#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 3.17 0.42 3.10 1.51 -1.26 -4.99 117.35 119.29 1lnw s TYR 3 Ca 0.00 1.45 -0.25 0.00 -1.01 0.00 0.00 57.07 57.26 1lnw s TYR 3 Cb 0.00 -2.90 -0.08 0.00 -0.11 0.00 0.00 41.96 38.87 1lnw s TYR 3 CO 0.00 -0.99 1.22 -1.25 -1.11 0.00 0.00 175.55 173.42 1lnw s PRO 4 N -4.52 3.95 0.53 -1.71 0.04 -1.26 -5.00 135.00 127.04 1lnw s PRO 4 Ca 0.60 1.94 -0.05 0.00 0.04 0.00 0.00 61.00 63.53 1lnw s PRO 4 Cb -0.14 -2.65 -0.01 0.00 0.04 0.00 0.00 34.50 31.74 1lnw s PRO 4 CO 0.44 -0.44 0.83 0.54 0.04 0.00 0.00 177.00 178.41 1lnw s VAL 5 N -1.38 4.31 -0.13 -0.36 0.11 -1.26 -4.98 120.40 116.71 1lnw s VAL 5 Ca 0.58 0.07 -0.36 0.00 -2.93 0.00 0.00 61.98 59.34 1lnw s VAL 5 Cb -0.33 -3.66 -0.13 0.00 -1.53 0.00 0.00 36.38 30.73 1lnw s VAL 5 CO 0.42 -0.65 1.82 -3.20 -3.33 0.00 0.00 175.10 170.15 1lnw n ASN 6 N -2.39 3.07 0.23 3.54 4.05 -1.26 -4.82 115.26 117.69 1lnw n ASN 6 Ca 0.02 1.01 0.16 0.00 0.45 0.00 0.00 54.58 56.22 1lnw n ASN 6 Cb 0.56 -1.30 0.82 0.00 1.23 0.00 0.00 39.78 41.10 1lnw n ASN 6 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1lnw h PRO 7 N 8.37 0.00 -0.00 1.20 0.13 -2.04 -2.24 132.00 137.42 1lnw h PRO 7 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1lnw h PRO 7 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1lnw h PRO 7 CO 0.95 0.00 -0.65 -0.25 -0.23 0.00 0.00 178.00 177.81 1lnw n ASP 8 N -2.61 0.73 -0.19 1.44 8.00 -1.26 -4.54 116.55 118.12 1lnw n ASP 8 Ca -0.02 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 54.92 1lnw n ASP 8 Cb 0.08 0.50 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 1lnw n ASP 8 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1lnw n LEU 9 N -1.42 0.03 0.00 0.64 0.00 -0.85 -1.67 117.00 113.74 1lnw n LEU 9 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 56.01 56.05 1lnw n LEU 9 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 43.42 43.74 1lnw n LEU 9 CO 0.37 0.01 0.00 -0.81 0.00 0.00 0.00 177.39 176.96 1lnw n PRO 11 N -0.14 0.00 -0.04 1.96 -0.04 -1.26 -1.51 135.00 133.97 1lnw n PRO 11 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 1lnw n PRO 11 Cb 0.01 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.42 1lnw n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1lnw h ALA 12 N 0.00 0.21 0.00 0.55 0.00 -1.68 -0.88 119.26 117.47 1lnw h ALA 12 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1lnw h ALA 12 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1lnw h ALA 12 CO 0.00 -0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.33 1lnw n LEU 13 N -4.86 0.19 0.00 0.00 4.77 -0.57 -1.73 117.00 114.80 1lnw n LEU 13 Ca -0.04 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1lnw n LEU 13 Cb 0.12 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1lnw n LEU 13 CO 0.35 0.03 0.00 0.00 -1.33 0.00 0.00 177.39 176.44 1lnw n ALA 15 N 0.75 0.00 -0.21 -1.18 0.00 -0.33 -1.05 120.51 118.48 1lnw n ALA 15 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1lnw n ALA 15 Cb 0.03 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.52 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 1.18 -0.67 0.00 2.07 -1.59 -2.05 116.25 115.19 1lnw h VAL 16 Ca 0.00 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.15 1lnw h VAL 16 Cb 0.00 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 1lnw h VAL 16 CO 0.00 0.18 0.42 0.15 0.02 0.00 0.00 177.57 178.34 1lnw h PHE 17 N 0.81 0.80 -0.19 1.57 3.57 -1.37 -1.14 116.94 120.99 1lnw h PHE 17 Ca 0.22 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1lnw h PHE 17 Cb -0.02 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 1lnw h PHE 17 CO -0.02 0.47 0.12 0.37 -2.23 0.00 0.00 178.31 177.02 1lnw h GLN 18 N 0.84 0.26 0.26 1.11 5.75 -1.75 -0.85 115.11 120.73 1lnw h GLN 18 Ca 0.26 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.74 1lnw h GLN 18 Cb -0.02 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 1lnw h GLN 18 CO -0.09 0.20 -0.24 1.25 -2.65 0.00 0.00 178.83 177.30 1lnw h HIS 19 N 0.24 -0.62 -0.61 3.99 2.76 -1.01 -0.40 115.15 119.50 1lnw h HIS 19 Ca 0.07 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.28 1lnw h HIS 19 Cb 0.00 0.24 -0.04 0.00 1.55 0.00 0.00 27.41 29.16 1lnw h HIS 19 CO -0.06 -0.35 0.36 0.28 -1.30 0.00 0.00 177.93 176.86 1lnw h VAL 20 N -0.52 1.04 0.23 5.26 2.07 -1.15 -0.46 116.25 122.72 1lnw h VAL 20 Ca -0.01 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1lnw h VAL 20 Cb 0.47 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1lnw h VAL 20 CO -0.04 0.13 -0.14 -0.09 0.02 0.00 0.00 177.57 177.45 1lnw h ARG 21 