#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lnw s TYR 3 N 0.00 2.56 0.58 1.20 1.51 -1.26 -5.10 117.35 116.84 1lnw s TYR 3 Ca 0.00 -0.51 -0.20 0.00 -1.01 0.00 0.00 57.07 55.35 1lnw s TYR 3 Cb 0.00 -1.64 -0.04 0.00 -0.11 0.00 0.00 41.96 40.17 1lnw s TYR 3 CO 0.00 0.40 1.32 -1.25 -1.11 0.00 0.00 175.55 174.92 1lnw s PRO 4 N -3.76 2.95 -0.19 -1.71 0.04 -1.26 -4.96 135.00 126.11 1lnw s PRO 4 Ca 0.36 2.14 -0.16 0.00 0.04 0.00 0.00 61.00 63.38 1lnw s PRO 4 Cb 0.02 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1lnw s PRO 4 CO 0.20 -1.31 0.42 0.08 0.04 0.00 0.00 177.00 176.42 1lnw s VAL 5 N -1.35 5.19 0.13 -0.36 1.01 -1.26 -5.04 120.40 118.71 1lnw s VAL 5 Ca 0.75 0.75 -0.31 0.00 0.00 0.00 0.00 61.98 63.18 1lnw s VAL 5 Cb -0.39 -3.75 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 1lnw s VAL 5 CO 0.44 0.26 1.65 0.21 0.00 0.00 0.00 175.10 177.66 1lnw s ASN 6 N 0.99 6.55 0.60 3.32 3.84 -1.26 -4.90 114.94 124.07 1lnw s ASN 6 Ca 0.20 2.61 0.35 0.00 0.21 0.00 0.00 52.86 56.24 1lnw s ASN 6 Cb -0.15 -2.58 1.90 0.00 -0.55 0.00 0.00 41.25 39.88 1lnw s ASN 6 CO 0.08 -0.89 2.22 -0.65 -2.79 0.00 0.00 177.10 175.07 1lnw h PRO 7 N 7.64 0.00 0.00 0.43 0.11 -2.06 -2.94 132.00 135.18 1lnw h PRO 7 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1lnw h PRO 7 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1lnw h PRO 7 CO 0.93 0.03 0.00 -0.44 -0.21 0.00 0.00 178.00 178.31 1lnw h ASP 8 N 0.00 0.00 0.00 -2.05 3.32 -2.05 -3.41 116.42 112.23 1lnw h ASP 8 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1lnw h ASP 8 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1lnw h ASP 8 CO 0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 1lnw n LEU 9 N -2.70 0.05 0.00 1.55 4.77 -1.11 -1.48 117.00 118.08 1lnw n LEU 9 Ca 0.04 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1lnw n LEU 9 Cb 0.47 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1lnw n LEU 9 CO 0.32 0.01 0.00 -2.65 -1.33 0.00 0.00 177.39 173.74 1lnw n PRO 11 N 0.20 0.00 -0.17 3.23 -0.02 -1.26 -0.41 135.00 136.58 1lnw n PRO 11 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.38 1lnw n PRO 11 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.49 1lnw n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1lnw h ALA 12 N 0.00 0.66 0.00 3.55 0.00 -1.61 -0.90 119.26 120.96 1lnw h ALA 12 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1lnw h ALA 12 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1lnw h ALA 12 CO 0.00 0.51 0.00 -0.11 0.00 0.00 0.00 179.25 179.65 1lnw n LEU 13 N -4.28 0.42 0.00 0.00 0.00 0.45 -2.31 117.00 111.29 1lnw n LEU 13 Ca 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 56.01 55.80 1lnw n LEU 13 Cb 0.35 -0.11 0.00 0.00 0.00 0.00 0.00 43.42 43.65 1lnw n LEU 13 CO 0.43 0.08 0.00 0.00 0.00 0.00 0.00 177.39 177.90 1lnw n ALA 15 N 0.59 0.00 -0.05 1.96 0.00 -0.34 -1.70 120.51 120.97 1lnw n ALA 15 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1lnw n ALA 15 Cb 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.45 1lnw n ALA 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1lnw h VAL 16 N 0.00 1.37 -0.69 0.00 2.07 -1.73 -0.87 116.25 116.41 1lnw h VAL 16 Ca 0.00 -1.38 0.07 0.00 0.82 0.00 0.00 66.70 66.21 1lnw h VAL 16 Cb 0.00 1.99 -0.06 0.00 -1.52 0.00 0.00 31.29 31.70 1lnw h VAL 16 CO 0.00 0.40 0.37 -0.26 0.02 0.00 0.00 177.57 178.10 1lnw h PHE 17 N -0.07 0.66 -0.48 1.57 0.05 -1.62 0.09 116.94 117.15 1lnw h PHE 17 Ca 0.01 0.03 -0.08 0.00 3.82 0.00 0.00 57.97 61.75 1lnw h PHE 17 Cb 0.72 -0.20 -0.02 0.00 2.00 0.00 0.00 35.95 38.46 1lnw h PHE 17 CO 0.09 0.29 -0.00 0.37 -0.18 0.00 0.00 178.31 178.88 1lnw h GLN 18 N 0.65 0.85 -0.69 1.51 5.75 -1.82 -2.14 115.11 119.21 1lnw h GLN 18 Ca 0.32 -0.27 -0.07 0.00 -0.15 0.00 0.00 58.65 58.48 1lnw h GLN 18 Cb 0.26 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.70 1lnw h GLN 18 CO -0.22 0.89 0.17 1.25 -2.65 0.00 0.00 178.83 178.28 1lnw h HIS 19 N 0.70 1.15 -0.05 3.99 2.76 -0.65 -1.75 115.15 121.30 1lnw h HIS 19 Ca 0.14 -0.13 -0.01 0.00 -2.20 0.00 0.00 60.37 58.17 1lnw h HIS 19 Cb 0.51 -0.33 -0.00 0.00 1.55 0.00 0.00 27.41 29.15 1lnw h HIS 19 CO 0.04 0.93 -0.00 0.28 -1.30 0.00 0.00 177.93 177.88 1lnw h VAL 20 N 1.04 1.26 -0.06 5.26 2.07 -0.89 -1.68 116.25 123.25 1lnw h VAL 20 Ca 0.22 -0.80 -0.08 0.00 0.82 0.00 0.00 66.70 66.86 1lnw h VAL 20 Cb 0.36 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1lnw h VAL 20 CO 0.00 0.22 -0.33 0.08 0.02 0.00 0.00 177.57 177.56 1lnw h ARG 21 N -0.22 0.12 0.13 1.57 0.11 -1.33 -1.09 114.38 113.68 1lnw h ARG 21 Ca 0.01 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 60.04 1lnw h ARG 21 Cb 0.35 