#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qxy s ILE 2 N 0.00 4.91 -0.03 3.17 -1.09 -1.26 -0.86 121.20 126.04 1qxy s ILE 2 Ca 0.00 -0.06 -0.30 0.00 -2.23 0.00 0.00 60.65 58.06 1qxy s ILE 2 Cb 0.00 -3.37 -0.05 0.00 -1.58 0.00 0.00 42.46 37.46 1qxy s ILE 2 CO 0.00 0.22 1.33 -0.69 -1.23 0.00 0.00 174.94 174.57 1qxy s VAL 3 N 1.69 3.93 0.00 2.92 1.01 0.62 -4.87 120.40 125.70 1qxy s VAL 3 Ca 0.06 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.33 1qxy s VAL 3 Cb -0.16 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1qxy s VAL 3 CO 0.08 -0.01 0.00 0.29 0.00 0.00 0.00 175.10 175.46 1qxy n LYS 4 N 5.38 1.36 -4.26 2.72 4.76 -1.26 -4.60 118.16 122.25 1qxy n LYS 4 Ca 0.12 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.40 1qxy n LYS 4 Cb 0.45 -0.89 -0.10 0.00 -1.84 0.00 0.00 35.03 32.64 1qxy n LYS 4 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1qxy s THR 5 N -1.72 1.30 0.36 -0.18 -4.23 -1.26 -5.03 115.64 104.87 1qxy s THR 5 Ca 0.00 -1.94 0.06 0.00 -1.18 0.00 0.00 61.69 58.63 1qxy s THR 5 Cb 0.00 -1.74 0.17 0.00 1.34 0.00 0.00 72.50 72.27 1qxy s THR 5 CO 0.00 -0.60 1.90 -0.08 -0.54 0.00 0.00 174.62 175.30 1qxy h GLU 6 N 3.04 0.43 -0.48 3.99 4.57 -1.99 -1.95 114.58 122.19 1qxy h GLU 6 Ca -0.38 -0.09 -0.10 0.00 -1.18 0.00 0.00 59.36 57.62 1qxy h GLU 6 Cb 1.20 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.70 1qxy h GLU 6 CO 0.58 0.48 -0.08 0.93 -1.18 0.00 0.00 179.01 179.73 1qxy h GLU 7 N 0.42 0.87 -0.25 1.92 3.07 -1.99 0.02 114.58 118.64 1qxy h GLU 7 Ca 0.09 -0.29 -0.03 0.00 -0.50 0.00 0.00 59.36 58.64 1qxy h GLU 7 Cb 0.31 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 1qxy h GLU 7 CO 0.01 0.92 0.05 0.93 -1.40 0.00 0.00 179.01 179.52 1qxy h GLU 8 N 0.79 0.41 -0.32 2.33 5.08 -1.88 -1.36 114.58 119.63 1qxy h GLU 8 Ca 0.13 -0.10 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 1qxy h GLU 8 Cb 0.59 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 1qxy h GLU 8 CO 0.04 0.52 0.00 1.25 -1.00 0.00 0.00 179.01 179.82 1qxy h LEU 9 N 0.23 -0.12 -0.73 1.33 5.85 -1.03 -0.67 115.31 120.17 1qxy h LEU 9 Ca 0.08 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1qxy h LEU 9 Cb 0.30 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 1qxy h LEU 9 CO 0.00 -0.02 0.44 1.56 -0.34 0.00 0.00 178.44 180.08 1qxy h GLN 10 N 0.10 0.99 -0.79 1.25 4.20 -0.92 -0.30 115.11 119.64 1qxy h GLN 10 Ca 0.15 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 1qxy h GLN 10 Cb 0.20 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1qxy h GLN 10 CO -0.25 0.70 0.35 0.00 -0.67 0.00 0.00 178.83 178.96 1qxy h ALA 11 N 1.23 1.02 -0.58 3.87 0.00 -0.74 -0.28 119.26 123.78 1qxy h ALA 11 Ca 0.26 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1qxy h ALA 11 Cb -0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1qxy h ALA 11 CO -0.05 0.61 -0.06 -0.07 0.00 0.00 0.00 179.25 179.68 1qxy h LEU 12 N 1.12 1.05 -0.97 0.00 3.38 -0.81 -2.43 115.31 116.65 1qxy h LEU 12 Ca 0.27 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1qxy h LEU 12 Cb 0.17 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1qxy h LEU 12 CO -0.03 1.13 0.12 0.11 0.09 0.00 0.00 178.44 179.86 1qxy h LYS 13 N 0.94 0.87 0.02 1.13 1.57 -0.73 -1.02 116.57 119.35 1qxy h LYS 13 Ca 0.16 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1qxy h LYS 13 Cb 0.63 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1qxy h LYS 13 CO 0.04 0.79 -0.01 1.49 -0.57 0.00 0.00 179.45 181.19 1qxy h GLU 14 N 0.83 -0.03 -0.19 3.15 4.57 -0.86 -0.83 114.58 121.22 1qxy h GLU 14 Ca 0.18 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.25 1qxy h GLU 14 Cb 0.32 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 1qxy h GLU 14 CO 0.00 0.22 -0.35 0.97 -1.18 0.00 0.00 179.01 178.67 1qxy h ILE 15 N -0.28 1.29 -0.62 2.32 6.09 -1.42 -1.87 117.51 123.03 1qxy h ILE 15 Ca -0.00 -1.43 -0.02 0.00 -1.37 0.00 0.00 64.86 62.04 1qxy h ILE 15 Cb 0.27 1.52 -0.03 0.00 0.47 0.00 0.00 36.82 39.05 1qxy h ILE 15 CO 0.01 0.44 0.31 1.23 -3.07 0.00 0.00 178.15 177.07 1qxy h GLY 16 N 1.10 0.94 0.81 8.18 0.00 -1.10 -1.04 103.07 111.96 1qxy h GLY 16 Ca 0.04 -0.45 0.03 0.00 0.00 0.00 0.00 47.33 46.95 1qxy h GLY 16 CO 0.06 0.43 0.15 -1.82 0.00 0.00 0.00 176.54 175.36 1qxy h TYR 17 N 0.84 0.28 -0.47 5.60 5.03 -0.83 -0.46 116.97 126.96 1qxy h TYR 17 Ca 0.21 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.54 1qxy h TYR 17 Cb 0.09 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.27 1qxy h TYR 17 CO -0.00 0.15 0.31 0.82 -1.32 0.00 0.00 178.16 178.11 1qxy h ILE 18 N 0.32 1.13 -0.66 1.81 2.04 -1.05 0.44 117.51 121.53 1qxy h ILE 18 Ca 0.14 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.70 1qxy h ILE 18 Cb 0.07 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 1qxy h ILE 18 CO -0.11 0.12 0.17 0.00 0.00 0.00 0.00 178.15 178.33 1qxy h ALA 20 N 1.18 0.82 -0.42 0.00 0.00 -0.62 0.26 119.26 120.49 1qxy h ALA 20 Ca 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1qxy h ALA 20 Cb 0.34 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1qxy h ALA 20 CO -0.00 0.36 0.21 -0.22 0.00 0.00 0.00 179.25 179.60 1qxy h LYS 21 N 0.87 0.59 -0.02 0.00 1.63 -0.61 0.20 116.57 119.23 1qxy h LYS 21 Ca 0.22 -0.08 -0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1qxy h LYS 21 Cb 0.08 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 31.60 1qxy h LYS 21 CO -0.03 0.50 0.01 0.28 -3.45 0.00 0.00 179.45 176.76 1qxy h VAL 22 N 0.53 1.08 -0.35 2.00 2.07 -1.02 -0.96 116.25 119.60 1qxy h VAL 22 Ca 0.14 -0.22 0.07 0.00 0.82 0.00 0.00 66.70 67.51 1qxy h VAL 22 Cb 0.09 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 1qxy h VAL 22 CO -0.02 0.06 -0.02 -0.09 0.02 0.00 0.00 177.57 177.52 1qxy h ARG 23 N -0.05 0.07 -0.64 1.57 2.43 -0.71 -0.09 114.38 116.95 1qxy h ARG 23 Ca 0.01 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 1qxy h ARG 23 Cb 0.09 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 1qxy h ARG 23 CO -0.00 0.05 0.13 -0.91 -1.51 0.00 0.00 179.97 177.73 1qxy h ASN 24 N 0.07 1.00 -0.46 -3.80 2.35 -0.84 -0.60 115.58 113.30 1qxy h ASN 24 Ca 0.17 -0.25 -0.08 0.00 -0.55 0.00 0.00 56.30 55.60 1qxy h ASN 24 Cb 0.24 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1qxy h ASN 24 CO -0.31 0.99 -0.01 0.74 -1.65 0.00 0.00 177.43 177.19 1qxy h THR 25 N 0.97 1.26 -0.16 2.81 2.02 -0.73 -1.07 112.91 118.01 1qxy h THR 25 Ca 0.20 -1.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 1qxy h THR 25 Cb 0.40 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1qxy h THR 25 CO 0.01 0.37 0.06 0.24 0.37 0.00 0.00 175.52 176.57 1qxy h MET 26 N 0.67 0.25 -0.39 6.66 2.86 -0.90 -2.21 114.93 121.87 1qxy h MET 26 Ca 0.13 -0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.75 1qxy h MET 26 Cb 0.52 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 1qxy h MET 26 CO 0.03 0.35 0.20 0.37 1.06 0.00 0.00 176.91 178.91 1qxy h GLN 27 N 0.10 0.39 -0.09 1.72 4.15 -0.98 -2.13 115.11 118.26 1qxy h GLN 27 Ca 0.05 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 1qxy h GLN 27 Cb 0.20 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 1qxy h GLN 27 CO -0.00 0.26 0.03 0.00 -1.93 0.00 0.00 178.83 177.19 1qxy h ALA 28 N 1.20 1.89 -0.00 3.38 0.00 -1.04 -1.78 119.26 122.91 1qxy h ALA 28 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1qxy h ALA 28 Cb 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1qxy h ALA 28 CO -0.11 0.09 -0.14 0.00 0.00 0.00 0.00 179.25 179.09 1qxy n ALA 29 N -2.52 2.81 -2.59 0.00 0.00 -0.84 -4.82 120.51 112.54 1qxy n ALA 29 Ca -0.02 -0.26 -0.43 0.00 0.00 0.00 0.00 53.44 52.73 1qxy n ALA 29 Cb 0.11 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 1qxy n ALA 29 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1qxy s THR 30 N -2.58 4.40 0.06 0.00 2.01 -0.67 -4.92 115.64 113.94 1qxy s THR 30 Ca 0.25 1.07 -0.09 0.00 0.31 0.00 0.00 61.69 63.22 1qxy s THR 30 Cb 0.20 -4.48 0.00 0.00 0.01 0.00 0.00 72.50 68.23 1qxy s THR 30 CO 0.50 -0.82 0.20 -1.59 -0.69 0.00 0.00 174.62 172.22 1qxy s LYS 31 N 3.95 0.78 0.26 4.92 -2.85 -1.26 -4.94 119.74 120.59 1qxy s LYS 31 Ca 0.42 -0.78 -0.30 0.00 -1.00 0.00 0.00 55.97 54.30 1qxy s LYS 31 Cb -0.09 0.32 -0.14 0.00 -2.06 0.00 0.00 37.83 35.86 1qxy s LYS 31 CO 0.26 -0.24 1.30 -2.30 0.10 0.00 0.00 175.35 174.47 1qxy n PRO 32 N 0.31 1.85 0.00 1.78 -0.02 -1.26 -2.39 135.00 135.26 1qxy n PRO 32 Ca -0.17 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1qxy n PRO 32 Cb 0.61 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1qxy