#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 2.05 0.34 3.10 1.51 -1.26 -4.96 117.35 118.13 1lnw s TYR 3 Ca 0.00 1.16 -0.29 0.00 -1.01 0.00 0.00 57.07 56.93 1lnw s TYR 3 Cb 0.00 -3.20 -0.11 0.00 -0.11 0.00 0.00 41.96 38.54 1lnw s TYR 3 CO 0.00 -2.84 1.46 -2.14 -1.11 0.00 0.00 175.55 170.92 1lnw s PRO 4 N -4.86 4.18 -0.33 -1.71 0.02 -1.26 -4.98 135.00 126.06 1lnw s PRO 4 Ca 0.65 2.47 -0.15 0.00 0.02 0.00 0.00 61.00 63.99 1lnw s PRO 4 Cb -0.19 -3.01 -0.02 0.00 0.02 0.00 0.00 34.50 31.30 1lnw s PRO 4 CO 0.58 -0.47 0.34 0.08 -0.33 0.00 0.00 177.00 177.21 1lnw s VAL 5 N -0.82 5.19 0.14 3.83 1.01 -1.26 -5.05 120.40 123.43 1lnw s VAL 5 Ca 0.54 0.07 -0.31 0.00 0.00 0.00 0.00 61.98 62.28 1lnw s VAL 5 Cb -0.45 -3.78 -0.11 0.00 0.00 0.00 0.00 36.38 32.04 1lnw s VAL 5 CO 0.56 -0.04 1.84 -3.20 0.00 0.00 0.00 175.10 174.26 1lnw n ASN 6 N 5.33 4.09 0.33 3.32 5.15 -1.26 -4.88 115.26 127.34 1lnw n ASN 6 Ca -0.10 0.99 0.22 0.00 -0.60 0.00 0.00 54.58 55.09 1lnw n ASN 6 Cb 0.50 -1.56 1.17 0.00 -0.53 0.00 0.00 39.78 39.36 1lnw n ASN 6 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1lnw h PRO 7 N 8.43 0.00 0.00 1.20 0.11 -2.06 -2.57 132.00 137.12 1lnw h PRO 7 Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1lnw h PRO 7 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1lnw h PRO 7 CO 0.95 0.00 -0.08 -0.44 -0.21 0.00 0.00 178.00 178.22 1lnw h ASP 8 N 0.00 0.00 0.00 -2.05 3.45 -2.05 -3.39 116.42 112.37 1lnw h ASP 8 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1lnw h ASP 8 Cb 0.05 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 1lnw h ASP 8 CO -0.00 0.08 0.00 0.18 -1.57 0.00 0.00 179.24 177.93 1lnw n LEU 9 N -3.14 0.00 0.00 1.55 4.77 -0.97 -1.86 117.00 117.35 1lnw n LEU 9 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1lnw n LEU 9 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1lnw n LEU 9 CO 0.33 0.00 0.00 -2.65 -1.33 0.00 0.00 177.39 173.74 1lnw n PRO 11 N 0.32 0.00 -0.19 3.23 -0.02 -1.26 -1.16 135.00 135.91 1lnw n PRO 11 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.41 1lnw n PRO 11 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 33.50 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 0.69 0.00 3.55 0.00 -1.73 -0.06 119.26 121.71 1lnw h ALA 12 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1lnw h ALA 12 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1lnw h ALA 12 CO 0.00 0.19 0.00 -0.11 0.00 0.00 0.00 179.25 179.33 1lnw n LEU 13 N -4.65 0.33 0.00 0.00 7.94 -0.31 -1.92 117.00 118.38 1lnw n LEU 13 Ca 0.03 -0.16 0.00 0.00 -1.11 0.00 0.00 56.01 54.77 1lnw n LEU 13 Cb 0.06 -0.07 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1lnw n LEU 13 CO 0.36 0.06 0.00 0.00 -1.11 0.00 0.00 177.39 176.70 1lnw n ALA 15 N 0.78 0.00 0.02 1.96 0.00 -0.04 -1.49 120.51 121.74 1lnw n ALA 15 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1lnw n ALA 15 Cb 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.43 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 1.15 -0.83 0.00 2.07 -1.65 -1.06 116.25 115.93 1lnw h VAL 16 Ca 0.00 -0.48 0.10 0.00 0.82 0.00 0.00 66.70 67.14 1lnw h VAL 16 Cb 0.00 1.47 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 1lnw h VAL 16 CO 0.00 0.12 0.47 -0.26 0.02 0.00 0.00 177.57 177.92 1lnw h PHE 17 N -0.22 0.85 -0.20 1.57 0.05 -1.55 -0.06 116.94 117.38 1lnw h PHE 17 Ca -0.00 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.81 1lnw h PHE 17 Cb 0.22 -0.26 -0.01 0.00 2.00 0.00 0.00 35.95 37.90 1lnw h PHE 17 CO -0.01 0.34 0.10 0.37 -0.18 0.00 0.00 178.31 178.93 1lnw h GLN 18 N 0.78 0.29 -0.12 1.51 -0.00 -1.77 -1.18 115.11 114.61 1lnw h GLN 18 Ca 0.40 -0.04 -0.00 0.00 -0.00 0.00 0.00 58.65 59.01 1lnw h GLN 18 Cb 0.38 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.80 1lnw h GLN 18 CO -0.25 0.31 0.06 1.25 0.00 0.00 0.00 178.83 180.20 1lnw h HIS 19 N 0.20 0.18 -0.28 3.99 2.76 -0.54 -1.30 115.15 120.15 1lnw h HIS 19 Ca 0.07 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.27 1lnw h HIS 19 Cb 0.12 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 28.98 1lnw h HIS 19 CO -0.03 0.22 0.04 0.28 -1.30 0.00 0.00 177.93 177.15 1lnw h VAL 20 N 0.08 0.84 -0.67 5.26 2.07 -0.96 -2.19 116.25 120.68 1lnw h VAL 20 Ca 0.04 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.54 1lnw h VAL 20 Cb 0.11 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1lnw h VAL 20 CO -0.01 0.02 0.42 -0.09 0.02 0.00 0.00 177.57 177.94 1lnw h ARG 21 N 0.14 0.80 -0.24 1.57 2.43 -1.07 -2.09 114.38 115.91 1lnw h ARG 21 Ca 0.13 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1lnw