N 0.70 -0.35 0.27 1.57 2.43 -0.92 -0.06 114.38 118.03 1lnw h ARG 21 Ca 0.25 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1lnw h ARG 21 Cb 0.07 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 1lnw h ARG 21 CO -0.12 -0.23 -0.52 1.15 -1.51 0.00 0.00 179.97 178.74 1lnw h THR 22 N -0.36 0.00 -0.96 0.20 2.02 -0.72 -1.06 112.91 112.03 1lnw h THR 22 Ca -0.02 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.29 1lnw h THR 22 Cb 0.30 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.62 1lnw h THR 22 CO 0.02 0.00 0.58 0.03 0.37 0.00 0.00 175.52 176.53 1lnw h ARG 23 N -0.85 0.85 0.37 6.66 2.47 -1.03 -0.88 114.38 121.98 1lnw h ARG 23 Ca -0.03 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.62 1lnw h ARG 23 Cb 0.80 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.93 1lnw h ARG 23 CO -0.20 0.56 -0.18 0.82 0.56 0.00 0.00 179.97 181.54 1lnw h ILE 24 N 0.88 0.64 -0.01 2.04 2.04 -0.57 -2.56 117.51 119.97 1lnw h ILE 24 Ca 0.50 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 66.23 1lnw h ILE 24 Cb 0.57 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1lnw h ILE 24 CO -0.30 0.03 -0.16 1.56 0.00 0.00 0.00 178.15 179.28 1lnw h GLN 25 N -0.58 -0.25 0.00 2.37 1.08 -0.76 0.05 115.11 117.02 1lnw h GLN 25 Ca -0.05 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1lnw h GLN 25 Cb 0.43 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1lnw h GLN 25 CO 0.08 -0.17 0.00 0.43 -0.95 0.00 0.00 178.83 178.23 1lnw n SER 26 N -5.29 0.00 0.21 1.46 7.64 -0.38 -0.85 113.62 116.41 1lnw n SER 26 Ca -0.05 0.95 0.18 0.00 1.01 0.00 0.00 58.87 60.96 1lnw n SER 26 Cb 0.21 -0.45 0.84 0.00 -1.01 0.00 0.00 64.21 63.80 1lnw n SER 26 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1lnw h GLU 27 N 0.00 0.00 0.00 1.43 5.08 -1.45 0.39 114.58 120.03 1lnw h GLU 27 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1lnw h GLU 27 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1lnw h GLU 27 CO 0.00 0.00 0.00 1.25 -1.00 0.00 0.00 179.01 179.26 1lnw h LEU 28 N 0.00 0.00 0.05 1.33 5.85 0.10 -2.88 115.31 119.77 1lnw h LEU 28 Ca 0.09 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.44 1lnw h LEU 28 Cb 0.64 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1lnw h LEU 28 CO -0.00 0.00 -2.22 0.47 -0.34 0.00 0.00 178.44 176.35 1lnw n ASP 29 N -2.57 1.81 -0.05 1.25 8.00 0.13 -1.86 116.55 123.27 1lnw n ASP 29 Ca 0.02 0.05 0.10 0.00 0.71 0.00 0.00 54.79 55.67 1lnw n ASP 29 Cb 0.28 -0.47 0.49 0.00 -0.02 0.00 0.00 41.12 41.40 1lnw n ASP 29 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lnw n GLN 31 N -4.47 1.43 -3.22 0.00 1.13 -1.10 -4.95 117.38 106.19 1lnw n GLN 31 Ca 0.08 -0.63 -0.07 0.00 -1.94 0.00 0.00 57.00 54.44 1lnw n GLN 31 Cb 0.30 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.16 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 -0.24 -1.47 -0.08 -1.09 1.74 0.30 -4.98 116.66 110.84 1lnw n ARG 32 Ca 0.21 1.38 -0.12 0.00 -0.77 0.00 0.00 57.85 58.55 1lnw n ARG 32 Cb 0.27 -4.87 -0.07 0.00 -1.02 0.00 0.00 32.46 26.78 1lnw n ARG 32 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1lnw n LEU 33 N -1.81 2.70 -0.86 0.55 4.77 -0.78 -5.02 117.00 116.55 1lnw n LEU 33 Ca -0.07 -0.04 -0.08 0.00 -0.03 0.00 0.00 56.01 55.79 1lnw n LEU 33 Cb 0.55 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1lnw n LEU 33 CO 0.55 0.70 -0.10 -0.67 -1.33 0.00 0.00 177.39 176.54 1lnw n ASP 34 N -3.07 -3.36 -4.62 -1.43 2.03 -1.26 -5.03 116.55 99.81 1lnw n ASP 34 Ca -0.28 0.07 -0.28 0.00 0.52 0.00 0.00 54.79 54.82 1lnw n ASP 34 Cb 0.78 -2.29 -0.09 0.00 -0.72 0.00 0.00 41.12 38.81 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 -2.26 3.19 0.20 -2.67 2.01 -1.26 -5.13 118.68 112.76 1lnw s LEU 35 Ca 0.00 -0.40 0.06 0.00 0.01 0.00 0.00 54.13 53.80 1lnw s LEU 35 Cb 0.00 -1.90 -0.04 0.00 0.01 0.00 0.00 46.19 44.26 1lnw s LEU 35 CO 0.00 0.13 0.13 0.42 1.01 0.00 0.00 176.35 178.03 1lnw s THR 36 N -1.52 4.27 0.29 5.49 -4.23 -1.26 -4.97 115.64 113.72 1lnw s THR 36 Ca 0.25 -1.31 0.03 0.00 -1.18 0.00 0.00 61.69 59.48 1lnw s THR 36 Cb -0.10 -3.23 0.31 0.00 1.34 0.00 0.00 72.50 70.82 1lnw s THR 36 CO 0.16 -0.22 1.66 -0.65 -0.54 0.00 0.00 174.62 175.04 1lnw h PRO 37 N 2.09 0.24 -0.98 3.99 0.11 -1.96 0.43 132.00 135.92 1lnw h PRO 37 Ca -0.48 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.70 1lnw h PRO 37 Cb 1.22 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.20 1lnw h PRO 37 CO 0.61 0.16 0.63 -1.35 -0.21 0.00 0.00 178.00 177.84 1lnw h PRO 38 N 0.25 1.08 -0.30 1.05 0.11 -2.00 -1.40 132.00 130.80 1lnw h PRO 38 Ca 