 0.00 34.50 31.52 1qxw s PRO 178 CO 0.53 0.09 1.88 0.00 0.05 0.00 0.00 177.00 179.55 1qxw h ALA 179 N 3.51 1.42 -3.41 8.56 0.00 -1.92 -0.60 119.26 126.82 1qxw h ALA 179 Ca -0.47 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.10 1qxw h ALA 179 Cb 1.22 -0.30 -0.36 0.00 0.00 0.00 0.00 17.79 18.35 1qxw h ALA 179 CO 0.66 0.42 -0.72 -1.01 0.00 0.00 0.00 179.25 178.60 1qxw s HIS 180 N -6.01 0.01 -0.47 0.00 3.76 -1.26 -4.58 115.29 106.74 1qxw s HIS 180 Ca -0.12 0.23 -0.10 0.00 -0.15 0.00 0.00 55.06 54.92 1qxw s HIS 180 Cb 0.20 -0.31 0.12 0.00 1.11 0.00 0.00 32.58 33.70 1qxw s HIS 180 CO 0.81 -0.14 0.35 0.08 -0.85 0.00 0.00 174.74 175.00 1qxw s VAL 181 N 1.51 4.29 0.72 -0.90 1.01 -0.60 -4.89 120.40 121.54 1qxw s VAL 181 Ca -0.04 -1.73 -0.11 0.00 0.00 0.00 0.00 61.98 60.10 1qxw s VAL 181 Cb -0.13 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.47 1qxw s VAL 181 CO -0.03 -0.76 1.07 -0.76 0.00 0.00 0.00 175.10 174.61 1qxw s LEU 182 N 1.39 3.10 -0.07 3.92 1.43 -1.26 -0.68 118.68 126.50 1qxw s LEU 182 Ca 0.05 1.68 0.15 0.00 -1.03 0.00 0.00 54.13 54.98 1qxw s LEU 182 Cb -0.26 -4.50 0.55 0.00 0.03 0.00 0.00 46.19 42.01 1qxw s LEU 182 CO -0.00 -1.63 1.44 0.59 0.23 0.00 0.00 176.35 176.97 1qxw n ASN 183 N -3.25 3.68 -3.95 2.29 3.02 -1.26 -3.26 115.26 112.53 1qxw n ASN 183 Ca 0.08 -2.29 -0.09 0.00 -0.03 0.00 0.00 54.58 52.26 1qxw n ASN 183 Cb 0.53 -0.49 -0.05 0.00 -0.61 0.00 0.00 39.78 39.17 1qxw n ASN 183 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1qxw s TYR 184 N -1.68 0.23 -0.21 3.10 -0.85 -1.20 -3.14 117.35 113.59 1qxw s TYR 184 Ca 0.40 -0.60 -0.24 0.00 -0.52 0.00 0.00 57.07 56.11 1qxw s TYR 184 Cb 0.25 0.28 -0.01 0.00 0.38 0.00 0.00 41.96 42.85 1qxw s TYR 184 CO 0.20 -1.01 0.78 0.12 -1.52 0.00 0.00 175.55 174.13 1qxw s PHE 185 N -3.98 3.35 -0.35 -3.49 5.99 -1.26 -4.24 117.98 114.00 1qxw s PHE 185 Ca 0.19 1.11 -0.07 0.00 0.00 0.00 0.00 56.93 58.16 1qxw s PHE 185 Cb -0.01 -2.98 0.04 0.00 0.00 0.00 0.00 43.02 40.07 1qxw s PHE 185 CO 0.07 -0.31 0.12 0.34 -0.00 0.00 0.00 175.22 175.44 1qxw s ASP 186 N 1.27 5.38 0.14 6.13 3.68 -1.26 -4.99 116.67 127.02 1qxw s ASP 186 Ca 0.34 -1.13 0.19 0.00 2.13 0.00 0.00 52.55 54.08 1qxw s ASP 186 Cb -0.16 -1.89 0.80 0.00 -1.45 0.00 0.00 42.92 40.22 1qxw s ASP 186 CO 0.09 -0.34 1.58 -0.81 0.13 0.00 0.00 175.17 175.82 1qxw n PRO 187 N 4.84 0.10 0.00 4.34 -0.04 -1.26 -2.47 135.00 140.51 1qxw n PRO 187 Ca -0.12 0.35 0.12 0.00 -0.04 0.00 0.00 63.50 63.81 1qxw n PRO 187 Cb 0.45 -1.70 0.19 0.00 -0.04 0.00 0.00 33.50 32.40 1qxw n PRO 187 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1qxw n LYS 188 N -1.89 0.29 -2.63 0.54 5.02 -1.26 -4.89 118.16 113.35 1qxw n LYS 188 Ca 0.03 -0.19 -0.43 0.00 -2.02 0.00 0.00 58.31 55.69 1qxw n LYS 188 Cb 0.19 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.68 1qxw n LYS 188 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1qxw s ASP 189 N -2.84 7.13 0.00 4.39 3.68 -1.03 -4.89 116.67 123.11 1qxw s ASP 189 Ca 0.14 1.49 0.17 0.00 2.13 0.00 0.00 52.55 56.48 1qxw s ASP 189 Cb 0.18 -2.55 0.12 0.00 -1.45 0.00 0.00 42.92 39.22 1qxw s ASP 189 CO 0.68 -0.60 1.01 0.29 0.13 0.00 0.00 175.17 176.68 1qxw n LYS 190 N 5.83 1.34 -1.67 4.34 5.02 -1.26 -4.81 118.16 126.95 1qxw n LYS 190 Ca 0.11 -1.43 -0.46 0.00 -2.02 0.00 0.00 58.31 54.51 1qxw n LYS 190 Cb 0.47 -1.31 -0.04 0.00 -0.02 0.00 0.00 35.03 34.13 1qxw n LYS 190 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1qxw n THR 191 N 0.85 0.17 -4.27 -0.18 -1.04 -1.26 -4.91 114.28 103.64 1qxw n THR 191 Ca 0.09 -0.04 -0.26 0.00 -2.04 0.00 0.00 64.05 61.81 1qxw n THR 191 Cb 0.41 -1.52 -0.08 0.00 -1.82 0.00 0.00 70.33 67.32 1qxw n THR 191 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1qxw s LEU 192 N 0.74 3.14 0.33 -4.42 1.43 -1.26 -1.32 118.68 117.32 1qxw s LEU 192 Ca 0.77 -0.54 -0.19 0.00 -1.03 0.00 0.00 54.13 53.14 1qxw s LEU 192 Cb -0.68 -1.77 -0.09 0.00 0.03 0.00 0.00 46.19 43.68 1qxw s LEU 192 CO 0.40 0.07 0.82 -0.76 0.23 0.00 0.00 176.35 177.11 1qxw s LEU 193 N -3.10 4.12 0.18 1.79 1.43 0.79 -4.81 118.68 119.08 1qxw s LEU 193 Ca 0.27 1.49 0.03 0.00 -1.03 0.00 0.00 54.13 54.90 1qxw s LEU 193 Cb -0.08 -4.10 -0.05 0.00 0.03 0.00 0.00 46.19 41.99 1qxw s LEU 193 CO 0.18 -0.18 -0.05 0.42 0.23 0.00 0.00 176.35 176.95 1qxw s THR 194 N -1.90 1.00 0.10 5.49 -4.23 -1.26 -0.25 115.64 114.58 1qxw s THR 194 Ca 0.54 -2.03 -0.32 0.00 -1.18 0.00 0.00 61.69 58.70 1qxw s THR 194 Cb -0.12 -2.07 -0.11 0.00 1.34 0.00 0.00 72.50 71.54 1qxw s THR 194 CO 0.18 -0.55 1.82 1.21 -0.54 0.00 0.00 174.62 176.73 1qxw n GLU 195 N -0.27 2.63 -0.25 3.99 4.07 -1.26 -1.66 120.64 127.87 1qxw n GLU 195 Ca -0.08 0.96 0.00 0.00 -0.06 0.00 0.00 57.16 57.98 1qxw n GLU 195 Cb 0.62 -2.83 0.00 0.00 -0.06 0.00 0.00 31.44 29.17 1qxw n GLU 195 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1qxw n GLY 196 N 4.16 0.95 3.74 8.31 0.00 0.79 -4.71 105.19 118.42 1qxw n GLY 196 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1qxw n GLY 196 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1qxw s MET 197 N -0.57 4.30 -0.21 1.61 -2.45 -0.67 -0.00 119.30 121.30 1qxw s MET 197 Ca 0.00 2.23 -0.04 0.00 -1.25 0.00 0.00 55.69 56.63 1qxw s MET 197 Cb 0.00 -3.14 -0.01 0.00 1.25 0.00 0.00 34.83 32.92 1qxw s MET 197 CO 0.00 -0.39 -0.03 0.08 1.05 0.00 0.00 175.02 175.73 1qxw s VAL 198 N 0.18 3.55 0.09 10.11 1.01 -0.54 -0.77 120.40 134.03 1qxw s VAL 198 Ca 0.60 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 62.22 1qxw s VAL 198 Cb -0.40 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1qxw s VAL 198 CO 0.40 0.42 -0.20 -0.76 0.00 0.00 0.00 175.10 174.96 1qxw s LEU 199 N 1.34 2.28 -0.34 3.92 1.43 0.32 -2.15 118.68 125.48 1qxw s LEU 199 Ca 0.04 -0.66 -0.12 0.00 -1.03 0.00 0.00 54.13 52.37 1qxw s LEU 199 Cb -0.14 -0.84 -0.00 0.00 0.03 0.00 0.00 46.19 45.23 1qxw s LEU 199 CO -0.01 0.05 0.21 0.00 0.23 0.00 0.00 176.35 176.83 1qxw s ALA 200 N -1.13 3.39 -0.27 4.21 0.00 0.68 0.09 121.76 128.73 1qxw s ALA 200 Ca 0.05 -1.46 -0.08 0.00 0.00 0.00 0.00 51.96 50.48 1qxw s ALA 200 Cb -0.10 -2.57 -0.01 0.00 0.00 0.00 0.00 23.12 20.43 1qxw s ALA 200 CO 0.04 -1.05 0.09 0.42 0.00 0.00 0.00 175.76 175.26 1qxw s ILE 201 N 1.66 4.25 -0.41 0.00 1.01 -0.85 -1.77 121.20 125.09 1qxw s ILE 201 Ca 0.05 -0.38 0.07 0.00 0.00 0.00 0.00 60.65 60.39 1qxw s ILE 201 Cb -0.18 -3.08 0.23 0.00 0.01 0.00 0.00 42.46 39.44 1qxw s ILE 201 CO 0.08 0.21 0.49 -1.84 0.00 0.00 0.00 174.94 173.89 1qxw n GLU 202 N 4.92 0.69 -1.73 2.79 0.28 -1.26 -2.24 120.64 124.10 1qxw n GLU 202 Ca -0.15 -3.30 -0.42 0.00 -0.16 0.00 0.00 57.16 53.13 1qxw n GLU 202 Cb 0.50 -1.38 -0.01 0.00 1.43 0.00 0.00 31.44 31.98 1qxw n GLU 202 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1qxw n PRO 203 N 1.71 2.39 -4.02 3.44 -0.04 -1.20 -4.68 135.00 132.60 1qxw n PRO 203 Ca 0.23 0.84 -0.34 0.00 -0.04 0.00 0.00 63.50 64.20 1qxw n PRO 203 Cb 0.51 -2.52 -0.15 0.00 -0.04 0.00 0.00 33.50 31.30 1qxw n PRO 203 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1qxw s PHE 204 N -0.71 2.92 -0.16 0.54 0.40 -1.26 -2.72 117.98 116.99 1qxw s PHE 204 Ca 0.59 -1.44 -0.02 0.00 -0.60 0.00 0.00 56.93 55.46 1qxw s PHE 204 Cb -0.54 -2.01 -0.02 0.00 0.51 0.00 0.00 43.02 40.96 1qxw s PHE 204 CO 0.58 -0.71 -0.08 0.42 0.70 0.00 0.00 175.22 176.12 1qxw s ILE 205 N 1.35 3.37 0.03 0.64 -1.09 -0.03 -2.53 121.20 122.95 1qxw s ILE 205 Ca 0.04 -0.53 0.07 0.00 -2.23 0.00 0.00 60.65 58.00 1qxw s ILE 205 Cb -0.14 -2.47 -0.03 0.00 -1.58 0.00 0.00 42.46 38.23 1qxw s ILE 205 CO -0.08 0.49 -0.20 -0.55 -1.23 0.00 0.00 174.94 173.37 1qxw s SER 206 N 0.68 3.65 0.48 3.58 0.15 0.73 -1.08 113.70 121.89 1qxw s SER 206 Ca -0.04 -0.44 0.31 0.00 0.70 0.00 0.00 55.95 56.48 1qxw s SER 206 Cb -0.15 -0.55 1.23 0.00 -1.71 0.00 0.00 66.02 64.84 1qxw s SER 206 CO 0.02 0.27 1.91 0.77 1.20 0.00 0.00 173.24 177.41 1qxw h SER 207 N 4.70 0.00 0.00 5.45 4.64 -1.35 -1.12 113.55 125.87 1qxw h SER 207 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1qxw h SER 207 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1qxw h SER 207 CO 0.47 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 173.23 1qxw n ASN 208 N -2.91 -3.36 -4.69 4.97 5.15 -1.26 -4.79 115.26 108.36 1qxw n ASN 208 Ca 0.01 0.73 -0.43 0.00 -0.60 0.00 0.00 54.58 54.30 1qxw n ASN 208 Cb 0.31 3.22 -0.01 0.00 -0.53 0.00 0.00 39.78 42.76 1qxw n ASN 208 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1qxw n ALA 209 N -3.25 1.29 0.41 5.20 0.00 -1.26 -4.82 120.51 118.07 1qxw n ALA 209 Ca 0.00 0.37 0.11 0.00 0.00 0.00 0.00 53.44 53.91 1qxw n ALA 209 Cb 0.00 -2.26 0.17 0.00 0.00 0.00 0.00 19.45 17.36 1qxw n ALA 209 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1qxw n SER 210 N 1.00 3.16 -3.57 0.00 3.41 -1.26 -4.61 113.62 111.74 1qxw n SER 210 Ca 0.06 -1.93 -0.11 0.00 -0.26 0.00 0.00 58.87 56.63 1qxw n SER 210 Cb 0.35 -0.17 -0.03 0.00 -0.26 0.00 0.00 64.21 64.10 1qxw n SER 210 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1qxw s PHE 211 N -1.47 -0.33 0.24 7.33 -0.71 -1.26 -0.57 117.98 121.21 1qxw s PHE 211 Ca 0.32 0.05 0.09 0.00 -1.04 0.00 0.00 56.93 56.35 1qxw s PHE 211 Cb 0.20 0.44 -0.04 0.00 -1.21 0.00 0.00 43.02 42.41 1qxw s PHE 211 CO 0.28 -0.84 0.02 0.14 -1.34 0.00 0.00 175.22 173.47 1qxw s VAL 212 N -3.80 3.60 0.35 -2.49 -7.23 -1.26 -4.81 120.40 104.76 1qxw s VAL 212 Ca 0.04 -1.75 0.03 0.00 -1.81 0.00 0.00 61.98 58.49 1qxw s VAL 212 Cb -0.00 -2.90 -0.05 0.00 0.56 0.00 0.00 36.38 33.99 1qxw s VAL 212 CO -0.09 -0.31 0.08 0.42 -0.31 0.00 0.00 175.10 174.89 1qxw s THR 213 N -2.16 0.92 0.25 5.32 -4.23 0.07 -4.94 115.64 110.88 1qxw s THR 213 Ca 0.30 -2.00 -0.31 0.00 -1.18 0.00 0.00 61.69 58.50 1qxw s THR 213 Cb -0.07 -2.61 -0.12 0.00 1.34 0.00 0.00 72.50 71.04 1qxw s THR 213 CO 0.20 0.00 1.57 1.21 -0.54 