#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v4w s GLU 2 N 0.00 3.28 -0.13 1.45 2.12 -1.26 -4.98 118.70 119.18 1v4w s GLU 2 Ca 0.00 -0.80 -0.08 0.00 0.36 0.00 0.00 54.97 54.46 1v4w s GLU 2 Cb 0.00 -3.87 -0.04 0.00 0.26 0.00 0.00 34.13 30.47 1v4w s GLU 2 CO 0.00 -0.57 0.15 -1.58 -0.54 0.00 0.00 175.26 172.72 1v4w s TRP 3 N 1.70 3.57 0.73 5.30 0.52 -1.26 -5.11 118.94 124.39 1v4w s TRP 3 Ca 0.06 0.51 -0.10 0.00 0.02 0.00 0.00 56.10 56.58 1v4w s TRP 3 Cb -0.18 -1.99 0.05 0.00 -1.15 0.00 0.00 33.47 30.19 1v4w s TRP 3 CO 0.10 0.65 1.09 0.95 0.02 0.00 0.00 176.95 179.76 1v4w s THR 4 N -0.76 2.74 0.23 2.01 -4.23 -1.26 -4.95 115.64 109.41 1v4w s THR 4 Ca 0.14 0.11 -0.03 0.00 -1.18 0.00 0.00 61.69 60.72 1v4w s THR 4 Cb -0.12 -3.21 0.06 0.00 1.34 0.00 0.00 72.50 70.57 1v4w s THR 4 CO 0.03 -0.26 1.67 0.06 -0.54 0.00 0.00 174.62 175.59 1v4w h GLN 5 N -0.73 0.78 -0.38 3.99 -0.00 -1.99 -1.93 115.11 114.84 1v4w h GLN 5 Ca -0.45 -0.27 -0.02 0.00 -0.00 0.00 0.00 58.65 57.90 1v4w h GLN 5 Cb 1.29 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.48 28.70 1v4w h GLN 5 CO 0.64 0.88 0.14 1.96 -0.00 0.00 0.00 178.83 182.45 1v4w h GLN 6 N 0.70 0.57 -0.19 0.06 7.50 -1.98 -1.04 115.11 120.73 1v4w h GLN 6 Ca 0.11 -0.11 -0.00 0.00 0.50 0.00 0.00 58.65 59.15 1v4w h GLN 6 Cb 0.63 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 28.07 1v4w h GLN 6 CO 0.04 0.55 0.11 0.93 -1.50 0.00 0.00 178.83 178.97 1v4w h GLU 7 N 0.46 0.25 -0.63 1.46 5.08 -1.93 0.17 114.58 119.45 1v4w h GLU 7 Ca 0.12 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.52 1v4w h GLU 7 Cb 0.20 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 1v4w h GLU 7 CO -0.01 0.20 0.34 0.00 -1.00 0.00 0.00 179.01 178.54 1v4w h ARG 8 N 0.23 0.61 -0.58 2.33 3.08 -1.26 -1.58 114.38 117.22 1v4w h ARG 8 Ca 0.07 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1v4w h ARG 8 Cb 0.01 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 1v4w h ARG 8 CO -0.01 0.41 0.21 0.77 -1.07 0.00 0.00 179.97 180.28 1v4w h SER 9 N 0.63 0.82 0.01 7.04 0.02 -0.74 -1.36 113.55 119.98 1v4w h SER 9 Ca 0.28 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1v4w h SER 9 Cb 0.18 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1v4w h SER 9 CO -0.18 0.78 -0.01 0.40 -1.14 0.00 0.00 176.83 176.68 1v4w h ILE 10 N 0.81 1.11 -0.41 3.27 2.04 -0.33 -1.12 117.51 122.88 1v4w h ILE 10 Ca 0.19 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.71 1v4w h ILE 10 Cb 0.23 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1v4w h ILE 10 CO -0.01 0.09 0.23 0.40 0.00 0.00 0.00 178.15 178.86 1v4w h ILE 11 N -0.17 1.02 -0.56 -0.67 1.08 -1.23 -1.91 117.51 115.07 1v4w h ILE 11 Ca -0.00 -0.16 -0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1v4w h ILE 11 Cb 0.17 0.52 -0.03 0.00 -3.07 0.00 0.00 36.82 34.41 1v4w h ILE 11 CO 0.00 0.08 0.33 0.00 -0.69 0.00 0.00 178.15 177.88 1v4w h ALA 12 N 1.19 0.71 -0.89 1.87 0.00 -1.16 -2.34 119.26 118.64 1v4w h ALA 12 Ca 0.17 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1v4w h ALA 12 Cb 0.03 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1v4w h ALA 12 CO -0.09 0.20 0.59 0.78 0.00 0.00 0.00 179.25 180.74 1v4w h GLY 13 N 0.75 1.26 0.82 0.00 0.00 -0.98 0.27 103.07 105.20 1v4w h GLY 13 Ca 0.20 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1v4w h GLY 13 CO -0.04 0.45 0.01 -2.22 0.00 0.00 0.00 176.54 174.74 1v4w h ILE 14 N 1.19 1.16 0.00 2.60 2.04 -0.89 -3.05 117.51 120.57 1v4w h ILE 14 Ca 0.33 -0.46 -0.10 0.00 1.00 0.00 0.00 64.86 65.63 1v4w h ILE 14 Cb -0.11 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 1v4w h ILE 14 CO -0.08 0.13 -0.48 -0.26 0.00 0.00 0.00 178.15 177.46 1v4w h PHE 15 N -0.13 0.00 -0.31 1.37 0.04 -1.12 -2.24 116.94 114.55 1v4w h PHE 15 Ca 0.01 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 1v4w h PHE 15 Cb 0.19 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.33 1v4w h PHE 15 CO -0.01 0.48 0.02 0.00 -0.60 0.00 0.00 178.31 178.20 1v4w h ALA 16 N 1.52 1.46 -0.10 2.45 0.00 -0.38 -3.00 119.26 121.21 1v4w h ALA 16 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1v4w h ALA 16 Cb 1.11 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1v4w h ALA 16 CO 0.06 0.39 0.00 0.09 0.00 0.00 0.00 179.25 179.79 1v4w n ASN 17 N -4.32 2.57 -4.71 0.00 5.03 -1.15 -5.01 115.26 107.68 1v4w n ASN 17 Ca 0.01 -1.75 -0.42 0.00 0.87 0.00 0.00 54.58 53.29 1v4w n ASN 17 Cb 0.21 -0.06 -0.03 0.00 -1.02 0.00 0.00 39.78 38.89 1v4w n ASN 17 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1v4w s LEU 18 N -1.34 4.37 -0.76 3.41 0.20 -0.86 -4.96 118.68 118.74 1v4w s LEU 18 Ca 0.22 2.53 -0.21 0.00 0.69 0.00 0.00 54.13 57.36 1v4w s LEU 18 Cb 0.15 -3.59 0.09 0.00 -0.43 0.00 0.00 46.19 42.41 1v4w s LEU 18 CO 0.22 -0.81 1.02 0.21 -0.29 0.00 0.00 176.35 176.70 1v4w s ASN 19 N 1.43 6.34 0.38 3.68 3.04 -1.26 -4.92 114.94 123.62 1v4w s ASN 19 Ca 0.70 -1.39 0.06 0.00 0.04 0.00 0.00 52.86 52.27 1v4w s ASN 19 Cb -0.42 -2.41 0.74 0.00 -1.54 0.00 0.00 41.25 37.62 1v4w s ASN 19 CO 0.31 -1.30 1.97 1.88 -3.04 0.00 0.00 177.10 176.93 1v4w h TYR 20 N 9.31 0.53 0.00 0.43 -1.99 -1.97 -0.95 116.97 122.33 1v4w h TYR 20 Ca -0.12 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.59 1v4w h TYR 20 Cb 1.05 -0.17 0.00 0.00 2.00 0.00 0.00 36.73 39.62 1v4w h TYR 20 CO 1.04 0.42 0.00 0.93 -0.00 0.00 0.00 178.16 180.55 1v4w h GLU 21 N 0.53 0.00 0.00 4.88 3.07 -1.96 -0.59 114.58 120.52 1v4w h GLU 21 Ca 0.13 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.94 1v4w h GLU 21 Cb 0.12 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 1v4w h GLU 21 CO -0.01 0.00 -0.75 -3.47 -1.40 0.00 0.00 179.01 173.38 1v4w n ASP 22 N -2.44 1.83 -0.09 1.42 4.64 -0.78 -4.52 116.55 116.61 1v4w n ASP 22 Ca 0.03 0.56 -0.14 0.00 -1.38 0.00 0.00 54.79 53.86 1v4w n ASP 22 Cb 0.32 -0.88 -0.04 0.00 -1.04 0.00 0.00 41.12 39.49 1v4w n ASP 22 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 1v4w h ILE 23 N -1.00 1.29 0.66 5.18 1.08 -1.25 -3.06 117.51 120.41 1v4w h ILE 23 Ca -0.08 -1.63 -0.03 0.00 -0.39 0.00 0.00 64.86 62.72 1v4w h ILE 23 Cb 0.73 1.60 -0.00 0.00 -3.07 0.00 0.00 36.82 36.08 1v4w h ILE 23 CO -0.05 0.53 -0.37 1.23 -0.69 0.00 0.00 178.15 178.80 1v4w h GLY 24 N 0.60 -1.03 0.90 5.37 0.00 -1.30 -1.06 103.07 106.54 1v4w h GLY 24 Ca 0.03 0.41 0.06 0.00 0.00 0.00 0.00 47.33 47.83 1v4w h GLY 24 CO 0.10 -0.37 0.58 -2.55 0.00 0.00 0.00 176.54 174.30 1v4w h PRO 25 N -0.97 0.98 -0.70 4.80 0.11 -1.73 -2.07 132.00 132.43 1v4w h PRO 25 Ca -0.09 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.90 1v4w h PRO 25 Cb 0.77 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.63 1v4w h PRO 25 CO 0.11 0.65 0.19 0.87 -0.21 0.00 0.00 178.00 179.61 1v4w h LYS 26 N 1.01 1.12 -0.19 1.05 1.57 -1.39 -0.63 116.57 119.11 1v4w h LYS 26 Ca 0.38 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 58.78 1v4w h LYS 26 Cb 0.18 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1v4w h LYS 26 CO -0.14 0.98 -0.34 0.00 -0.57 0.00 0.00 179.45 179.39 1v4w h ALA 27 N 1.09 0.29 -0.18 3.86 0.00 -0.76 -1.62 119.26 121.94 1v4w h ALA 27 Ca 0.22 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1v4w h ALA 27 Cb 0.35 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1v4w h ALA 27 CO -0.00 0.34 -0.05 1.25 0.00 0.00 0.00 179.25 180.79 1v4w h LEU 28 N 0.21 0.35 -0.61 0.00 5.85 -1.33 -1.69 115.31 118.09 1v4w h LEU 28 Ca 0.01 -0.38 0.07 0.00 0.84 0.00 0.00 57.88 58.42 1v4w h LEU 28 Cb 0.93 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.80 1v4w h LEU 28 CO 0.08 0.65 0.30 0.00 -0.34 0.00 0.00 178.44 179.13 1v4w h ALA 29 N 0.71 0.80 -0.87 1.25 0.00 -1.14 -1.49 119.26 118.53 1v4w h ALA 29 Ca 0.04 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1v4w h ALA 29 Cb 0.50 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1v4w h ALA 29 CO 0.02 -0.06 0.49 -0.09 0.00 0.00 0.00 179.25 179.60 1v4w h ARG 30 N 0.56 1.21 -0.46 0.00 2.43 -1.20 -1.23 114.38 115.68 1v4w h ARG 30 Ca 0.28 -0.14 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1v4w h ARG 30 Cb 0.23 -0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 1v4w h ARG 30 CO -0.21 0.88 0.25 0.00 -1.51 0.00 0.00 179.97 179.38 1v4w h LEU 32 N 0.50 0.09 0.06 0.00 3.38 -0.73 -0.75 115.31 117.86 1v4w h LEU 32 Ca 0.19 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 1v4w h LEU 32 Cb 0.07 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1v4w h LEU 32 CO -0.12 0.52 -0.34 0.40 0.09 0.00 0.00 178.44 178.99 1v4w h ILE 33 N 0.07 1.67 0.01 1.22 2.04 -0.88 -3.25 117.51 118.38 1v4w h ILE 33 Ca 0.00 -2.41 -0.19 0.00 1.00 0.00 0.00 64.86 63.27 1v4w h ILE 33 Cb 0.80 3.29 -0.02 0.00 -0.74 0.00 0.00 36.82 40.16 1v4w h ILE 33 CO 0.06 0.65 -0.87 0.58 0.00 0.00 0.00 178.15 178.57 1v4w h VAL 34 N -0.72 1.55 -2.46 1.67 2.07 -0.92 -3.36 116.25 114.09 1v4w h VAL 34 Ca -0.06 -2.76 -0.60 0.00 0.82 0.00 0.00 66.70 64.10 1v4w h VAL 34 Cb 1.26 2.52 -0.41 0.00 -1.52 0.00 0.00 31.29 33.15 1v4w h VAL 34 CO 0.06 0.80 -0.71 -1.22 0.02 0.00 0.00 177.57 176.52 1v4w n TYR 35 N -3.59 2.37 0.32 1.57 4.01 -0.29 -4.99 117.16 116.55 1v4w n TYR 35 Ca -0.02 -4.01 0.14 0.00 -0.16 0.00 0.00 57.90 53.85 1v4w n TYR 35 Cb 0.81 -0.45 0.64 0.00 -0.31 0.00 0.00 39.34 40.03 1v4w n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1v4w h PRO 36 N 4.70 0.00 -0.07 -0.72 0.13 -1.71 -1.73 132.00 132.60 1v4w h PRO 36 Ca 0.17 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.32 1v4w h PRO 36 Cb 0.75 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 1v4w h PRO 36 CO 0.69 0.00 0.13 0.11 -0.23 0.00 0.00 178.00 178.70 1v4w h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.21 115.95 114.48 1v4w h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1v4w h TRP 37 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.53 1v4w h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1v4w n THR 38 N -3.44 0.90 0.30 0.12 -2.24 -0.65 -1.87 114.28 107.40 