0.57 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.61 1lnw h PRO 38 Cb 1.15 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1lnw h PRO 38 CO -0.63 0.71 0.16 -0.44 -0.21 0.00 0.00 178.00 177.60 1lnw h ASP 39 N 1.11 0.37 -0.99 -2.05 3.32 -0.55 -1.90 116.42 115.74 1lnw h ASP 39 Ca 0.44 -0.09 0.11 0.00 0.02 0.00 0.00 57.03 57.51 1lnw h ASP 39 Cb 0.24 -0.10 -0.08 0.00 0.22 0.00 0.00 39.33 39.61 1lnw h ASP 39 CO -0.19 0.35 0.62 0.58 -1.72 0.00 0.00 179.24 178.88 1lnw h VAL 40 N 0.37 0.95 -0.08 -1.35 2.07 -0.59 -2.05 116.25 115.58 1lnw h VAL 40 Ca 0.11 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1lnw h VAL 40 Cb 0.06 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 29.67 1lnw h VAL 40 CO -0.02 0.19 0.04 -0.74 0.02 0.00 0.00 177.57 177.06 1lnw h HIS 41 N 1.02 0.11 -0.99 1.57 -0.00 -0.70 -1.68 115.15 114.48 1lnw h HIS 41 Ca 0.48 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.85 1lnw h HIS 41 Cb 0.42 -0.03 -0.05 0.00 -0.00 0.00 0.00 27.41 27.75 1lnw h HIS 41 CO -0.01 0.18 0.65 0.28 -0.00 0.00 0.00 177.93 179.03 1lnw h VAL 42 N 0.01 1.26 -0.61 5.26 2.07 -0.73 -1.26 116.25 122.26 1lnw h VAL 42 Ca 0.03 -0.47 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 1lnw h VAL 42 Cb 0.11 -0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 29.65 1lnw h VAL 42 CO -0.00 0.25 0.13 -0.07 0.02 0.00 0.00 177.57 177.90 1lnw h LEU 43 N 1.35 0.93 -0.02 2.57 3.38 -1.27 -1.70 115.31 120.55 1lnw h LEU 43 Ca 0.36 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1lnw h LEU 43 Cb -0.15 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.34 1lnw h LEU 43 CO -0.08 0.93 -0.03 0.50 0.09 0.00 0.00 178.44 179.86 1lnw h LYS 44 N 0.89 -0.03 -0.59 1.13 3.64 -0.65 -1.29 116.57 119.67 1lnw h LYS 44 Ca 0.19 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 1lnw h LYS 44 Cb 0.38 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 1lnw h LYS 44 CO 0.01 -0.02 0.16 -0.07 -2.27 0.00 0.00 179.45 177.26 1lnw h LEU 45 N -0.04 0.84 0.12 5.20 3.38 -1.09 -1.10 115.31 122.63 1lnw h LEU 45 Ca 0.02 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1lnw h LEU 45 Cb 0.06 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1lnw h LEU 45 CO -0.05 0.81 -0.06 0.40 0.09 0.00 0.00 178.44 179.64 1lnw h ILE 46 N 0.87 0.98 -0.28 1.22 1.08 -1.07 -2.52 117.51 117.80 1lnw h ILE 46 Ca 0.19 -0.37 -0.04 0.00 -0.39 0.00 0.00 64.86 64.25 1lnw h ILE 46 Cb 0.28 1.22 -0.02 0.00 -3.07 0.00 0.00 36.82 35.24 1lnw h ILE 46 CO -0.00 0.09 -0.01 -0.78 -0.69 0.00 0.00 178.15 176.76 1lnw h ASP 47 N -0.33 0.39 -0.10 1.72 3.58 -1.07 -2.88 116.42 117.72 1lnw h ASP 47 Ca -0.02 -0.06 -0.11 0.00 0.42 0.00 0.00 57.03 57.26 1lnw h ASP 47 Cb 0.27 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.22 1lnw h ASP 47 CO 0.03 0.46 -0.37 -0.33 -2.88 0.00 0.00 179.24 176.14 1lnw h GLU 48 N 0.40 0.42 -2.44 0.28 5.08 -1.15 -3.34 114.58 113.83 1lnw h GLU 48 Ca 0.09 -0.32 -0.68 0.00 -1.00 0.00 0.00 59.36 57.44 1lnw h GLU 48 Cb 0.28 0.06 -0.36 0.00 0.50 0.00 0.00 28.75 29.23 1lnw h GLU 48 CO 0.01 0.95 -0.02 0.94 -1.00 0.00 0.00 179.01 179.89 1lnw n GLN 49 N -4.36 3.48 -1.65 2.33 7.27 -0.95 -5.06 117.38 118.44 1lnw n GLN 49 Ca -0.08 -4.66 -0.54 0.00 0.07 0.00 0.00 57.00 51.79 1lnw n GLN 49 Cb 0.52 -2.36 -0.06 0.00 2.41 0.00 0.00 30.24 30.75 1lnw n GLN 49 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 1lnw n ARG 50 N 0.81 1.19 -0.35 3.69 0.00 -1.10 -1.98 116.66 118.94 1lnw n ARG 50 Ca 0.30 0.43 0.00 0.00 -0.00 0.00 0.00 57.85 58.58 1lnw n ARG 50 Cb 0.37 -2.10 0.00 0.00 -0.00 0.00 0.00 32.46 30.73 1lnw n ARG 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1lnw n GLY 51 N 3.35 0.68 3.71 2.89 0.00 -0.75 -5.03 105.19 110.04 1lnw n GLY 51 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 1lnw n GLY 51 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1lnw s LEU 52 N 0.00 3.24 0.81 0.99 2.34 -0.83 -4.11 118.68 121.12 1lnw s LEU 52 Ca 0.00 2.41 -0.08 0.00 0.06 0.00 0.00 54.13 56.52 1lnw s LEU 52 Cb 0.00 -4.59 0.14 0.00 -0.56 0.00 0.00 46.19 41.18 1lnw s LEU 52 CO 0.00 -2.49 1.12 0.21 -1.06 0.00 0.00 176.35 174.14 1lnw s ASN 53 N -2.01 3.99 0.19 1.48 3.84 -1.26 -1.54 114.94 119.63 1lnw s ASN 53 Ca 0.75 0.06 -0.04 0.00 0.21 0.00 0.00 52.86 53.84 1lnw s ASN 53 Cb -0.30 -0.37 0.12 0.00 -0.55 0.00 0.00 41.25 40.14 1lnw s ASN 53 CO 0.48 -2.13 1.53 -0.07 -2.79 0.00 0.00 177.10 174.12 1lnw h LEU 54 N -0.97 0.69 -1.34 3.21 3.38 -1.96 -2.72 115.31 115.60 1lnw h LEU 54 Ca -0.41 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.23 1lnw h LEU 54 Cb 1.27 