n PRO 32 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qxy n GLY 33 N 1.74 1.68 3.83 -1.23 0.00 -0.08 -4.99 105.19 106.14 1qxy n GLY 33 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1qxy n GLY 33 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1qxy s ILE 34 N -2.41 4.64 0.37 -0.61 2.07 -1.01 -4.82 121.20 119.43 1qxy s ILE 34 Ca 0.00 1.14 -0.05 0.00 -1.41 0.00 0.00 60.65 60.33 1qxy s ILE 34 Cb 0.00 -3.78 -0.04 0.00 0.13 0.00 0.00 42.46 38.76 1qxy s ILE 34 CO 0.00 0.12 0.65 0.42 -1.91 0.00 0.00 174.94 174.22 1qxy s THR 35 N -1.62 4.97 0.39 4.00 -4.23 -1.26 -0.44 115.64 117.46 1qxy s THR 35 Ca 0.45 0.07 0.11 0.00 -1.18 0.00 0.00 61.69 61.14 1qxy s THR 35 Cb -0.15 -3.80 0.14 0.00 1.34 0.00 0.00 72.50 70.03 1qxy s THR 35 CO 0.20 -0.55 1.90 0.71 -0.54 0.00 0.00 174.62 176.34 1qxy h THR 36 N 0.86 1.19 -0.70 3.99 1.35 -1.21 -1.99 112.91 116.40 1qxy h THR 36 Ca -0.48 -0.90 -0.06 0.00 -0.55 0.00 0.00 66.41 64.42 1qxy h THR 36 Cb 1.20 1.39 -0.03 0.00 -1.73 0.00 0.00 68.15 68.98 1qxy h THR 36 CO 0.63 0.27 0.20 0.50 -0.25 0.00 0.00 175.52 176.87 1qxy h LYS 37 N 0.10 1.10 -0.85 4.72 1.63 -1.33 -0.95 116.57 121.00 1qxy h LYS 37 Ca 0.02 -0.25 -0.02 0.00 -0.85 0.00 0.00 60.65 59.55 1qxy h LYS 37 Cb 0.46 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 31.89 1qxy h LYS 37 CO 0.03 0.96 0.44 0.93 -3.45 0.00 0.00 179.45 178.36 1qxy h GLU 38 N 1.04 1.19 -0.67 1.90 5.08 -1.69 -0.23 114.58 121.21 1qxy h GLU 38 Ca 0.22 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1qxy h GLU 38 Cb 0.33 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1qxy h GLU 38 CO -0.00 0.89 0.28 -0.07 -1.00 0.00 0.00 179.01 179.11 1qxy h LEU 39 N 1.19 0.90 -1.43 1.33 3.38 -1.04 -2.74 115.31 116.91 1qxy h LEU 39 Ca 0.30 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1qxy h LEU 39 Cb 0.06 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1qxy h LEU 39 CO -0.04 0.81 0.17 -0.78 0.09 0.00 0.00 178.44 178.69 1qxy h ASP 40 N 0.93 0.50 0.18 -0.43 3.58 -0.41 -1.59 116.42 119.18 1qxy h ASP 40 Ca 0.22 -0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.60 1qxy h ASP 40 Cb 0.18 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 1qxy h ASP 40 CO -0.02 0.45 -0.14 0.78 -2.88 0.00 0.00 179.24 177.43 1qxy h ASN 41 N 0.56 0.00 -0.27 2.28 -0.26 -0.76 -1.48 115.58 115.65 1qxy h ASN 41 Ca 0.14 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.88 1qxy h ASN 41 Cb 0.10 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.34 1qxy h ASN 41 CO -0.02 0.14 0.16 0.40 -1.06 0.00 0.00 177.43 177.05 1qxy h ILE 42 N 0.00 1.10 -0.65 2.81 2.04 -1.19 -2.03 117.51 119.58 1qxy h ILE 42 Ca -0.00 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1qxy h ILE 42 Cb 0.26 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1qxy h ILE 42 CO 0.02 0.10 0.41 0.00 0.00 0.00 0.00 178.15 178.67 1qxy h ALA 43 N 1.06 0.83 -0.34 1.87 0.00 -1.33 -1.20 119.26 120.15 1qxy h ALA 43 Ca 0.10 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1qxy h ALA 43 Cb 0.01 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.47 1qxy h ALA 43 CO -0.02 0.29 -0.09 -0.22 0.00 0.00 0.00 179.25 179.20 1qxy h LYS 44 N 0.88 -0.01 -0.42 0.00 3.64 -1.00 0.12 116.57 119.78 1qxy h LYS 44 Ca 0.24 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.53 1qxy h LYS 44 Cb -0.05 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1qxy h LYS 44 CO -0.05 -0.01 -0.06 0.93 -2.27 0.00 0.00 179.45 177.99 1qxy h GLU 45 N -0.01 0.79 -0.33 1.90 4.39 -1.10 -2.29 114.58 117.91 1qxy h GLU 45 Ca 0.17 -0.28 -0.15 0.00 0.34 0.00 0.00 59.36 59.43 1qxy h GLU 45 Cb 0.27 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1qxy h GLU 45 CO -0.36 0.89 -0.38 -0.07 -1.16 0.00 0.00 179.01 177.93 1qxy h LEU 46 N 0.61 0.91 -0.75 1.33 3.38 -0.98 -1.01 115.31 118.81 1qxy h LEU 46 Ca 0.11 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.65 1qxy h LEU 46 Cb 0.57 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 1qxy h LEU 46 CO 0.03 1.21 0.45 -0.26 0.09 0.00 0.00 178.44 179.97 1qxy h PHE 47 N 0.63 0.84 -0.40 1.13 0.05 -0.71 -0.98 116.94 117.51 1qxy h PHE 47 Ca 0.05 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.84 1qxy h PHE 47 Cb 0.98 -0.27 -0.02 0.00 2.00 0.00 0.00 35.95 38.64 1qxy h PHE 47 CO 0.07 0.44 0.18 1.49 -0.18 0.00 0.00 178.31 180.32 1qxy h GLU 48 N 0.85 0.58 -0.92 1.51 4.81 -1.19 -0.18 114.58 120.04 1qxy h GLU 48 Ca 0.32 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.49 1qxy h GLU 48 Cb 0.12 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 1qxy h GLU 48 CO -0.15 0.52 0.61 1.49 -0.73 0.00 0.00 179.01 180.74 1qxy h GLU 49 N 0.50 1.15 -0.18 1.92 4.81 -0.68 -2.76 114.58 119.35 1qxy h GLU 49 Ca 0.14 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1qxy h GLU 49 Cb 0.14 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1qxy h GLU 49 CO -0.02 0.76 0.00 0.66 -0.73 0.00 0.00 179.01 179.69 1qxy n TYR 50 N -4.43 0.22 -2.10 0.92 4.01 -0.42 -4.96 117.16 110.41 1qxy n TYR 50 Ca 0.12 -0.11 -0.08 0.00 -0.16 0.00 0.00 57.90 57.67 1qxy n TYR 50 Cb 0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.10 1qxy n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qxy n GLY 51 N 1.33 0.10 3.77 2.72 0.00 -0.49 -5.03 105.19 107.59 1qxy n GLY 51 Ca 0.17 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 1qxy n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qxy s ALA 52 N -2.38 3.64 -0.00 4.61 0.00 -0.20 -4.75 121.76 122.68 1qxy s ALA 52 Ca 0.00 -1.86 0.05 0.00 0.00 0.00 0.00 51.96 50.15 1qxy s ALA 52 Cb 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 1qxy s ALA 52 CO 0.00 -0.04 -0.16 0.42 0.00 0.00 0.00 175.76 175.98 1qxy s ILE 53 N -2.44 1.27 0.10 0.00 -1.09 -0.25 -4.31 121.20 114.48 1qxy s ILE 53 Ca 0.40 -0.77 -0.33 0.00 -2.23 0.00 0.00 60.65 57.73 1qxy s ILE 53 Cb -0.02 -1.07 -0.12 0.00 -1.58 0.00 0.00 42.46 39.66 1qxy s ILE 53 CO 0.24 0.30 1.75 -0.24 -1.23 0.00 0.00 174.94 175.76 1qxy n SER 54 N 2.51 3.60 -0.11 3.58 2.88 -1.26 -1.07 113.62 123.75 1qxy n SER 54 Ca -0.15 1.02 -0.13 0.00 -1.33 0.00 0.00 58.87 58.28 1qxy n SER 54 Cb 0.54 -1.47 -0.03 0.00 -0.75 0.00 0.00 64.21 62.50 1qxy n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qxy h ALA 55 N 7.67 0.50 -0.53 -1.46 0.00 -1.45 -1.20 119.26 122.78 1qxy h ALA 55 Ca -0.46 -0.44 0.05 0.00 0.00 0.00 0.00 54.91 54.05 1qxy h ALA 55 Cb 1.24 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 1qxy h ALA 55 CO 0.93 0.58 0.27 -1.35 0.00 0.00 0.00 179.25 179.69 1qxy h PRO 56 N 0.63 0.52 -0.12 0.00 0.11 -1.79 0.21 132.00 131.55 1qxy h PRO 56 Ca 0.05 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 1qxy h PRO 56 Cb 0.96 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 1qxy h PRO 56 CO 0.09 0.34 0.02 0.82 -0.21 0.00 0.00 178.00 179.06 1qxy h ILE 57 N 0.53 1.21 0.22 4.15 2.04 -1.70 -1.42 117.51 122.54 1qxy h ILE 57 Ca 0.23 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 1qxy h ILE 57 Cb 0.14 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1qxy h ILE 57 CO -0.16 0.19 -0.11 -0.74 0.00 0.00 0.00 178.15 177.34 1qxy h HIS 58 N -0.02 -0.27 0.16 1.37 2.76 -0.92 -1.63 115.15 116.59 1qxy h HIS 58 Ca 0.04 -0.01 -0.30 0.00 -2.20 0.00 0.00 60.37 57.90 1qxy h HIS 58 Cb 0.28 0.09 0.02 0.00 1.55 0.00 0.00 27.41 29.35 1qxy h HIS 58 CO 0.01 0.08 -1.31 -0.44 -1.30 0.00 0.00 177.93 174.97 1qxy h ASP 59 N -0.68 0.71 -0.00 3.26 3.45 -0.72 -3.40 116.42 119.04 1qxy h ASP 59 Ca -0.03 -0.71 0.00 0.00 0.43 0.00 0.00 57.03 56.72 1qxy h ASP 59 Cb 0.47 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 39.02 1qxy h ASP 59 CO 0.05 1.54 -0.03 -0.62 -1.57 0.00 0.00 179.24 178.61 1qxy n GLU 60 N -3.68 2.38 -3.58 3.56 -0.58 -0.65 -4.99 120.64 113.09 1qxy n GLU 60 Ca -0.13 -0.34 -0.27 0.00 -0.42 0.00 0.00 57.16 56.00 1qxy n GLU 60 Cb 1.03 -0.84 0.02 0.00 -0.57 0.00 0.00 31.44 31.08 1qxy n GLU 60 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1qxy n ASN 61 N -0.39 -4.80 -4.74 1.62 5.15 -0.61 -4.95 115.26 106.54 1qxy n ASN 61 Ca 0.01 -0.57 -0.41 0.00 -0.60 0.00 0.00 54.58 53.01 1qxy n ASN 61 Cb 0.04 -3.87 -0.03 0.00 -0.53 0.00 0.00 39.78 35.39 1qxy n ASN 61 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1qxy s PHE 62 N -3.17 3.32 -1.45 1.20 5.36 -0.63 -4.92 117.98 117.70 1qxy s PHE 62 Ca 0.52 1.33 -0.12 0.00 -0.96 0.00 0.00 56.93 57.70 1qxy s PHE 62 Cb -0.26 -3.53 0.04 0.00 -0.34 0.00 0.00 43.02 38.94 1qxy s PHE 62 CO 0.64 -1.56 2.30 -0.35 -1.46 0.00 0.00 175.22 174.79 1qxy n PRO 63 N 2.43 3.18 0.00 10.12 -0.04 -1.26 -4.16 135.00 145.27 1qxy n PRO 63 Ca 0.05 -2.72 0.00 0.00 -0.04 0.00 0.00 63.50 60.79 1qxy n PRO 63 Cb 0.44 -3.13 0.00 0.00 -0.04 0.00 0.00 33.50 30.77 1qxy n PRO 63 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qxy n GLY 64 N 3.71 1.89 0.31 0.55 0.00 -1.26 -4.57 105.19 105.82 1qxy n GLY 64 Ca 0.55 -0.30 -0.07 0.00 0.00 0.00 0.00 46.02 46.21 1qxy n GLY 64 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1qxy h GLN 65 N 0.00 1.08 -5.06 1.61 1.08 -1.86 -3.36 115.11 108.60 1qxy h GLN 65 Ca 0.00 -0.21 -0.42 0.00 -1.45 0.00 0.00 58.65 56.57 1qxy h GLN 65 Cb 0.00 -0.17 -0.14 0.00 -0.05 0.00 0.00 27.48 27.12 1qxy h GLN 65 CO 0.00 0.91 -0.61 0.95 -0.95 0.00 0.00 178.83 179.13 1qxy s THR 66 N -5.50 0.86 -0.20 -0.54 -4.23 -1.26 -4.51 115.64 100.26 1qxy s THR 66 Ca -0.12 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.32 1qxy s THR 66 Cb 0.15 -2.70 -0.03 0.00 1.34 0.00 0.00 72.50 71.25 1qxy s THR 66 CO 0.83 0.00 0.05 0.00 -0.54 0.00 0.00 174.62 174.96 1qxy s ILE 68 N 0.80 1.02 -0.11 0.00 1.01 -0.53 -1.37 121.20 122.02 1qxy s ILE 68 Ca 0.03 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.20 1qxy s ILE 68 Cb -0.14 -1.18 0.01 0.00 0.01 0.00 0.00 42.46 41.16 1qxy s ILE 68 CO 0.02 0.17 -0.19 -0.44 0.00 0.00 0.00 174.94 174.50 1qxy s SER 69 N 1.68 2.72 -0.07 3.58 0.01 -0.25 -3.92 113.70 117.45 1qxy s SER 69 Ca 0.02 -0.50 0.04 0.00 1.31 0.00 0.00 55.95 56.82 1qxy s SER 69 Cb -0.15 -1.24 0.00 0.00 0.21 0.00 0.00 66.02 64.84 1qxy s SER 69 CO -0.08 0.08 -0.20 -0.69 0.41 0.00 0.00 173.24 172.75 1qxy s VAL 70 N 0.72 1.75 0.00 3.43 1.01 -1.23 -0.52 120.40 125.56 1qxy s VAL 70 Ca -0.11 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1qxy s VAL 70 Cb -0.16 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1qxy s VAL 70 CO 0.02 0.49 0.00 0.59 0.00 0.00 0.00 175.10 176.20 1qxy n ASN 71 N 3.42 0.00 0.24 3.32 3.02 0.09 -1.24 115.26 124.10 1qxy n ASN 71 Ca -0.19 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.44 1qxy n ASN 71 Cb 0.53 0.00 0.61 0.00 -0.61 0.00 0.00 39.78 40.30 1qxy n ASN 71 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1qxy h GLU 72 N 0.00 0.00 -6.34 3.52 9.09 -1.90 -3.42 114.58 115.52 1qxy h GLU 72 Ca 0.00 0.00 -0.54 0.00 0.05 0.00 0.00 59.36 58.87 1qxy h GLU 72 Cb 0.00 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.07 1qxy h GLU 72 CO 0.00 0.15 0.26 -1.21 0.05 0.00 0.00 179.01 178.26 1qxy s GLU 73 N -4.49 4.55 -0.25 1.06 2.02 -0.37 -2.79 118.70 118.42 1qxy s GLU 73 Ca -0.04 1.23 0.05 0.00 0.02 0.00 0.00 54.97 56.23 1qxy s GLU 73 Cb 0.15 -3.42 -0.18 0.00 0.10 0.00 0.00 34.13 30.78 1qxy s GLU 73 CO 0.65 0.11 -0.18 0.28 0.02 0.00 0.00 175.26 176.14 1qxy n VAL 74 N 3.37 1.47 -3.52 2.63 0.31 0.24 -3.49 118.33 119.34 1qxy n VAL 74 Ca 0.02 -0.62 -0.13 0.00 -0.01 0.00 0.00 64.34 63.60 1qxy n VAL 74 Cb 0.50 -1.26 -0.04 0.00 -0.91 0.00 0.00 33.84 32.13 1qxy n VAL 74 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qxy s ALA 75 N -2.51 -1.39 -1.66 3.52 0.00 -1.18 -4.89 121.76 113.65 1qxy s ALA 75 Ca -0.31 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.14 1qxy s ALA 75 Cb 0.08 0.61 0.00 0.00 0.00 0.00 0.00 23.12 23.82 1qxy s ALA 75 CO 0.64 -0.62 0.00 0.72 0.00 0.00 0.00 175.76 176.49 1qxy n HIS 76 N 0.02 -0.36 -2.13 0.00 8.25 -1.26 -0.93 115.22 118.80 1qxy n HIS 76 Ca -0.17 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 56.89 1qxy n HIS 76 Cb 0.63 -3.17 -0.01 0.00 1.12 0.00 0.00 29.99 28.56 1qxy n HIS 76 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1qxy s GLY 77 N -2.55 2.92 -0.27 -1.41 0.00 -1.25 -3.52 107.32 101.23 1qxy s GLY 77 Ca 0.00 1.16 -0.18 0.00 0.00 0.00 0.00 44.72 45.69 1qxy s GLY 77 CO 0.00 1.73 0.53 -0.42 0.00 0.00 0.00 173.10 174.94 1qxy s ILE 78 N -1.29 5.05 0.33 0.90 1.01 -1.25 -1.46 121.20 124.49 1qxy s ILE 78 Ca 0.56 0.89 -0.29 0.00 0.00 0.00 0.00 60.65 61.81 1qxy s ILE 78 Cb -0.36 -3.85 -0.12 0.00 0.01 0.00 0.00 42.46 38.14 1qxy s ILE 78 CO 0.46 0.06 1.47 -2.65 0.00 0.00 0.00 174.94 174.28 1qxy n PRO 79 N 5.58 2.51 -1.16 2.79 -0.02 -1.26 -4.90 135.00 138.54 1qxy n PRO 79 Ca -0.04 0.88 -0.00 0.00 -2.02 0.00 0.00 63.50 62.32 1qxy n PRO 79 Cb 0.50 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1qxy n PRO 79 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1qxy n SER 80 N 1.15 -0.12 0.00 2.55 3.41 -1.26 -4.64 113.62 114.71 1qxy n SER 80 Ca 0.05 -1.08 0.09 0.00 -0.26 0.00 0.00 58.87 57.66 1qxy n SER 80 Cb 0.37 0.19 0.48 0.00 -0.26 0.00 0.00 64.21 64.99 1qxy n SER 80 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1qxy n LYS 81 N -0.03 0.43 -1.67 4.33 5.02 -1.26 -1.01 118.16 123.97 1qxy n LYS 81 Ca -0.00 0.05 -0.46 0.00 -2.02 0.00 0.00 58.31 55.88 1qxy n LYS 81 Cb 0.03 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.50 1qxy n LYS 81 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1qxy n ARG 82 N -1.11 2.13 -3.60 1.97 0.63 -1.26 -4.79 116.66 110.63 1qxy n ARG 82 Ca 0.11 0.77 -0.37 0.00 -0.92 0.00 0.00 57.85 57.43 1qxy n ARG 82 Cb 0.09 -2.53 -0.06 0.00 0.45 0.00 0.00 32.46 30.41 1qxy n ARG 82 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1qxy s VAL 83 N 0.83 5.22 0.35 5.15 0.11 -1.26 -1.45 120.40 129.35 1qxy s VAL 83 Ca 0.78 0.62 -0.27 0.00 -2.93 0.00 0.00 61.98 60.18 1qxy s VAL 83 Cb -0.68 -3.62 -0.09 0.00 -1.53 0.00 0.00 36.38 30.46 1qxy s VAL 83 CO 0.39 0.54 1.16 -0.63 -3.33 0.00 0.00 175.10 173.22 1qxy s ILE 84 N -0.66 3.24 0.18 7.04 -1.09 0.42 -4.91 121.20 125.43 1qxy s ILE 84 Ca 0.20 1.13 0.08 0.00 -2.23 0.00 0.00 60.65 59.83 1qxy s ILE 84 Cb -0.15 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.02 1qxy s ILE 84 CO 0.09 0.18 -0.16 -0.13 -1.23 0.00 0.00 174.94 173.69 1qxy s ARG 85 N -1.97 1.28 0.15 2.79 0.52 -1.26 -0.90 118.95 119.56 1qxy s ARG 85 Ca 0.52 -1.50 -0.34 0.00 -0.52 0.00 0.00 55.73 53.89 1qxy s ARG 85 Cb -0.32 -1.18 -0.15 0.00 0.52 0.00 0.00 34.95 33.83 1qxy s ARG 85 CO 0.40 0.21 1.49 -1.91 0.02 0.00 0.00 175.30 175.52 1qxy n GLU 86 N -0.07 1.86 -0.45 3.54 4.07 -1.26 -1.56 120.64 126.77 1qxy n GLU 86 Ca -0.10 0.67 0.00 0.00 -0.06 0.00 0.00 57.16 57.66 1qxy n GLU 86 Cb 0.59 -2.39 0.00 0.00 -0.06 0.00 0.00 31.44 29.58 1qxy n GLU 86 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1qxy n GLY 87 N 3.01 0.89 3.76 8.31 0.00 0.92 -4.88 105.19 117.20 1qxy n GLY 87 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1qxy n GLY 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qxy s ASP 88 N -3.01 5.90 -0.39 1.61 1.01 -0.60 -4.57 116.67 116.62 1qxy s ASP 88 Ca 0.00 2.75 -0.14 0.00 0.71 0.00 0.00 52.55 55.87 1qxy s ASP 88 Cb 0.00 -2.64 0.02 0.00 1.01 0.00 0.00 42.92 41.30 1qxy s ASP 88 CO 0.00 -1.14 0.27 -0.22 0.21 0.00 0.00 175.17 174.29 1qxy s LEU 89 N -2.83 4.94 -0.09 1.23 2.96 -1.26 -0.64 118.68 122.98 1qxy s LEU 89 Ca 0.62 -0.84 0.03 0.00 -0.22 0.00 0.00 54.13 53.72 1qxy s LEU 89 Cb -0.40 -2.13 -0.01 0.00 0.50 0.00 0.00 46.19 44.14 1qxy s LEU 89 CO 0.50 -0.40 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.26 1qxy s VAL 90 N 1.66 2.70 -0.16 1.68 1.01 -0.37 -0.74 120.40 126.19 1qxy s VAL 90 Ca 0.05 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 1qxy s VAL 90 Cb -0.19 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.10 1qxy s VAL 90 CO 0.09 0.56 -0.04 0.21 0.00 0.00 0.00 175.10 175.92 1qxy s ASN 91 N -0.05 4.68 -0.18 3.32 3.84 0.33 -1.13 114.94 125.75 1qxy s ASN 91 Ca -0.04 -0.17 -0.01 0.00 0.21 0.00 0.00 52.86 52.85 1qxy s ASN 91 Cb -0.14 -1.76 0.00 0.00 -0.55 0.00 0.00 41.25 38.80 1qxy s ASN 91 CO 0.04 0.15 -0.14 -0.63 -2.79 0.00 0.00 177.10 173.73 1qxy s ILE 92 N 0.49 2.64 -0.24 -5.21 1.01 -0.36 -1.09 121.20 118.44 1qxy s ILE 92 Ca -0.04 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.87 1qxy s ILE 92 Cb -0.14 -2.14 0.06 0.00 0.01 0.00 0.00 42.46 40.24 1qxy s ILE 92 CO 0.03 0.50 -0.09 -0.62 0.00 0.00 0.00 174.94 174.76 1qxy s ASP 93 N 1.14 3.96 -0.22 3.58 3.68 -0.47 -1.31 116.67 127.03 1qxy s ASP 93 Ca 0.01 -1.19 -0.04 0.00 2.13 0.00 0.00 52.55 53.46 1qxy s ASP 93 Cb -0.14 -1.32 -0.01 0.00 -1.45 0.00 0.00 42.92 40.00 1qxy s ASP 93 CO -0.05 -0.20 -0.05 -0.69 0.13 0.00 0.00 175.17 174.31 1qxy s VAL 94 N 1.29 3.33 0.00 1.11 1.01 0.67 -2.24 120.40 125.58 1qxy s VAL 94 Ca -0.06 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1qxy s VAL 94 Cb -0.19 -2.51 -0.00 0.00 0.00 0.00 0.00 36.38 33.68 1qxy s VAL 94 CO -0.06 0.43 -0.02 -0.94 0.00 0.00 0.00 175.10 174.51 1qxy s SER 95 N 1.43 0.18 0.22 3.32 1.04 -1.26 -1.20 113.70 117.42 1qxy s SER 