0.00 0.00 174.62 177.06 1qxw n GLU 214 N -0.76 2.51 0.00 3.99 2.13 -1.26 -1.28 120.64 125.97 1qxw n GLU 214 Ca -0.04 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.68 1qxw n GLU 214 Cb 0.66 -2.66 0.00 0.00 0.27 0.00 0.00 31.44 29.71 1qxw n GLU 214 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qxw n GLY 215 N 2.61 1.69 0.00 8.31 0.00 0.18 -4.68 105.19 113.29 1qxw n GLY 215 Ca 0.11 -1.78 0.08 0.00 0.00 0.00 0.00 46.02 44.43 1qxw n GLY 215 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1qxw n LYS 216 N 0.00 0.07 -3.46 1.61 2.85 -1.26 -4.79 118.16 113.18 1qxw n LYS 216 Ca 0.00 0.20 -0.11 0.00 -1.05 0.00 0.00 58.31 57.35 1qxw n LYS 216 Cb 0.00 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 32.86 1qxw n LYS 216 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1qxw n ASN 217 N -1.43 -1.18 0.00 -5.58 0.23 -1.26 -5.04 115.26 100.99 1qxw n ASN 217 Ca 0.05 -2.49 0.11 0.00 -0.53 0.00 0.00 54.58 51.72 1qxw n ASN 217 Cb 0.16 2.16 0.58 0.00 -2.08 0.00 0.00 39.78 40.61 1qxw n ASN 217 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1qxw n GLU 218 N -0.46 0.41 -0.06 -3.83 0.00 -1.26 -3.94 120.64 111.50 1qxw n GLU 218 Ca -0.00 0.06 -0.13 0.00 0.00 0.00 0.00 57.16 57.09 1qxw n GLU 218 Cb 0.47 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.37 1qxw n GLU 218 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 1qxw n TRP 219 N -1.21 0.00 -1.95 -1.84 7.02 -1.26 -5.02 117.44 113.17 1qxw n TRP 219 Ca 0.12 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.19 1qxw n TRP 219 Cb 0.15 -0.46 -0.02 0.00 -2.42 0.00 0.00 31.31 28.57 1qxw n TRP 219 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1qxw s ALA 220 N -2.31 3.60 -0.17 6.99 0.00 -1.22 -4.72 121.76 123.93 1qxw s ALA 220 Ca -0.19 1.41 -0.08 0.00 0.00 0.00 0.00 51.96 53.10 1qxw s ALA 220 Cb 0.06 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 1qxw s ALA 220 CO 0.25 -0.83 0.10 -0.06 0.00 0.00 0.00 175.76 175.21 1qxw s PHE 221 N -0.57 3.37 0.36 0.00 0.08 -0.32 -0.65 117.98 120.25 1qxw s PHE 221 Ca 0.56 0.26 0.06 0.00 0.12 0.00 0.00 56.93 57.93 1qxw s PHE 221 Cb -0.43 -2.05 -0.02 0.00 -0.57 0.00 0.00 43.02 39.94 1qxw s PHE 221 CO 0.51 0.35 0.22 0.39 -0.10 0.00 0.00 175.22 176.59 1qxw n GLU 222 N 3.08 0.48 -4.98 0.44 1.02 -0.40 -0.76 120.64 119.51 1qxw n GLU 222 Ca -0.17 -3.32 -0.27 0.00 -0.02 0.00 0.00 57.16 53.38 1qxw n GLU 222 Cb 0.53 2.31 -0.15 0.00 -0.02 0.00 0.00 31.44 34.10 1qxw