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1lnw h LEU 54 CO 0.44 1.05 0.45 0.06 0.09 0.00 0.00 178.44 180.53 1lnw h GLN 55 N 0.51 0.88 -0.19 1.13 3.07 -1.94 0.27 115.11 118.84 1lnw h GLN 55 Ca 0.03 -0.05 -0.15 0.00 0.09 0.00 0.00 58.65 58.57 1lnw h GLN 55 Cb 1.00 -0.20 0.00 0.00 0.08 0.00 0.00 27.48 28.37 1lnw h GLN 55 CO 0.09 0.58 -0.45 -0.44 0.09 0.00 0.00 178.83 178.70 1lnw h ASP 56 N 0.91 0.73 -0.51 0.06 5.19 -1.92 0.62 116.42 121.49 1lnw h ASP 56 Ca 0.25 -0.57 -0.03 0.00 -0.62 0.00 0.00 57.03 56.07 1lnw h ASP 56 Cb -0.09 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.18 1lnw h ASP 56 CO -0.06 1.16 0.23 0.25 -3.12 0.00 0.00 179.24 177.71 1lnw h LEU 57 N 0.33 0.71 -0.01 1.55 5.85 -1.10 0.57 115.31 123.21 1lnw h LEU 57 Ca -0.00 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1lnw h LEU 57 Cb 1.06 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 1lnw h LEU 57 CO 0.10 0.64 0.00 1.23 -0.34 0.00 0.00 178.44 180.07 1lnw h GLY 58 N 0.90 0.02 0.68 3.75 0.00 -0.23 -3.13 103.07 105.07 1lnw h GLY 58 Ca 0.19 -0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.54 1lnw h GLY 58 CO -0.02 0.01 0.02 -0.09 0.00 0.00 0.00 176.54 176.47 1lnw h ARG 59 N -0.21 0.10 -0.03 4.80 2.43 -0.26 0.96 114.38 122.17 1lnw h ARG 59 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1lnw h ARG 59 Cb 0.24 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1lnw h ARG 59 CO 0.00 0.07 0.00 1.04 -1.51 0.00 0.00 179.97 179.57 1lnw n GLN 60 N -5.12 0.00 -2.67 0.20 6.02 0.14 -4.74 117.38 111.22 1lnw n GLN 60 Ca -0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 56.93 1lnw n GLN 60 Cb 0.12 -0.97 0.03 0.00 1.02 0.00 0.00 30.24 30.44 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 0.07 1.15 0.42 0.00 1.81 -0.95 -5.12 118.95 116.32 1lnw s ARG 63 Ca 0.10 -0.91 -0.26 0.00 -1.72 0.00 0.00 55.73 52.94 1lnw s ARG 63 Cb 0.17 -1.25 -0.09 0.00 -0.45 0.00 0.00 34.95 33.33 1lnw s ARG 63 CO -0.06 0.31 1.41 0.16 -0.68 0.00 0.00 175.30 176.44 1lnw s ASP 64 N -1.31 6.13 0.49 0.23 -4.77 -1.26 -4.61 116.67 111.56 1lnw s ASP 64 Ca 0.05 2.89 0.29 0.00 -3.30 0.00 0.00 52.55 52.48 1lnw s ASP 64 Cb -0.09 -2.65 1.37 0.00 -1.09 0.00 0.00 42.92 40.46 1lnw s ASP 64 CO 0.02 -1.00 1.81 0.11 0.70 0.00 0.00 175.17 176.81 1lnw h LYS 65 N 2.62 0.14 -0.25 2.11 1.79 -1.94 -0.98 116.57 120.07 1lnw h LYS 65 Ca -0.50 -0.01 -0.17 0.00 -2.18 0.00 0.00 60.65 57.78 1lnw h LYS 65 Cb 1.25 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 1lnw h LYS 65 CO 0.62 0.09 -0.52 0.00 -1.08 0.00 0.00 179.45 178.56 1lnw h ALA 66 N 1.52 0.40 0.00 3.86 0.00 -2.00 -3.10 119.26 119.93 1lnw h ALA 66 Ca 0.55 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1lnw h ALA 66 Cb 1.87 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1lnw h ALA 66 CO -0.11 0.59 -0.39 1.25 0.00 0.00 0.00 179.25 180.59 1lnw h LEU 67 N 0.54 0.00 -0.11 0.00 5.85 -1.54 -3.18 115.31 116.87 1lnw h LEU 67 Ca 0.00 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 1lnw h LEU 67 Cb 1.13 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.17 1lnw h LEU 67 CO 0.12 0.39 -0.57 0.40 -0.34 0.00 0.00 178.44 178.44 1lnw h ILE 68 N 0.00 1.35 -0.90 4.05 1.08 -1.52 -3.10 117.51 118.47 1lnw h ILE 68 Ca -0.00 -1.87 0.12 0.00 -0.39 0.00 0.00 64.86 62.71 1lnw h ILE 68 Cb 0.84 2.17 -0.08 0.00 -3.07 0.00 0.00 36.82 36.67 1lnw h ILE 68 CO 0.05 0.57 0.53 0.71 -0.69 0.00 0.00 178.15 179.32 1lnw h THR 69 N 0.20 0.88 0.35 -0.27 1.35 -1.52 -0.98 112.91 112.91 1lnw h THR 69 Ca -0.04 -0.29 -0.01 0.00 -0.55 0.00 0.00 66.41 65.52 1lnw h THR 69 Cb 1.21 -0.04 -0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1lnw h THR 69 CO 0.12 0.15 -0.20 -0.09 -0.25 0.00 0.00 175.52 175.25 1lnw h ARG 70 N 0.84 -0.50 -0.22 4.72 2.43 -1.55 0.21 114.38 120.30 1lnw h ARG 70 Ca 0.45 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.64 1lnw h ARG 70 Cb 0.48 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1lnw h ARG 70 CO -0.28 -0.33 0.07 -0.22 -1.51 0.00 0.00 179.97 177.70 1lnw h LYS 71 N -0.52 0.31 0.26 0.20 1.63 -1.37 -2.23 116.57 114.85 1lnw h LYS 71 Ca -0.04 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 1lnw h LYS 71 Cb 0.42 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1lnw h LYS 71 CO 0.05 0.28 -0.12 0.82 -3.45 0.00 0.00 179.45 177.02 1lnw h ILE 72 N 0.31 0.00 -0.53 2.00 1.08 -0.76 -1.63 117.51 117.99 1lnw h ILE 72 Ca 0.08 -0.18 0.15 0.00 -0.39 0.00 0.00 64.86 64.52 1lnw h ILE 72 Cb 0.09 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 33.82 1lnw h ILE 72 CO -0.01 0.00 0.75 0.03 -0.69 0.00 0.00 178.15 