h ARG 21 Cb 0.15 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1lnw h ARG 21 CO -0.19 0.53 0.16 1.15 -1.51 0.00 0.00 179.97 180.11 1lnw h THR 22 N 0.83 1.07 -0.32 0.20 2.02 -0.80 -1.66 112.91 114.24 1lnw h THR 22 Ca 0.26 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 67.23 1lnw h THR 22 Cb 0.00 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1lnw h THR 22 CO -0.10 0.07 -0.12 0.03 0.37 0.00 0.00 175.52 175.77 1lnw h ARG 23 N 0.33 0.65 -0.28 6.66 2.47 -1.30 -1.29 114.38 121.62 1lnw h ARG 23 Ca 0.09 -0.27 0.03 0.00 -1.26 0.00 0.00 59.98 58.57 1lnw h ARG 23 Cb -0.03 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.24 1lnw h ARG 23 CO -0.02 0.85 0.11 0.82 0.56 0.00 0.00 179.97 182.29 1lnw h ILE 24 N 0.42 0.95 0.07 2.04 2.04 -1.33 -2.11 117.51 119.58 1lnw h ILE 24 Ca 0.08 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1lnw h ILE 24 Cb 0.63 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1lnw h ILE 24 CO 0.04 0.05 -0.04 1.56 0.00 0.00 0.00 178.15 179.76 1lnw h GLN 25 N 0.25 -0.09 -0.91 2.37 1.08 -1.24 -2.05 115.11 114.51 1lnw h GLN 25 Ca 0.12 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.38 1lnw h GLN 25 Cb 0.08 0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 27.47 1lnw h GLN 25 CO -0.11 -0.06 0.59 0.77 -0.95 0.00 0.00 178.83 179.07 1lnw h SER 26 N -0.10 0.95 0.20 1.46 0.02 -1.09 -1.17 113.55 113.82 1lnw h SER 26 Ca -0.01 -0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 1lnw h SER 26 Cb 0.08 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 1lnw h SER 26 CO 0.01 0.63 -0.72 -0.33 -1.14 0.00 0.00 176.83 175.28 1lnw h GLU 27 N 1.09 0.45 -0.42 3.45 4.39 -1.24 -2.45 114.58 119.85 1lnw h GLU 27 Ca 0.38 -0.36 -0.10 0.00 0.34 0.00 0.00 59.36 59.61 1lnw h GLU 27 Cb 0.11 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1lnw h GLU 27 CO -0.13 0.99 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.48 1lnw h LEU 28 N 0.31 0.79 -1.34 1.33 3.38 -0.95 -2.81 115.31 116.02 1lnw h LEU 28 Ca -0.03 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 1lnw h LEU 28 Cb 1.29 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1lnw h LEU 28 CO 0.13 0.96 -0.25 0.44 0.09 0.00 0.00 178.44 179.80 1lnw h ASP 29 N 0.70 0.00 -0.31 -0.43 3.32 -1.11 -2.61 116.42 115.98 1lnw h ASP 29 Ca 0.11 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.03 1lnw h ASP 29 Cb 0.66 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1lnw h ASP 29 CO 0.05 0.25 -0.29 0.00 -1.72 0.00 0.00 179.24 177.53 1lnw n GLN 31 N -4.23 1.07 -4.21 0.00 1.13 -1.14 -4.90 117.38 105.10 1lnw n GLN 31 Ca -0.03 -0.11 -0.36 0.00 -1.94 0.00 0.00 57.00 54.56 1lnw n GLN 31 Cb 0.48 -1.22 -0.05 0.00 0.11 0.00 0.00 30.24 29.55 1lnw n GLN 31 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 1lnw n ARG 32 N -0.60 -0.87 0.03 -1.09 1.85 -0.75 -4.83 116.66 110.39 1lnw n ARG 32 Ca 0.11 0.11 0.13 0.00 -1.00 0.00 0.00 57.85 57.19 1lnw n ARG 32 Cb 0.07 -3.30 0.35 0.00 -1.05 0.00 0.00 32.46 28.53 1lnw n ARG 32 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1lnw n LEU 33 N -4.73 0.44 -3.91 2.89 4.77 -1.02 -4.94 117.00 110.49 1lnw n LEU 33 Ca -0.25 0.26 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 1lnw n LEU 33 Cb 0.65 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 41.44 1lnw n LEU 33 CO 0.81 0.02 -0.05 -0.67 -1.33 0.00 0.00 177.39 176.16 1lnw n ASP 34 N -1.72 -2.39 -4.26 -1.43 -0.08 -1.26 -4.97 116.55 100.44 1lnw n ASP 34 Ca 0.05 -0.88 -0.23 0.00 -1.51 0.00 0.00 54.79 52.22 1lnw n ASP 34 Cb 0.37 -3.55 -0.12 0.00 2.34 0.00 0.00 41.12 40.15 1lnw n ASP 34 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1lnw s LEU 35 N -7.03 2.28 0.30 -2.67 1.43 -1.26 -5.13 118.68 106.59 1lnw s LEU 35 Ca 0.32 -0.65 0.07 0.00 -1.03 0.00 0.00 54.13 52.83 1lnw s LEU 35 Cb -0.16 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 45.23 1lnw s LEU 35 CO 0.85 0.04 0.32 0.42 0.23 0.00 0.00 176.35 178.21 1lnw s THR 36 N -1.15 4.22 0.35 5.49 -4.23 -1.26 -4.82 115.64 114.24 1lnw s THR 36 Ca 0.05 -1.22 0.08 0.00 -1.18 0.00 0.00 61.69 59.41 1lnw s THR 36 Cb -0.10 -3.42 0.32 0.00 1.34 0.00 0.00 72.50 70.64 1lnw s THR 36 CO 0.04 -0.25 1.88 -0.65 -0.54 0.00 0.00 174.62 175.10 1lnw h PRO 37 N 1.22 0.70 -0.79 3.99 0.11 -1.96 -0.53 132.00 134.73 1lnw h PRO 37 Ca -0.47 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 1lnw h PRO 37 Cb 1.25 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 1lnw h PRO 37 CO 0.58 0.46 0.36 -1.35 -0.21 0.00 0.00 178.00 177.84 1lnw h PRO 38 N 0.72 1.16 -0.39 1.05 0.11 -1.99 -0.94 132.00 131.73 1lnw h PRO 38 Ca 0.44 -0.19 0.00 