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.42 1lnw h ARG 21 CO 0.00 0.44 -0.06 1.15 0.10 0.00 0.00 179.97 181.60 1lnw h THR 22 N 0.11 1.01 -0.73 0.08 2.02 -1.28 -0.27 112.91 113.84 1lnw h THR 22 Ca 0.01 -0.63 -0.06 0.00 0.77 0.00 0.00 66.41 66.50 1lnw h THR 22 Cb 0.63 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.41 1lnw h THR 22 CO 0.05 0.15 0.20 -0.09 0.37 0.00 0.00 175.52 176.20 1lnw h ARG 23 N -0.48 1.15 -0.04 6.66 9.65 -1.18 -1.02 114.38 129.12 1lnw h ARG 23 Ca -0.02 -0.26 -0.00 0.00 -1.10 0.00 0.00 59.98 58.60 1lnw h ARG 23 Cb 0.38 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 28.80 1lnw h ARG 23 CO 0.03 0.99 0.00 0.82 2.80 0.00 0.00 179.97 184.62 1lnw h ILE 24 N 1.10 1.22 -0.72 1.20 2.04 -1.18 -2.58 117.51 118.58 1lnw h ILE 24 Ca 0.23 -0.67 0.03 0.00 1.00 0.00 0.00 64.86 65.45 1lnw h ILE 24 Cb 0.34 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 1lnw h ILE 24 CO -0.00 0.18 0.46 -0.61 0.00 0.00 0.00 178.15 178.18 1lnw h GLN 25 N -0.20 0.88 -0.98 2.37 5.75 -0.93 -0.42 115.11 121.57 1lnw h GLN 25 Ca 0.01 -0.05 0.03 0.00 -0.15 0.00 0.00 58.65 58.49 1lnw h GLN 25 Cb 0.28 -0.20 -0.06 0.00 1.07 0.00 0.00 27.48 28.58 1lnw h GLN 25 CO 0.00 0.58 0.65 1.03 -2.65 0.00 0.00 178.83 178.44 1lnw h SER 26 N 0.91 1.09 0.76 -0.69 0.87 -1.14 0.11 113.55 115.46 1lnw h SER 26 Ca 0.29 -0.02 -0.18 0.00 -1.23 0.00 0.00 61.79 60.65 1lnw h SER 26 Cb -0.01 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.68 1lnw h SER 26 CO -0.10 0.76 -0.84 -0.33 -0.53 0.00 0.00 176.83 175.79 1lnw h GLU 27 N 1.27 0.05 -0.38 2.24 5.08 -0.98 -1.99 114.58 119.87 1lnw h GLU 27 Ca 0.38 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.57 1lnw h GLU 27 Cb -0.04 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1lnw h GLU 27 CO -0.11 0.86 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.48 1lnw h LEU 28 N 0.03 0.83 -0.69 1.33 3.38 -0.50 -2.94 115.31 116.75 1lnw h LEU 28 Ca -0.02 -0.42 -0.13 0.00 0.09 0.00 0.00 57.88 57.40 1lnw h LEU 28 Cb 1.47 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1lnw h LEU 28 CO 0.11 1.07 -0.44 0.44 0.09 0.00 0.00 178.44 179.71 1lnw h ASP 29 N 0.60 0.52 1.05 -0.43 3.32 -0.78 -2.31 116.42 118.39 1lnw h ASP 29 Ca 0.08 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.89 1lnw h ASP 29 Cb 0.77 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1lnw h ASP 29 CO 0.06 0.89 0.00 0.00 -1.72 0.00 0.00 179.24 178.47 1lnw n GLN 31 N -3.06 2.57 -4.02 0.00 1.13 -1.11 -4.98 117.38 107.92 1lnw n GLN 31 Ca 0.01 -2.40 -0.32 0.00 -1.94 0.00 0.00 57.00 52.34 1lnw n GLN 31 Cb 0.31 -1.53 0.01 0.00 0.11 0.00 0.00 30.24 29.13 1lnw n GLN 31 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1lnw n ARG 32 N 1.55 -4.72 0.16 -1.09 1.74 -0.14 -4.89 116.66 109.26 1lnw n ARG 32 Ca 0.21 0.52 0.12 0.00 -0.77 0.00 0.00 57.85 57.93 1lnw n ARG 32 Cb 0.61 -5.36 0.26 0.00 -1.02 0.00 0.00 32.46 26.95 1lnw n ARG 32 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1lnw h LEU 33 N -1.89 0.00 -3.06 0.55 3.38 -1.67 -3.48 115.31 109.13 1lnw h LEU 33 Ca -0.58 -0.01 -0.40 0.00 0.09 0.00 0.00 57.88 56.97 1lnw h LEU 33 Cb 1.38 0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.23 1lnw h LEU 33 CO 0.71 0.00 -0.93 -0.67 0.09 0.00 0.00 178.44 177.65 1lnw n ASP 34 N -2.70 -5.43 -3.92 -0.43 2.03 -1.26 -5.00 116.55 99.85 1lnw n ASP 34 Ca 0.04 -0.97 -0.10 0.00 0.52 0.00 0.00 54.79 54.29 1lnw n ASP 34 Cb 0.49 -3.67 -0.10 0.00 -0.72 0.00 0.00 41.12 37.12 1lnw n ASP 34 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1lnw s LEU 35 N -6.31 1.79 0.34 -2.67 1.43 -1.26 -5.14 118.68 106.86 1lnw s LEU 35 Ca 0.46 -0.42 0.09 0.00 -1.03 0.00 0.00 54.13 53.23 1lnw s LEU 35 Cb -0.15 0.54 -0.05 0.00 0.03 0.00 0.00 46.19 46.56 1lnw s LEU 35 CO 0.84 -0.43 0.04 0.42 0.23 0.00 0.00 176.35 177.46 1lnw s THR 36 N -2.01 2.72 0.28 5.49 -4.23 -1.26 -4.87 115.64 111.76 1lnw s THR 36 Ca -0.10 -1.91 0.02 0.00 -1.18 0.00 0.00 61.69 58.52 1lnw s THR 36 Cb -0.05 -2.84 0.27 0.00 1.34 0.00 0.00 72.50 71.22 1lnw s THR 36 CO -0.02 -0.20 1.77 -0.65 -0.54 0.00 0.00 174.62 174.98 1lnw h PRO 37 N 1.75 0.66 -0.55 3.99 0.11 -1.97 -0.51 132.00 135.47 1lnw h PRO 37 Ca -0.43 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1lnw h PRO 37 Cb 1.25 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1lnw h PRO 37 CO 0.66 0.44 0.29 -1.35 -0.21 0.00 0.00 178.00 177.82 1lnw h PRO 38 N 0.68 0.77 -0.16 1.05 0.11 -1.99 0.41 132.00 132.87 1lnw h PRO 38 Ca 0.51 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.53 1lnw h PRO 38 Cb 0.75 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 1lnw h PRO 38 CO -0.37 0.58 0.05 -0.44 -0.21 0.00 0.00 178.00 177.61 1lnw