1v4w n THR 38 Ca -0.01 0.35 0.16 0.00 -2.27 0.00 0.00 64.05 62.28 1v4w n THR 38 Cb 0.22 -1.30 0.76 0.00 -2.10 0.00 0.00 70.33 67.91 1v4w n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1v4w h GLN 39 N 0.00 0.00 -1.00 -0.78 4.20 -1.44 -3.20 115.11 112.89 1v4w h GLN 39 Ca 0.00 0.00 0.36 0.00 0.06 0.00 0.00 58.65 59.07 1v4w h GLN 39 Cb 0.27 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 27.89 1v4w h GLN 39 CO 0.00 0.00 0.53 -0.09 -0.67 0.00 0.00 178.83 178.60 1v4w h ARG 40 N 0.00 0.18 -0.01 1.46 2.43 -1.58 -2.21 114.38 114.67 1v4w h ARG 40 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1v4w h ARG 40 Cb 0.24 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1v4w h ARG 40 CO 0.00 0.12 -0.17 0.66 -1.51 0.00 0.00 179.97 179.08 1v4w n TYR 41 N -5.15 0.00 -1.75 2.20 4.02 -1.21 -4.14 117.16 111.13 1v4w n TYR 41 Ca 0.34 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 58.21 1v4w n TYR 41 Cb 1.09 -0.13 0.15 0.00 -0.02 0.00 0.00 39.34 40.43 1v4w n TYR 41 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1v4w n PHE 42 N -0.67 0.72 0.28 -0.72 3.72 -0.83 -4.75 117.46 115.20 1v4w n PHE 42 Ca 0.14 -1.66 0.15 0.00 -0.05 0.00 0.00 57.45 56.03 1v4w n PHE 42 Cb 0.32 -0.27 0.81 0.00 -0.94 0.00 0.00 39.48 39.40 1v4w n PHE 42 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1v4w h GLY 43 N 1.32 0.00 -1.78 1.37 0.00 -1.72 -2.17 103.07 100.09 1v4w h GLY 43 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1v4w h GLY 43 CO 0.20 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.74 1v4w n ALA 44 N -2.22 2.43 0.14 3.60 0.00 -1.26 -4.27 120.51 118.92 1v4w n ALA 44 Ca -0.02 -0.85 0.11 0.00 0.00 0.00 0.00 53.44 52.69 1v4w n ALA 44 Cb 0.21 -0.96 0.23 0.00 0.00 0.00 0.00 19.45 18.92 1v4w n ALA 44 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1v4w n TYR 45 N 0.93 0.58 -1.62 0.00 4.02 -0.82 -5.06 117.16 115.18 1v4w n TYR 45 Ca 0.17 -0.31 0.00 0.00 -0.01 0.00 0.00 57.90 57.75 1v4w n TYR 45 Cb 0.42 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.73 1v4w n TYR 45 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1v4w n GLY 46 N 1.44 0.48 3.64 2.72 0.00 -1.26 -4.73 105.19 107.49 1v4w n GLY 46 Ca 0.19 -1.41 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 1v4w n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1v4w s ASP 47 N -4.00 6.97 -0.11 1.61 2.15 -1.26 -4.89 116.67 117.14 1v4w s ASP 47 Ca 0.00 1.14 0.15 0.00 0.43 0.00 0.00 52.55 54.26 1v4w s ASP 47 Cb 0.00 -2.54 0.32 0.00 -0.30 0.00 0.00 42.92 40.40 1v4w s ASP 47 CO 0.00 -0.83 1.16 0.18 -0.17 0.00 0.00 175.17 175.51 1v4w n LEU 48 N 6.74 1.86 0.01 -1.34 4.77 -1.26 -4.32 117.00 123.46 1v4w n LEU 48 Ca 0.12 -2.87 -0.01 0.00 -0.03 0.00 0.00 56.01 53.23 1v4w n LEU 48 Cb 0.47 -0.32 0.27 0.00 -2.33 0.00 0.00 43.42 41.51 1v4w n LEU 48 CO 0.57 0.86 0.88 0.77 -1.33 0.00 0.00 177.39 179.14 1v4w h SER 49 N 0.58 0.48 -4.29 -1.43 4.64 -1.92 -3.44 113.55 108.16 1v4w h SER 49 Ca -0.05 -0.11 -0.31 0.00 -0.47 0.00 0.00 61.79 60.86 1v4w h SER 49 Cb 1.24 -0.13 -0.15 0.00 -0.31 0.00 0.00 62.40 63.06 1v4w h SER 49 CO 0.02 0.60 -0.68 0.42 -0.87 0.00 0.00 176.83 176.33 1v4w s THR 50 N -4.83 0.84 0.27 2.95 -4.23 -1.26 -5.01 115.64 104.36 1v4w s THR 50 Ca -0.07 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.43 1v4w s THR 50 Cb 0.15 -2.06 0.25 0.00 1.34 0.00 0.00 72.50 72.18 1v4w s THR 50 CO 0.77 -0.55 1.77 -0.65 -0.54 0.00 0.00 174.62 175.42 1v4w h PRO 51 N 2.70 0.64 -0.97 3.99 0.11 -1.99 -0.77 132.00 135.71 1v4w h PRO 51 Ca -0.37 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.76 1v4w h PRO 51 Cb 1.20 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 32.10 1v4w h PRO 51 CO 0.63 0.43 0.63 -0.44 -0.21 0.00 0.00 178.00 179.04 1v4w h ASP 52 N 0.66 1.00 -0.57 -2.05 3.32 -1.97 -1.44 116.42 115.38 1v4w h ASP 52 Ca 0.48 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.45 1v4w h ASP 52 Cb 0.66 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1v4w h ASP 52 CO -0.36 0.65 0.04 0.00 -1.72 0.00 0.00 179.24 177.85 1v4w h ALA 53 N 1.47 0.76 -0.17 3.45 0.00 -1.50 -1.97 119.26 121.31 1v4w h ALA 53 Ca 0.41 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1v4w h ALA 53 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1v4w h ALA 53 CO -0.16 0.56 0.04 0.82 0.00 0.00 0.00 179.25 180.51 1v4w h ILE 54 N 0.86 1.20 -0.22 0.00 2.04 -1.02 -1.12 117.51 119.25 1v4w h ILE 54 Ca 0.17 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.42 1v4w h ILE 54 Cb 0.49 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1v4w h ILE 54 CO 0.02 0.19 0.15 0.11 0.00 0.00 0.00 178.15 178.62 1v4w h LYS 55 N 0.08 0.21 -0.01 2.37 1.57 -1.18 -2.02 116.57 117.59 1v4w h LYS 55 Ca 0.05 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1v4w h LYS 55 Cb 0.25 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1v4w h LYS 55 CO -0.00 0.14 -0.28 0.41 -0.57 0.00 0.00 179.45 179.15 1v4w n GLY 56 N -1.52 -0.35 3.63 3.86 0.00 -0.75 -4.91 105.19 