95 Ca 0.05 -0.11 -0.23 0.00 0.48 0.00 0.00 55.95 56.15 1qxy s SER 95 Cb -0.14 0.00 0.04 0.00 0.10 0.00 0.00 66.02 66.02 1qxy s SER 95 CO -0.03 -0.04 0.74 0.00 0.98 0.00 0.00 173.24 174.89 1qxy s ALA 96 N -0.28 -1.41 0.08 5.32 0.00 -0.81 -1.29 121.76 123.37 1qxy s ALA 96 Ca -0.02 0.01 0.06 0.00 0.00 0.00 0.00 51.96 52.00 1qxy s ALA 96 Cb -0.02 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 23.87 1qxy s ALA 96 CO -0.00 -0.96 -0.15 -0.48 0.00 0.00 0.00 175.76 174.16 1qxy s LEU 97 N -2.86 2.29 -0.16 0.00 2.34 -0.23 -1.87 118.68 118.19 1qxy s LEU 97 Ca 0.09 -0.65 -0.09 0.00 0.06 0.00 0.00 54.13 53.55 1qxy s LEU 97 Cb -0.04 -0.59 0.06 0.00 -0.56 0.00 0.00 46.19 45.06 1qxy s LEU 97 CO 0.01 -0.06 0.38 -0.75 -1.06 0.00 0.00 176.35 174.87 1qxy s LYS 98 N -1.85 0.36 -1.41 1.48 2.20 -0.23 -1.09 119.74 119.20 1qxy s LYS 98 Ca 0.00 0.74 -0.04 0.00 -0.36 0.00 0.00 55.97 56.32 1qxy s LYS 98 Cb -0.10 -0.04 0.02 0.00 -1.51 0.00 0.00 37.83 36.20 1qxy s LYS 98 CO 0.03 -0.16 0.33 0.09 -0.36 0.00 0.00 175.35 175.27 1qxy n ASN 99 N 4.25 -4.98 0.00 1.43 3.02 -1.26 -1.82 115.26 115.89 1qxy n ASN 99 Ca -0.24 -0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.16 1qxy n ASN 99 Cb 0.55 -4.11 0.00 0.00 -0.61 0.00 0.00 39.78 35.61 1qxy n ASN 99 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qxy n GLY 100 N -1.18 1.33 3.50 7.41 0.00 -1.26 -5.04 105.19 109.95 1qxy n GLY 100 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 1qxy n GLY 100 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qxy s TYR 101 N -2.90 2.61 0.19 1.61 1.51 -0.76 -4.51 117.35 115.11 1qxy s TYR 101 Ca 0.00 -0.22 0.10 0.00 -1.01 0.00 0.00 57.07 55.94 1qxy s TYR 101 Cb 0.00 -1.43 -0.04 0.00 -0.11 0.00 0.00 41.96 40.38 1qxy s TYR 101 CO 0.00 0.34 -0.17 0.71 -1.11 0.00 0.00 175.55 175.32 1qxy s TYR 102 N -1.06 2.46 0.07 2.71 2.02 -0.07 -1.07 117.35 122.41 1qxy s TYR 102 Ca 0.17 -0.29 -0.00 0.00 -0.37 0.00 0.00 57.07 56.57 1qxy s TYR 102 Cb -0.11 -1.20 -0.04 0.00 -0.40 0.00 0.00 41.96 40.21 1qxy s TYR 102 CO 0.09 0.52 -0.03 0.00 -1.57 0.00 0.00 175.55 174.55 1qxy s ALA 103 N -1.73 0.64 -0.18 3.71 0.00 -0.78 -4.53 121.76 118.89 1qxy s ALA 103 Ca 0.23 -1.26 -0.07 0.00 0.00 0.00 0.00 51.96 50.86 1qxy s ALA 103 Cb -0.08 0.30 0.08 0.00 0.00 0.00 0.00 23.12 23.42 1qxy s ALA 103 CO 0.13 -0.35 0.39 0.34 0.00 0.00 0.00 175.76 176.26 1qxy s ASP 104 N -2.96 -0.26 0.07 0.00 2.15 -1.26 -1.92 116.67 112.50 1qxy s ASP 104 Ca 0.10 0.89 -0.14 0.00 0.43 0.00 0.00 52.55 53.82 1qxy s ASP 104 Cb 0.07 1.04 0.02 0.00 -0.30 0.00 0.00 42.92 43.76 1qxy s ASP 104 CO -0.08 -0.22 0.33 0.28 -0.17 0.00 0.00 175.17 175.32 1qxy s THR 105 N 2.15 0.08 0.09 1.71 -1.32 -0.34 -2.82 115.64 115.19 1qxy s THR 105 Ca -0.04 -0.69 -0.25 0.00 -1.21 0.00 0.00 61.69 59.49 1qxy s THR 105 Cb -0.11 -1.07 0.07 0.00 -1.51 0.00 0.00 72.50 69.88 1qxy s THR 105 CO -0.12 -0.38 0.65 -0.83 -2.21 0.00 0.00 174.62 171.73 1qxy s GLY 106 N -2.40 -0.59 -0.15 6.08 0.00 -0.90 -0.24 107.32 109.12 1qxy s GLY 106 Ca -0.01 0.76 -0.14 0.00 0.00 0.00 0.00 44.72 45.33 1qxy s GLY 106 CO -0.07 0.37 0.40 -1.50 0.00 0.00 0.00 173.10 172.31 1qxy s ILE 107 N -3.07 -0.00 -0.07 0.90 2.07 -0.43 -1.30 121.20 119.31 1qxy s ILE 107 Ca -0.01 0.01 -0.01 0.00 -1.41 0.00 0.00 60.65 59.22 1qxy s ILE 107 Cb -0.01 -0.57 -0.03 0.00 0.13 0.00 0.00 42.46 41.98 1qxy s ILE 107 CO -0.07 0.00 0.01 -0.44 -1.91 0.00 0.00 174.94 172.53 1qxy s SER 108 N 0.28 5.29 0.18 4.50 0.01 -0.56 -1.23 113.70 122.18 1qxy s SER 108 Ca -0.01 0.14 -0.17 0.00 1.31 0.00 0.00 55.95 57.22 1qxy s SER 108 Cb -0.03 -1.49 0.03 0.00 0.21 0.00 0.00 66.02 64.74 1qxy s SER 108 CO -0.00 0.36 0.49 0.72 0.41 0.00 0.00 173.24 175.22 1qxy s PHE 109 N -0.94 -0.11 -0.17 2.43 -0.71 -0.29 -4.87 117.98 113.33 1qxy s PHE 109 Ca 0.15 -0.23 -0.09 0.00 -1.04 0.00 0.00 56.93 55.72 1qxy s PHE 109 Cb -0.11 0.35 -0.05 0.00 -1.21 0.00 0.00 43.02 42.00 1qxy s PHE 109 CO 0.04 -0.87 0.13 0.08 -1.34 0.00 0.00 175.22 173.25 1qxy s VAL 110 N -3.87 5.37 -0.35 -2.49 1.01 -1.26 -1.23 120.40 117.58 1qxy s VAL 110 Ca 0.09 0.17 -0.26 0.00 0.00 0.00 0.00 61.98 61.97 1qxy s VAL 110 Cb -0.00 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 32.98 1qxy s VAL 110 CO -0.04 0.50 0.95 -0.69 0.00 0.00 0.00 175.10 175.82 1qxy s VAL 111 N -0.13 4.58 0.00 2.92 1.01 0.19 -4.88 120.40 124.09 1qxy s VAL 111 Ca 0.10 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.38 1qxy s VAL 111 Cb -0.11 -4.34 0.00 0.00 0.00 0.00 0.00 36.38 31.93 1qxy s VAL 111 CO 0.00 -0.50 0.00 0.61 0.00 0.00 0.00 175.10 175.21 1qxy n GLY 112 N 4.27 3.17 3.20 4.51 0.00 -1.26 -0.06 105.19 119.01 1qxy n GLY 112 Ca 0.08 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 1qxy n GLY 112 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qxy s GLU 113 N 0.00 2.18 0.25 1.61 2.02 -1.26 -4.79 118.70 118.70 1qxy s GLU 113 Ca 0.00 -0.75 0.01 0.00 0.02 0.00 0.00 54.97 54.25 1qxy s GLU 113 Cb 0.00 -1.86 -0.04 0.00 0.10 0.00 0.00 34.13 32.34 1qxy s GLU 113 CO 0.00 0.31 0.42 0.45 0.02 0.00 0.00 175.26 176.46 1qxy s SER 114 N -0.04 6.34 0.00 -0.19 0.15 -1.26 -3.12 113.70 115.58 1qxy s SER 114 Ca -0.04 0.32 0.21 0.00 0.70 0.00 0.00 55.95 57.14 1qxy s SER 114 Cb -0.13 -1.97 0.93 0.00 -1.71 0.00 0.00 66.02 63.14 1qxy s SER 114 CO 0.03 -0.11 1.67 -0.90 1.20 0.00 0.00 173.24 175.13 1qxy n ASP 115 N -1.13 0.00 -4.13 5.45 3.85 -1.26 -4.63 116.55 114.70 1qxy n ASP 115 Ca -0.06 0.38 -0.33 0.00 -0.71 0.00 0.00 54.79 54.07 1qxy n ASP 115 Cb 0.55 -0.45 -0.15 0.00 -1.35 0.00 0.00 41.12 39.72 1qxy n ASP 115 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1qxy s ASP 116 N -2.90 4.35 0.16 -1.12 -1.08 -1.26 -4.98 116.67 109.84 1qxy s ASP 116 Ca 0.12 -1.14 0.13 0.00 -0.52 0.00 0.00 52.55 51.15 1qxy s ASP 116 Cb 0.14 -1.61 0.67 0.00 -1.46 0.00 0.00 42.92 40.66 1qxy s ASP 116 CO 0.37 -0.17 1.41 -0.81 0.52 0.00 0.00 175.17 176.49 1qxy n PRO 117 N 4.56 0.08 0.23 4.34 -0.04 -1.26 -2.54 135.00 140.36 1qxy n PRO 117 Ca -0.15 0.52 0.06 0.00 -0.04 0.00 0.00 63.50 63.89 1qxy n PRO 117 Cb 0.45 -1.74 0.53 0.00 -0.04 0.00 0.00 33.50 32.70 1qxy n PRO 117 CO 0.00 0.00 0.00 1.98 -0.04 0.00 0.00 175.50 177.44 1qxy h MET 118 N 0.00 0.01 -0.18 0.54 4.05 -1.97 -1.73 114.93 115.65 1qxy h MET 118 Ca 0.00 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1qxy h MET 118 Cb 0.07 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 1qxy h MET 118 CO 0.00 0.14 0.10 0.87 0.23 0.00 0.00 176.91 178.25 1qxy h LYS 119 N 0.01 0.24 -0.33 0.39 1.57 -1.90 -1.43 116.57 115.12 1qxy h LYS 119 Ca 0.00 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 1qxy h LYS 119 Cb 0.24 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1qxy h LYS 119 CO 0.02 0.24 -0.25 0.37 -0.57 0.00 0.00 179.45 179.25 1qxy h GLN 120 N 0.18 0.67 -0.50 3.15 5.75 -1.71 -3.07 115.11 119.57 1qxy h GLN 120 Ca 0.06 -0.27 0.03 0.00 -0.15 0.00 0.00 58.65 58.33 1qxy h GLN 120 Cb 0.06 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.55 1qxy h GLN 120 CO -0.01 0.85 0.28 -0.22 -2.65 0.00 0.00 178.83 177.08 1qxy h LYS 121 N 0.58 0.53 -0.47 1.69 3.64 -0.94 0.34 116.57 121.94 1qxy h LYS 121 Ca 0.08 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1qxy h LYS 121 Cb 0.73 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1qxy h LYS 121 CO 0.06 0.35 0.11 -0.39 -2.27 0.00 0.00 179.45 177.30 1qxy h VAL 122 N 0.54 1.21 -0.28 2.00 -1.51 -1.23 0.01 116.25 117.00 1qxy h VAL 122 Ca 0.21 -0.75 -0.01 0.00 -1.23 0.00 0.00 66.70 64.93 1qxy h VAL 122 Cb 0.08 0.74 -0.01 0.00 -2.13 0.00 0.00 31.29 29.97 1qxy h VAL 122 CO -0.13 0.27 0.14 0.00 -1.23 0.00 0.00 177.57 176.63 1qxy h ASP 124 N 0.33 1.03 0.41 0.00 3.32 -0.31 -1.99 116.42 119.21 1qxy h ASP 124 Ca 0.10 -0.03 -0.20 0.00 0.02 0.00 0.00 57.03 56.92 1qxy h ASP 124 Cb 0.09 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 1qxy h ASP 124 CO -0.01 0.74 -0.86 0.58 -1.72 0.00 0.00 179.24 177.97 1qxy h VAL 125 N 1.22 1.43 -0.67 -1.35 2.07 -0.85 -2.01 116.25 116.08 1qxy h VAL 125 Ca 0.33 -2.43 0.01 0.00 0.82 0.00 0.00 66.70 65.44 1qxy h VAL 125 Cb -0.13 2.