h ASP 39 N 0.77 0.22 -0.78 -2.05 3.32 -1.50 0.12 116.42 116.53 1lnw h ASP 39 Ca 0.20 -0.19 0.03 0.00 0.02 0.00 0.00 57.03 57.09 1lnw h ASP 39 Cb 0.05 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 1lnw h ASP 39 CO -0.03 0.35 0.49 0.58 -1.72 0.00 0.00 179.24 178.92 1lnw h VAL 40 N 0.08 1.11 -0.10 -1.35 2.07 -1.10 -1.03 116.25 115.93 1lnw h VAL 40 Ca 0.05 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.25 1lnw h VAL 40 Cb 0.20 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1lnw h VAL 40 CO -0.00 0.17 0.03 -0.74 0.02 0.00 0.00 177.57 177.05 1lnw h HIS 41 N 0.96 0.05 -0.60 1.57 6.17 -0.53 -1.70 115.15 121.06 1lnw h HIS 41 Ca 0.32 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.40 1lnw h HIS 41 Cb 0.03 -0.01 -0.03 0.00 2.52 0.00 0.00 27.41 29.93 1lnw h HIS 41 CO -0.03 0.02 0.38 0.28 0.71 0.00 0.00 177.93 179.29 1lnw h VAL 42 N 0.07 1.17 -0.48 5.26 2.07 -0.30 -2.38 116.25 121.66 1lnw h VAL 42 Ca 0.04 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 1lnw h VAL 42 Cb 0.03 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1lnw h VAL 42 CO -0.05 0.17 0.06 -0.07 0.02 0.00 0.00 177.57 177.69 1lnw h LEU 43 N 0.81 0.72 -0.66 2.57 3.38 -0.98 -2.48 115.31 118.66 1lnw h LEU 43 Ca 0.22 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1lnw h LEU 43 Cb -0.05 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1lnw h LEU 43 CO -0.04 0.75 0.22 0.50 0.09 0.00 0.00 178.44 179.96 1lnw h LYS 44 N 0.72 1.02 -0.13 1.13 3.64 -1.01 -1.74 116.57 120.20 1lnw h LYS 44 Ca 0.15 -0.21 -0.13 0.00 -1.27 0.00 0.00 60.65 59.20 1lnw h LYS 44 Cb 0.36 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1lnw h LYS 44 CO 0.01 0.88 -0.46 -0.07 -2.27 0.00 0.00 179.45 177.53 1lnw h LEU 45 N 0.95 0.36 -0.28 5.20 3.38 -1.17 -2.29 115.31 121.46 1lnw h LEU 45 Ca 0.22 -0.17 -0.20 0.00 0.09 0.00 0.00 57.88 57.81 1lnw h LEU 45 Cb 0.27 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1lnw h LEU 45 CO -0.01 0.77 -0.74 0.40 0.09 0.00 0.00 178.44 178.95 1lnw h ILE 46 N 0.27 1.32 -0.35 1.22 2.04 -1.23 -3.03 117.51 117.75 1lnw h ILE 46 Ca 0.02 -2.03 -0.16 0.00 1.00 0.00 0.00 64.86 63.69 1lnw h ILE 46 Cb 0.92 2.02 -0.00 0.00 -0.74 0.00 0.00 36.82 39.02 1lnw h ILE 46 CO 0.08 0.63 -0.40 -0.78 0.00 0.00 0.00 178.15 177.68 1lnw h ASP 47 N 0.43 0.96 0.77 1.72 3.58 -1.28 -3.15 116.42 119.45 1lnw h ASP 47 Ca -0.04 -0.48 0.00 0.00 0.42 0.00 0.00 57.03 56.93 1lnw h ASP 47 Cb 1.35 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 42.13 1lnw h ASP 47 CO 0.14 1.24 0.00 -0.62 -2.88 0.00 0.00 179.24 177.13 1lnw n GLU 48 N -4.09 0.02 -3.34 0.28 1.02 -0.87 -4.04 120.64 109.63 1lnw n GLU 48 Ca -0.03 0.15 -0.26 0.00 -0.02 0.00 0.00 57.16 57.00 1lnw n GLU 48 Cb 0.55 -1.53 -0.09 0.00 -0.02 0.00 0.00 31.44 30.35 1lnw n GLU 48 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1lnw n GLN 49 N -1.56 0.45 -1.61 3.49 6.02 -1.15 -5.09 117.38 117.94 1lnw n GLN 49 Ca 0.05 -3.26 -0.51 0.00 -0.01 0.00 0.00 57.00 53.27 1lnw n GLN 49 Cb 0.26 -1.54 -0.06 0.00 1.02 0.00 0.00 30.24 29.92 1lnw n GLN 49 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1lnw n ARG 50 N 2.29 1.33 -0.72 -1.09 5.12 -1.24 -0.59 116.66 121.76 1lnw n ARG 50 Ca 0.27 0.48 0.00 0.00 -1.93 0.00 0.00 57.85 56.67 1lnw n ARG 50 Cb 0.49 -2.15 0.00 0.00 -1.16 0.00 0.00 32.46 29.64 1lnw n ARG 50 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1lnw n GLY 51 N 2.80 0.63 3.48 -0.13 0.00 -1.18 -5.01 105.19 105.79 1lnw n GLY 51 Ca 0.19 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1lnw n GLY 51 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1lnw n LEU 52 N 0.00 0.29 -4.87 0.99 7.94 0.24 -4.18 117.00 117.42 1lnw n LEU 52 Ca 0.00 1.01 -0.34 0.00 -1.11 0.00 0.00 56.01 55.56 1lnw n LEU 52 Cb 0.00 -1.14 -0.05 0.00 0.53 0.00 0.00 43.42 42.76 1lnw n LEU 52 CO 0.00 -2.52 0.10 0.21 -1.11 0.00 0.00 177.39 174.07 1lnw s ASN 53 N -0.86 6.66 0.36 1.96 3.04 -1.26 0.18 114.94 125.02 1lnw s ASN 53 Ca 0.62 0.82 0.04 0.00 0.04 0.00 0.00 52.86 54.39 1lnw s ASN 53 Cb -0.67 -2.19 0.69 0.00 -1.54 0.00 0.00 41.25 37.55 1lnw s ASN 53 CO 0.58 0.15 1.98 0.25 -3.04 0.00 0.00 177.10 177.02 1lnw h LEU 54 N 3.61 0.70 -0.18 3.21 7.12 -1.94 0.88 115.31 128.71 1lnw h LEU 54 Ca -0.49 -0.00 -0.04 0.00 0.13 0.00 0.00 57.88 57.48 1lnw h LEU 54 Cb 1.19 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 41.16 1lnw h LEU 54 CO 0.67 0.47 -0.03 1.56 -0.13 0.00 0.00 178.44 180.97 1lnw h GLN 55 N 0.80 0.34 0.00 1.25 1.08 -1.94 -2.52 115.11 114.12 1lnw h GLN 55 Ca 0.29 -0.12 -0.08 0.00 -1.45 0.00 0.00 58.65 57.29 1lnw h GLN 55 Cb 0.13 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 1lnw h GLN 55 CO -0.09 