105.15 1v4w n GLY 56 Ca 0.01 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 1v4w n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1v4w s ASN 57 N -2.44 6.68 0.32 1.61 3.04 -0.45 -4.91 114.94 118.80 1v4w s ASN 57 Ca 0.24 1.15 0.06 0.00 0.04 0.00 0.00 52.86 54.35 1v4w s ASN 57 Cb 0.19 -2.54 0.56 0.00 -1.54 0.00 0.00 41.25 37.92 1v4w s ASN 57 CO 0.51 -1.09 1.79 0.00 -3.04 0.00 0.00 177.10 175.27 1v4w h ALA 58 N 9.26 1.26 -0.11 1.71 0.00 -1.90 -1.40 119.26 128.08 1v4w h ALA 58 Ca -0.26 -0.31 -0.21 0.00 0.00 0.00 0.00 54.91 54.13 1v4w h ALA 58 Cb 1.09 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.79 1v4w h ALA 58 CO 1.04 0.49 -0.77 0.87 0.00 0.00 0.00 179.25 180.88 1v4w h LYS 59 N 0.29 0.71 -0.24 0.00 1.57 -1.91 -1.55 116.57 115.44 1v4w h LYS 59 Ca 0.05 -0.62 0.02 0.00 -1.87 0.00 0.00 60.65 58.22 1v4w h LYS 59 Cb 0.60 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 1v4w h LYS 59 CO 0.04 1.23 0.11 0.82 -0.57 0.00 0.00 179.45 181.08 1v4w h ILE 60 N 0.40 0.98 -0.62 1.86 1.08 -1.82 -1.48 117.51 117.90 1v4w h ILE 60 Ca -0.07 -0.08 0.09 0.00 -0.39 0.00 0.00 64.86 64.42 1v4w h ILE 60 Cb 1.41 0.72 -0.07 0.00 -3.07 0.00 0.00 36.82 35.81 1v4w h ILE 60 CO 0.16 0.04 0.24 0.00 -0.69 0.00 0.00 178.15 177.90 1v4w h ALA 61 N 1.13 0.80 -0.45 1.87 0.00 -1.11 0.63 119.26 122.13 1v4w h ALA 61 Ca 0.10 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1v4w h ALA 61 Cb 0.04 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1v4w h ALA 61 CO -0.08 -0.18 -0.05 0.00 0.00 0.00 0.00 179.25 178.94 1v4w h ALA 62 N 1.42 1.07 -0.24 0.00 0.00 -1.05 -1.69 119.26 118.76 1v4w h ALA 62 Ca 0.31 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1v4w h ALA 62 Cb 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1v4w h ALA 62 CO -0.30 0.58 -0.37 1.25 0.00 0.00 0.00 179.25 180.41 1v4w h HIS 63 N 0.71 0.63 -0.98 0.00 6.17 -0.40 -2.12 115.15 119.16 1v4w h HIS 63 Ca 0.13 -0.17 0.05 0.00 0.71 0.00 0.00 60.37 61.09 1v4w h HIS 63 Cb 0.51 -0.14 -0.06 0.00 2.52 0.00 0.00 27.41 30.24 1v4w h HIS 63 CO 0.03 0.83 0.64 0.78 0.71 0.00 0.00 177.93 180.92 1v4w h GLY 64 N 1.06 1.45 1.12 5.26 0.00 -0.00 0.25 103.07 112.21 1v4w h GLY 64 Ca 0.05 -0.48 -0.15 0.00 0.00 0.00 0.00 47.33 46.75 1v4w h GLY 64 CO 0.07 0.38 -0.33 -2.08 0.00 0.00 0.00 176.54 174.58 1v4w h VAL 65 N 1.20 1.27 -0.48 4.60 2.07 -1.14 -2.11 116.25 121.66 1v4w h VAL 65 Ca 0.41 -1.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 1v4w h VAL 65 Cb 0.08 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1v4w h VAL 65 CO -0.14 0.51 0.19 0.50 0.02 0.00 0.00 177.57 178.65 1v4w h LYS 66 N 0.79 0.71 -0.50 1.57 3.64 -0.72 -0.10 116.57 121.96 1v4w h LYS 66 Ca 0.08 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1v4w h LYS 66 Cb 0.93 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 1v4w h LYS 66 CO 0.09 0.64 0.18 0.28 -2.27 0.00 0.00 179.45 178.37 1v4w h VAL 67 N 0.63 1.22 -0.54 2.00 2.07 -0.93 -0.47 116.25 120.23 1v4w h VAL 67 Ca 0.16 -0.70 -0.09 0.00 0.82 0.00 0.00 66.70 66.89 1v4w h VAL 67 Cb 0.19 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1v4w h VAL 67 CO -0.01 0.26 -0.04 0.25 0.02 0.00 0.00 177.57 178.05 1v4w h LEU 68 N 0.67 0.94 -1.66 2.57 6.46 -1.11 -0.13 115.31 123.04 1v4w h LEU 68 Ca 0.16 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 1v4w h LEU 68 Cb 0.22 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 39.90 1v4w h LEU 68 CO -0.01 1.01 0.00 0.45 -0.62 0.00 0.00 178.44 179.27 1v4w h HIS 69 N 0.87 0.00 0.00 1.25 3.86 -0.65 -1.96 115.15 118.52 1v4w h HIS 69 Ca 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1v4w h HIS 69 Cb 0.56 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.03 1v4w h HIS 69 CO 0.04 0.00 0.00 0.78 0.86 0.00 0.00 177.93 179.61 1v4w h GLY 70 N 1.71 0.00 1.62 2.45 0.00 0.69 -1.51 103.07 108.03 1v4w h GLY 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1v4w h GLY 70 CO 0.00 0.00 -0.25 1.04 0.00 0.00 0.00 176.54 177.33 1v4w n LEU 71 N -2.80 0.55 -0.26 3.11 4.32 -0.74 -4.14 117.00 117.04 1v4w n LEU 71 Ca -0.02 0.38 -0.04 0.00 -0.02 0.00 0.00 56.01 56.30 1v4w n LEU 71 Cb 0.09 -0.31 0.07 0.00 -1.62 0.00 0.00 43.42 41.65 1v4w n LEU 71 CO 0.18 -0.06 1.17 0.44 -1.22 0.00 0.00 177.39 177.90 1v4w h ASP 72 N 0.00 0.81 0.12 -1.43 3.32 -1.41 -1.73 116.42 116.09 1v4w h ASP 72 Ca 0.00 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1v4w h ASP 72 Cb 0.65 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1v4w h ASP 72 CO 0.00 0.58 -0.13 0.08 -1.72 0.00 0.00 179.24 178.04 1v4w h ARG 73 N 0.96 0.04 -0.37 3.56 0.11 -1.75 -0.94 114.38 115.99 1v4w h ARG 73 Ca 0.28 -0.01 -0.15 0.00 0.10 0.00 0.00 59.98 60.20 1v4w h ARG 73 Cb -0.07 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 30.99 1v4w h ARG 73 CO -0.08 0.18 -0.35 0.00 0.10 0.00 0.00 179.97 179.83 1v4w h ALA 74 N 1.82 0.69 -0.08 0.08 0.00 -1.57 -1.06 119.26 119.14 1v4w h ALA 74 Ca 0.01 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 