178.23 1lnw h ARG 73 N -0.52 0.00 0.05 2.37 3.08 -0.93 0.75 114.38 119.19 1lnw h ARG 73 Ca -0.04 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.89 1lnw h ARG 73 Cb 0.27 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.33 1lnw h ARG 73 CO 0.06 0.00 -0.51 1.49 -1.07 0.00 0.00 179.97 179.93 1lnw h GLU 74 N 0.00 0.25 0.00 0.04 4.81 -1.33 -3.07 114.58 115.28 1lnw h GLU 74 Ca 0.25 -0.34 -0.05 0.00 -0.13 0.00 0.00 59.36 59.09 1lnw h GLU 74 Cb 1.74 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 31.23 1lnw h GLU 74 CO -0.00 1.10 -0.23 -0.07 -0.73 0.00 0.00 179.01 179.08 1lnw h LEU 75 N -0.43 0.00 -0.50 1.64 3.38 0.14 -1.69 115.31 117.85 1lnw h LEU 75 Ca -0.08 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 1lnw h LEU 75 Cb 1.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1lnw h LEU 75 CO 0.10 0.23 -0.20 -0.33 0.09 0.00 0.00 178.44 178.33 1lnw h GLU 76 N 0.00 1.01 0.00 1.13 5.08 -0.93 -2.16 114.58 118.71 1lnw h GLU 76 Ca -0.00 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 57.92 1lnw h GLU 76 Cb 0.55 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1lnw h GLU 76 CO 0.03 1.10 -0.09 0.78 -1.00 0.00 0.00 179.01 179.83 1lnw h GLY 77 N 0.88 0.00 1.25 -3.84 0.00 -1.23 -1.42 103.07 98.72 1lnw h GLY 77 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1lnw h GLY 77 CO 0.06 0.00 -0.04 0.54 0.00 0.00 0.00 176.54 177.10 1lnw n ARG 78 N -3.28 0.58 -2.87 4.80 5.12 -0.83 -4.92 116.66 115.26 1lnw n ARG 78 Ca -0.00 -0.09 -0.10 0.00 -1.93 0.00 0.00 57.85 55.72 1lnw n ARG 78 Cb 0.31 -1.50 0.05 0.00 -1.16 0.00 0.00 32.46 30.15 1lnw n ARG 78 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1lnw n ASN 79 N -1.13 -2.85 0.00 0.55 5.15 -0.53 -4.95 115.26 111.50 1lnw n ASN 79 Ca 0.15 -0.31 0.00 0.00 -0.60 0.00 0.00 54.58 53.82 1lnw n ASN 79 Cb 0.24 -2.91 0.00 0.00 -0.53 0.00 0.00 39.78 36.58 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 -2.72 0.00 -4.09 1.20 4.32 -1.03 -4.04 117.00 110.63 1lnw n LEU 80 Ca -0.10 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.75 1lnw n LEU 80 Cb 0.57 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.25 1lnw n LEU 80 CO 0.33 0.00 -0.41 -0.69 -1.22 0.00 0.00 177.39 175.39 1lnw s VAL 81 N -0.94 0.68 0.15 4.08 1.01 -1.22 -1.32 120.40 122.85 1lnw s VAL 81 Ca 0.00 -1.19 0.02 0.00 0.00 0.00 0.00 61.98 60.81 1lnw s VAL 81 Cb 0.00 -0.79 -0.05 0.00 0.00 0.00 0.00 36.38 35.55 1lnw s VAL 81 CO 0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 175.10 174.68 1lnw s ARG 82 N -1.77 1.05 0.30 2.72 1.70 -0.33 -4.29 118.95 118.33 1lnw s ARG 82 Ca -0.07 -1.48 0.02 0.00 -0.47 0.00 0.00 55.73 53.74 1lnw s ARG 82 Cb -0.09 -0.35 -0.05 0.00 -0.57 0.00 0.00 34.95 33.89 1lnw s ARG 82 CO 0.01 -0.06 0.10 1.03 -1.08 0.00 0.00 175.30 175.30 1lnw s ARG 83 N -3.86 1.56 -0.31 3.89 0.52 -1.26 -2.09 118.95 117.41 1lnw s ARG 83 Ca 0.20 -1.87 -0.12 0.00 -0.52 0.00 0.00 55.73 53.42 1lnw s ARG 83 Cb 0.05 -0.44 0.19 0.00 0.52 0.00 0.00 34.95 35.27 1lnw s ARG 83 CO 0.01 -0.31 1.11 -1.83 0.02 0.00 0.00 175.30 174.31 1lnw s GLU 84 N -3.93 0.08 -0.29 3.54 -1.05 -1.10 -4.98 118.70 110.97 1lnw s GLU 84 Ca 0.36 -0.02 -0.03 0.00 -0.15 0.00 0.00 54.97 55.13 1lnw s GLU 84 Cb 0.07 0.01 0.00 0.00 -0.44 0.00 0.00 34.13 33.77 1lnw s GLU 84 CO 0.15 -0.11 0.08 0.54 0.95 0.00 0.00 175.26 176.87 1lnw n ARG 85 N 3.66 -2.97 -4.15 -4.83 5.12 -1.26 -3.92 116.66 108.31 1lnw n ARG 85 Ca 0.05 2.46 -0.34 0.00 -1.93 0.00 0.00 57.85 58.09 1lnw n ARG 85 Cb 0.64 -4.84 -0.14 0.00 -1.16 0.00 0.00 32.46 26.96 1lnw n ARG 85 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1lnw s PHE 93 N -1.67 2.90 0.21 -1.55 0.40 -1.26 -5.10 117.98 111.90 1lnw s PHE 93 Ca 0.04 -0.97 -0.14 0.00 -0.60 0.00 0.00 56.93 55.25 1lnw s PHE 93 Cb -0.01 -2.01 -0.08 0.00 0.51 0.00 0.00 43.02 41.43 1lnw s PHE 93 CO 0.69 -0.50 0.61 -0.65 0.70 0.00 0.00 175.22 176.07 1lnw s GLN 94 N 1.17 4.00 -0.06 0.44 -0.21 -1.25 -3.78 119.66 119.96 1lnw s GLN 94 Ca 0.02 0.55 0.04 0.00 0.02 0.00 0.00 55.36 55.98 1lnw s GLN 94 Cb -0.14 -2.78 -0.02 0.00 1.00 0.00 0.00 33.01 31.06 1lnw s GLN 94 CO -0.03 0.38 -0.16 -0.51 -2.12 0.00 0.00 175.29 172.85 1lnw s LEU 95 N -2.30 2.61 0.05 2.90 1.43 -0.59 -2.72 118.68 120.06 1lnw s LEU 95 Ca 0.43 -0.27 -0.03 0.00 -1.03 0.00 0.00 54.13 53.24 1lnw s LEU 95 Cb -0.14 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.53 1lnw s LEU 95 CO 0.20 0.31 0.02 -0.36 0.23 0.00 0.00 176.35 176.74 1lnw s PHE 96 N -0.50 0.37 0.28 0.29 0.40 -0.89 -1.81 117.98 116.13 1lnw s PHE 96 Ca 0.06 -0.82 -0.12 0.00 -0.60 0.00 0.00 56.93 55.46 