0.59 -0.36 -0.44 -0.95 0.00 0.00 178.83 177.59 1lnw h ASP 56 N 0.05 0.00 0.31 1.46 3.32 -1.82 -2.18 116.42 117.56 1lnw h ASP 56 Ca 0.05 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1lnw h ASP 56 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1lnw h ASP 56 CO 0.02 0.36 -0.15 0.25 -1.72 0.00 0.00 179.24 178.00 1lnw h LEU 57 N 0.00 -0.35 -0.99 1.55 6.46 -0.70 -1.20 115.31 120.08 1lnw h LEU 57 Ca -0.00 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 1lnw h LEU 57 Cb 0.65 0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 40.62 1lnw h LEU 57 CO 0.05 -0.10 0.61 1.23 -0.62 0.00 0.00 178.44 179.61 1lnw h GLY 58 N -0.60 1.38 0.87 3.75 0.00 -1.35 -2.91 103.07 104.21 1lnw h GLY 58 Ca -0.04 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 1lnw h GLY 58 CO 0.07 0.54 -0.06 -0.09 0.00 0.00 0.00 176.54 177.00 1lnw h ARG 59 N 1.32 -0.15 -1.72 4.80 2.43 -1.31 -1.18 114.38 118.57 1lnw h ARG 59 Ca 0.35 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 1lnw h ARG 59 Cb -0.10 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1lnw h ARG 59 CO -0.07 0.02 0.00 1.04 -1.51 0.00 0.00 179.97 179.44 1lnw n GLN 60 N -5.10 0.00 -2.67 0.20 6.02 -0.46 -4.65 117.38 110.72 1lnw n GLN 60 Ca -0.08 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.86 1lnw n GLN 60 Cb 0.14 -1.36 0.07 0.00 1.02 0.00 0.00 30.24 30.11 1lnw n GLN 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1lnw s ARG 63 N 0.08 0.06 0.59 0.00 1.81 -0.71 -5.14 118.95 115.64 1lnw s ARG 63 Ca 0.15 0.10 -0.19 0.00 -1.72 0.00 0.00 55.73 54.07 1lnw s ARG 63 Cb 0.23 -0.00 -0.04 0.00 -0.45 0.00 0.00 34.95 34.68 1lnw s ARG 63 CO -0.11 -0.03 1.12 -0.25 -0.68 0.00 0.00 175.30 175.35 1lnw n ASP 64 N 3.21 1.47 0.06 0.23 8.00 -1.26 -4.45 116.55 123.81 1lnw n ASP 64 Ca -0.14 0.86 0.04 0.00 0.71 0.00 0.00 54.79 56.26 1lnw n ASP 64 Cb 0.58 -1.46 0.45 0.00 -0.02 0.00 0.00 41.12 40.68 1lnw n ASP 64 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 1lnw h LYS 65 N 0.74 0.40 -0.81 -1.24 3.64 -1.95 -1.86 116.57 115.49 1lnw h LYS 65 Ca -0.49 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 58.89 1lnw h LYS 65 Cb 1.35 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 33.03 1lnw h LYS 65 CO 0.53 0.30 0.52 0.00 -2.27 0.00 0.00 179.45 178.53 1lnw h ALA 66 N 1.77 1.07 -0.07 5.00 0.00 -1.99 0.19 119.26 125.23 1lnw h ALA 66 Ca 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1lnw h ALA 66 Cb 0.02 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1lnw h ALA 66 CO -0.02 0.33 -0.03 -0.07 0.00 0.00 0.00 179.25 179.47 1lnw h LEU 67 N 1.01 0.14 -1.21 0.00 3.38 -1.70 -2.90 115.31 114.02 1lnw h LEU 67 Ca 0.33 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1lnw h LEU 67 Cb 0.02 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1lnw h LEU 67 CO -0.12 0.52 0.54 0.40 0.09 0.00 0.00 178.44 179.87 1lnw h ILE 68 N -0.24 1.18 -0.68 1.22 1.08 -1.16 -1.99 117.51 116.93 1lnw h ILE 68 Ca 0.02 -0.37 -0.06 0.00 -0.39 0.00 0.00 64.86 64.05 1lnw h ILE 68 Cb 0.47 0.02 -0.03 0.00 -3.07 0.00 0.00 36.82 34.21 1lnw h ILE 68 CO 0.01 0.19 0.18 0.74 -0.69 0.00 0.00 178.15 178.58 1lnw h THR 69 N 1.07 1.26 -0.52 -0.27 2.02 -0.62 -0.43 112.91 115.42 1lnw h THR 69 Ca 0.31 -0.94 -0.09 0.00 0.77 0.00 0.00 66.41 66.46 1lnw h THR 69 Cb -0.07 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1lnw h THR 69 CO -0.08 0.36 -0.02 0.03 0.37 0.00 0.00 175.52 176.18 1lnw h ARG 70 N 1.02 0.93 -0.62 6.66 3.08 -1.21 0.79 114.38 125.03 1lnw h ARG 70 Ca 0.22 -0.31 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 1lnw h ARG 70 Cb 0.35 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 1lnw h ARG 70 CO 0.00 0.96 0.19 -0.22 -1.07 0.00 0.00 179.97 179.83 1lnw h LYS 71 N 0.80 0.97 -0.73 0.04 1.63 -1.17 0.54 116.57 118.65 1lnw h LYS 71 Ca 0.14 -0.21 -0.07 0.00 -0.85 0.00 0.00 60.65 59.67 1lnw h LYS 71 Cb 0.56 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 32.02 1lnw h LYS 71 CO 0.03 0.86 0.20 0.82 -3.45 0.00 0.00 179.45 177.91 1lnw h ILE 72 N 0.89 1.26 -0.88 2.00 1.08 -0.87 -0.19 117.51 120.81 1lnw h ILE 72 Ca 0.20 -0.95 0.02 0.00 -0.39 0.00 0.00 64.86 63.75 1lnw h ILE 72 Cb 0.30 0.49 -0.05 0.00 -3.07 0.00 0.00 36.82 34.49 1lnw h ILE 72 CO -0.01 0.37 0.57 -0.09 -0.69 0.00 0.00 178.15 178.31 1lnw h ARG 73 N 1.09 1.10 -0.01 2.37 2.43 -0.29 0.43 114.38 121.51 1lnw h ARG 73 Ca 0.23 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1lnw h ARG 73 Cb 0.35 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1lnw h ARG 73 CO -0.00 0.73 0.00 1.49 -1.51 0.00 0.00 179.97 180.68 1lnw h GLU 74 N 1.14 0.01 -0.04 0.20 4.81 -0.11 -0.71 114.58 119.87 1lnw h GLU 74 Ca 0.34 