n GLU 222 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1qxw s THR 223 N -3.21 1.63 0.23 2.62 -4.23 -1.22 -0.75 115.64 110.71 1qxw s THR 223 Ca 0.31 -0.90 0.20 0.00 -1.18 0.00 0.00 61.69 60.11 1qxw s THR 223 Cb 0.01 -1.36 0.16 0.00 1.34 0.00 0.00 72.50 72.66 1qxw s THR 223 CO 0.22 0.44 1.80 0.28 -0.54 0.00 0.00 174.62 176.82 1qxw h SER 224 N 5.58 0.00 -0.22 3.99 0.02 -1.93 -2.53 113.55 118.46 1qxw h SER 224 Ca -0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1qxw h SER 224 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 1qxw h SER 224 CO 0.48 0.33 0.00 -0.90 -1.14 0.00 0.00 176.83 175.60 1qxw n ASP 225 N -3.61 1.53 -3.85 3.07 5.68 -1.26 -4.93 116.55 113.18 1qxw n ASP 225 Ca -0.01 -1.81 -0.28 0.00 -0.50 0.00 0.00 54.79 52.19 1qxw n ASP 225 Cb 0.45 -0.14 0.03 0.00 -1.14 0.00 0.00 41.12 40.32 1qxw n ASP 225 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1qxw n LYS 226 N 0.27 -5.64 -1.12 0.11 4.01 -0.95 -4.95 118.16 109.88 1qxw n LYS 226 Ca 0.13 0.62 -0.34 0.00 -0.51 0.00 0.00 58.31 58.22 1qxw n LYS 226 Cb 0.28 -5.47 0.13 0.00 -0.51 0.00 0.00 35.03 29.45 1qxw n LYS 226 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1qxw s SER 227 N -3.50 3.59 -0.22 4.39 0.01 -1.26 -4.91 113.70 111.79 1qxw s SER 227 Ca 0.54 2.39 -0.17 0.00 1.31 0.00 0.00 55.95 60.02 1qxw s SER 227 Cb -0.27 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.34 1qxw s SER 227 CO 0.82 -2.67 0.45 -0.36 0.41 0.00 0.00 173.24 171.89 1qxw s PHE 228 N -2.11 3.33 -0.03 2.43 0.08 -1.26 -4.79 117.98 115.62 1qxw s PHE 228 Ca 0.74 0.63 0.04 0.00 0.12 0.00 0.00 56.93 58.46 1qxw s PHE 228 Cb -0.29 -2.61 -0.01 0.00 -0.57 0.00 0.00 43.02 39.54 1qxw s PHE 228 CO 0.50 -0.13 -0.16 0.08 -0.10 0.00 0.00 175.22 175.42 1qxw s VAL 229 N 1.74 1.28 0.06 -0.44 1.01 -1.26 -0.97 120.40 121.81 1qxw s VAL 229 Ca 0.20 -0.65 0.09 0.00 0.00 0.00 0.00 61.98 61.61 1qxw s VAL 229 Cb -0.15 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1qxw s VAL 229 CO 0.09 0.37 -0.24 0.00 0.00 0.00 0.00 175.10 175.32 1qxw s ALA 230 N -0.07 2.05 0.01 5.51 0.00 -0.24 -4.95 121.76 124.08 1qxw s ALA 230 Ca -0.01 -1.21 0.05 0.00 0.00 0.00 0.00 51.96 50.80 1qxw s ALA 230 Cb -0.09 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 1qxw s ALA 230 CO 0.01 0.47 -0.16 -1.14 0.00 0.00 0.00 175.76 174.94 1qxw s GLN 231 N -1.33 1.21 -0.11 0.00 0.74 -1.26 -0.85 119.66 118.07 1qxw s GLN 231 Ca 0.10 -0.69 -0.01 0.00 0.05 0.00 