1lnw s PHE 96 Cb -0.12 -0.27 -0.08 0.00 0.51 0.00 0.00 43.02 43.06 1lnw s PHE 96 CO 0.01 -0.36 0.64 -0.51 0.70 0.00 0.00 175.22 175.70 1lnw s LEU 97 N -2.52 4.10 0.66 -0.37 1.02 -1.26 -1.19 118.68 119.13 1lnw s LEU 97 Ca 0.01 1.09 -0.09 0.00 0.02 0.00 0.00 54.13 55.15 1lnw s LEU 97 Cb 0.03 -3.87 0.01 0.00 0.02 0.00 0.00 46.19 42.38 1lnw s LEU 97 CO -0.08 -0.15 1.02 0.42 0.02 0.00 0.00 176.35 177.59 1lnw s THR 98 N -1.92 3.53 0.54 5.49 -4.23 -0.44 -4.78 115.64 113.84 1lnw s THR 98 Ca 0.51 0.29 0.22 0.00 -1.18 0.00 0.00 61.69 61.53 1lnw s THR 98 Cb -0.11 -3.46 0.33 0.00 1.34 0.00 0.00 72.50 70.60 1lnw s THR 98 CO 0.20 -0.56 2.10 0.44 -0.54 0.00 0.00 174.62 176.27 1lnw h ASP 99 N -0.47 0.00 -0.03 3.99 3.32 -1.92 0.97 116.42 122.27 1lnw h ASP 99 Ca -0.45 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.55 1lnw h ASP 99 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1lnw h ASP 99 CO 0.63 0.00 -0.17 -0.08 -1.72 0.00 0.00 179.24 177.89 1lnw h GLU 100 N 0.00 0.17 -0.42 3.56 4.57 -1.90 -3.14 114.58 117.42 1lnw h GLU 100 Ca 0.09 -0.14 0.05 0.00 -1.18 0.00 0.00 59.36 58.18 1lnw h GLU 100 Cb 0.39 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 28.96 1lnw h GLU 100 CO -0.00 0.81 0.15 0.78 -1.18 0.00 0.00 179.01 179.57 1lnw h GLY 101 N -0.43 0.54 0.19 1.92 0.00 -1.08 -2.21 103.07 102.01 1lnw h GLY 101 Ca -0.01 -0.08 0.08 0.00 0.00 0.00 0.00 47.33 47.32 1lnw h GLY 101 CO 0.04 0.02 -0.08 -2.00 0.00 0.00 0.00 176.54 174.52 1lnw h LEU 102 N 0.31 -0.33 -0.46 3.11 5.85 -0.99 0.39 115.31 123.19 1lnw h LEU 102 Ca 0.19 0.12 0.06 0.00 0.84 0.00 0.00 57.88 59.09 1lnw h LEU 102 Cb 0.18 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 1lnw h LEU 102 CO -0.20 -0.12 0.18 0.00 -0.34 0.00 0.00 178.44 177.96 1lnw h ALA 103 N 1.41 0.57 -0.27 1.25 0.00 -1.38 0.45 119.26 121.28 1lnw h ALA 103 Ca 0.21 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 1lnw h ALA 103 Cb 0.31 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1lnw h ALA 103 CO -0.41 -0.21 -0.13 0.82 0.00 0.00 0.00 179.25 179.32 1lnw h ILE 104 N 0.36 1.30 -0.77 0.00 2.04 -0.73 -2.74 117.51 116.96 1lnw h ILE 104 Ca 0.22 -1.21 0.03 0.00 1.00 0.00 0.00 64.86 64.89 1lnw h ILE 104 Cb 0.20 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 1lnw h ILE 104 CO -0.21 0.38 0.51 -0.74 0.00 0.00 0.00 178.15 178.09 1lnw h HIS 105 N 0.30 0.93 0.00 1.37 2.76 0.05 0.37 115.15 120.93 1lnw h HIS 105 Ca 0.06 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 1lnw h HIS 105 Cb 0.64 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.28 1lnw h HIS 105 CO 0.06 0.56 0.00 1.04 -1.30 0.00 0.00 177.93 178.29 1lnw n GLN 106 N -4.44 0.20 -0.09 5.26 6.02 0.12 -2.34 117.38 122.12 1lnw n GLN 106 Ca 0.09 0.39 -0.22 0.00 -0.01 0.00 0.00 57.00 57.25 1lnw n GLN 106 Cb 0.09 -1.86 -0.12 0.00 1.02 0.00 0.00 30.24 29.37 1lnw n GLN 106 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 1lnw n HIS 107 N -2.24 0.54 -0.30 1.08 -0.00 -0.05 -3.80 115.22 110.45 1lnw n HIS 107 Ca 0.03 0.15 -0.02 0.00 0.46 0.00 0.00 57.72 58.34 1lnw n HIS 107 Cb 0.26 -1.06 0.15 0.00 -0.12 0.00 0.00 29.99 29.22 1lnw n HIS 107 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1lnw h ALA 108 N -0.29 1.31 -0.13 1.57 0.00 -1.09 -1.67 119.26 118.94 1lnw h ALA 108 Ca -0.52 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.21 1lnw h ALA 108 Cb 1.77 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1lnw h ALA 108 CO -0.14 0.60 -0.30 1.49 0.00 0.00 0.00 179.25 180.90 1lnw h GLU 109 N 1.19 0.25 0.00 0.00 4.57 -1.66 -1.52 114.58 117.41 1lnw h GLU 109 Ca 0.31 -0.09 -0.08 0.00 -1.18 0.00 0.00 59.36 58.32 1lnw h GLU 109 Cb -0.07 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 1lnw h GLU 109 CO -0.06 0.53 -0.37 0.00 -1.18 0.00 0.00 179.01 177.93 1lnw h ALA 110 N 1.47 1.24 0.00 2.92 0.00 -1.43 -1.45 119.26 122.01 1lnw h ALA 110 Ca 0.03 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1lnw h ALA 110 Cb 0.65 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1lnw h ALA 110 CO 0.05 0.46 0.00 -0.89 0.00 0.00 0.00 179.25 178.87 1lnw n ILE 111 N -3.88 0.31 0.00 0.00 5.41 -0.57 -2.58 119.36 118.06 1lnw n ILE 111 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 1lnw n ILE 111 Cb 0.43 -0.59 0.00 0.00 -0.71 0.00 0.00 39.64 38.77 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 0.30 0.00 -0.09 4.38 7.64 -0.55 -1.02 113.62 124.28 1lnw n SER 113 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 1lnw n SER 113 Cb 0.27 0.00 0.35 0.00 -1.01 0.00 0.00 64.21 63.82 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 