1v4w h ALA 74 Cb 0.27 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1v4w h ALA 74 CO 0.02 0.67 -0.43 0.28 0.00 0.00 0.00 179.25 179.79 1v4w h VAL 75 N 0.70 1.32 0.00 0.00 2.07 -0.85 -2.51 116.25 116.98 1v4w h VAL 75 Ca 0.07 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.04 1v4w h VAL 75 Cb 0.91 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1v4w h VAL 75 CO 0.08 0.46 -0.76 0.11 0.02 0.00 0.00 177.57 177.48 1v4w h LYS 76 N 0.16 0.00 -2.08 1.57 1.57 -1.28 -3.38 116.57 113.13 1v4w h LYS 76 Ca 0.01 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.26 1v4w h LYS 76 Cb 0.83 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.73 1v4w h LYS 76 CO 0.06 0.00 -1.01 -1.71 -0.57 0.00 0.00 179.45 176.22 1v4w n ASN 77 N -2.78 1.75 0.29 0.86 5.15 -0.41 -4.94 115.26 115.17 1v4w n ASN 77 Ca 0.01 -3.13 0.18 0.00 -0.60 0.00 0.00 54.58 51.03 1v4w n ASN 77 Cb 0.54 -0.61 0.75 0.00 -0.53 0.00 0.00 39.78 39.93 1v4w n ASN 77 CO 0.00 0.00 0.00 0.24 1.40 0.00 0.00 177.26 178.90 1v4w h MET 78 N 3.28 0.00 -0.01 1.20 2.86 -1.65 -2.31 114.93 118.30 1v4w h MET 78 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1v4w h MET 78 Cb 0.82 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.48 1v4w h MET 78 CO 0.59 0.00 -0.43 -0.25 1.06 0.00 0.00 176.91 177.88 1v4w n ASP 79 N -3.10 1.27 -1.93 1.22 8.00 -1.26 -4.29 116.55 116.46 1v4w n ASP 79 Ca 0.00 -1.02 -0.02 0.00 0.71 0.00 0.00 54.79 54.46 1v4w n ASP 79 Cb 0.28 0.35 0.06 0.00 -0.02 0.00 0.00 41.12 41.78 1v4w n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1v4w n ASN 80 N -0.65 2.06 -0.26 -2.24 4.05 -0.88 -4.92 115.26 112.42 1v4w n ASN 80 Ca 0.10 -2.64 -0.05 0.00 0.45 0.00 0.00 54.58 52.43 1v4w n ASN 80 Cb 0.38 -0.41 0.06 0.00 1.23 0.00 0.00 39.78 41.04 1v4w n ASN 80 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1v4w h ILE 81 N 4.64 1.21 -0.26 -1.44 2.04 -1.72 -1.57 117.51 120.41 1v4w h ILE 81 Ca -0.05 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 65.35 1v4w h ILE 81 Cb 1.47 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1v4w h ILE 81 CO 0.24 0.23 0.06 0.78 0.00 0.00 0.00 178.15 179.45 1v4w h ASN 82 N 0.98 0.03 -0.34 1.72 2.35 -1.91 -1.77 115.58 116.65 1v4w h ASN 82 Ca 0.26 0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.95 1v4w h ASN 82 Cb -0.00 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 1v4w h ASN 82 CO -0.04 0.05 -0.11 -0.08 -1.65 0.00 0.00 177.43 175.59 1v4w h GLU 83 N 0.17 0.77 0.00 0.81 4.22 -1.94 -2.60 114.58 116.00 1v4w h GLU 83 Ca 0.12 -0.26 -0.05 0.00 0.08 0.00 0.00 59.36 59.26 1v4w h GLU 83 Cb 0.11 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1v4w h GLU 83 CO -0.15 0.86 -0.22 0.00 -2.18 0.00 0.00 179.01 177.31 1v4w h ALA 84 N 1.17 1.50 -0.19 2.92 0.00 -0.78 -2.85 119.26 121.04 1v4w h ALA 84 Ca 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1v4w h ALA 84 Cb 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1v4w h ALA 84 CO 0.04 0.28 0.00 0.66 0.00 0.00 0.00 179.25 180.23 1v4w n TYR 85 N -4.08 0.22 -0.16 0.00 4.02 -0.71 -4.61 117.16 111.85 1v4w n TYR 85 Ca -0.02 -0.13 -0.04 0.00 -0.01 0.00 0.00 57.90 57.70 1v4w n TYR 85 Cb 0.29 -0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.64 1v4w n TYR 85 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 1v4w h SER 86 N 3.91 -0.64 0.17 7.72 0.02 -1.21 1.00 113.55 124.51 1v4w h SER 86 Ca 0.00 0.17 -0.16 0.00 -0.84 0.00 0.00 61.79 60.95 1v4w h SER 86 Cb 0.87 0.37 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 1v4w h SER 86 CO 0.00 -0.22 -0.61 1.05 -1.14 0.00 0.00 176.83 175.92 1v4w h GLU 87 N -0.07 0.44 -0.19 3.45 9.09 -1.81 -2.31 114.58 123.18 1v4w h GLU 87 Ca 0.23 -0.30 -0.11 0.00 0.05 0.00 0.00 59.36 59.23 1v4w h GLU 87 Cb 0.43 0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.56 1v4w h GLU 87 CO -0.54 0.91 -0.37 1.25 0.05 0.00 0.00 179.01 180.31 1v4w h LEU 88 N 0.32 0.43 -0.24 3.06 5.85 -1.67 -1.33 115.31 121.74 1v4w h LEU 88 Ca -0.01 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 1v4w h LEU 88 Cb 1.15 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 1v4w h LEU 88 CO 0.11 0.77 0.07 -1.28 -0.34 0.00 0.00 178.44 177.77 1v4w h SER 89 N 0.35 0.35 -0.09 1.25 0.87 -0.61 -1.61 113.55 114.06 1v4w h SER 89 Ca 0.04 -0.21 -0.09 0.00 -1.23 0.00 0.00 61.79 60.30 1v4w h SER 89 Cb 0.82 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 1v4w h SER 89 CO 0.07 0.46 -0.21 -0.37 -0.53 0.00 0.00 176.83 176.25 1v4w h VAL 90 N 0.21 1.25 -0.14 2.23 -1.51 -1.19 -0.60 116.25 116.50 1v4w h VAL 90 Ca 0.08 -1.19 0.03 0.00 -1.23 0.00 0.00 66.70 64.39 1v4w h VAL 90 Cb 0.24 1.28 -0.03 0.00 -2.13 0.00 0.00 31.29 30.65 1v4w h VAL 90 CO -0.00 0.38 -0.04 0.25 -1.23 0.00 0.00 177.57 176.93 1v4w h LEU 91 N 0.44 -0.15 -0.80 4.19 5.85 -1.12 0.65 115.31 124.36 1v4w h LEU 91 Ca 0.07 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.72 1v4w h LEU 91 Cb 0.61 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1v4w