0.00 55.36 54.82 1qxw s GLN 231 Cb -0.10 -1.22 0.03 0.00 1.10 0.00 0.00 33.01 32.82 1qxw s GLN 231 CO 0.02 0.32 -0.06 0.42 -0.55 0.00 0.00 175.29 175.45 1qxw s ILE 232 N -0.58 0.90 -0.02 -2.34 -1.09 -1.10 -1.98 121.20 114.98 1qxw s ILE 232 Ca 0.05 -0.23 0.05 0.00 -2.23 0.00 0.00 60.65 58.29 1qxw s ILE 232 Cb -0.07 -0.96 -0.01 0.00 -1.58 0.00 0.00 42.46 39.84 1qxw s ILE 232 CO 0.00 0.32 -0.18 -0.70 -1.23 0.00 0.00 174.94 173.16 1qxw s GLU 233 N 1.76 1.57 0.04 2.79 2.12 -0.25 -3.22 118.70 123.50 1qxw s GLU 233 Ca 0.05 -0.64 -0.01 0.00 0.36 0.00 0.00 54.97 54.73 1qxw s GLU 233 Cb -0.13 -1.46 -0.03 0.00 0.26 0.00 0.00 34.13 32.77 1qxw s GLU 233 CO -0.08 0.35 -0.02 -1.01 -0.54 0.00 0.00 175.26 173.96 1qxw s HIS 234 N -0.28 0.43 -0.21 5.30 3.76 -0.95 -1.64 115.29 121.69 1qxw s HIS 234 Ca 0.04 -0.89 -0.14 0.00 -0.15 0.00 0.00 55.06 53.91 1qxw s HIS 234 Cb -0.08 -0.32 -0.04 0.00 1.11 0.00 0.00 32.58 33.24 1qxw s HIS 234 CO 0.00 -0.33 0.33 0.99 -0.85 0.00 0.00 174.74 174.88 1qxw s THR 235 N -3.18 5.25 -0.05 1.30 2.01 -1.16 -2.01 115.64 117.79 1qxw s THR 235 Ca 0.00 0.55 0.04 0.00 0.31 0.00 0.00 61.69 62.59 1qxw s THR 235 Cb 0.03 -3.66 -0.00 0.00 0.01 0.00 0.00 72.50 68.88 1qxw s THR 235 CO -0.07 0.28 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.28 1qxw s VAL 236 N 1.22 1.44 -0.19 3.82 1.01 0.11 -1.37 120.40 126.44 1qxw s VAL 236 Ca 0.16 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 1qxw s VAL 236 Cb -0.14 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 1qxw s VAL 236 CO 0.07 0.42 0.03 -0.63 0.00 0.00 0.00 175.10 174.99 1qxw s ILE 237 N 0.17 4.38 -0.25 2.22 1.01 0.57 -0.52 121.20 128.78 1qxw s ILE 237 Ca -0.07 -0.17 -0.27 0.00 0.00 0.00 0.00 60.65 60.14 1qxw s ILE 237 Cb -0.13 -2.98 0.00 0.00 0.01 0.00 0.00 42.46 39.37 1qxw s ILE 237 CO 0.03 0.43 0.94 -0.69 0.00 0.00 0.00 174.94 175.66 1qxw s VAL 238 N 0.73 4.73 0.16 2.92 1.01 0.05 -1.09 120.40 128.91 1qxw s VAL 238 Ca 0.02 1.74 0.02 0.00 0.00 0.00 0.00 61.98 63.76 1qxw s VAL 238 Cb -0.14 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.96 1qxw s VAL 238 CO 0.02 -0.18 -0.02 0.42 0.00 0.00 0.00 175.10 175.33 1qxw s THR 239 N 3.10 0.75 0.41 3.92 -4.23 -1.24 -0.15 115.64 118.20 1qxw s THR 239 Ca 0.40 -1.98 0.08 0.00 -1.18 0.00 0.00 61.69 59.01 1qxw s THR 239 Cb -0.15 -2.01 0.28 0.00 1.34 0.00 0.00 72.50 71.97 1qxw s THR 239 CO 0.08 -0.58 2.04 0.07 -0.54 0.00 0.00 174.62 175.69 1qxw h LYS 240 N 2.75 