0.73 -0.12 1.43 2.43 -1.76 0.49 114.38 117.59 1lnw h ARG 114 Ca 0.00 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1lnw h ARG 114 Cb 0.00 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.38 1lnw h ARG 114 CO 0.00 0.49 -0.04 0.28 -1.51 0.00 0.00 179.97 179.19 1lnw h VAL 115 N 0.75 1.30 -0.13 0.20 2.07 -1.36 -2.31 116.25 116.76 1lnw h VAL 115 Ca 0.20 -1.00 -0.13 0.00 0.82 0.00 0.00 66.70 66.59 1lnw h VAL 115 Cb -0.08 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1lnw h VAL 115 CO -0.04 0.29 -0.48 0.45 0.02 0.00 0.00 177.57 177.80 1lnw h HIS 116 N -0.09 0.42 -0.82 1.57 3.86 -1.74 -2.45 115.15 115.92 1lnw h HIS 116 Ca 0.03 -0.13 0.06 0.00 -1.16 0.00 0.00 60.37 59.17 1lnw h HIS 116 Cb 0.47 -0.09 -0.06 0.00 1.06 0.00 0.00 27.41 28.79 1lnw h HIS 116 CO 0.06 0.77 0.50 -0.44 0.86 0.00 0.00 177.93 179.67 1lnw h ASP 117 N 0.28 0.78 1.11 2.45 5.19 0.08 -0.37 116.42 125.94 1lnw h ASP 117 Ca 0.01 0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.39 1lnw h ASP 117 Cb 0.95 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.32 1lnw h ASP 117 CO 0.08 0.50 -0.27 -0.33 -3.12 0.00 0.00 179.24 176.10 1lnw h GLU 118 N 0.91 0.00 -0.02 3.56 5.08 -1.19 -1.82 114.58 121.10 1lnw h GLU 118 Ca 0.36 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.69 1lnw h GLU 118 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1lnw h GLU 118 CO -0.17 0.27 -0.08 1.25 -1.00 0.00 0.00 179.01 179.27 1lnw h LEU 119 N 0.00 0.10 0.00 1.33 5.85 -0.63 -3.33 115.31 118.63 1lnw h LEU 119 Ca -0.00 -0.65 0.00 0.00 0.84 0.00 0.00 57.88 58.07 1lnw h LEU 119 Cb 0.90 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.89 1lnw h LEU 119 CO 0.03 0.73 -0.55 0.49 -0.34 0.00 0.00 178.44 178.81 1lnw n PHE 120 N -4.69 0.32 -0.33 1.25 3.01 -0.58 -4.45 117.46 111.99 1lnw n PHE 120 Ca -0.09 0.09 0.20 0.00 1.01 0.00 0.00 57.45 58.67 1lnw n PHE 120 Cb 0.37 -0.50 0.39 0.00 -0.01 0.00 0.00 39.48 39.73 1lnw n PHE 120 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1lnw n ALA 121 N -1.69 0.67 1.37 4.37 0.00 -0.69 0.12 120.51 124.67 1lnw n ALA 121 Ca 0.04 1.02 0.05 0.00 0.00 0.00 0.00 53.44 54.56 1lnw n ALA 121 Cb 0.40 -0.84 0.29 0.00 0.00 0.00 0.00 19.45 19.29 1lnw n ALA 121 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1lnw n PRO 122 N -5.36 0.68 -3.65 0.00 -0.04 -1.26 -4.74 135.00 120.63 1lnw n PRO 122 Ca 0.28 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.38 1lnw n PRO 122 Cb 0.93 -1.22 -0.08 0.00 -0.04 0.00 0.00 33.50 33.09 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 -1.45 4.23 0.86 1.53 1.43 0.12 -5.07 118.68 120.33 1lnw s LEU 123 Ca 0.15 0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 53.49 1lnw s LEU 123 Cb 0.07 -2.21 0.11 0.00 0.03 0.00 0.00 46.19 44.19 1lnw s LEU 123 CO 0.11 0.15 1.15 0.42 0.23 0.00 0.00 176.35 178.41 1lnw s THR 124 N 0.39 2.26 0.33 5.49 -4.23 -1.26 -4.70 115.64 113.92 1lnw s THR 124 Ca 0.12 0.09 0.06 0.00 -1.18 0.00 0.00 61.69 60.78 1lnw s THR 124 Cb -0.12 -2.28 0.31 0.00 1.34 0.00 0.00 72.50 71.75 1lnw s THR 124 CO 0.01 -0.10 1.86 -0.65 -0.54 0.00 0.00 174.62 175.20 1lnw h PRO 125 N -1.48 0.79 -0.16 3.99 0.11 -1.97 -1.14 132.00 132.14 1lnw h PRO 125 Ca -0.44 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1lnw h PRO 125 Cb 1.27 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1lnw h PRO 125 CO 0.44 0.52 0.09 0.28 -0.21 0.00 0.00 178.00 179.13 1lnw h VAL 126 N 0.81 1.08 -0.50 3.15 2.07 -2.00 -1.78 116.25 119.08 1lnw h VAL 126 Ca 0.46 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.76 1lnw h VAL 126 Cb 0.60 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1lnw h VAL 126 CO -0.22 0.07 0.26 -0.33 0.02 0.00 0.00 177.57 177.37 1lnw h GLU 127 N 0.17 0.69 -0.40 1.57 5.08 -1.61 -2.14 114.58 117.95 1lnw h GLU 127 Ca 0.06 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1lnw h GLU 127 Cb 0.04 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1lnw h GLU 127 CO -0.01 0.52 0.02 1.96 -1.00 0.00 0.00 179.01 180.50 1lnw h GLN 128 N 0.70 0.69 -0.62 2.33 4.20 -0.87 0.13 115.11 121.66 1lnw h GLN 128 Ca 0.18 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 1lnw h GLN 128 Cb 0.05 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 1lnw h GLN 128 CO -0.03 0.77 0.21 0.00 -0.67 0.00 0.00 178.83 179.11 1lnw h ALA 129 N 0.89 1.21 0.25 3.87 0.00 -0.97 -0.54 119.26 123.98 1lnw h ALA 129 Ca 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1lnw h ALA 129 Cb 0.44 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1lnw h ALA 129 CO 0.02 0.56 -0.12 1.15 0.00 0.00 0.00 