h LEU 91 CO 0.04 -0.06 -0.33 0.45 -0.34 0.00 0.00 178.44 178.21 1v4w h HIS 92 N -0.01 0.60 0.39 1.25 3.86 -1.01 -0.86 115.15 119.37 1v4w h HIS 92 Ca 0.07 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.11 1v4w h HIS 92 Cb 0.12 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1v4w h HIS 92 CO -0.18 0.79 -0.19 1.03 0.86 0.00 0.00 177.93 180.24 1v4w h SER 93 N 0.45 -0.44 0.73 2.45 0.87 -0.79 0.09 113.55 116.91 1v4w h SER 93 Ca 0.05 0.02 -0.21 0.00 -1.23 0.00 0.00 61.79 60.42 1v4w h SER 93 Cb 0.79 0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.83 1v4w h SER 93 CO 0.06 -0.02 -1.39 0.44 -0.53 0.00 0.00 176.83 175.39 1v4w h ASP 94 N -1.11 0.00 0.00 6.23 3.32 0.23 -3.12 116.42 121.97 1v4w h ASP 94 Ca -0.05 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.63 1v4w h ASP 94 Cb 0.40 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.89 1v4w h ASP 94 CO 0.09 0.76 -2.30 0.29 -1.72 0.00 0.00 179.24 176.35 1v4w n LYS 95 N -3.02 0.53 0.05 3.56 4.01 -0.87 -4.69 118.16 117.74 1v4w n LYS 95 Ca -0.10 0.18 0.05 0.00 -0.51 0.00 0.00 58.31 57.93 1v4w n LYS 95 Cb 0.91 -1.40 -0.06 0.00 -0.51 0.00 0.00 35.03 33.98 1v4w n LYS 95 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1v4w n LEU 96 N -3.62 0.74 -3.88 -0.35 4.77 -0.38 -4.98 117.00 109.29 1v4w n LEU 96 Ca -0.43 0.31 -0.28 0.00 -0.03 0.00 0.00 56.01 55.57 1v4w n LEU 96 Cb 0.88 0.03 0.02 0.00 -2.33 0.00 0.00 43.42 42.01 1v4w n LEU 96 CO 0.12 0.00 0.03 1.41 -1.33 0.00 0.00 177.39 177.63 1v4w n HIS 97 N -2.74 -2.13 -2.68 -1.77 8.25 -0.13 -4.95 115.22 109.08 1v4w n HIS 97 Ca -0.06 0.87 -0.43 0.00 -0.26 0.00 0.00 57.72 57.85 1v4w n HIS 97 Cb 0.70 -4.01 -0.02 0.00 1.12 0.00 0.00 29.99 27.78 1v4w n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1v4w s VAL 98 N -3.44 4.74 0.05 1.59 1.01 -0.31 -4.99 120.40 119.05 1v4w s VAL 98 Ca 0.46 2.04 -0.30 0.00 0.00 0.00 0.00 61.98 64.18 1v4w s VAL 98 Cb -0.23 -4.31 -0.09 0.00 0.00 0.00 0.00 36.38 31.75 1v4w s VAL 98 CO 0.84 -0.06 1.95 -0.62 0.00 0.00 0.00 175.10 177.21 1v4w s ASP 99 N 1.14 6.44 0.23 3.32 -1.08 -1.26 -4.73 116.67 120.73 1v4w s ASP 99 Ca 0.47 2.69 0.21 0.00 -0.52 0.00 0.00 52.55 55.40 1v4w s ASP 99 Cb -0.17 -2.53 0.94 0.00 -1.46 0.00 0.00 42.92 39.69 1v4w s ASP 99 CO 0.14 -1.05 1.65 -0.81 0.52 0.00 0.00 175.17 175.62 1v4w n PRO 100 N 7.33 0.16 0.26 4.34 -0.04 -1.26 -1.26 135.00 144.53 1v4w n PRO 100 Ca 0.20 0.44 0.09 0.00 -0.04 0.00 0.00 63.50 64.19 1v4w n PRO 100 Cb 0.41 -1.83 0.68 0.00 -0.04 0.00 0.00 33.50 32.72 1v4w n PRO 100 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1v4w h ASP 101 N 0.00 0.00 0.40 3.54 3.58 -2.00 -1.63 116.42 120.31 1v4w h ASP 101 Ca 0.00 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.42 1v4w h ASP 101 Cb 0.29 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.33 1v4w h ASP 101 CO 0.00 0.02 -0.16 0.78 -2.88 0.00 0.00 179.24 177.00 1v4w h ASN 102 N 0.00 0.00 -0.67 2.28 -0.26 -1.56 -2.34 115.58 113.03 1v4w h ASN 102 Ca -0.00 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.71 1v4w h ASN 102 Cb 0.04 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.27 1v4w h ASN 102 CO 0.00 0.16 0.28 -0.26 -1.06 0.00 0.00 177.43 176.56 1v4w h PHE 103 N 0.00 1.00 -0.37 1.19 0.04 -1.46 -0.37 116.94 116.97 1v4w h PHE 103 Ca -0.00 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 1v4w h PHE 103 Cb 0.41 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 1v4w h PHE 103 CO 0.00 0.77 0.17 -0.09 -0.60 0.00 0.00 178.31 178.56 1v4w h ARG 104 N 0.94 0.53 -0.57 1.51 2.43 -1.51 -1.18 114.38 116.52 1v4w h ARG 104 Ca 0.22 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.27 1v4w h ARG 104 Cb 0.18 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1v4w h ARG 104 CO -0.02 0.48 0.17 0.82 -1.51 0.00 0.00 179.97 179.92 1v4w h ILE 105 N 0.45 1.24 -0.80 1.20 2.04 -1.26 -1.14 117.51 119.23 1v4w h ILE 105 Ca 0.12 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.15 1v4w h ILE 105 Cb 0.13 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 1v4w h ILE 105 CO -0.01 0.31 0.45 0.25 0.00 0.00 0.00 178.15 179.14 1v4w h LEU 106 N 0.81 0.99 -0.84 1.44 5.85 -0.96 -1.58 115.31 121.01 1v4w h LEU 106 Ca 0.18 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1v4w h LEU 106 Cb 0.29 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 1v4w h LEU 106 CO -0.00 0.79 0.54 1.23 -0.34 0.00 0.00 178.44 180.66 1v4w h GLY 107 N 1.11 1.21 1.01 3.75 0.00 -0.41 0.51 103.07 110.24 1v4w h GLY 107 Ca 0.28 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 1v4w h GLY 107 CO -0.05 0.36 0.31 -0.55 0.00 0.00 0.00 176.54 176.61 1v4w h ASP 108 N 1.06 0.89 -0.87 0.19 3.32 -0.82 -0.91 116.42 119.29 1v4w h ASP 108 Ca 0.33 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 1v4w h ASP 108 Cb -0.02 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.26 1v4w h ASP 108 CO -0.11 0.79 0.45 0.00 -1.72 0.00 0.00 179.24 178.65 1v4w h LEU 110 N 1.23 0.93 -0.46 0.00 5.85 -0.59 -1.09 