0.00 0.11 0.00 0.00 66.00 66.36 1lnw h PRO 38 Cb 0.66 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 1lnw h PRO 38 CO -0.20 0.92 0.25 -0.44 -0.21 0.00 0.00 178.00 178.31 1lnw h ASP 39 N 1.14 0.46 -0.78 -2.05 3.32 -1.51 -0.56 116.42 116.44 1lnw h ASP 39 Ca 0.27 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.32 1lnw h ASP 39 Cb 0.16 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 1lnw h ASP 39 CO -0.03 0.35 0.50 0.58 -1.72 0.00 0.00 179.24 178.92 1lnw h VAL 40 N 0.52 1.13 -0.96 -1.35 2.07 -1.07 -1.91 116.25 114.68 1lnw h VAL 40 Ca 0.14 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1lnw h VAL 40 Cb -0.03 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 29.76 1lnw h VAL 40 CO -0.03 0.18 0.61 -0.74 0.02 0.00 0.00 177.57 177.60 1lnw h HIS 41 N 0.98 1.24 0.06 1.57 -0.00 -0.44 -1.70 115.15 116.85 1lnw h HIS 41 Ca 0.31 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.69 1lnw h HIS 41 Cb -0.00 -0.41 0.00 0.00 -0.00 0.00 0.00 27.41 26.99 1lnw h HIS 41 CO -0.03 0.80 -0.03 0.28 -0.00 0.00 0.00 177.93 178.96 1lnw h VAL 42 N 1.31 1.08 -0.87 5.26 2.07 -0.39 -1.01 116.25 123.70 1lnw h VAL 42 Ca 0.35 -0.45 0.07 0.00 0.82 0.00 0.00 66.70 67.49 1lnw h VAL 42 Cb -0.10 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 1lnw h VAL 42 CO -0.07 0.11 0.57 -0.07 0.02 0.00 0.00 177.57 178.13 1lnw h LEU 43 N -0.27 0.85 -0.14 2.57 3.38 -1.20 0.35 115.31 120.85 1lnw h LEU 43 Ca -0.01 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1lnw h LEU 43 Cb 0.24 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1lnw h LEU 43 CO 0.01 0.54 0.01 0.50 0.09 0.00 0.00 178.44 179.60 1lnw h LYS 44 N 0.96 0.24 -0.64 1.13 3.64 -1.11 0.13 116.57 120.92 1lnw h LYS 44 Ca 0.38 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.64 1lnw h LYS 44 Cb 0.24 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1lnw h LYS 44 CO -0.14 0.44 0.20 -0.07 -2.27 0.00 0.00 179.45 177.61 1lnw h LEU 45 N 0.00 0.94 0.10 5.20 3.38 -0.67 0.14 115.31 124.40 1lnw h LEU 45 Ca 0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1lnw h LEU 45 Cb 0.33 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1lnw h LEU 45 CO 0.00 0.90 -0.05 0.40 0.09 0.00 0.00 178.44 179.78 1lnw h ILE 46 N 0.93 0.99 -0.66 1.22 2.04 -0.86 -1.26 117.51 119.90 1lnw h ILE 46 Ca 0.21 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.75 1lnw h ILE 46 Cb 0.29 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 1lnw h ILE 46 CO -0.01 0.08 0.44 -0.78 0.00 0.00 0.00 178.15 177.88 1lnw h ASP 47 N -0.28 0.76 -0.13 1.72 1.82 -0.83 -2.94 116.42 116.54 1lnw h ASP 47 Ca -0.01 -0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.58 1lnw h ASP 47 Cb 0.24 -0.19 -0.00 0.00 0.68 0.00 0.00 39.33 40.05 1lnw h ASP 47 CO 0.02 0.55 -0.04 -0.08 -1.61 0.00 0.00 179.24 178.08 1lnw h GLU 48 N 0.89 0.25 -3.33 0.28 4.81 -0.55 -3.38 114.58 113.55 1lnw h GLU 48 Ca 0.25 -0.10 -0.68 0.00 -0.13 0.00 0.00 59.36 58.69 1lnw h GLU 48 Cb -0.09 -0.01 -0.37 0.00 0.63 0.00 0.00 28.75 28.91 1lnw h GLU 48 CO -0.05 0.55 -0.28 -0.65 -0.73 0.00 0.00 179.01 177.85 1lnw s GLN 49 N -4.71 2.89 0.19 1.92 -0.21 -0.49 -5.08 119.66 114.17 1lnw s GLN 49 Ca -0.14 -3.09 -0.31 0.00 0.02 0.00 0.00 55.36 51.84 1lnw s GLN 49 Cb 0.05 -3.77 -0.16 0.00 1.00 0.00 0.00 33.01 30.13 1lnw s GLN 49 CO 0.72 -1.24 0.89 -2.13 -2.12 0.00 0.00 175.29 171.41 1lnw n ARG 50 N 2.57 0.67 -0.98 2.91 0.63 -1.22 -0.78 116.66 120.46 1lnw n ARG 50 Ca 0.17 0.24 0.00 0.00 -0.92 0.00 0.00 57.85 57.34 1lnw n ARG 50 Cb 0.37 -1.53 0.00 0.00 0.45 0.00 0.00 32.46 31.74 1lnw n ARG 50 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1lnw n GLY 51 N 1.75 0.33 3.55 5.14 0.00 -1.19 -4.94 105.19 109.83 1lnw n GLY 51 Ca 0.15 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.65 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 1.03 -4.90 0.99 7.94 0.04 -4.01 117.00 118.10 1lnw n LEU 52 Ca 0.00 1.14 -0.29 0.00 -1.11 0.00 0.00 56.01 55.75 1lnw n LEU 52 Cb 0.18 -1.13 -0.02 0.00 0.53 0.00 0.00 43.42 42.98 1lnw n LEU 52 CO 0.00 -1.48 0.35 0.21 -1.11 0.00 0.00 177.39 175.36 1lnw s ASN 53 N 0.07 6.42 0.20 1.96 3.84 -1.26 0.08 114.94 126.24 1lnw s ASN 53 Ca 0.80 0.92 -0.11 0.00 0.21 0.00 0.00 52.86 54.67 1lnw s ASN 53 Cb -0.98 -2.23 0.18 0.00 -0.55 0.00 0.00 41.25 37.67 1lnw s ASN 53 CO 0.52 -0.37 1.81 0.25 -2.79 0.00 0.00 177.10 176.52 1lnw h LEU 54 N 1.10 0.55 -1.24 3.21 5.85 -1.85 -0.71 115.31 122.22 1lnw h LEU 54 Ca -0.47 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.28 1lnw h LEU 54 Cb 1.19 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 1lnw h LEU 54 