179.25 180.86 1lnw h THR 130 N 0.90 0.80 -0.90 0.00 2.02 -1.03 -2.27 112.91 112.42 1lnw h THR 130 Ca 0.21 -0.42 0.15 0.00 0.77 0.00 0.00 66.41 67.12 1lnw h THR 130 Cb 0.23 1.04 -0.09 0.00 -1.74 0.00 0.00 68.15 67.58 1lnw h THR 130 CO -0.01 0.09 0.50 0.25 0.37 0.00 0.00 175.52 176.72 1lnw h LEU 131 N -0.56 0.64 -0.43 2.58 6.46 -0.47 -0.68 115.31 122.84 1lnw h LEU 131 Ca -0.03 0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1lnw h LEU 131 Cb 0.41 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.30 1lnw h LEU 131 CO 0.06 0.27 0.26 0.58 -0.62 0.00 0.00 178.44 178.99 1lnw h VAL 132 N 0.71 1.14 -0.04 1.05 2.07 -0.94 -0.91 116.25 119.32 1lnw h VAL 132 Ca 0.49 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.69 1lnw h VAL 132 Cb 0.67 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1lnw h VAL 132 CO -0.35 0.14 0.01 -0.74 0.02 0.00 0.00 177.57 176.65 1lnw h HIS 133 N 0.57 0.07 -0.26 1.57 -0.00 -0.59 -1.84 115.15 114.67 1lnw h HIS 133 Ca 0.16 -0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.53 1lnw h HIS 133 Cb 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.37 1lnw h HIS 133 CO -0.03 0.31 0.13 -0.07 -0.00 0.00 0.00 177.93 178.27 1lnw h LEU 134 N -0.19 0.21 -0.74 0.26 4.07 -1.15 -2.03 115.31 115.73 1lnw h LEU 134 Ca 0.01 0.01 0.10 0.00 0.08 0.00 0.00 57.88 58.08 1lnw h LEU 134 Cb 0.28 -0.03 -0.08 0.00 1.08 0.00 0.00 40.66 41.91 1lnw h LEU 134 CO 0.00 0.16 0.38 -0.07 -1.08 0.00 0.00 178.44 177.82 1lnw h LEU 135 N 0.28 0.48 -2.02 1.67 4.07 -1.14 0.85 115.31 119.50 1lnw h LEU 135 Ca 0.11 0.07 -0.01 0.00 0.08 0.00 0.00 57.88 58.12 1lnw h LEU 135 Cb 0.02 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 41.75 1lnw h LEU 135 CO -0.07 0.26 -0.06 -0.78 -1.08 0.00 0.00 178.44 176.71 1lnw h ASP 136 N 0.62 0.00 1.17 -0.43 1.82 -0.63 -1.59 116.42 117.37 1lnw h ASP 136 Ca 0.37 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.01 1lnw h ASP 136 Cb 0.42 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.43 1lnw h ASP 136 CO -0.29 0.06 0.00 0.00 -1.61 0.00 0.00 179.24 177.41 1lnw n GLN 137 N -3.35 0.23 0.00 0.28 1.13 0.28 -2.62 117.38 113.33 1lnw n GLN 137 Ca -0.01 0.29 0.14 0.00 -1.94 0.00 0.00 57.00 55.48 1lnw n GLN 137 Cb 0.22 -1.83 0.55 0.00 0.11 0.00 0.00 30.24 29.29 1lnw n GLN 137 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1lnw s LEU 139 N -2.35 3.94 0.57 0.00 1.43 -1.08 -5.06 118.68 116.14 1lnw s LEU 139 Ca 0.31 0.59 -0.19 0.00 -1.03 0.00 0.00 54.13 53.80 1lnw s LEU 139 Cb 0.20 -3.46 -0.05 0.00 0.03 0.00 0.00 46.19 42.91 1lnw s LEU 139 CO 0.45 -0.34 1.18 0.00 0.23 0.00 0.00 176.35 177.88 1lnw s ALA 140 N -2.37 2.62 0.09 4.21 0.00 -1.26 -4.94 121.76 120.11 1lnw s ALA 140 Ca 0.42 0.95 -0.31 0.00 0.00 0.00 0.00 51.96 53.02 1lnw s ALA 140 Cb -0.10 -3.42 -0.07 0.00 0.00 0.00 0.00 23.12 19.53 1lnw s ALA 140 CO 0.37 -1.00 1.31 0.00 0.00 0.00 0.00 175.76 176.44 1lnw s ALA 141 N -1.65 3.51 -0.52 0.00 0.00 -1.26 -4.95 121.76 116.89 1lnw s ALA 141 Ca 0.75 1.00 0.06 0.00 0.00 0.00 0.00 51.96 53.77 1lnw s ALA 141 Cb -0.28 -3.50 0.20 0.00 0.00 0.00 0.00 23.12 19.54 1lnw s ALA 141 CO 0.31 -0.55 0.49 1.04 0.00 0.00 0.00 175.76 177.05 1lnw n GLN 142 N 3.99 1.14 -1.76 0.00 6.02 -1.26 -5.11 117.38 120.41 1lnw n GLN 142 Ca 0.10 -3.79 -0.35 0.00 -0.01 0.00 0.00 57.00 52.95 1lnw n GLN 142 Cb 0.44 -1.83 0.06 0.00 1.02 0.00 0.00 30.24 29.93 1lnw n GLN 142 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1lnw s PRO 143 N -1.06 2.62 -0.14 -1.09 0.04 -1.26 -5.03 135.00 129.08 1lnw s PRO 143 Ca 0.33 1.77 -0.01 0.00 0.04 0.00 0.00 61.00 63.13 1lnw s PRO 143 Cb 0.07 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.70 1lnw s PRO 143 CO -0.14 -1.47 -0.11 -0.51 0.04 0.00 0.00 177.00 174.82 1lnw s LEU 144 N -4.57 2.84 -0.15 -3.56 1.02 -1.26 -5.10 118.68 107.91 1lnw s LEU 144 Ca 0.76 -0.28 -0.01 0.00 0.02 0.00 0.00 54.13 54.61 1lnw s LEU 144 Cb -0.29 -1.65 -0.02 0.00 0.02 0.00 0.00 46.19 44.25 1lnw s LEU 144 CO 0.39 0.17 -0.10 -1.61 0.02 0.00 0.00 176.35 175.21 1lnw s GLU 145 N 0.35 3.43 -0.06 1.70 2.02 -1.26 -5.00 118.70 119.88 1lnw s GLU 145 Ca -0.09 -0.65 0.07 0.00 0.02 0.00 0.00 54.97 54.32 1lnw s GLU 145 Cb -0.16 -2.73 -0.11 0.00 0.10 0.00 0.00 34.13 31.24 1lnw s GLU 145 CO 0.05 0.16 0.06 -0.25 0.02 0.00 0.00 175.26 175.30 1lnw n ASP 146 N 3.71 3.06 0.00 -0.19 9.92 -1.26 -5.35 116.55 126.44 1lnw n ASP 146 Ca -0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.08 1lnw n ASP 146 Cb 0.52 0.86 0.00 0.00 -0.64 0.00 0.00 41.12 41.86 1lnw n ASP 146 CO 0.00 0.00 0.00 2.30 0.13 0.00 0.00 177.20 179.63