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.48 1lnw h GLU 74 Cb -0.05 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1lnw h GLU 74 CO -0.10 0.18 -0.39 -0.07 -0.73 0.00 0.00 179.01 177.89 1lnw h LEU 75 N -0.16 0.08 -0.40 1.64 3.38 -0.57 -2.48 115.31 116.80 1lnw h LEU 75 Ca 0.00 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 1lnw h LEU 75 Cb 0.17 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1lnw h LEU 75 CO -0.00 0.47 -0.22 -0.33 0.09 0.00 0.00 178.44 178.45 1lnw h GLU 76 N 0.07 0.85 0.00 1.13 5.08 0.01 -1.07 114.58 120.64 1lnw h GLU 76 Ca 0.01 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1lnw h GLU 76 Cb 0.72 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1lnw h GLU 76 CO 0.05 1.02 0.00 0.78 -1.00 0.00 0.00 179.01 179.87 1lnw h GLY 77 N 0.66 0.00 -1.88 -3.84 0.00 -0.69 0.20 103.07 97.52 1lnw h GLY 77 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1lnw h GLY 77 CO 0.06 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.14 1lnw n ARG 78 N -2.39 2.94 -3.47 4.80 1.74 -0.95 -4.97 116.66 114.37 1lnw n ARG 78 Ca -0.01 -2.38 -0.25 0.00 -0.77 0.00 0.00 57.85 54.45 1lnw n ARG 78 Cb 0.10 -1.47 0.04 0.00 -1.02 0.00 0.00 32.46 30.11 1lnw n ARG 78 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1lnw n ASN 79 N 0.79 -5.64 -0.03 0.55 5.15 0.06 -4.87 115.26 111.27 1lnw n ASN 79 Ca 0.17 -0.50 0.01 0.00 -0.60 0.00 0.00 54.58 53.66 1lnw n ASN 79 Cb 0.57 -4.51 -0.11 0.00 -0.53 0.00 0.00 39.78 35.21 1lnw n ASN 79 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1lnw n LEU 80 N -4.49 0.00 -4.09 1.20 4.77 -0.45 -4.20 117.00 109.74 1lnw n LEU 80 Ca -0.02 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.78 1lnw n LEU 80 Cb 0.57 0.15 -0.13 0.00 -2.33 0.00 0.00 43.42 41.68 1lnw n LEU 80 CO 0.61 0.15 -0.44 -0.69 -1.33 0.00 0.00 177.39 175.69 1lnw s VAL 81 N -2.69 0.85 0.05 4.08 1.01 -1.15 -2.50 120.40 120.05 1lnw s VAL 81 Ca -0.06 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.09 1lnw s VAL 81 Cb 0.07 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 1lnw s VAL 81 CO 0.58 -0.06 -0.12 0.00 0.00 0.00 0.00 175.10 175.50 1lnw s ARG 82 N -1.04 0.73 -0.01 2.72 1.70 -0.27 -4.22 118.95 118.57 1lnw s ARG 82 Ca -0.01 -0.81 0.07 0.00 -0.47 0.00 0.00 55.73 54.51 1lnw s ARG 82 Cb -0.07 -0.67 -0.03 0.00 -0.57 0.00 0.00 34.95 33.61 1lnw s ARG 82 CO 0.01 0.15 -0.22 1.03 -1.08 0.00 0.00 175.30 175.19 1lnw s ARG 83 N -1.46 2.15 -0.02 3.89 0.52 -1.26 -1.71 118.95 121.07 1lnw s ARG 83 Ca -0.03 -0.91 -0.01 0.00 -0.52 0.00 0.00 55.73 54.26 1lnw s ARG 83 Cb -0.09 -2.15 0.01 0.00 0.52 0.00 0.00 34.95 33.25 1lnw s ARG 83 CO 0.01 0.57 0.03 -1.83 0.02 0.00 0.00 175.30 174.10 1lnw s GLU 84 N -0.90 0.01 0.20 3.54 -1.05 -0.86 -4.97 118.70 114.67 1lnw s GLU 84 Ca 0.12 0.11 -0.30 0.00 -0.15 0.00 0.00 54.97 54.75 1lnw s GLU 84 Cb -0.10 -0.09 -0.16 0.00 -0.44 0.00 0.00 34.13 33.33 1lnw s GLU 84 CO 0.01 -0.07 0.85 -2.13 0.95 0.00 0.00 175.26 174.87 1lnw n ARG 85 N 3.55 0.65 -2.50 -4.83 0.00 -1.26 -1.59 116.66 110.67 1lnw n ARG 85 Ca -0.19 0.23 -0.40 0.00 -0.00 0.00 0.00 57.85 57.49 1lnw n ARG 85 Cb 0.56 -1.49 -0.04 0.00 0.00 0.00 0.00 32.46 31.48 1lnw n ARG 85 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1lnw s ASN 86 N -0.56 7.23 0.05 6.15 3.84 -0.58 -4.72 114.94 126.34 1lnw s ASN 86 Ca 0.67 2.22 -0.15 0.00 0.21 0.00 0.00 52.86 55.81 1lnw s ASN 86 Cb -0.88 -2.62 -0.28 0.00 -0.55 0.00 0.00 41.25 36.92 1lnw s ASN 86 CO 0.56 -0.17 1.11 1.55 -2.79 0.00 0.00 177.10 177.37 1lnw h PRO 87 N 3.67 0.63 0.00 0.43 0.13 -1.90 -3.10 132.00 131.85 1lnw h PRO 87 Ca -0.47 -0.80 0.00 0.00 -0.87 0.00 0.00 66.00 63.86 1lnw h PRO 87 Cb 1.21 0.26 0.00 0.00 0.13 0.00 0.00 31.00 32.60 1lnw h PRO 87 CO 0.66 1.36 0.00 0.45 -0.23 0.00 0.00 178.00 180.24 1lnw n SER 88 N -3.84 0.00 0.00 1.44 2.88 -1.26 -3.59 113.62 109.25 1lnw n SER 88 Ca -0.13 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.43 1lnw n SER 88 Cb 0.95 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.54 1lnw n SER 88 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1lnw n ASP 89 N 0.00 0.00 -2.80 -3.46 5.68 -1.26 -4.80 116.55 109.91 1lnw n ASP 89 Ca 0.00 -0.24 -0.07 0.00 -0.50 0.00 0.00 54.79 53.98 1lnw n ASP 89 Cb 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 1lnw n ASP 89 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1lnw n GLN 90 N -0.86 -0.98 0.00 0.11 10.64 -1.17 -4.53 117.38 120.59 1lnw n GLN 90 Ca 0.03 0.02 0.00 0.00 -1.83 0.00 0.00 57.00 55.22 1lnw n GLN 90 Cb 0.02 -0.77 0.00 0.00 -0.86 0.00 0.00 30.24 28.63 1lnw n GLN 90 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1lnw n ARG 91 N -1.69 0.21 -4.12 2.61 1.74 -1.26 -4.88 