CO 0.64 0.37 0.52 -0.61 -0.34 0.00 0.00 178.44 179.02 1lnw h GLN 55 N 0.68 1.00 0.07 1.25 -0.00 -1.94 -1.24 115.11 114.92 1lnw h GLN 55 Ca 0.26 -0.06 -0.27 0.00 -0.00 0.00 0.00 58.65 58.58 1lnw h GLN 55 Cb 0.10 -0.23 0.03 0.00 0.00 0.00 0.00 27.48 27.38 1lnw h GLN 55 CO -0.14 0.66 -1.10 -0.44 0.00 0.00 0.00 178.83 177.81 1lnw h ASP 56 N 1.03 0.85 -0.93 -0.69 3.32 -1.85 -2.50 116.42 115.65 1lnw h ASP 56 Ca 0.30 -0.79 0.07 0.00 0.02 0.00 0.00 57.03 56.62 1lnw h ASP 56 Cb -0.06 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 39.16 1lnw h ASP 56 CO -0.07 1.55 0.59 0.25 -1.72 0.00 0.00 179.24 179.83 1lnw h LEU 57 N 0.26 0.93 -0.95 1.55 5.85 -0.86 0.21 115.31 122.30 1lnw h LEU 57 Ca -0.16 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.51 1lnw h LEU 57 Cb 1.78 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.60 1lnw h LEU 57 CO 0.21 0.59 0.03 1.23 -0.34 0.00 0.00 178.44 180.16 1lnw h GLY 58 N 1.06 0.86 0.73 3.75 0.00 -1.21 -2.93 103.07 105.33 1lnw h GLY 58 Ca 0.40 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 1lnw h GLY 58 CO -0.18 0.52 -0.14 -0.09 0.00 0.00 0.00 176.54 176.65 1lnw h ARG 59 N 0.76 0.33 -1.41 4.80 9.65 -0.72 -0.54 114.38 127.25 1lnw h ARG 59 Ca 0.15 -0.18 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1lnw h ARG 59 Cb 0.41 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.00 1lnw h ARG 59 CO 0.01 0.73 0.00 1.04 2.80 0.00 0.00 179.97 184.56 1lnw n GLN 60 N -4.57 0.18 -2.66 0.20 6.02 0.60 -4.72 117.38 112.43 1lnw n GLN 60 Ca -0.06 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.89 1lnw n GLN 60 Cb 0.36 -1.33 0.04 0.00 1.02 0.00 0.00 30.24 30.33 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 0.04 0.09 0.93 0.00 1.81 -0.64 -5.15 118.95 116.04 1lnw s ARG 63 Ca 0.10 -0.13 -0.11 0.00 -1.72 0.00 0.00 55.73 53.88 1lnw s ARG 63 Cb 0.16 -0.02 0.15 0.00 -0.45 0.00 0.00 34.95 34.80 1lnw s ARG 63 CO -0.09 0.00 1.12 0.16 -0.68 0.00 0.00 175.30 175.81 1lnw s ASP 64 N -0.28 2.86 0.16 0.23 -4.77 -1.26 -4.55 116.67 109.06 1lnw s ASP 64 Ca -0.03 2.01 -0.15 0.00 -3.30 0.00 0.00 52.55 51.08 1lnw s ASP 64 Cb -0.02 -2.50 0.03 0.00 -1.09 0.00 0.00 42.92 39.34 1lnw s ASP 64 CO -0.00 -3.11 1.81 0.50 0.70 0.00 0.00 175.17 175.07 1lnw h LYS 65 N -1.87 0.61 0.01 2.11 3.64 -1.95 -0.74 116.57 118.38 1lnw h LYS 65 Ca -0.46 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 58.89 1lnw h LYS 65 Cb 1.27 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 1lnw h LYS 65 CO 0.45 0.43 -0.12 0.00 -2.27 0.00 0.00 179.45 177.93 1lnw h ALA 66 N 1.15 -0.15 -0.17 5.00 0.00 -1.98 0.42 119.26 123.54 1lnw h ALA 66 Ca 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1lnw h ALA 66 Cb -0.04 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1lnw h ALA 66 CO -0.03 -0.62 0.07 1.25 0.00 0.00 0.00 179.25 179.92 1lnw h LEU 67 N -0.21 0.23 -0.56 0.00 6.46 -1.91 -1.85 115.31 117.47 1lnw h LEU 67 Ca 0.04 -0.16 -0.09 0.00 -0.12 0.00 0.00 57.88 57.55 1lnw h LEU 67 Cb 0.26 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.11 1lnw h LEU 67 CO -0.11 0.32 -0.02 0.40 -0.62 0.00 0.00 178.44 178.42 1lnw h ILE 68 N 0.12 1.27 -0.63 4.05 1.08 -0.96 -2.19 117.51 120.25 1lnw h ILE 68 Ca 0.06 -1.15 -0.03 0.00 -0.39 0.00 0.00 64.86 63.35 1lnw h ILE 68 Cb 0.16 0.89 -0.03 0.00 -3.07 0.00 0.00 36.82 34.77 1lnw h ILE 68 CO -0.01 0.41 0.26 0.74 -0.69 0.00 0.00 178.15 178.86 1lnw h THR 69 N 0.88 1.22 -0.26 -0.27 2.02 -0.10 -1.67 112.91 114.72 1lnw h THR 69 Ca 0.16 -0.68 -0.11 0.00 0.77 0.00 0.00 66.41 66.54 1lnw h THR 69 Cb 0.56 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1lnw h THR 69 CO 0.03 0.27 -0.31 -0.09 0.37 0.00 0.00 175.52 175.80 1lnw h ARG 70 N 0.90 0.54 -0.29 6.66 2.43 -1.05 -1.44 114.38 122.14 1lnw h ARG 70 Ca 0.21 -0.23 -0.12 0.00 -0.81 0.00 0.00 59.98 59.04 1lnw h ARG 70 Cb 0.17 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1lnw h ARG 70 CO -0.02 0.79 -0.30 -0.22 -1.51 0.00 0.00 179.97 178.70 1lnw h LYS 71 N 0.46 0.60 -0.42 0.20 1.63 -0.83 -1.08 116.57 117.14 1lnw h LYS 71 Ca 0.06 -0.26 -0.07 0.00 -0.85 0.00 0.00 60.65 59.52 1lnw h LYS 71 Cb 0.76 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.36 1lnw h LYS 71 CO 0.06 0.84 -0.02 0.82 -3.45 0.00 0.00 179.45 177.69 1lnw h ILE 72 N 0.52 1.26 -0.58 2.00 1.08 -0.96 -1.43 117.51 119.40 1lnw h ILE 72 Ca 0.06 -1.07 0.02 0.00 -0.39 0.00 0.00 64.86 63.49 1lnw h ILE 72 Cb 0.78 1.12 -0.04 0.00 -3.07 0.00 0.00 36.82 35.61 1lnw h ILE 72 CO 0.06 0.36 0.36 -0.09 -0.69 0.00 0.00 178.15 178.15 1lnw h ARG 73 N 0.59 0.68 -0.21 2.37 2.43 -1.06 0.19 114.38 119.38 1lnw h ARG 73 