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 1qxy h VAL 125 CO -0.08 0.72 0.44 0.00 0.02 0.00 0.00 177.57 178.67 1qxy h ALA 126 N 0.89 0.86 -0.22 1.67 0.00 -0.77 0.19 119.26 121.89 1qxy h ALA 126 Ca -0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1qxy h ALA 126 Cb 1.47 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1qxy h ALA 126 CO 0.14 0.26 0.13 1.15 0.00 0.00 0.00 179.25 180.93 1qxy h THR 127 N 0.89 1.08 -0.88 0.00 2.02 -1.22 -1.23 112.91 113.57 1qxy h THR 127 Ca 0.25 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 1qxy h THR 127 Cb -0.08 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 1qxy h THR 127 CO -0.07 0.08 0.49 0.24 0.37 0.00 0.00 175.52 176.63 1qxy h MET 128 N 0.27 1.23 -0.64 6.66 2.86 -1.01 -1.68 114.93 122.61 1qxy h MET 128 Ca 0.08 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1qxy h MET 128 Cb 0.01 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 31.40 1qxy h MET 128 CO -0.02 0.89 0.29 0.00 1.06 0.00 0.00 176.91 179.13 1qxy h ALA 129 N 1.27 0.83 -0.17 6.32 0.00 -0.33 0.64 119.26 127.83 1qxy h ALA 129 Ca 0.31 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1qxy h ALA 129 Cb 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1qxy h ALA 129 CO -0.05 0.42 0.10 0.35 0.00 0.00 0.00 179.25 180.07 1qxy h PHE 130 N 0.90 0.18 -0.86 0.00 3.04 -0.98 -0.27 116.94 118.94 1qxy h PHE 130 Ca 0.22 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.18 1qxy h PHE 130 Cb 0.16 -0.06 -0.04 0.00 2.56 0.00 0.00 35.95 38.57 1qxy h PHE 130 CO 0.01 0.11 0.56 0.93 -2.02 0.00 0.00 178.31 177.90 1qxy h GLU 131 N 0.20 1.15 -0.21 1.11 5.08 -0.98 -1.40 114.58 119.53 1qxy h GLU 131 Ca 0.07 -0.08 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 1qxy h GLU 131 Cb -0.01 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 1qxy h GLU 131 CO -0.03 0.77 -0.41 -0.91 -1.00 0.00 0.00 179.01 177.43 1qxy h ASN 132 N 1.17 0.51 -0.26 1.42 2.35 -0.65 -2.22 115.58 117.90 1qxy h ASN 132 Ca 0.31 -0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1qxy h ASN 132 Cb -0.11 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 1qxy h ASN 132 CO -0.07 0.86 0.08 0.00 -1.65 0.00 0.00 177.43 176.65 1qxy h ALA 133 N 1.17 0.35 0.00 -0.83 0.00 -0.57 -3.08 119.26 116.29 1qxy h ALA 133 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1qxy h ALA 133 Cb 0.88 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1qxy h ALA 133 CO 0.07 -0.02 0.00 -0.84 0.00 0.00 0.00 179.25 178.47 1qxy h ILE 134 N 0.26 0.00 0.00 0.00 3.07 -1.15 -1.60 117.51 118.09 1qxy h ILE 134 Ca 0.08 -0.47 0.00 0.00 1.55 0.00 0.00 64.86 66.02 1qxy h ILE 134 Cb 0.25 1.45 0.00 0.00 -0.27 0.00 0.00 36.82 38.25 1qxy h ILE 134 CO -0.00 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.10 1qxy h ALA 135 N 2.47 1.00 0.00 0.16 0.00 -1.31 -2.18 119.26 119.41 1qxy h ALA 135 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qxy h ALA 135 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1qxy h ALA 135 CO 0.00 0.00 -0.51 1.63 0.00 0.00 0.00 179.25 180.37 1qxy n LYS 136 N -3.07 0.00 -2.72 0.00 4.76 -0.60 -4.94 118.16 111.59 1qxy n LYS 136 Ca -0.01 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.01 1qxy n LYS 136 Cb 0.22 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.88 1qxy n LYS 136 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1qxy s VAL 137 N -3.00 4.49 0.07 -0.18 1.01 -0.82 -4.91 120.40 117.06 1qxy s VAL 137 Ca 0.11 1.33 -0.22 0.00 0.00 0.00 0.00 61.98 63.20 1qxy s VAL 137 Cb 0.17 -4.41 0.05 0.00 0.00 0.00 0.00 36.38 32.20 1qxy s VAL 137 CO 0.70 -0.62 0.53 -1.59 0.00 0.00 0.00 175.10 174.13 1qxy s LYS 138 N 3.71 1.09 0.29 2.72 -2.85 -1.26 -4.35 119.74 119.09 1qxy s LYS 138 Ca 0.42 -0.30 -0.30 0.00 -1.00 0.00 0.00 55.97 54.79 1qxy s LYS 138 Cb -0.11 0.50 -0.13 0.00 -2.06 0.00 0.00 37.83 36.03 1qxy s LYS 138 CO 0.20 -0.41 1.38 -2.30 0.10 0.00 0.00 175.35 174.32 1qxy n PRO 139 N 0.21 2.15 -0.08 1.78 -0.02 -1.26 -2.04 135.00 135.74 1qxy n PRO 139 Ca -0.18 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1qxy n PRO 139 Cb 0.61 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1qxy n PRO 139 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qxy n GLY 140 N 1.55 1.57 3.85 -1.23 0.00 0.34 -4.97 105.19 106.30 1qxy n GLY 140 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1qxy n GLY 140 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qxy s THR 141 N -2.64 4.57 0.10 2.61 2.01 -0.87 -4.75 115.64 116.67 1qxy s THR 141 Ca 0.00 1.14 -0.31 0.00 0.31 0.00 0.00 61.69 62.84 1qxy s THR 141 Cb 0.00 -3.72 -0.07 0.00 0.01 0.00 0.00 72.50 68.72 1qxy s THR 141 CO 0.00 -0.68 1.27 -0.54 -0.69 0.00 0.00 174.62 173.99 1qxy s LYS 142 N -4.06 4.40 0.30 4.92 1.02 -1.26 -0.56 119.74 124.49 1qxy s LYS 142 Ca 0.58 1.91 0.05 0.00 0.02 0.00 0.00 55.97 58.53 1qxy s LYS 142 Cb -0.10 -3.29 0.73 0.00 -0.52 0.00 0.00 37.83 34.65 1qxy s LYS 142 CO 0.32 -0.30 1.75 1.25 -0.92 0.00 0.00 175.35 177.45 1qxy h LEU 143 N 6.51 0.64 -1.52 3.17 5.85 -1.38 -1.00 115.31 127.58 1qxy h LEU 143 Ca -0.42 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1qxy h LEU 143 Cb 1.21 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1qxy h LEU 143 CO 0.82 0.18 0.00 0.77 -0.34 0.00 0.00 178.44 179.87 1qxy h SER 144 N 0.64 0.00 0.09 1.25 4.64 -1.86 -1.44 113.55 116.87 1qxy h SER 144 Ca 0.57 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.88 1qxy h SER 144 Cb 0.95 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1qxy h SER 144 CO -0.42 0.00 -0.05 0.78 -0.87 0.00 0.00 176.83 176.26 1qxy h ASN 145 N 0.00 0.00 0.37 4.97 2.35 -1.57 -1.14 115.58 120.56 1qxy h ASN 145 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1qxy h ASN 145 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 1qxy h ASN 145 CO 0.00 0.05 -0.18 0.40 -1.65 0.00 0.00 177.43 176.06 1qxy h ILE 146 N 0.00 0.58 -0.60 2.81 2.04 -1.43 -1.73 117.51 119.18 1qxy h ILE 146 Ca -0.00 -0.54 -0.04 0.00 1.00 0.00 0.00 64.86 65.29 1qxy h ILE 146 Cb 0.11 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1qxy h ILE 146 CO 0.01 0.09 0.22 1.23 0.00 0.00 0.00 178.15 179.70 1qxy h GLY 147 N -0.83 0.94 0.84 5.37 0.00 -1.43 -0.83 103.07 107.13 1qxy h GLY 147 Ca -0.05 -0.49 0.03 0.00 0.00 0.00 0.00 47.33 46.82 1qxy h GLY 147 CO 0.08 0.47 0.32 1.70 0.00 0.00 0.00 176.54 179.11 1qxy h LYS 148 N 0.86 0.60 -0.50 4.80 3.64 -1.20 -1.23 116.57 123.56 1qxy h LYS 148 Ca 0.20 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 1qxy h LYS 148 Cb 0.20 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1qxy h LYS 148 CO -0.02 0.40 0.12 0.00 -2.27 0.00 0.00 179.45 177.69 1qxy h ALA 149 N 1.25 0.65 0.06 5.00 0.00 -0.74 -1.45 119.26 124.04 1qxy h ALA 149 Ca 0.22 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1qxy h ALA 149 Cb 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1qxy h ALA 149 CO -0.11 0.34 -0.03 0.28 0.00 0.00 0.00 179.25 179.73 1qxy h VAL 150 N 0.68 0.94 -0.32 0.00 2.07 -0.90 -1.30 116.25 117.43 1qxy h VAL 150 Ca 0.16 -0.02 -0.10 0.00 0.82 0.00 0.00 66.70 67.56 1qxy h VAL 150 Cb 0.33 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1qxy h VAL 150 CO 0.00 0.00 -0.21 -0.74 0.02 0.00 0.00 177.57 176.65 1qxy h HIS 151 N -0.09 0.66 -0.52 1.57 6.17 -1.15 -1.52 115.15 120.27 1qxy h HIS 151 Ca -0.01 -0.14 -0.03 0.00 0.71 0.00 0.00 60.37 60.90 1qxy h HIS 151 Cb 0.07 -0.16 -0.02 0.00 2.52 0.00 0.00 27.41 29.81 1qxy h HIS 151 CO -0.07 0.76 0.19 -0.97 0.71 0.00 0.00 177.93 178.55 1qxy h ASN 152 N 0.53 0.74 -0.53 3.26 -0.73 -1.14 -0.12 115.58 117.59 1qxy h ASN 152 Ca 0.08 -0.19 0.03 0.00 1.87 0.00 0.00 56.30 58.10 1qxy h ASN 152 Cb 0.65 -0.19 -0.04 0.00 0.27 0.00 0.00 38.32 39.01 1qxy h ASN 152 CO 0.05 0.72 0.30 0.74 -0.37 0.00 0.00 177.43 178.87 1qxy h THR 153 N 0.71 1.03 -0.02 -3.57 2.02 -0.91 0.11 112.91 112.28 1qxy h THR 153 Ca 0.17 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 67.15 1qxy h THR 153 Cb 0.23 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1qxy h THR 153 CO -0.01 0.11 -0.02 0.00 0.37 0.00 0.00 175.52 175.96 1qxy h ALA 154 N 1.24 -0.00 -0.90 6.16 0.00 -0.92 -2.88 119.26 121.96 1qxy h ALA 154 Ca 0.22 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1qxy h ALA 154 Cb 0.05 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1qxy h ALA 154 CO -0.11 -0.51 0.58 -0.09 0.00 0.00 0.00 179.25 179.11 1qxy h ARG 155 N -0.03 1.20 -0.05 0.00 9.65 -0.62 -0.12 114.38 124.40 1qxy h ARG 155 Ca 0.02 -0.09 0.02 0.00 -1.10 0.00 0.00 59.98 58.83 1qxy h ARG 155 Cb 0.06 -0.26 -0.00 0.00 -1.39 0.00 0.00 29.97 28.38 1qxy h ARG 155 CO -0.04 0.81 0.13 1.96 2.80 0.00 0.00 179.97 185.63 1qxy h GLN 156 N 1.22 0.00 -0.19 0.20 4.20 -0.77 -2.08 115.11 117.69 1qxy h GLN 156 Ca 0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.04 1qxy h GLN 156 Cb -0.