0.52 -0.13 3.99 2.10 -1.97 -2.10 116.57 121.73 1qxw h LYS 240 Ca -0.36 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1qxw h LYS 240 Cb 1.20 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 1qxw h LYS 240 CO 0.63 0.34 0.00 -0.25 -2.00 0.00 0.00 179.45 178.18 1qxw n ASP 241 N -4.47 1.56 0.00 7.07 10.43 -1.26 -4.97 116.55 124.91 1qxw n ASP 241 Ca 0.05 -1.66 0.00 0.00 2.57 0.00 0.00 54.79 55.75 1qxw n ASP 241 Cb 0.13 -0.08 0.00 0.00 1.84 0.00 0.00 41.12 43.01 1qxw n ASP 241 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1qxw n GLY 242 N 1.12 3.03 3.77 0.44 0.00 -0.79 -5.07 105.19 107.69 1qxw n GLY 242 Ca 0.17 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 1qxw n GLY 242 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qxw s PRO 243 N -2.57 4.33 -0.24 1.61 0.04 -1.26 -3.59 135.00 133.32 1qxw s PRO 243 Ca 0.00 2.22 -0.06 0.00 0.04 0.00 0.00 61.00 63.19 1qxw s PRO 243 Cb 0.00 -3.05 -0.02 0.00 0.04 0.00 0.00 34.50 31.46 1qxw s PRO 243 CO 0.00 -0.21 0.04 0.42 0.04 0.00 0.00 177.00 177.29 1qxw s ILE 244 N -1.15 4.09 -0.46 0.56 1.01 -0.25 -4.93 121.20 120.08 1qxw s ILE 244 Ca 0.49 -0.25 -0.18 0.00 0.00 0.00 0.00 60.65 60.71 1qxw s ILE 244 Cb -0.40 -2.90 0.04 0.00 0.01 0.00 0.00 42.46 39.21 1qxw s ILE 244 CO 0.53 0.37 0.53 -0.76 0.00 0.00 0.00 174.94 175.60 1qxw s LEU 245 N 1.50 4.91 0.53 2.97 1.02 -1.26 -0.31 118.68 128.03 1qxw s LEU 245 Ca 0.06 -0.76 0.31 0.00 0.02 0.00 0.00 54.13 53.76 1qxw s LEU 245 Cb -0.15 -2.44 1.31 0.00 0.02 0.00 0.00 46.19 44.93 1qxw s LEU 245 CO 0.02 -0.72 1.97 0.71 0.02 0.00 0.00 176.35 178.35 1qxw h THR 246 N 5.80 0.19 -0.42 5.49 1.35 -1.57 -3.11 112.91 120.64 1qxw h THR 246 Ca -0.27 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 1qxw h THR 246 Cb 1.10 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 1qxw h THR 246 CO 0.87 0.07 0.00 0.35 -0.25 0.00 0.00 175.52 176.56 1qxw n THR 249 N -3.21 2.17 -4.44 6.82 -2.24 -1.26 -2.71 114.28 109.41 1qxw n THR 249 Ca 0.00 -1.53 -0.34 0.00 -2.27 0.00 0.00 64.05 59.91 1qxw n THR 249 Cb 0.32 -0.10 -0.13 0.00 -2.10 0.00 0.00 70.33 68.32 1qxw n THR 249 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1qxw s LYS 250 N -2.41 3.51 0.00 -0.78 2.20 -1.18 -4.60 119.74 116.48 1qxw s LYS 250 Ca 0.45 -0.60 0.22 0.00 -0.36 0.00 0.00 55.97 55.68 1qxw s LYS 250 Cb 0.33 -2.83 0.18 0.00 -1.51 0.00 0.00 37.83 34.00 1qxw s LYS 250 CO 0.14 0.14 1.21 -0.89 -0.36 0.00 0.00 175.35 175.59