Ca 0.12 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.29 1lnw h ARG 73 Cb 0.52 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.88 1lnw h ARG 73 CO 0.03 0.45 -0.04 1.49 -1.51 0.00 0.00 179.97 180.38 1lnw h GLU 74 N 0.71 0.01 -0.12 0.20 4.81 -0.94 -0.13 114.58 119.12 1lnw h GLU 74 Ca 0.23 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.41 1lnw h GLU 74 Cb 0.01 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1lnw h GLU 74 CO -0.09 0.01 -0.14 -0.07 -0.73 0.00 0.00 179.01 177.99 1lnw h LEU 75 N 0.01 0.18 -0.07 1.64 3.38 -0.41 -2.64 115.31 117.39 1lnw h LEU 75 Ca 0.10 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1lnw h LEU 75 Cb 0.15 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1lnw h LEU 75 CO -0.21 0.34 0.02 -0.33 0.09 0.00 0.00 178.44 178.35 1lnw h GLU 76 N 0.18 0.10 -0.43 1.13 5.08 0.53 -1.51 114.58 119.66 1lnw h GLU 76 Ca 0.04 -0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.50 1lnw h GLU 76 Cb 0.36 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1lnw h GLU 76 CO 0.02 0.26 0.35 0.78 -1.00 0.00 0.00 179.01 179.43 1lnw h GLY 77 N -0.08 0.00 -1.46 -3.84 0.00 -0.72 0.56 103.07 97.54 1lnw h GLY 77 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1lnw h GLY 77 CO -0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 1lnw n ARG 78 N -4.16 1.98 -2.87 4.80 1.74 -0.95 -4.93 116.66 112.27 1lnw n ARG 78 Ca 0.08 -1.51 -0.22 0.00 -0.77 0.00 0.00 57.85 55.42 1lnw n ARG 78 Cb 0.55 -1.37 0.02 0.00 -1.02 0.00 0.00 32.46 30.64 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 0.72 -6.03 -0.09 0.55 5.15 0.20 -4.90 115.26 110.86 1lnw n ASN 79 Ca 0.16 -0.22 -0.09 0.00 -0.60 0.00 0.00 54.58 53.83 1lnw n ASN 79 Cb 0.38 -4.91 -0.16 0.00 -0.53 0.00 0.00 39.78 34.56 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 -3.78 0.00 -4.14 1.20 4.77 -0.61 -4.19 117.00 110.25 1lnw n LEU 80 Ca -0.14 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.74 1lnw n LEU 80 Cb 0.64 0.47 -0.10 0.00 -2.33 0.00 0.00 43.42 42.09 1lnw n LEU 80 CO 0.43 0.47 -0.36 0.68 -1.33 0.00 0.00 177.39 177.27 1lnw s VAL 81 N -2.54 0.45 -0.02 4.08 -7.23 -1.23 -1.72 120.40 112.20 1lnw s VAL 81 Ca -0.10 -1.89 0.00 0.00 -1.81 0.00 0.00 61.98 58.19 1lnw s VAL 81 Cb 0.06 -1.68 0.02 0.00 0.56 0.00 0.00 36.38 35.34 1lnw s VAL 81 CO 0.82 -0.86 0.01 0.00 -0.31 0.00 0.00 175.10 174.76 1lnw s ARG 82 N -3.89 0.11 0.16 4.82 1.70 -0.10 -4.20 118.95 117.55 1lnw s ARG 82 Ca 0.12 0.07 -0.20 0.00 -0.47 0.00 0.00 55.73 55.25 1lnw s ARG 82 Cb 0.07 -0.26 -0.08 0.00 -0.57 0.00 0.00 34.95 34.11 1lnw s ARG 82 CO -0.06 -0.08 0.67 1.03 -1.08 0.00 0.00 175.30 175.78 1lnw s ARG 83 N 0.63 4.26 -0.05 3.89 0.52 -1.26 -2.05 118.95 124.88 1lnw s ARG 83 Ca -0.06 0.83 -0.02 0.00 -0.52 0.00 0.00 55.73 55.96 1lnw s ARG 83 Cb -0.08 -3.06 0.03 0.00 0.52 0.00 0.00 34.95 32.36 1lnw s ARG 83 CO -0.01 0.51 0.07 -2.00 0.02 0.00 0.00 175.30 173.88 1lnw s GLU 84 N -1.58 -0.06 -0.13 3.54 2.12 0.43 -4.95 118.70 118.07 1lnw s GLU 84 Ca 0.37 0.35 -0.37 0.00 0.36 0.00 0.00 54.97 55.68 1lnw s GLU 84 Cb -0.18 -0.61 -0.14 0.00 0.26 0.00 0.00 34.13 33.45 1lnw s GLU 84 CO 0.21 -0.36 1.74 -2.13 -0.54 0.00 0.00 175.26 174.19 1lnw n ARG 85 N 5.30 1.64 -1.99 4.30 0.00 -1.26 0.24 116.66 124.89 1lnw n ARG 85 Ca -0.03 0.60 -0.43 0.00 -0.00 0.00 0.00 57.85 57.99 1lnw n ARG 85 Cb 0.50 -2.35 -0.03 0.00 0.00 0.00 0.00 32.46 30.58 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 3.21 6.17 0.47 6.15 3.84 0.79 -4.82 114.94 130.76 1lnw s ASN 86 Ca 0.93 1.68 0.24 0.00 0.21 0.00 0.00 52.86 55.91 1lnw s ASN 86 Cb -0.88 -2.53 1.19 0.00 -0.55 0.00 0.00 41.25 38.48 1lnw s ASN 86 CO 0.56 -1.42 1.97 1.55 -2.79 0.00 0.00 177.10 176.97 1lnw h PRO 87 N 11.69 0.00 0.40 0.43 0.13 -1.89 0.19 132.00 142.95 1lnw h PRO 87 Ca -0.36 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.75 1lnw h PRO 87 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1lnw h PRO 87 CO 1.00 0.19 -0.19 1.03 -0.23 0.00 0.00 178.00 179.80 1lnw h SER 88 N 0.00 -0.45 0.65 1.44 0.87 -1.98 -3.32 113.55 110.75 1lnw h SER 88 Ca -0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1lnw h SER 88 Cb 0.49 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 1lnw h SER 88 CO 0.03 -0.15 -0.27 -0.90 -0.53 0.00 0.00 176.83 175.01 1lnw n ASP 89 N -4.40 0.34 -1.41 6.23 3.85 -1.24 -4.92 116.55 115.00 1lnw n ASP 89 Ca -0.07 -0.06 -0.13 0.00 -0.71 0.00 0.00 54.79 53.83 1lnw n ASP 89 Cb 0.21 -0.06 -0.05 0.00 -1.35 0.00 0.00 41.12 39.87 1lnw n ASP 89 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1lnw n GLN 90 N -1.40 -1.32 0.04 0.11 6.02 0.65 -4.71 117.38 116.77 1lnw n GLN 90 Ca 0.07 0.73 0.00 0.00 -0.01 0.00 0.00 57.00 57.80 1lnw n GLN 90 Cb 0.33 -4.98 0.00 0.00 1.02 0.00 0.00 30.24 26.61 1lnw n GLN 90 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1lnw n ARG 91 N -1.87 0.00 -2.09 -1.09 1.74 -1.25 -4.95 116.66 107.14 1lnw n ARG 91 Ca -0.13 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.68 1lnw n ARG 91 Cb 0.42 -0.42 0.06 0.00 -1.02 0.00 0.00 32.46 31.51 1lnw n ARG 91 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1lnw s SER 92 N -5.45 5.00 -0.24 0.55 1.04 -1.26 -4.87 113.70 108.47 1lnw s SER 92 Ca 0.00 0.73 -0.01 0.00 0.48 0.00 0.00 55.95 57.14 1lnw s SER 92 Cb 0.00 -1.43 0.02 0.00 0.10 0.00 0.00 66.02 64.72 1lnw s SER 92 CO 0.00 -1.53 -0.08 -0.36 0.98 0.00 0.00 173.24 172.25 1lnw s PHE 93 N -3.31 3.04 0.41 5.02 0.40 -1.26 -0.15 117.98 122.13 1lnw s PHE 93 Ca 0.59 -1.56 -0.24 0.00 -0.60 0.00 0.00 56.93 55.12 1lnw s PHE 93 Cb -0.11 -2.04 -0.09 0.00 0.51 0.00 0.00 43.02 41.29 1lnw s PHE 93 CO 0.47 -0.73 1.06 -0.65 0.70 0.00 0.00 175.22 176.07 1lnw s GLN 94 N 1.32 4.10 -0.09 0.44 -0.21 0.14 -2.49 119.66 122.86 1lnw s GLN 94 Ca 0.01 1.53 0.01 0.00 0.02 0.00 0.00 55.36 56.93 1lnw s GLN 94 Cb -0.16 -2.50 -0.02 0.00 1.00 0.00 0.00 33.01 31.32 1lnw s GLN 94 CO -0.05 -0.20 -0.12 -0.51 -2.12 0.00 0.00 175.29 172.29 1lnw s LEU 95 N -2.73 2.85 0.06 2.90 1.43 0.11 -0.43 118.68 122.87 1lnw s LEU 95 Ca 0.59 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.50 1lnw s LEU 95 Cb -0.22 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 1lnw s LEU 95 CO 0.28 0.26 -0.07 -0.36 0.23 0.00 0.00 176.35 176.69 1lnw s PHE 96 N -0.21 0.72 0.27 0.29 0.40 -0.87 -3.15 117.98 115.43 1lnw s PHE 96 Ca 0.01 -0.65 -0.12 0.00 -0.60 0.00 0.00 56.93 55.58 1lnw s PHE 96 Cb -0.13 -0.43 -0.08 0.00 0.51 0.00 0.00 43.02 42.89 1lnw s PHE 96 CO 0.03 -0.12 0.63 -0.51 0.70 0.00 0.00 175.22 175.95 1lnw s LEU 97 N -2.07 4.12 0.74 -0.37 1.43 -1.26 -0.92 118.68 120.34 1lnw s LEU 97 Ca -0.03 1.07 -0.03 0.00 -1.03 0.00 0.00 54.13 54.11 1lnw s LEU 97 Cb -0.05 -3.85 0.12 0.00 0.03 0.00 0.00 46.19 42.44 1lnw s LEU 97 CO -0.02 -0.13 1.02 0.42 0.23 0.00 0.00 176.35 177.87 1lnw s THR 98 N -1.90 2.18 0.30 5.49 -4.23 -0.70 -4.81 115.64 111.97 1lnw s THR 98 Ca 0.50 -0.49 -0.01 0.00 -1.18 0.00 0.00 61.69 60.51 1lnw s THR 98 Cb -0.11 -2.69 0.27 0.00 1.34 0.00 0.00 72.50 71.31 1lnw s THR 98 CO 0.20 0.00 1.96 0.44 -0.54 0.00 0.00 174.62 176.68 1lnw h ASP 99 N -0.64 0.93 0.26 3.99 3.32 -1.89 -0.36 116.42 122.03 1lnw h ASP 99 Ca -0.39 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 56.48 1lnw h ASP 99 Cb 1.27 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1lnw h ASP 99 CO 0.43 0.66 -0.67 -0.08 -1.72 0.00 0.00 179.24 177.86 1lnw h GLU 100 N 1.09 0.37 -0.33 3.56 4.81 -1.90 -2.67 114.58 119.51 1lnw h GLU 100 Ca 0.32 -0.28 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 1lnw h GLU 100 Cb -0.05 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1lnw h GLU 100 CO -0.08 0.91 -0.06 0.78 -0.73 0.00 0.00 179.01 179.83 1lnw h GLY 101 N 1.32 0.67 1.00 1.92 0.00 -1.43 0.37 103.07 106.92 1lnw h GLY 101 Ca -0.02 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 1lnw h GLY 101 CO 0.11 0.49 0.36 -2.00 0.00 0.00 0.00 176.54 175.51 1lnw h LEU 102 N 0.41 0.80 0.55 3.11 5.85 -1.12 0.75 115.31 125.65 1lnw h LEU 102 Ca 0.09 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1lnw h LEU 102 Cb 0.54 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1lnw h LEU 102 CO 0.03 0.65 -0.28 0.00 -0.34 0.00 0.00 178.44 178.50 1lnw h ALA 103 N 1.18 -0.77 -0.32 1.25 0.00 -1.29 -0.16 119.26 119.15 1lnw h ALA 103 Ca 0.23 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1lnw h ALA 103 Cb 0.02 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1lnw h ALA 103 CO -0.04 -0.93 0.20 0.82 0.00 0.00 0.00 179.25 179.29 1lnw h ILE 104 N -0.76 1.09 -0.26 0.00 2.04 -0.75 -1.53 117.51 117.34 1lnw h ILE 104 Ca -0.07 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 1lnw h ILE 104 Cb 0.60 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1lnw h ILE 104 CO 0.11 0.09 -0.02 -0.74 0.00 0.00 0.00 178.15 177.59 1lnw h HIS 105 N 0.43 0.52 -0.37 1.37 2.76 -0.55 0.75 115.15 120.07 1lnw h HIS 105 Ca 0.12 -0.10 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 1lnw h HIS 105 Cb -0.02 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 1lnw h HIS 105 CO 0.00 0.65 0.17 1.96 -1.30 0.00 0.00 177.93 179.40 1lnw h GLN 106 N 0.24 0.54 -0.31 5.26 4.20 -0.46 0.26 115.11 124.83 1lnw h GLN 106 Ca 0.07 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 