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1qxy h GLN 156 CO -0.07 0.00 0.00 0.09 -0.67 0.00 0.00 178.83 178.18 1qxy n ASN 157 N -3.34 3.15 -3.06 1.46 3.02 -0.42 -4.98 115.26 111.09 1qxy n ASN 157 Ca -0.01 -2.72 -0.22 0.00 -0.03 0.00 0.00 54.58 51.59 1qxy n ASN 157 Cb 0.21 -0.40 0.04 0.00 -0.61 0.00 0.00 39.78 39.03 1qxy n ASN 157 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1qxy n ASP 158 N -0.51 -6.11 -4.45 6.41 8.00 -0.78 -4.99 116.55 114.11 1qxy n ASP 158 Ca 0.16 -0.33 -0.27 0.00 0.71 0.00 0.00 54.79 55.06 1qxy n ASP 158 Cb 0.67 -4.89 -0.09 0.00 -0.02 0.00 0.00 41.12 36.80 1qxy n ASP 158 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qxy s LEU 159 N -6.66 2.26 0.42 0.64 1.43 -0.19 -5.01 118.68 111.57 1qxy s LEU 159 Ca 0.35 -1.54 0.07 0.00 -1.03 0.00 0.00 54.13 51.98 1qxy s LEU 159 Cb -0.15 -0.47 -0.07 0.00 0.03 0.00 0.00 46.19 45.53 1qxy s LEU 159 CO 0.43 -0.74 0.04 -0.54 0.23 0.00 0.00 176.35 175.77 1qxy s LYS 160 N -3.80 2.02 0.19 1.70 -0.14 -0.37 -3.74 119.74 115.60 1qxy s LYS 160 Ca 0.25 -2.08 0.09 0.00 -1.36 0.00 0.00 55.97 52.86 1qxy s LYS 160 Cb 0.05 -1.70 -0.04 0.00 -1.68 0.00 0.00 37.83 34.46 1qxy s LYS 160 CO 0.12 -0.08 -0.09 0.14 -0.76 0.00 0.00 175.35 174.68 1qxy s VAL 161 N -2.70 3.20 -0.48 3.17 -7.23 -1.26 -0.67 120.40 114.42 1qxy s VAL 161 Ca 0.34 -1.70 -0.27 0.00 -1.81 0.00 0.00 61.98 58.54 1qxy s VAL 161 Cb 0.08 -2.60 0.03 0.00 0.56 0.00 0.00 36.38 34.45 1qxy s VAL 161 CO 0.18 -0.14 1.04 -0.63 -0.31 0.00 0.00 175.10 175.23 1qxy s ILE 162 N -1.79 4.32 0.16 -0.62 -1.09 -0.76 -4.32 121.20 117.10 1qxy s ILE 162 Ca 0.26 0.94 0.13 0.00 -2.23 0.00 0.00 60.65 59.75 1qxy s ILE 162 Cb -0.08 -4.54 -0.01 0.00 -1.58 0.00 0.00 42.46 36.25 1qxy s ILE 162 CO 0.16 -0.97 1.56 0.11 -1.23 0.00 0.00 174.94 174.57 1qxy h LYS 163 N 9.20 0.00 -0.60 2.79 1.57 -1.29 -3.26 116.57 124.97 1qxy h LYS 163 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1qxy h LYS 163 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1qxy h LYS 163 CO 1.09 0.62 0.00 0.27 -0.57 0.00 0.00 179.45 180.85 1qxy n ASN 164 N -3.57 5.60 -4.30 0.86 6.94 -1.26 -4.78 115.26 114.75 1qxy n ASN 164 Ca -0.00 -2.85 -0.29 0.00 -0.02 0.00 0.00 54.58 51.41 1qxy n ASN 164 Cb 0.67 -0.67 -0.15 0.00 -2.36 0.00 0.00 39.78 37.26 1qxy n ASN 164 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1qxy s LEU 165 N -2.61 2.12 0.09 -4.53 1.43 -1.23 -4.94 118.68 109.02 1qxy s LEU 165 Ca 0.54 -0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 1qxy s LEU 165 Cb 0.40 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 45.38 1qxy s LEU 165 CO 0.17 0.25 0.03 0.42 0.23 0.00 0.00 176.35 177.46 1qxy s THR 166 N -0.71 0.15 0.00 5.49 -4.23 -1.26 -4.55 115.64 110.54 1qxy s THR 166 Ca 0.10 -1.83 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 1qxy s THR 166 Cb -0.09 -1.78 0.00 0.00 1.34 0.00 0.00 72.50 71.96 1qxy s THR 166 CO 0.01 -0.70 0.00 0.61 -0.54 0.00 0.00 174.62 173.99 1qxy n GLY 167 N -0.01 -0.90 3.61 3.99 0.00 -0.17 -4.81 105.19 106.91 1qxy n GLY 167 Ca -0.10 -1.69 -0.04 0.00 0.00 0.00 0.00 46.02 44.19 1qxy n GLY 167 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1qxy s HIS 168 N -0.71 -0.12 0.70 1.61 -3.43 -0.72 -1.25 115.29 111.37 1qxy s HIS 168 Ca 0.00 0.11 -0.16 0.00 -0.80 0.00 0.00 55.06 54.22 1qxy s HIS 168 Cb 0.00 0.50 0.02 0.00 -1.43 0.00 0.00 32.58 31.68 1qxy s HIS 168 CO 0.00 -0.16 1.21 0.20 -2.00 0.00 0.00 174.74 173.99 1qxy s GLY 169 N -1.84 2.43 0.03 -1.38 0.00 -0.03 -0.34 107.32 106.20 1qxy s GLY 169 Ca 0.09 0.91 -0.11 0.00 0.00 0.00 0.00 44.72 45.61 1qxy s GLY 169 CO -0.04 1.31 0.23 0.54 0.00 0.00 0.00 173.10 175.14 1qxy s VAL 170 N -1.90 0.09 0.00 1.40 0.11 -1.01 -1.68 120.40 117.42 1qxy s VAL 170 Ca 0.75 -0.77 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 1qxy s VAL 170 Cb -0.30 -0.84 0.00 0.00 -1.53 0.00 0.00 36.38 33.72 1qxy s VAL 170 CO 0.43 -0.42 0.00 0.61 -3.33 0.00 0.00 175.10 172.39 1qxy n GLY 171 N 0.80 -0.48 0.95 6.54 0.00 -1.26 -1.40 105.19 110.35 1qxy n GLY 171 Ca -0.19 0.32 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1qxy n GLY 171 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qxy n LEU 172 N 0.00 2.92 -3.61 0.99 4.77 -1.26 -0.89 117.00 119.92 1qxy n LEU 172 Ca 0.00 -1.11 -0.09 0.00 -0.03 0.00 0.00 56.01 54.78 1qxy n LEU 172 Cb 0.00 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1qxy n LEU 172 CO 0.00 0.55 0.48 -0.94 -1.33 0.00 0.00 177.39 176.15 1qxy s SER 173 N -1.77 -0.41 0.04 -1.43 1.04 -1.26 -4.91 113.70 104.99 1qxy s SER 173 Ca 0.33 -0.24 -0.23 0.00 0.48 0.00 0.00 55.95 56.29 1qxy s SER 173 Cb 0.21 0.61 -0.15 0.00 0.10 0.00 0.00 66.02 66.79 1qxy s SER 173 CO 0.31 -1.06 1.44 0.25 0.98 0.00 0.00 173.24 175.16 1qxy h LEU 174 N 2.00 0.17 -8.00 2.42 5.85 -1.92 -3.41 115.31 112.41 1qxy h LEU 174 Ca -0.27 -0.34 -0.67 0.00 0.84 0.00 0.00 57.88 57.44 1qxy h LEU 174 Cb 1.28 -0.05 -0.35 0.00 0.37 0.00 0.00 40.66 41.91 1qxy h LEU 174 CO 0.31 0.47 -0.82 -1.00 -0.34 0.00 0.00 178.44 177.06 1qxy s HIS 175 N -4.84 3.01 0.30 1.25 3.76 -1.26 -4.39 115.29 113.11 1qxy s HIS 175 Ca -0.15 -1.89 -0.01 0.00 -0.15 0.00 0.00 55.06 52.86 1qxy s HIS 175 Cb 0.05 -1.95 0.01 0.00 1.11 0.00 0.00 32.58 31.80 1qxy s HIS 175 CO 0.70 -0.82 0.41 -0.85 -0.85 0.00 0.00 174.74 173.33 1qxy n GLU 176 N 4.56 0.59 -1.92 1.40 0.28 -0.67 -4.99 120.64 119.89 1qxy n GLU 176 Ca -0.18 -2.37 -0.40 0.00 -0.16 0.00 0.00 57.16 54.06 1qxy n GLU 176 Cb 0.47 2.27 0.01 0.00 1.43 0.00 0.00 31.44 35.61 1qxy n GLU 176 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1qxy s ALA 177 N -2.60 3.23 0.24 -1.84 0.00 -1.26 -1.39 121.76 118.14 1qxy s ALA 177 Ca 0.25 1.35 -0.30 0.00 0.00 0.00 0.00 51.96 53.26 1qxy s ALA 177 Cb -0.01 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.48 1qxy s ALA 177 CO 0.18 -1.03 1.14 -1.25 0.00 0.00 0.00 175.76 174.79 1qxy s PRO 178 N -2.39 4.57 0.15 0.00 0.04 -1.26 -4.09 135.00 132.03 1qxy s PRO 178 Ca 0.60 1.84 -0.19 0.00 0.04 0.00 0.00 61.00 63.28 1qxy s PRO 178 Cb -0.41 -3.21 0.05 0.00 0.04 0.00 0.00 34.50 30.97 1qxy s PRO 178 CO 0.52 0.08 1.66 0.00 0.04 0.00 0.00 177.00 179.31 1qxy h ALA 179 N 4.35 0.10 -3.42 8.56 0.00 -1.92 -0.05 119.26 126.88 1qxy h ALA 179 Ca -0.46 0.11 -0.39 0.00 0.00 0.00 0.00 54.91 54.17 1qxy h ALA 179 Cb 1.21 0.33 -0.35 0.00 0.00 0.00 0.00 17.79 18.99 1qxy h ALA 179 CO 0.70 -0.53 -0.76 -1.01 0.00 0.00 0.00 179.25 177.65 1qxy s HIS 180 N -6.17 0.53 -0.55 0.00 3.76 -1.26 -4.50 115.29 107.10 1qxy s HIS 180 Ca -0.14 -0.10 -0.12 0.00 -0.15 0.00 0.00 55.06 54.56 1qxy s HIS 180 Cb 0.13 -0.59 0.14 0.00 1.11 0.00 0.00 32.58 33.37 1qxy s HIS 180 CO 0.69 -0.20 0.45 0.08 -0.85 0.00 0.00 174.74 174.92 1qxy s VAL 181 N 1.24 4.69 0.77 -0.90 1.01 -0.38 -4.89 120.40 121.94 1qxy s VAL 181 Ca -0.06 -1.83 -0.11 0.00 0.00 0.00 0.00 61.98 59.98 1qxy s VAL 181 Cb -0.13 -4.03 0.06 0.00 0.00 0.00 0.00 36.38 32.27 1qxy s VAL 181 CO -0.02 -0.84 1.09 -0.76 0.00 0.00 0.00 175.10 174.56 1qxy s LEU 182 N 1.22 2.99 -0.02 3.92 1.43 -1.26 -1.00 118.68 125.97 1qxy s LEU 182 Ca 0.07 1.78 0.16 0.00 -1.03 0.00 0.00 54.13 55.10 1qxy s LEU 182 Cb -0.25 -4.48 0.49 0.00 0.03 0.00 0.00 46.19 41.97 1qxy s LEU 182 CO -0.01 -2.01 1.40 0.59 0.23 0.00 0.00 176.35 176.55 1qxy n ASN 183 N -3.50 3.03 -4.00 2.29 3.02 -1.26 -2.99 115.26 111.84 1qxy n ASN 183 Ca 0.09 -2.07 -0.09 0.00 -0.03 0.00 0.00 54.58 52.47 1qxy n ASN 183 Cb 0.53 -0.39 -0.06 0.00 -0.61 0.00 0.00 39.78 39.26 1qxy n ASN 183 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 1qxy s TYR 184 N -1.39 0.40 -0.18 3.10 -0.85 -1.19 -3.06 117.35 114.19 1qxy s TYR 184 Ca 0.36 -0.76 -0.22 0.00 -0.52 0.00 0.00 57.07 55.94 1qxy s TYR 184 Cb 0.20 0.14 -0.02 0.00 0.38 0.00 0.00 41.96 42.65 1qxy s TYR 184 CO 0.23 -0.96 0.67 0.12 -1.52 0.00 0.00 175.55 174.08 1qxy s PHE 185 N -4.02 3.41 -0.42 -3.49 5.99 -1.25 -4.12 117.98 114.07 1qxy s PHE 185 Ca 0.23 1.02 -0.10 0.00 0.00 0.00 0.00 56.93 58.08 1qxy s PHE 185 Cb -0.00 -2.83 0.07 0.00 0.00 0.00 0.00 43.02 40.26 1qxy s PHE 185 CO 0.09 -0.14 0.27 0.34 -0.00 0.00 0.00 175.22 175.77 1qxy s ASP 186 N 1.12 5.71 0.10 6.13 2.15 -1.26 -4.98 116.67 125.65 1qxy s ASP 186 Ca 0.31 -1.42 0.14 0.00 0.43 0.00 0.00 52.55 52.01 1qxy s ASP 186 Cb -0.16 -2.02 0.64 0.00 -0.30 0.00 0.00 42.92 41.08 1qxy s ASP 186 CO 0.11 -0.53 1.44 -0.81 -0.17 0.00 0.00 175.17 175.22 1qxy n PRO 187 N 4.96 0.06 0.00 4.34 -0.04 -1.26 -2.26 135.00 140.80 1qxy n PRO 187 Ca -0.11 0.40 0.12 0.00 -0.04 0.00 0.00 63.50 63.87 1qxy n PRO 187 Cb 0.43 -1.65 0.16 0.00 -0.04 0.00 0.00 33.50 32.40 1qxy n PRO 187 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1qxy n LYS 188 N -1.77 0.32 -2.69 0.54 5.02 -1.26 -4.90 118.16 113.42 1qxy n LYS 188 Ca 0.02 -0.22 -0.43 0.00 -2.02 0.00 0.00 58.31 55.66 1qxy n LYS 188 Cb 0.13 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.62 1qxy n LYS 188 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1qxy s ASP 189 N -2.83 7.07 0.00 4.39 3.68 -0.96 -4.89 116.67 123.12 1qxy s ASP 189 Ca 0.14 1.34 0.20 0.00 2.13 0.00 0.00 52.55 56.36 1qxy s ASP 189 Cb 0.18 -2.53 0.32 0.00 -1.45 0.00 0.00 42.92 39.44 1qxy s ASP 189 CO 0.69 -0.65 1.27 0.29 0.13 0.00 0.00 175.17 176.91 1qxy n LYS 190 N 6.24 2.21 -1.75 4.34 5.02 -1.26 -4.76 118.16 128.20 1qxy n LYS 190 Ca 0.11 -2.03 -0.42 0.00 -2.02 0.00 0.00 58.31 53.95 1qxy n LYS 190 Cb 0.46 -1.43 -0.01 0.00 -0.02 0.00 0.00 35.03 34.03 1qxy n LYS 190 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1qxy n THR 191 N 1.23 1.32 -4.24 -0.18 -1.04 -1.26 -4.92 114.28 105.20 1qxy n THR 191 Ca 0.16 -0.33 -0.26 0.00 -2.04 0.00 0.00 64.05 61.57 1qxy n THR 191 Cb 0.54 -1.92 -0.08 0.00 -1.82 0.00 0.00 70.33 67.04 1qxy n THR 191 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1qxy s LEU 192 N -0.88 3.20 0.40 -4.42 1.43 -1.26 -1.01 118.68 116.14 1qxy s LEU 192 Ca 0.61 -0.47 -0.23 0.00 -1.03 0.00 0.00 54.13 53.01 1qxy s LEU 192 Cb -0.50 -1.85 -0.10 0.00 0.03 0.00 0.00 46.19 43.76 1qxy s LEU 192 CO 0.53 0.08 0.98 -0.76 0.23 0.00 0.00 176.35 177.41 1qxy s LEU 193 N -2.98 4.07 0.17 1.79 1.43 0.27 -4.79 118.68 118.64 1qxy s LEU 193 Ca 0.27 1.81 0.04 0.00 -1.03 0.00 0.00 54.13 55.22 1qxy s LEU 193 Cb -0.09 -4.35 -0.05 0.00 0.03 0.00 0.00 46.19 41.74 1qxy s LEU 193 CO 0.18 -0.36 -0.06 0.42 0.23 0.00 0.00 176.35 176.76 1qxy s THR 194 N -1.92 1.04 0.14 5.49 -4.23 -1.26 -0.50 115.64 114.39 1qxy s THR 194 Ca 0.59 -2.04 -0.31 0.00 -1.18 0.00 0.00 61.69 58.75 1qxy s THR 194 Cb -0.15 -2.02 -0.11 0.00 1.34 0.00 0.00 72.50 71.57 1qxy s THR 194 CO 0.19 -0.60 1.79 -0.70 -0.54 0.00 0.00 174.62 174.76 1qxy s GLU 195 N -3.81 4.14 0.00 3.99 2.56 -1.26 -1.43 118.70 122.89 1qxy s GLU 195 Ca 0.21 2.57 0.00 0.00 0.00 0.00 0.00 54.97 57.75 1qxy s GLU 195 Cb 0.04 -3.48 0.00 0.00 2.00 0.00 0.00 34.13 32.69 1qxy s GLU 195 CO 0.03 -0.81 0.00 0.41 -0.56 0.00 0.00 175.26 174.33 1qxy n GLY 196 N 4.15 1.04 3.76 -1.50 0.00 0.68 -4.73 105.19 108.59 1qxy n GLY 196 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1qxy n GLY 196 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1qxy s MET 197 N -0.34 4.30 -0.17 1.61 -2.45 -0.51 -0.27 119.30 121.45 1qxy s MET 197 Ca 0.00 2.28 -0.02 0.00 -1.25 0.00 0.00 55.69 56.70 1qxy s MET 197 Cb 0.00 -3.08 -0.01 0.00 1.25 0.00 0.00 34.83 32.99 1qxy s MET 197 CO 0.00 -0.32 -0.10 0.08 1.05 0.00 0.00 175.02 175.74 1qxy s VAL 198 N -0.64 3.13 0.02 10.11 1.01 -0.04 -0.64 120.40 133.34 1qxy s VAL 198 Ca 0.54 -0.60 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 1qxy s VAL 198 Cb -0.41 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 1qxy s VAL 198 CO 0.50 0.48 0.07 -1.48 0.00 0.00 0.00 175.10 174.67 1qxy s LEU 199 N 0.91 1.84 -0.28 3.92 2.34 0.06 -2.41 118.68 125.06 1qxy s LEU 199 Ca -0.02 -0.40 -0.16 0.00 0.06 0.00 0.00 54.13 53.61 1qxy s LEU 199 Cb -0.15 0.48 -0.03 0.00 -0.56 0.00 0.00 46.19 45.93 1qxy s LEU 199 CO -0.00 -0.40 0.41 0.00 -1.06 0.00 0.00 176.35 175.31 1qxy s ALA 200 N -1.81 3.56 -0.24 1.48 0.00 0.54 -0.29 121.76 125.00 1qxy s ALA 200 Ca -0.12 -0.82 -0.06 0.00 0.00 0.00 0.00 51.96 50.96 1qxy s ALA 200 Cb -0.06 -2.78 -0.02 0.00 0.00 0.00 0.00 23.12 20.25 1qxy s ALA 200 CO -0.01 -0.76 0.04 0.42 0.00 0.00 0.00 175.76 175.45 1qxy s ILE 201 N 2.15 4.08 -0.42 0.00 1.01 -0.74 -1.75 121.20 125.52 1qxy s ILE 201 Ca 0.16 -0.25 0.07 0.00 0.00 0.00 0.00 60.65 60.63 1qxy s ILE 201 Cb -0.16 -2.89 0.24 0.00 0.01 0.00 0.00 42.46 39.66 1qxy s ILE 201 CO 0.10 0.37 0.57 -1.84 0.00 0.00 0.00 174.94 174.14 1qxy n GLU 202 N 4.79 0.65 -1.73 2.79 0.28 -1.26 -2.20 120.64 123.96 1qxy n GLU 202 Ca -0.17 -2.90 -0.42 0.00 -0.16 0.00 0.00 57.16 53.51 1qxy n GLU 202 Cb 0.51 -1.33 -0.00 0.00 1.43 0.00 0.00 31.44 32.06 1qxy n GLU 202 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1qxy n PRO 203 N 1.69 2.31 -4.07 3.44 -0.04 -1.20 -4.66 135.00 132.47 1qxy n PRO 203 Ca 0.20 0.81 -0.33 0.00 -0.04 0.00 0.00 63.50 64.14 1qxy n PRO 203 Cb 0.54 -2.46 -0.15 0.00 -0.04 0.00 0.00 33.50 31.39 1qxy n PRO 203 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1qxy s PHE 204 N -1.11 3.09 -0.14 0.54 0.40 -1.26 -2.86 117.98 116.63 1qxy s PHE 204 Ca 0.55 -2.03 -0.03 0.00 -0.60 0.00 0.00 56.93 54.82 1qxy s PHE 204 Cb -0.53 -1.94 -0.03 0.00 0.51 0.00 0.00 43.02 41.03 1qxy s PHE 204 CO 0.62 -0.84 -0.03 0.42 0.70 0.00 0.00 175.22 176.09 1qxy s ILE 205 N 1.19 3.96 0.04 0.64 -1.09 0.00 -1.83 121.20 124.10 1qxy s ILE 205 Ca -0.03 -0.34 0.07 0.00 -2.23 0.00 0.00 60.65 58.11 1qxy s ILE 205 Cb -0.17 -2.72 -0.02 0.00 -1.58 0.00 0.00 42.46 37.96 1qxy s ILE 205 CO -0.08 0.51 -0.20 -0.55 -1.23 0.00 0.00 174.94 173.40 1qxy s SER 206 N 0.14 2.36 0.39 3.58 0.15 0.15 -0.88 113.70 119.60 1qxy s SER 206 Ca -0.01 -0.49 0.28 0.00 0.70 0.00 0.00 55.95 56.42 1qxy s SER 206 Cb -0.14 -0.20 1.01 0.00 -1.71 0.00 0.00 66.02 64.98 1qxy s SER 206 CO 0.03 0.16 1.81 0.77 1.20 0.00 0.00 173.24 177.20 1qxy h SER 207 N 4.97 0.00 0.00 5.45 4.64 -1.27 -0.98 113.55 126.36 1qxy h SER 207 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1qxy h SER 207 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1qxy h SER 207 CO 0.44 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 173.20 1qxy n ASN 208 N -2.69 -2.30 -4.76 4.97 5.15 -1.26 -4.82 115.26 109.55 1qxy n ASN 208 Ca 0.02 0.50 -0.38 0.00 -0.60 0.00 0.00 54.58 54.12 1qxy n ASN 208 Cb 0.33 2.35 0.02 0.00 -0.53 0.00 0.00 39.78 41.95 1qxy n ASN 208 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1qxy s ALA 209 N -1.55 2.89 -1.78 5.20 0.00 -1.26 -4.88 121.76 120.38 1qxy s ALA 209 Ca 0.00 1.18 0.18 0.00 0.00 0.00 0.00 51.96 53.32 1qxy s ALA 209 Cb 0.00 -3.49 0.43 0.00 0.00 0.00 0.00 23.12 20.06 1qxy s ALA 209 CO 0.00 -1.09 1.36 -1.13 0.00 0.00 0.00 175.76 174.90 1qxy n SER 210 N -0.80 3.35 -3.46 0.00 3.41 -1.26 -4.60 113.62 110.26 1qxy n SER 210 Ca 0.09 -1.95 -0.12 0.00 -0.26 0.00 0.00 58.87 56.63 1qxy n SER 210 Cb 0.46 -0.30 -0.02 0.00 -0.26 0.00 0.00 64.21 64.08 1qxy n SER 210 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1qxy s PHE 211 N -1.14 -0.50 0.29 7.33 -0.71 -1.26 -0.75 117.98 121.24 1qxy s PHE 211 Ca 0.36 0.39 0.08 0.00 -1.04 0.00 0.00 56.93 56.72 1qxy s PHE 211 Cb 0.20 0.54 -0.04 0.00 -1.21 0.00 0.00 43.02 42.50 1qxy s PHE 211 CO 0.26 -0.73 0.11 0.14 -1.34 0.00 0.00 175.22 173.66 1qxy s VAL 212 N -3.26 3.51 0.27 -2.49 -7.23 -1.26 -4.81 120.40 105.12 1qxy s VAL 212 Ca 0.01 -1.70 0.03 0.00 -1.81 0.00 0.00 61.98 58.51 1qxy s VAL 212 Cb -0.01 -3.03 -0.05 0.00 0.56 0.00 0.00 36.38 33.85 1qxy s VAL 212 CO -0.09 -0.29 0.05 0.42 -0.31 0.00 0.00 175.10 174.88 1qxy s THR 213 N -2.32 0.88 0.24 5.32 -4.23 -0.15 -4.94 115.64 110.45 1qxy s THR 213 Ca 0.35 -2.01 -0.31 0.00 -1.18 0.00 0.00 61.69 58.53 1qxy s THR 213 Cb -0.05 -2.58 -0.13 0.00 1.34 0.00 0.00 72.50 71.08 1qxy s THR 213 CO 0.22 -0.12 1.53 1.21 -0.54 0.00 0.00 174.62 176.93 1qxy n GLU 214 N -0.51 2.33 0.00 3.99 2.13 -1.26 -0.97 120.64 126.35 1qxy n GLU 214 Ca -0.02 0.83 0.00 0.00 0.66 0.00 0.00 57.16 58.63 1qxy n GLU 214 Cb 0.66 -2.57 0.00 0.00 0.27 0.00 0.00 31.44 29.80 1qxy n GLU 214 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qxy n GLY 215 N 2.61 1.89 0.00 8.31 0.00 -0.10 -4.72 105.19 113.18 1qxy n GLY 215 Ca 0.12 -1.80 0.12 0.00 0.00 0.00 0.00 46.02 44.46 1qxy n GLY 215 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1qxy n LYS 216 N 0.00 0.21 -3.52 1.61 2.85 -1.26 -4.79 118.16 113.25 1qxy n LYS 216 Ca 0.00 0.07 -0.11 0.00 -1.05 0.00 0.00 58.31 57.22 1qxy n LYS 216 Cb 0.00 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 32.86 1qxy n LYS 216 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 1qxy n ASN 217 N -1.37 -1.24 0.00 -5.58 0.23 -1.26 -5.04 115.26 101.00 1qxy n ASN 217 Ca 0.09 -2.53 0.12 0.00 -0.53 0.00 0.00 54.58 51.73 1qxy n ASN 217 Cb 0.22 2.26 0.70 0.00 -2.08 0.00 0.00 39.78 40.88 1qxy n ASN 217 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1qxy n GLU 218 N -0.47 0.64 -0.06 -3.83 0.00 -1.26 -3.93 120.64 111.73 1qxy n GLU 218 Ca -0.01 0.02 -0.13 0.00 0.00 0.00 0.00 57.16 57.04 1qxy n GLU 218 Cb 0.49 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.38 1qxy n GLU 218 