116.66 109.27 1lnw n ARG 91 Ca -0.06 -0.03 -0.27 0.00 -0.77 0.00 0.00 57.85 56.73 1lnw n ARG 91 Cb 0.14 -0.34 -0.04 0.00 -1.02 0.00 0.00 32.46 31.20 1lnw n ARG 91 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1lnw s SER 92 N -0.04 4.49 -0.04 0.55 0.01 -1.26 -5.02 113.70 112.38 1lnw s SER 92 Ca 0.00 -1.24 0.04 0.00 1.31 0.00 0.00 55.95 56.05 1lnw s SER 92 Cb 0.00 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.32 1lnw s SER 92 CO 0.00 -0.84 -0.15 -0.36 0.41 0.00 0.00 173.24 172.30 1lnw s PHE 93 N -2.72 1.55 -0.04 2.43 0.08 -1.26 -1.53 117.98 116.49 1lnw s PHE 93 Ca 0.32 -0.46 -0.07 0.00 0.12 0.00 0.00 56.93 56.84 1lnw s PHE 93 Cb 0.01 -1.07 -0.04 0.00 -0.57 0.00 0.00 43.02 41.35 1lnw s PHE 93 CO 0.18 -0.18 0.22 -0.65 -0.10 0.00 0.00 175.22 174.70 1lnw s GLN 94 N 0.17 3.53 -0.12 0.44 -0.21 -0.62 -3.86 119.66 118.98 1lnw s GLN 94 Ca -0.06 -0.10 -0.06 0.00 0.02 0.00 0.00 55.36 55.16 1lnw s GLN 94 Cb -0.12 -3.13 -0.04 0.00 1.00 0.00 0.00 33.01 30.72 1lnw s GLN 94 CO 0.02 0.70 0.09 -0.51 -2.12 0.00 0.00 175.29 173.47 1lnw s LEU 95 N -1.50 4.06 0.04 2.90 1.43 0.13 -2.02 118.68 123.73 1lnw s LEU 95 Ca 0.23 0.31 -0.05 0.00 -1.03 0.00 0.00 54.13 53.58 1lnw s LEU 95 Cb -0.13 -1.98 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 1lnw s LEU 95 CO 0.12 0.36 0.09 -0.36 0.23 0.00 0.00 176.35 176.79 1lnw s PHE 96 N -0.72 0.22 -0.05 0.29 0.40 -0.69 -3.08 117.98 114.35 1lnw s PHE 96 Ca 0.12 -0.54 -0.18 0.00 -0.60 0.00 0.00 56.93 55.73 1lnw s PHE 96 Cb -0.12 -0.15 -0.05 0.00 0.51 0.00 0.00 43.02 43.21 1lnw s PHE 96 CO 0.03 -0.37 0.50 -0.51 0.70 0.00 0.00 175.22 175.56 1lnw s LEU 97 N -2.20 4.37 1.06 -0.37 1.02 -1.26 -1.11 118.68 120.18 1lnw s LEU 97 Ca -0.04 0.96 -0.16 0.00 0.02 0.00 0.00 54.13 54.91 1lnw s LEU 97 Cb -0.00 -2.74 0.22 0.00 0.02 0.00 0.00 46.19 43.69 1lnw s LEU 97 CO -0.05 0.11 1.16 0.42 0.02 0.00 0.00 176.35 178.01 1lnw s THR 98 N -0.03 1.82 0.28 5.49 -4.23 -1.04 -4.73 115.64 113.19 1lnw s THR 98 Ca 0.27 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.77 1lnw s THR 98 Cb -0.16 -2.66 0.14 0.00 1.34 0.00 0.00 72.50 71.16 1lnw s THR 98 CO 0.13 0.00 1.81 0.44 -0.54 0.00 0.00 174.62 176.46 1lnw h ASP 99 N -2.06 0.74 -0.36 3.99 3.32 -1.90 -1.40 116.42 118.75 1lnw h ASP 99 Ca -0.47 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 56.37 1lnw h ASP 99 Cb 1.29 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1lnw h ASP 99 CO 0.44 0.76 -0.04 -0.08 -1.72 0.00 0.00 179.24 178.60 1lnw h GLU 100 N 0.76 0.66 -0.87 3.56 4.81 -1.91 -2.01 114.58 119.57 1lnw h GLU 100 Ca 0.16 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1lnw h GLU 100 Cb 0.34 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 1lnw h GLU 100 CO 0.00 0.79 0.52 0.78 -0.73 0.00 0.00 179.01 180.38 1lnw h GLY 101 N 0.47 1.28 0.97 1.92 0.00 -1.58 0.13 103.07 106.25 1lnw h GLY 101 Ca 0.10 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 1lnw h GLY 101 CO 0.03 0.52 0.01 -2.00 0.00 0.00 0.00 176.54 175.10 1lnw h LEU 102 N 1.21 0.76 -0.02 3.11 5.85 -1.19 -0.74 115.31 124.27 1lnw h LEU 102 Ca 0.31 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1lnw h LEU 102 Cb -0.03 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.79 1lnw h LEU 102 CO -0.06 0.87 0.01 0.00 -0.34 0.00 0.00 178.44 178.93 1lnw h ALA 103 N 0.91 0.03 -0.06 1.25 0.00 -0.96 -0.43 119.26 120.01 1lnw h ALA 103 Ca 0.13 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1lnw h ALA 103 Cb 0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1lnw h ALA 103 CO 0.02 -0.41 -0.23 0.97 0.00 0.00 0.00 179.25 179.60 1lnw h ILE 104 N -0.07 1.19 -0.38 0.00 2.10 -0.92 -2.11 117.51 117.33 1lnw h ILE 104 Ca 0.01 -0.90 -0.08 0.00 1.08 0.00 0.00 64.86 64.97 1lnw h ILE 104 Cb 0.11 1.41 -0.01 0.00 -1.09 0.00 0.00 36.82 37.24 1lnw h ILE 104 CO -0.00 0.27 -0.06 -0.74 -1.08 0.00 0.00 178.15 176.54 1lnw h HIS 105 N 0.09 0.79 -0.34 2.19 2.76 -0.74 -0.84 115.15 119.06 1lnw h HIS 105 Ca 0.01 -0.16 -0.07 0.00 -2.20 0.00 0.00 60.37 57.96 1lnw h HIS 105 Cb 0.46 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.20 1lnw h HIS 105 CO 0.00 0.83 -0.08 1.96 -1.30 0.00 0.00 177.93 179.34 1lnw h GLN 106 N 0.52 0.56 0.02 5.26 4.20 -0.67 -0.92 115.11 124.08 1lnw h GLN 106 Ca 0.10 -0.15 -0.25 0.00 0.06 0.00 0.00 58.65 58.40 1lnw h GLN 106 Cb 0.56 -0.06 0.02 0.00 0.30 0.00 0.00 27.48 28.29 1lnw h GLN 106 CO 0.03 0.64 -1.00 0.45 -0.67 0.00 0.00 178.83 178.28 1lnw h HIS 107 N 0.52 0.97 -0.38 2.96 3.86 -1.28 -2.70 115.15 119.09 1lnw h HIS 107 Ca 0.10 -0.54 -0.01 0.00 -1.16 0.00 0.00 60.37 58.76 1lnw h HIS 107 Cb 0.46 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.81 1lnw h HIS 107 