1lnw h GLN 106 Cb 0.45 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1lnw h GLN 106 CO 0.02 0.49 0.04 1.25 -0.67 0.00 0.00 178.83 179.97 1lnw h HIS 107 N 0.45 0.56 -0.67 2.96 2.76 -1.27 -2.00 115.15 117.95 1lnw h HIS 107 Ca 0.12 -0.08 0.01 0.00 -2.20 0.00 0.00 60.37 58.23 1lnw h HIS 107 Cb 0.14 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 28.91 1lnw h HIS 107 CO -0.01 0.61 0.44 0.00 -1.30 0.00 0.00 177.93 177.67 1lnw h ALA 108 N 0.88 0.85 -0.49 5.26 0.00 -0.61 -1.01 119.26 124.14 1lnw h ALA 108 Ca 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1lnw h ALA 108 Cb 0.36 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1lnw h ALA 108 CO 0.01 0.25 0.20 1.49 0.00 0.00 0.00 179.25 181.19 1lnw h GLU 109 N 0.88 0.71 -0.33 0.00 4.57 -0.34 -2.45 114.58 117.62 1lnw h GLU 109 Ca 0.25 -0.10 -0.09 0.00 -1.18 0.00 0.00 59.36 58.24 1lnw h GLU 109 Cb -0.07 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.38 1lnw h GLU 109 CO -0.07 0.58 -0.14 0.00 -1.18 0.00 0.00 179.01 178.21 1lnw h ALA 110 N 1.52 0.46 0.00 2.92 0.00 -0.57 -1.04 119.26 122.55 1lnw h ALA 110 Ca 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1lnw h ALA 110 Cb 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1lnw h ALA 110 CO -0.02 0.35 0.00 -0.89 0.00 0.00 0.00 179.25 178.70 1lnw n ILE 111 N -4.37 0.02 0.00 0.00 5.41 -0.46 -2.48 119.36 117.47 1lnw n ILE 111 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.72 1lnw n ILE 111 Cb 0.37 -0.32 0.00 0.00 -0.71 0.00 0.00 39.64 38.98 1lnw n ILE 111 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1lnw n SER 113 N 0.80 0.00 -0.21 4.38 7.64 -0.40 -1.78 113.62 124.05 1lnw n SER 113 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 1lnw n SER 113 Cb 0.01 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.23 1lnw n SER 113 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1lnw h ARG 114 N 0.00 1.02 -0.84 1.43 2.43 -1.77 -2.05 114.38 114.61 1lnw h ARG 114 Ca 0.00 -0.30 -0.04 0.00 -0.81 0.00 0.00 59.98 58.84 1lnw h ARG 114 Cb 0.00 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 1lnw h ARG 114 CO 0.00 0.98 0.39 0.28 -1.51 0.00 0.00 179.97 180.11 1lnw h VAL 115 N 0.92 1.26 -0.74 0.20 2.07 -1.63 -1.79 116.25 116.55 1lnw h VAL 115 Ca 0.18 -0.75 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 1lnw h VAL 115 Cb 0.48 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1lnw h VAL 115 CO 0.02 0.32 0.32 0.45 0.02 0.00 0.00 177.57 178.70 1lnw h HIS 116 N 1.20 1.09 -0.27 1.57 3.86 -1.78 -1.33 115.15 119.50 1lnw h HIS 116 Ca 0.29 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 1lnw h HIS 116 Cb 0.14 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 1lnw h HIS 116 CO 0.02 0.82 0.17 -0.44 0.86 0.00 0.00 177.93 179.35 1lnw h ASP 117 N 1.07 0.31 -0.66 2.45 3.32 -0.71 -1.76 116.42 120.44 1lnw h ASP 117 Ca 0.25 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 1lnw h ASP 117 Cb 0.16 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1lnw h ASP 117 CO -0.03 0.23 0.41 -0.08 -1.72 0.00 0.00 179.24 178.06 1lnw h GLU 118 N 0.36 0.88 -0.42 3.56 4.81 -0.95 -0.03 114.58 122.79 1lnw h GLU 118 Ca 0.10 -0.07 -0.09 0.00 -0.13 0.00 0.00 59.36 59.17 1lnw h GLU 118 Cb -0.03 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 1lnw h GLU 118 CO -0.02 0.62 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.72 1lnw h LEU 119 N 0.89 0.79 -0.06 1.64 3.38 -1.01 -3.36 115.31 117.58 1lnw h LEU 119 Ca 0.24 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1lnw h LEU 119 Cb -0.05 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.49 1lnw h LEU 119 CO -0.05 0.96 -0.70 0.49 0.09 0.00 0.00 178.44 179.23 1lnw n PHE 120 N -4.33 0.00 -0.15 1.13 0.99 -0.68 -4.51 117.46 109.90 1lnw n PHE 120 Ca -0.01 0.00 0.16 0.00 -0.00 0.00 0.00 57.45 57.60 1lnw n PHE 120 Cb 0.35 0.00 0.52 0.00 -1.00 0.00 0.00 39.48 39.35 1lnw n PHE 120 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1lnw h ALA 121 N 2.23 2.14 0.00 4.37 0.00 -1.14 0.10 119.26 126.95 1lnw h ALA 121 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1lnw h ALA 121 Cb 0.38 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1lnw h ALA 121 CO 0.00 -0.33 0.00 -0.35 0.00 0.00 0.00 179.25 178.57 1lnw n PRO 122 N -4.47 0.27 -4.02 0.00 -0.04 -1.26 -4.59 135.00 120.90 1lnw n PRO 122 Ca 0.14 0.11 -0.35 0.00 -0.04 0.00 0.00 63.50 63.36 1lnw n PRO 122 Cb 0.52 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 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 -2.44 4.00 0.77 1.53 1.02 0.35 -5.10 118.68 118.83 1lnw s LEU 123 Ca 0.16 0.25 -0.11 