115.31 121.18 1v4w h LEU 110 Ca 0.30 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.74 1v4w h LEU 110 Cb 0.06 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 1v4w h LEU 110 CO -0.04 1.08 0.23 0.74 -0.34 0.00 0.00 178.44 180.10 1v4w h THR 111 N 0.81 0.97 -0.59 1.05 2.02 -0.89 0.95 112.91 117.23 1v4w h THR 111 Ca 0.12 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 1v4w h THR 111 Cb 0.71 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 1v4w h THR 111 CO 0.05 0.08 0.24 0.58 0.37 0.00 0.00 175.52 176.85 1v4w h VAL 112 N 0.46 1.22 -0.39 3.16 2.07 -0.94 0.26 116.25 122.09 1v4w h VAL 112 Ca 0.20 -0.69 -0.07 0.00 0.82 0.00 0.00 66.70 66.95 1v4w h VAL 112 Cb 0.10 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1v4w h VAL 112 CO -0.13 0.27 -0.04 0.58 0.02 0.00 0.00 177.57 178.27 1v4w h VAL 113 N 0.81 1.27 -0.57 2.57 2.07 -0.85 -1.22 116.25 120.33 1v4w h VAL 113 Ca 0.20 -1.08 -0.09 0.00 0.82 0.00 0.00 66.70 66.55 1v4w h VAL 113 Cb 0.19 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1v4w h VAL 113 CO -0.02 0.36 0.00 0.40 0.02 0.00 0.00 177.57 178.34 1v4w h ILE 114 N 0.54 1.26 -0.82 4.57 2.04 -0.67 -1.40 117.51 123.03 1v4w h ILE 114 Ca 0.11 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 64.86 1v4w h ILE 114 Cb 0.53 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 1v4w h ILE 114 CO 0.03 0.40 0.51 0.00 0.00 0.00 0.00 178.15 179.09 1v4w h ALA 115 N 1.09 1.04 -0.32 1.87 0.00 -0.75 -0.23 119.26 121.96 1v4w h ALA 115 Ca 0.16 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1v4w h ALA 115 Cb 0.52 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1v4w h ALA 115 CO 0.03 0.48 -0.23 0.00 0.00 0.00 0.00 179.25 179.53 1v4w h ALA 116 N 1.28 1.00 -0.23 0.00 0.00 -0.92 -1.07 119.26 119.31 1v4w h ALA 116 Ca 0.30 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1v4w h ALA 116 Cb -0.08 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1v4w h ALA 116 CO -0.06 0.59 -0.35 -0.97 0.00 0.00 0.00 179.25 178.46 1v4w h ASN 117 N 0.55 0.71 1.08 0.00 -0.73 -0.85 -3.33 115.58 113.01 1v4w h ASN 117 Ca 0.08 -0.52 -0.13 0.00 1.87 0.00 0.00 56.30 57.60 1v4w h ASN 117 Cb 0.69 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 39.06 1v4w h ASN 117 CO 0.05 1.09 -0.98 -0.07 -0.37 0.00 0.00 177.43 177.15 1v4w h LEU 118 N 0.35 0.00 0.00 0.34 4.07 -1.02 -3.49 115.31 115.56 1v4w h LEU 118 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.98 1v4w h LEU 118 Cb 0.94 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.68 1v4w h LEU 118 CO 0.08 0.51 0.00 0.61 -1.08 0.00 0.00 178.44 178.56 1v4w n GLY 119 N 1.31 3.47 0.34 0.83 0.00 -0.41 -1.88 105.19 108.84 1v4w n GLY 119 Ca -0.04 -0.05 0.16 0.00 0.00 0.00 0.00 46.02 46.09 1v4w n GLY 119 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1v4w h ASP 120 N 0.00 0.00 0.45 1.61 3.32 -1.95 0.01 116.42 119.86 1v4w h ASP 120 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1v4w h ASP 120 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1v4w h ASP 120 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1v4w n ALA 121 N -2.51 1.43 -2.51 3.45 0.00 -0.79 -3.91 120.51 115.67 1v4w n ALA 121 Ca 0.04 0.12 -0.43 0.00 0.00 0.00 0.00 53.44 53.17 1v4w n ALA 121 Cb 0.39 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1v4w n ALA 121 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1v4w n PHE 122 N -2.23 3.73 -1.33 0.00 7.35 -0.01 -4.90 117.46 120.07 1v4w n PHE 122 Ca 0.01 -2.99 -0.29 0.00 -0.76 0.00 0.00 57.45 53.42 1v4w n PHE 122 Cb 0.15 -2.10 0.16 0.00 0.35 0.00 0.00 39.48 38.05 1v4w n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1v4w s THR 123 N 1.12 2.07 0.18 -2.13 -4.23 -1.25 -4.76 115.64 106.63 1v4w s THR 123 Ca 0.42 0.02 -0.14 0.00 -1.18 0.00 0.00 61.69 60.81 1v4w s THR 123 Cb 0.06 -2.62 0.07 0.00 1.34 0.00 0.00 72.50 71.34 1v4w s THR 123 CO 0.00 -0.03 1.77 0.58 -0.54 0.00 0.00 174.62 176.40 1v4w h VAL 124 N -1.72 0.90 -0.93 2.29 2.07 -1.93 -0.71 116.25 116.22 1v4w h VAL 124 Ca -0.53 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 66.90 1v4w h VAL 124 Cb 1.33 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.51 1v4w h VAL 124 CO 0.59 0.07 0.61 -0.33 0.02 0.00 0.00 177.57 178.53 1v4w h GLU 125 N 0.41 1.10 -0.38 1.57 4.39 -1.99 -0.33 114.58 119.36 1v4w h GLU 125 Ca 0.22 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.81 1v4w h GLU 125 Cb 0.17 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1v4w h GLU 125 CO -0.19 0.73 0.10 1.15 -1.16 0.00 0.00 179.01 179.64 1v4w h THR 126 N 1.13 1.22 -0.57 1.13 2.02 -1.72 -1.53 112.91 114.60 1v4w h THR 126 Ca 0.38 -0.75 -0.09 0.00 0.77 0.00 0.00 66.41 66.71 1v4w h THR 126 Cb 0.07 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1v4w h THR 126 CO -0.12 0.26 -0.01 -0.61 0.37 0.00 0.00 175.52 175.40 1v4w h GLN 127 N 0.46 0.99 -0.26 6.66 4.15 -0.46 -0.38 115.11 126.26 1v4w h GLN 127 Ca 0.12 -0.30 0.03 0.00 0.77 0.00 0.00 58.65 59.27 1v4w h GLN 127 Cb 