CO 0.02 1.38 0.21 0.00 0.86 0.00 0.00 177.93 180.39 1lnw h ALA 108 N 0.36 0.49 -0.89 2.45 0.00 -1.03 -2.30 119.26 118.34 1lnw h ALA 108 Ca -0.13 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1lnw h ALA 108 Cb 1.67 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.25 1lnw h ALA 108 CO 0.20 0.02 0.57 0.93 0.00 0.00 0.00 179.25 180.97 1lnw h GLU 109 N 0.49 1.06 -0.54 0.00 4.39 -1.23 -2.18 114.58 116.57 1lnw h GLU 109 Ca 0.13 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.79 1lnw h GLU 109 Cb 0.06 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.44 1lnw h GLU 109 CO -0.02 0.70 0.34 0.00 -1.16 0.00 0.00 179.01 178.87 1lnw h ALA 110 N 1.38 0.69 0.00 3.43 0.00 -1.11 -1.70 119.26 121.96 1lnw h ALA 110 Ca 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1lnw h ALA 110 Cb 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1lnw h ALA 110 CO -0.14 0.08 0.00 0.44 0.00 0.00 0.00 179.25 179.64 1lnw n ILE 111 N -4.74 0.88 0.00 0.00 -6.64 -0.82 -2.47 119.36 105.57 1lnw n ILE 111 Ca 0.04 -0.18 0.00 0.00 -1.77 0.00 0.00 62.75 60.84 1lnw n ILE 111 Cb 0.05 -1.10 0.00 0.00 -1.44 0.00 0.00 39.64 37.15 1lnw n ILE 111 CO 0.00 0.00 0.00 -1.54 -1.77 0.00 0.00 176.55 173.24 1lnw n SER 113 N 1.41 0.00 -0.04 7.28 3.41 -0.64 -1.12 113.62 123.92 1lnw n SER 113 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 1lnw n SER 113 Cb 0.26 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.13 1lnw n SER 113 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1lnw h ARG 114 N 0.00 0.34 -0.53 4.33 2.43 -1.74 -2.27 114.38 116.94 1lnw h ARG 114 Ca 0.00 -0.23 -0.06 0.00 -0.81 0.00 0.00 59.98 58.88 1lnw h ARG 114 Cb 0.00 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1lnw h ARG 114 CO 0.00 0.84 0.10 0.28 -1.51 0.00 0.00 179.97 179.68 1lnw h VAL 115 N -0.10 1.23 -0.36 0.20 2.07 -1.41 -1.99 116.25 115.88 1lnw h VAL 115 Ca -0.00 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1lnw h VAL 115 Cb 0.84 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1lnw h VAL 115 CO 0.05 0.32 0.19 0.45 0.02 0.00 0.00 177.57 178.60 1lnw h HIS 116 N 0.80 0.51 -0.33 1.57 3.86 -1.81 0.12 115.15 119.87 1lnw h HIS 116 Ca 0.17 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.37 1lnw h HIS 116 Cb 0.34 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 1lnw h HIS 116 CO 0.02 0.42 0.21 -0.44 0.86 0.00 0.00 177.93 179.00 1lnw h ASP 117 N 0.45 0.36 -0.94 2.45 5.19 -1.10 -2.30 116.42 120.53 1lnw h ASP 117 Ca 0.13 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 1lnw h ASP 117 Cb 0.09 -0.08 -0.04 0.00 0.18 0.00 0.00 39.33 39.47 1lnw h ASP 117 CO -0.02 0.26 0.55 -0.33 -3.12 0.00 0.00 179.24 176.58 1lnw h GLU 118 N 0.43 1.28 -0.25 3.56 5.08 -1.09 -1.82 114.58 121.78 1lnw h GLU 118 Ca 0.13 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1lnw h GLU 118 Cb -0.03 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 28.95 1lnw h GLU 118 CO -0.04 0.91 -0.47 -0.07 -1.00 0.00 0.00 179.01 178.34 1lnw h LEU 119 N 1.30 0.71 -2.86 1.33 3.38 -0.66 -3.30 115.31 115.20 1lnw h LEU 119 Ca 0.33 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1lnw h LEU 119 Cb -0.03 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1lnw h LEU 119 CO -0.06 1.07 0.00 0.49 0.09 0.00 0.00 178.44 180.03 1lnw n PHE 120 N -4.00 0.62 -0.13 1.13 3.01 -0.89 -4.58 117.46 112.61 1lnw n PHE 120 Ca -0.03 -0.51 -0.09 0.00 1.01 0.00 0.00 57.45 57.83 1lnw n PHE 120 Cb 0.57 -0.03 -0.01 0.00 -0.01 0.00 0.00 39.48 40.00 1lnw n PHE 120 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1lnw h ALA 121 N 2.63 0.49 0.00 4.37 0.00 -1.41 -2.65 119.26 122.69 1lnw h ALA 121 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1lnw h ALA 121 Cb 0.82 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1lnw h ALA 121 CO 0.01 0.11 0.11 -0.35 0.00 0.00 0.00 179.25 179.12 1lnw n PRO 122 N -4.65 0.05 -3.69 0.00 -0.04 -1.26 -4.53 135.00 120.88 1lnw n PRO 122 Ca -0.01 0.50 -0.36 0.00 -0.04 0.00 0.00 63.50 63.59 1lnw n PRO 122 Cb 0.16 -1.77 -0.07 0.00 -0.04 0.00 0.00 33.50 31.77 1lnw n PRO 122 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1lnw s LEU 123 N -3.47 4.24 0.91 1.53 1.02 -1.00 -5.09 118.68 116.82 1lnw s LEU 123 Ca -0.01 0.34 -0.11 0.00 0.02 0.00 0.00 54.13 54.37 1lnw s LEU 123 Cb 0.02 -2.17 0.14 0.00 0.02 0.00 0.00 46.19 44.20 1lnw s LEU 123 CO 0.07 0.19 1.09 0.42 0.02 0.00 0.00 176.35 178.14 1lnw s THR 124 N 0.21 2.60 0.26 5.49 -4.23 -1.26 -4.74 115.64 113.96 1lnw s THR 124 Ca 0.11 0.19 -0.02 0.00 -1.18 0.00 0.00 61.69 60.79 1lnw s THR 124 Cb -0.12 -2.57 0.23 0.00 1.34 0.00 0.00 72.50 71.39 1lnw s THR 124 CO 0.00 -0.25 1.80 -0.65 -0.54 0.00 0.00 174.62 174.98 1lnw h PRO 125 N -1.65 0.76 -0.22 3.99 0.11 -1.96 -1.15 132.00 131.87 1lnw h PRO 125 Ca -0.49 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.41 1lnw h PRO 125 Cb 1.28 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1lnw h PRO 125 CO 0.52 0.50 -0.51 0.28 -0.21 0.00 0.00 178.00 178.58 1lnw h VAL 126 N 0.78 1.31 -0.79 3.15 2.07 -1.99 -2.15 116.25 118.64 1lnw h VAL 126 Ca 0.43 -1.73 -0.04 0.00 0.82 0.00 0.00 66.70 66.19 1lnw h VAL 126 Cb 0.47 1.