0.00 0.02 0.00 0.00 54.13 54.45 1lnw s LEU 123 Cb 0.10 -1.98 0.06 0.00 0.02 0.00 0.00 46.19 44.39 1lnw s LEU 123 CO 0.21 0.30 1.08 0.42 0.02 0.00 0.00 176.35 178.39 1lnw s THR 124 N -0.41 3.37 0.42 5.49 -4.23 -1.26 -4.76 115.64 114.26 1lnw s THR 124 Ca 0.10 0.45 0.13 0.00 -1.18 0.00 0.00 61.69 61.19 1lnw s THR 124 Cb -0.12 -3.01 0.33 0.00 1.34 0.00 0.00 72.50 71.04 1lnw s THR 124 CO 0.02 -0.58 1.96 -0.65 -0.54 0.00 0.00 174.62 174.83 1lnw h PRO 125 N -1.09 0.44 -0.33 3.99 0.11 -1.95 -0.58 132.00 132.60 1lnw h PRO 125 Ca -0.45 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 1lnw h PRO 125 Cb 1.24 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1lnw h PRO 125 CO 0.54 0.29 -0.26 0.28 -0.21 0.00 0.00 178.00 178.64 1lnw h VAL 126 N 0.46 1.29 -0.48 3.15 2.07 -1.99 -1.84 116.25 118.90 1lnw h VAL 126 Ca 0.30 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.38 1lnw h VAL 126 Cb 0.58 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1lnw h VAL 126 CO -0.09 0.46 0.18 -0.33 0.02 0.00 0.00 177.57 177.81 1lnw h GLU 127 N 0.53 0.73 -0.48 1.57 5.08 -1.70 -0.48 114.58 119.85 1lnw h GLU 127 Ca 0.06 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1lnw h GLU 127 Cb 0.83 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1lnw h GLU 127 CO 0.07 0.67 0.28 1.96 -1.00 0.00 0.00 179.01 180.99 1lnw h GLN 128 N 0.64 0.54 -0.48 2.33 4.20 -1.06 0.95 115.11 122.24 1lnw h GLN 128 Ca 0.16 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.76 1lnw h GLN 128 Cb 0.22 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1lnw h GLN 128 CO -0.01 0.36 -0.03 0.00 -0.67 0.00 0.00 178.83 178.48 1lnw h ALA 129 N 1.21 1.05 -0.50 3.87 0.00 -1.07 -1.56 119.26 122.26 1lnw h ALA 129 Ca 0.19 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 1lnw h ALA 129 Cb 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1lnw h ALA 129 CO -0.09 0.59 0.13 1.15 0.00 0.00 0.00 179.25 181.03 1lnw h THR 130 N 0.76 1.24 -0.79 0.00 2.02 -0.47 -1.47 112.91 114.18 1lnw h THR 130 Ca 0.14 -0.82 -0.03 0.00 0.77 0.00 0.00 66.41 66.47 1lnw h THR 130 Cb 0.50 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 1lnw h THR 130 CO 0.03 0.30 0.38 0.25 0.37 0.00 0.00 175.52 176.85 1lnw h LEU 131 N 0.68 1.04 -0.46 2.58 5.85 -0.53 -0.87 115.31 123.60 1lnw h LEU 131 Ca 0.16 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1lnw h LEU 131 Cb 0.32 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1lnw h LEU 131 CO -0.00 0.88 0.22 0.58 -0.34 0.00 0.00 178.44 179.78 1lnw h VAL 132 N 1.12 1.18 -0.69 1.05 2.07 -1.02 -1.71 116.25 118.26 1lnw h VAL 132 Ca 0.27 -0.52 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 1lnw h VAL 132 Cb 0.11 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1lnw h VAL 132 CO -0.03 0.20 0.13 -0.74 0.02 0.00 0.00 177.57 177.15 1lnw h HIS 133 N 0.61 1.20 -0.28 1.57 -0.00 -0.90 -1.60 115.15 115.75 1lnw h HIS 133 Ca 0.16 -0.16 -0.08 0.00 -0.00 0.00 0.00 60.37 60.29 1lnw h HIS 133 Cb 0.12 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.19 1lnw h HIS 133 CO -0.01 0.99 -0.13 -0.07 -0.00 0.00 0.00 177.93 178.71 1lnw h LEU 134 N 1.06 0.59 -0.16 0.26 3.38 -1.07 -1.10 115.31 118.26 1lnw h LEU 134 Ca 0.21 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1lnw h LEU 134 Cb 0.42 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1lnw h LEU 134 CO 0.01 0.87 0.11 -0.07 0.09 0.00 0.00 178.44 179.45 1lnw h LEU 135 N 0.32 0.19 -1.25 1.67 3.38 -1.21 -2.01 115.31 116.40 1lnw h LEU 135 Ca 0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1lnw h LEU 135 Cb 0.65 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1lnw h LEU 135 CO 0.04 0.14 0.34 0.44 0.09 0.00 0.00 178.44 179.49 1lnw h ASP 136 N 0.22 0.76 -0.76 -0.43 3.32 -1.27 -1.93 116.42 116.33 1lnw h ASP 136 Ca 0.06 -0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.10 1lnw h ASP 136 Cb -0.02 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.28 1lnw h ASP 136 CO -0.01 0.62 0.46 1.56 -1.72 0.00 0.00 179.24 180.15 1lnw h GLN 137 N 0.87 0.84 -0.72 3.56 4.20 -0.54 0.60 115.11 123.92 1lnw h GLN 137 Ca 0.22 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 1lnw h GLN 137 Cb 0.02 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.58 1lnw h GLN 137 CO -0.04 0.56 0.33 0.00 -0.67 0.00 0.00 178.83 179.01 1lnw h LEU 139 N 1.01 0.15 0.00 0.00 4.07 -0.95 -3.52 115.31 116.08 1lnw h LEU 139 Ca 0.24 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.08 1lnw h LEU 139 Cb 0.15 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.84 1lnw h LEU 139 CO -0.03 0.91 0.00 0.00 -1.08 0.00 0.00 178.44 178.24