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 1qxy n TRP 219 N -1.09 0.00 -2.12 -1.84 7.02 -1.26 -5.04 117.44 113.12 1qxy n TRP 219 Ca 0.16 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.25 1qxy n TRP 219 Cb 0.12 -0.46 -0.01 0.00 -2.42 0.00 0.00 31.31 28.54 1qxy n TRP 219 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1qxy s ALA 220 N -2.24 3.27 -0.13 6.99 0.00 -1.23 -4.73 121.76 123.69 1qxy s ALA 220 Ca -0.18 1.18 -0.04 0.00 0.00 0.00 0.00 51.96 52.92 1qxy s ALA 220 Cb 0.07 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1qxy s ALA 220 CO 0.23 -0.73 0.03 -0.06 0.00 0.00 0.00 175.76 175.22 1qxy s PHE 221 N -1.27 3.21 0.31 0.00 0.08 -0.10 -0.93 117.98 119.29 1qxy s PHE 221 Ca 0.56 0.12 0.03 0.00 0.12 0.00 0.00 56.93 57.76 1qxy s PHE 221 Cb -0.37 -1.92 -0.04 0.00 -0.57 0.00 0.00 43.02 40.13 1qxy s PHE 221 CO 0.47 0.32 0.16 -1.21 -0.10 0.00 0.00 175.22 174.87 1qxy s GLU 222 N -0.32 1.63 -0.09 0.44 2.02 -0.14 -0.59 118.70 121.64 1qxy s GLU 222 Ca 0.08 -1.94 0.03 0.00 0.02 0.00 0.00 54.97 53.16 1qxy s GLU 222 Cb -0.12 -0.14 -0.01 0.00 0.10 0.00 0.00 34.13 33.95 1qxy s GLU 222 CO 0.02 -0.45 -0.20 0.95 0.02 0.00 0.00 175.26 175.60 1qxy s THR 223 N -3.56 2.47 0.41 3.63 -4.23 -1.12 -0.97 115.64 112.27 1qxy s THR 223 Ca 0.35 -0.89 0.12 0.00 -1.18 0.00 0.00 61.69 60.09 1qxy s THR 223 Cb 0.05 -1.97 0.16 0.00 1.34 0.00 0.00 72.50 72.08 1qxy s THR 223 CO 0.18 0.56 1.94 0.28 -0.54 0.00 0.00 174.62 177.03 1qxy h SER 224 N 6.36 0.10 -0.03 3.99 0.02 -1.92 -1.98 113.55 120.10 1qxy h SER 224 Ca -0.28 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1qxy h SER 224 Cb 1.20 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1qxy h SER 224 CO 0.50 0.30 0.00 -0.90 -1.14 0.00 0.00 176.83 175.59 1qxy n ASP 225 N -4.28 0.63 -3.68 3.07 5.68 -1.26 -4.92 116.55 111.80 1qxy n ASP 225 Ca -0.02 -1.33 -0.25 0.00 -0.50 0.00 0.00 54.79 52.70 1qxy n ASP 225 Cb 0.27 -0.02 0.06 0.00 -1.14 0.00 0.00 41.12 40.30 1qxy n ASP 225 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1qxy n LYS 226 N -0.45 -6.97 -1.34 0.11 5.02 -0.74 -4.95 118.16 108.82 1qxy n LYS 226 Ca 0.19 0.75 -0.35 0.00 -2.02 0.00 0.00 58.31 56.88 1qxy n LYS 226 Cb 0.20 -5.73 0.10 0.00 -0.02 0.00 0.00 35.03 29.57 1qxy n LYS 226 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1qxy n SER 227 N -2.98 0.98 -4.65 4.39 7.64 -1.26 -4.92 113.62 112.82 1qxy n SER 227 Ca -0.03 0.67 -0.40 0.00 1.01 0.00 0.00 58.87 60.12 1qxy n SER 227 Cb 0.57 -1.47 -0.06 0.00 -1.01 0.00 0.00 64.21 62.24 1qxy n SER 227 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1qxy s PHE 228 N -1.83 3.36 -0.02 1.43 0.08 -1.26 -4.77 117.98 114.96 1qxy s PHE 228 Ca 0.75 0.87 0.04 0.00 0.12 0.00 0.00 56.93 58.70 1qxy s PHE 228 Cb -0.33 -2.77 -0.00 0.00 -0.57 0.00 0.00 43.02 39.34 1qxy s PHE 228 CO 0.48 -0.18 -0.13 0.08 -0.10 0.00 0.00 175.22 175.38 1qxy s VAL 229 N 1.93 1.07 0.03 -0.44 1.01 -1.26 -0.81 120.40 121.92 1qxy s VAL 229 Ca 0.27 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.77 1qxy s VAL 229 Cb -0.16 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.28 1qxy s VAL 229 CO 0.10 0.31 -0.18 0.00 0.00 0.00 0.00 175.10 175.33 1qxy s ALA 230 N -0.04 1.52 0.06 5.51 0.00 -0.06 -4.96 121.76 123.79 1qxy s ALA 230 Ca -0.00 -0.92 0.09 0.00 0.00 0.00 0.00 51.96 51.13 1qxy s ALA 230 Cb -0.08 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 1qxy s ALA 230 CO 0.01 0.34 -0.26 -1.14 0.00 0.00 0.00 175.76 174.71 1qxy s GLN 231 N -0.97 1.69 -0.08 0.00 0.74 -1.26 -0.82 119.66 118.97 1qxy s GLN 231 Ca 0.06 -1.12 0.02 0.00 0.05 0.00 0.00 55.36 54.37 1qxy s GLN 231 Cb -0.08 -1.90 0.01 0.00 1.10 0.00 0.00 33.01 32.15 1qxy s GLN 231 CO 0.01 0.49 -0.12 0.42 -0.55 0.00 0.00 175.29 175.53 1qxy s ILE 232 N -0.84 1.20 -0.02 -2.34 -1.09 -1.14 -1.49 121.20 115.48 1qxy s ILE 232 Ca 0.11 -0.49 0.02 0.00 -2.23 0.00 0.00 60.65 58.06 1qxy s ILE 232 Cb -0.10 -1.11 0.00 0.00 -1.58 0.00 0.00 42.46 39.67 1qxy s ILE 232 CO 0.02 0.38 -0.08 -0.70 -1.23 0.00 0.00 174.94 173.33 1qxy s GLU 233 N 0.84 0.86 0.07 2.79 2.12 -0.42 -3.23 118.70 121.73 1qxy s GLU 233 Ca -0.11 -0.28 0.02 0.00 0.36 0.00 0.00 54.97 54.96 1qxy s GLU 233 Cb -0.15 -0.81 -0.04 0.00 0.26 0.00 0.00 34.13 33.39 1qxy s GLU 233 CO 0.02 0.11 -0.07 -1.01 -0.54 0.00 0.00 175.26 173.77 1qxy s HIS 234 N 0.16 0.77 -0.15 5.30 3.76 -0.94 -2.12 115.29 122.08 1qxy s HIS 234 Ca -0.02 -0.78 -0.18 0.00 -0.15 0.00 0.00 55.06 53.93 1qxy s HIS 234 Cb -0.08 -0.46 -0.04 0.00 1.11 0.00 0.00 32.58 33.12 1qxy s HIS 234 CO 0.00 -0.15 0.46 0.99 -0.85 0.00 0.00 174.74 175.19 1qxy s THR 235 N -2.87 5.18 -0.03 1.30 2.01 -1.13 -1.79 115.64 118.32 1qxy s THR 235 Ca 0.04 0.90 0.04 0.00 0.31 0.00 0.00 61.69 62.97 1qxy s THR 235 Cb 0.00 -3.80 -0.00 0.00 0.01 0.00 0.00 72.50 68.71 1qxy s THR 235 CO -0.03 0.29 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.36 1qxy s VAL 236 N 0.89 1.12 -0.19 3.82 1.01 0.61 -1.10 120.40 126.55 1qxy s VAL 236 Ca 0.24 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 1qxy s VAL 236 Cb -0.15 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 1qxy s VAL 236 CO 0.09 0.33 -0.02 -0.63 0.00 0.00 0.00 175.10 174.87 1qxy s ILE 237 N 0.04 3.77 -0.30 2.22 1.01 0.75 -0.76 121.20 127.92 1qxy s ILE 237 Ca -0.02 -0.38 -0.28 0.00 0.00 0.00 0.00 60.65 59.97 1qxy s ILE 237 Cb -0.09 -2.69 0.01 0.00 0.01 0.00 0.00 42.46 39.70 1qxy s ILE 237 CO 0.01 0.45 1.03 -0.69 0.00 0.00 0.00 174.94 175.74 1qxy s VAL 238 N 0.91 4.57 0.27 2.92 1.01 0.18 -0.95 120.40 129.32 1qxy s VAL 238 Ca 0.00 1.71 0.05 0.00 0.00 0.00 0.00 61.98 63.74 1qxy s VAL 238 Cb -0.14 -4.37 -0.06 0.00 0.00 0.00 0.00 36.38 31.81 1qxy s VAL 238 CO 0.01 -0.41 -0.01 0.42 0.00 0.00 0.00 175.10 175.12 1qxy s THR 239 N 3.50 1.33 0.44 3.92 -4.23 -1.19 -0.23 115.64 119.17 1qxy s THR 239 Ca 0.43 -2.06 0.14 0.00 -1.18 0.00 0.00 61.69 59.02 1qxy s THR 239 Cb -0.13 -2.50 0.18 0.00 1.34 0.00 0.00 72.50 71.39 1qxy s THR 239 CO 0.14 -0.24 1.97 0.50 -0.54 0.00 0.00 174.62 176.45 1qxy h LYS 240 N 2.30 0.04 -0.62 3.99 3.11 -1.97 -2.59 116.57 120.83 1qxy h LYS 240 Ca -0.40 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.44 1qxy h LYS 240 Cb 1.23 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.46 1qxy h LYS 240 CO 0.67 0.22 0.00 -0.25 -2.81 0.00 0.00 179.45 177.28 1qxy n ASP 241 N -4.31 3.78 0.00 4.20 9.92 -1.26 -4.97 116.55 123.91 1qxy n ASP 241 Ca -0.02 -2.27 0.00 0.00 -0.53 0.00 0.00 54.79 51.97 1qxy n ASP 241 Cb 0.25 -0.49 0.00 0.00 -0.64 0.00 0.00 41.12 40.25 1qxy n ASP 241 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1qxy n GLY 242 N 1.11 2.74 3.76 0.44 0.00 -0.98 -5.04 105.19 107.23 1qxy n GLY 242 Ca 0.21 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 1qxy n GLY 242 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qxy s PRO 243 N -2.50 4.39 -0.22 1.61 0.04 -1.26 -3.19 135.00 133.86 1qxy s PRO 243 Ca 0.00 2.14 -0.07 0.00 0.04 0.00 0.00 61.00 63.11 1qxy s PRO 243 Cb 0.00 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.39 1qxy s PRO 243 CO 0.00 -0.18 0.07 0.42 0.04 0.00 0.00 177.00 177.35 1qxy s ILE 244 N -0.74 4.51 -0.35 0.56 1.01 -0.13 -4.94 121.20 121.12 1qxy s ILE 244 Ca 0.51 -0.12 -0.15 0.00 0.00 0.00 0.00 60.65 60.89 1qxy s ILE 244 Cb -0.38 -3.08 -0.01 0.00 0.01 0.00 0.00 42.46 39.00 1qxy s ILE 244 CO 0.47 0.38 0.36 -0.76 0.00 0.00 0.00 174.94 175.39 1qxy s LEU 245 N 1.14 4.49 0.49 2.97 1.02 -1.26 -0.18 118.68 127.35 1qxy s LEU 245 Ca 0.04 -0.29 0.28 0.00 0.02 0.00 0.00 54.13 54.19 1qxy s LEU 245 Cb -0.14 -2.33 0.94 0.00 0.02 0.00 0.00 46.19 44.68 1qxy s LEU 245 CO 0.03 -0.35 1.83 0.71 0.02 0.00 0.00 176.35 178.58 1qxy h THR 246 N 5.55 0.10 -0.34 5.49 1.35 -1.47 -3.05 112.91 120.55 1qxy h THR 246 Ca -0.30 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.76 1qxy h THR 246 Cb 1.14 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 1qxy h THR 246 CO 0.70 0.05 0.00 0.35 -0.25 0.00 0.00 175.52 176.36 1qxy n THR 249 N -3.14 0.67 -4.05 6.82 -2.24 -1.26 -2.78 114.28 108.31 1qxy n THR 249 Ca 0.02 -0.84 -0.34 0.00 -2.27 0.00 0.00 64.05 60.62 1qxy n THR 249 Cb 0.41 0.77 -0.10 0.00 -2.10 0.00 0.00 70.33 69.31 1qxy n THR 249 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1qxy s LYS 250 N -1.11 3.92 0.00 -0.78 2.20 -1.15 -4.58 119.74 118.24 1qxy s LYS 250 Ca 0.28 -0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.52 1qxy s LYS 250 Cb 0.16 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 33.30 1qxy s LYS 250 CO 0.22 0.25 0.00 -0.89 -0.36 0.00 0.00 175.35 174.56