0.29 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.86 1v4w h GLN 127 CO 0.00 0.98 0.06 0.00 -1.93 0.00 0.00 178.83 177.93 1v4w h ALA 129 N 1.18 0.54 -0.47 0.00 0.00 -0.91 -2.18 119.26 117.43 1v4w h ALA 129 Ca 0.12 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1v4w h ALA 129 Cb 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1v4w h ALA 129 CO -0.15 0.57 -0.13 0.35 0.00 0.00 0.00 179.25 179.89 1v4w h PHE 130 N 0.66 0.98 -0.61 0.00 3.57 -0.92 -1.51 116.94 119.12 1v4w h PHE 130 Ca 0.07 -0.20 -0.09 0.00 3.53 0.00 0.00 57.97 61.28 1v4w h PHE 130 Cb 0.87 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 1v4w h PHE 130 CO 0.06 0.95 0.01 0.37 -2.23 0.00 0.00 178.31 177.47 1v4w h GLN 131 N 0.79 1.06 -0.71 1.11 -0.00 -0.87 -0.52 115.11 115.97 1v4w h GLN 131 Ca 0.12 -0.33 -0.03 0.00 -0.00 0.00 0.00 58.65 58.42 1v4w h GLN 131 Cb 0.65 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 28.00 1v4w h GLN 131 CO 0.05 1.03 0.34 -0.22 0.00 0.00 0.00 178.83 180.03 1v4w h LYS 132 N 0.96 1.03 -0.16 1.69 3.64 -1.15 -0.26 116.57 122.33 1v4w h LYS 132 Ca 0.17 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1v4w h LYS 132 Cb 0.54 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1v4w h LYS 132 CO 0.03 0.81 0.05 0.35 -2.27 0.00 0.00 179.45 178.42 1v4w h PHE 133 N 1.00 0.25 -0.89 1.91 3.57 -0.93 -2.16 116.94 119.69 1v4w h PHE 133 Ca 0.24 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 1v4w h PHE 133 Cb 0.12 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.75 1v4w h PHE 133 CO 0.01 0.34 0.49 -0.07 -2.23 0.00 0.00 178.31 176.85 1v4w h LEU 134 N 0.08 1.11 -0.68 0.59 4.07 -0.84 -1.00 115.31 118.64 1v4w h LEU 134 Ca 0.05 -0.10 -0.02 0.00 0.08 0.00 0.00 57.88 57.90 1v4w h LEU 134 Cb 0.21 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.64 1v4w h LEU 134 CO -0.00 0.89 0.36 0.00 -1.08 0.00 0.00 178.44 178.61 1v4w h ALA 135 N 1.29 0.87 -0.33 1.53 0.00 -0.78 0.45 119.26 122.29 1v4w h ALA 135 Ca 0.31 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1v4w h ALA 135 Cb 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1v4w h ALA 135 CO -0.05 0.41 -0.16 0.28 0.00 0.00 0.00 179.25 179.73 1v4w h VAL 136 N 0.94 1.29 -0.39 0.00 2.07 -0.99 -1.15 116.25 118.01 1v4w h VAL 136 Ca 0.24 -1.27 -0.05 0.00 0.82 0.00 0.00 66.70 66.44 1v4w h VAL 136 Cb 0.07 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1v4w h VAL 136 CO -0.04 0.41 0.06 0.58 0.02 0.00 0.00 177.57 178.61 1v4w h VAL 137 N 0.47 1.24 -0.54 2.57 2.07 -0.95 -0.28 116.25 120.83 1v4w h VAL 137 Ca 0.07 -0.86 -0.07 0.00 0.82 0.00 0.00 66.70 66.66 1v4w h VAL 137 Cb 0.69 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1v4w h VAL 137 CO 0.05 0.29 0.04 0.58 0.02 0.00 0.00 177.57 178.55 1v4w h VAL 138 N 0.50 1.25 -0.43 2.57 2.07 -0.85 -0.26 116.25 121.10 1v4w h VAL 138 Ca 0.12 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 1v4w h VAL 138 Cb 0.37 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1v4w h VAL 138 CO 0.01 0.36 0.15 0.15 0.02 0.00 0.00 177.57 178.26 1v4w h PHE 139 N 0.83 0.67 -0.94 1.57 3.57 -1.01 -2.48 116.94 119.16 1v4w h PHE 139 Ca 0.16 -0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.62 1v4w h PHE 139 Cb 0.44 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.93 1v4w h PHE 139 CO 0.03 0.60 0.62 0.00 -2.23 0.00 0.00 178.31 177.32 1v4w h ALA 140 N 1.00 1.36 0.00 2.41 0.00 -0.51 -1.76 119.26 121.76 1v4w h ALA 140 Ca 0.14 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1v4w h ALA 140 Cb 0.22 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1v4w h ALA 140 CO -0.01 0.58 -0.02 -0.07 0.00 0.00 0.00 179.25 179.73 1v4w h LEU 141 N 1.23 0.00 -0.57 0.00 3.38 -0.78 -2.85 115.31 115.73 1v4w h LEU 141 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1v4w h LEU 141 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1v4w h LEU 141 CO -0.09 0.02 -0.28 0.61 0.09 0.00 0.00 178.44 178.79 1v4w n GLY 142 N 0.23 -0.51 0.23 0.83 0.00 -0.69 -4.47 105.19 100.81 1v4w n GLY 142 Ca 0.01 -0.44 -0.05 0.00 0.00 0.00 0.00 46.02 45.54 1v4w n GLY 142 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1v4w h ARG 143 N 1.39 0.53 -0.60 1.61 -0.00 -1.25 -2.96 114.38 113.10 1v4w h ARG 143 Ca 0.00 -0.23 0.00 0.00 -0.50 0.00 0.00 59.98 59.25 1v4w h ARG 143 Cb 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.49 1v4w h ARG 143 CO 0.00 0.78 0.00 1.63 0.00 0.00 0.00 179.97 182.38 1v4w n LYS 144 N -4.08 2.42 -2.35 0.04 4.76 -1.26 -4.89 118.16 112.81 1v4w n LYS 144 Ca -0.01 -2.15 -0.41 0.00 -2.87 0.00 0.00 58.31 52.87 1v4w n LYS 144 Cb 0.45 -1.48 -0.03 0.00 -1.84 0.00 0.00 35.03 32.13 1v4w n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1v4w s TYR 145 N -1.24 3.40 0.00 2.13 1.51 -1.12 -4.78 117.35 117.25 1v4w s TYR 145 Ca 0.40 1.38 0.00 0.00 -1.01 0.00 0.00 57.07 57.84 1v4w s TYR 145 Cb 0.21 -3.46 0.00 0.00 -0.11 0.00 0.00 41.96 38.60 1v4w s TYR 145 CO 0.27 -1.32 0.00 -2.39 -1.11 0.00 0.00 175.55 171.00