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 1lnw h VAL 126 CO -0.28 0.54 0.34 -0.33 0.02 0.00 0.00 177.57 177.87 1lnw h GLU 127 N 0.49 1.16 0.06 1.57 5.08 -1.70 -0.00 114.58 121.24 1lnw h GLU 127 Ca 0.02 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1lnw h GLU 127 Cb 1.06 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1lnw h GLU 127 CO 0.10 0.92 -0.03 1.96 -1.00 0.00 0.00 179.01 180.96 1lnw h GLN 128 N 1.13 -0.07 -0.22 2.33 4.20 -1.17 -0.59 115.11 120.72 1lnw h GLN 128 Ca 0.27 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 1lnw h GLN 128 Cb 0.17 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1lnw h GLN 128 CO -0.03 0.15 0.09 0.00 -0.67 0.00 0.00 178.83 178.37 1lnw h ALA 129 N 0.63 1.75 -0.23 3.87 0.00 -1.26 0.71 119.26 124.73 1lnw h ALA 129 Ca -0.01 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 1lnw h ALA 129 Cb 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1lnw h ALA 129 CO 0.01 0.20 -0.63 1.15 0.00 0.00 0.00 179.25 179.99 1lnw h THR 130 N 0.30 1.28 -0.37 0.00 2.02 -0.79 -1.07 112.91 114.29 1lnw h THR 130 Ca 0.08 -1.83 -0.04 0.00 0.77 0.00 0.00 66.41 65.39 1lnw h THR 130 Cb 0.06 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 1lnw h THR 130 CO -0.01 0.59 0.08 0.25 0.37 0.00 0.00 175.52 176.80 1lnw h LEU 131 N 0.59 0.56 -0.32 2.58 5.85 0.02 -1.58 115.31 123.02 1lnw h LEU 131 Ca -0.01 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.49 1lnw h LEU 131 Cb 1.23 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 1lnw h LEU 131 CO 0.13 0.66 0.17 0.58 -0.34 0.00 0.00 178.44 179.64 1lnw h VAL 132 N 0.44 1.02 -0.26 1.05 2.07 -0.87 -2.16 116.25 117.54 1lnw h VAL 132 Ca 0.11 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1lnw h VAL 132 Cb 0.32 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1lnw h VAL 132 CO 0.00 0.07 0.17 -0.74 0.02 0.00 0.00 177.57 177.09 1lnw h HIS 133 N 0.36 0.32 -0.57 1.57 -0.00 -1.01 0.57 115.15 116.39 1lnw h HIS 133 Ca 0.13 0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.44 1lnw h HIS 133 Cb 0.02 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 27.29 1lnw h HIS 133 CO -0.08 0.20 0.09 -0.07 -0.00 0.00 0.00 177.93 178.07 1lnw h LEU 134 N 0.35 0.87 -0.13 0.26 3.38 -1.23 -0.37 115.31 118.44 1lnw h LEU 134 Ca 0.09 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1lnw h LEU 134 Cb -0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1lnw h LEU 134 CO -0.02 0.89 0.03 -0.07 0.09 0.00 0.00 178.44 179.35 1lnw h LEU 135 N 0.87 0.21 -0.93 1.67 4.07 -1.19 -2.36 115.31 117.66 1lnw h LEU 135 Ca 0.18 -0.24 0.09 0.00 0.08 0.00 0.00 57.88 57.99 1lnw h LEU 135 Cb 0.39 -0.05 -0.07 0.00 1.08 0.00 0.00 40.66 42.00 1lnw h LEU 135 CO 0.01 0.39 0.58 0.44 -1.08 0.00 0.00 178.44 178.78 1lnw h ASP 136 N 0.01 0.87 -0.12 -0.43 3.32 -0.57 -2.08 116.42 117.42 1lnw h ASP 136 Ca 0.04 0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 1lnw h ASP 136 Cb 0.27 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1lnw h ASP 136 CO 0.00 0.51 -0.21 1.56 -1.72 0.00 0.00 179.24 179.38 1lnw h GLN 137 N 0.98 0.55 -0.18 3.56 4.20 -0.82 -0.76 115.11 122.63 1lnw h GLN 137 Ca 0.43 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.94 1lnw h GLN 137 Cb 0.32 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1lnw h GLN 137 CO -0.22 0.73 0.10 0.00 -0.67 0.00 0.00 178.83 178.77 1lnw h LEU 139 N 0.20 0.38 -2.11 0.00 4.07 -1.30 -3.20 115.31 113.36 1lnw h LEU 139 Ca 0.07 -0.34 -0.00 0.00 0.08 0.00 0.00 57.88 57.68 1lnw h LEU 139 Cb 0.05 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 41.69 1lnw h LEU 139 CO -0.01 0.64 -0.02 0.00 -1.08 0.00 0.00 178.44 177.96 1lnw h ALA 140 N 0.76 1.79 -0.01 1.53 0.00 -1.13 -1.96 119.26 120.25 1lnw h ALA 140 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1lnw h ALA 140 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1lnw h ALA 140 CO 0.02 0.03 -0.17 0.00 0.00 0.00 0.00 179.25 179.12 1lnw n ALA 141 N -2.46 2.89 1.05 0.00 0.00 -1.05 -5.10 120.51 115.84 1lnw n ALA 141 Ca -0.03 -0.32 0.08 0.00 0.00 0.00 0.00 53.44 53.17 1lnw n ALA 141 Cb 0.11 -1.25 0.50 0.00 0.00 0.00 0.00 19.45 18.80 1lnw n ALA 141 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54