#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4vhb s LEU 2 N 0.00 4.33 0.77 4.03 2.96 -1.26 -5.05 118.68 124.46 4vhb s LEU 2 Ca 0.00 1.15 -0.10 0.00 -0.22 0.00 0.00 54.13 54.96 4vhb s LEU 2 Cb 0.00 -3.03 0.07 0.00 0.50 0.00 0.00 46.19 43.73 4vhb s LEU 2 CO 0.00 -0.07 1.13 1.51 -1.32 0.00 0.00 176.35 177.59 4vhb s ASP 3 N 0.64 4.66 0.12 3.68 -4.77 -1.26 -4.91 116.67 114.84 4vhb s ASP 3 Ca 0.36 0.72 -0.14 0.00 -3.30 0.00 0.00 52.55 50.18 4vhb s ASP 3 Cb -0.18 -1.28 -0.03 0.00 -1.09 0.00 0.00 42.92 40.35 4vhb s ASP 3 CO 0.17 -1.78 1.55 -0.61 0.70 0.00 0.00 175.17 175.20 4vhb h GLN 4 N -0.90 0.72 -0.60 2.11 4.15 -1.98 -1.21 115.11 117.40 4vhb h GLN 4 Ca -0.46 -0.25 0.14 0.00 0.77 0.00 0.00 58.65 58.85 4vhb h GLN 4 Cb 1.32 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.92 4vhb h GLN 4 CO 0.64 0.83 0.41 0.37 -1.93 0.00 0.00 178.83 179.16 4vhb h GLN 5 N 0.54 0.20 0.11 1.69 5.75 -1.98 0.88 115.11 122.30 4vhb h GLN 5 Ca 0.11 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.59 4vhb h GLN 5 Cb 0.53 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.04 4vhb h GLN 5 CO 0.03 0.13 -0.05 1.15 -2.65 0.00 0.00 178.83 177.44 4vhb h THR 6 N 0.21 1.00 -0.91 2.39 2.02 -1.92 0.26 112.91 115.95 4vhb h THR 6 Ca 0.29 -1.33 0.07 0.00 0.77 0.00 0.00 66.41 66.20 4vhb h THR 6 Cb 0.84 1.73 -0.06 0.00 -1.74 0.00 0.00 68.15 68.91 4vhb h THR 6 CO -0.05 0.28 0.59 0.40 0.37 0.00 0.00 175.52 177.11 4vhb h ILE 7 N -0.86 1.06 -0.01 3.11 2.04 -0.12 0.59 117.51 123.32 4vhb h ILE 7 Ca -0.01 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 4vhb h ILE 7 Cb 0.56 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 4vhb h ILE 7 CO 0.02 0.19 0.01 0.78 0.00 0.00 0.00 178.15 179.15 4vhb h ASN 8 N 1.03 0.01 -0.98 1.72 -0.26 0.81 0.10 115.58 118.01 4vhb h ASN 8 Ca 0.39 -0.04 0.02 0.00 -0.56 0.00 0.00 56.30 56.11 4vhb h ASN 8 Cb 0.21 -0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.41 4vhb h ASN 8 CO -0.15 0.05 0.65 0.40 -1.06 0.00 0.00 177.43 177.32 4vhb h ILE 9 N -0.03 1.21 0.33 2.81 2.04 0.77 -1.60 117.51 123.04 4vhb h ILE 9 Ca 0.00 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 4vhb h ILE 9 Cb 0.04 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 35.94 4vhb h ILE 9 CO -0.00 0.23 -0.16 0.40 0.00 0.00 0.00 178.15 178.63 4vhb h ILE 10 N 1.29 0.69 -0.73 -0.67 1.08 0.16 -0.39 117.51 118.93 4vhb h ILE 10 Ca 0.38 -0.25 0.07 0.00 -0.39 0.00 0.00 64.86 64.66 4vhb h ILE 10 Cb -0.07 0.83 -0.06 0.00 -3.07 0.00 0.00 36.82 34.45 4vhb h ILE 10 CO -0.10 0.05 0.42 0.11 -0.69 0.00 0.00 178.15 177.94 4vhb h LYS 11 N -0.58 0.73 -0.44 2.37 1.79 -0.65 -0.64 116.57 119.14 4vhb h LYS 11 Ca -0.05 -0.04 -0.14 0.00 -2.18 0.00 0.00 60.65 58.24 4vhb h LYS 11 Cb 0.43 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 4vhb h LYS 11 CO 0.07 0.48 -0.26 0.00 -1.08 0.00 0.00 179.45 178.67 4vhb h ALA 12 N 1.38 0.63 0.00 3.86 0.00 -1.26 -3.35 119.26 120.52 4vhb h ALA 12 Ca 0.33 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 4vhb h ALA 12 Cb 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 4vhb h ALA 12 CO -0.19 0.65 -1.19 0.25 0.00 0.00 0.00 179.25 178.77 4vhb n THR 13 N -4.12 0.86 -0.25 0.00 -2.24 -0.16 -4.41 114.28 103.95 4vhb n THR 13 Ca -0.01 -0.61 0.04 0.00 -2.27 0.00 0.00 64.05 61.20 4vhb n THR 13 Cb 0.48 -0.51 0.17 0.00 -2.10 0.00 0.00 70.33 68.37 4vhb n THR 13 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 4vhb h VAL 14 N 0.00 0.69 -0.58 2.28 2.07 -1.26 -0.73 116.25 118.72 4vhb h VAL 14 Ca -0.07 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.33 4vhb h VAL 14 Cb 1.25 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 4vhb h VAL 14 CO 0.02 0.08 0.39 -0.65 0.02 0.00 0.00 177.57 177.43 4vhb h PRO 15 N 0.46 0.61 -0.19 1.57 0.11 -1.78 0.24 132.00 133.02 4vhb h PRO 15 Ca 0.40 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.41 4vhb h PRO 15 Cb 0.57 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 4vhb h PRO 15 CO -0.38 0.41 -0.11 0.28 -0.21 0.00 0.00 178.00 177.98 4vhb h VAL 16 N 0.63 1.31 -0.71 3.15 2.07 -1.43 -2.28 116.25 118.99 4vhb h VAL 16 Ca 0.24 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.57 4vhb h VAL 16 Cb 0.16 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 4vhb h VAL 16 CO -0.07 0.36 0.47 -0.07 0.02 0.00 0.00 177.57 178.28 4vhb h LEU 17 N 0.10 0.82 -1.27 2.57 3.38 -0.05 -2.57 115.31 118.29 4vhb h LEU 17 Ca 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 4vhb h LEU 17 Cb 0.61 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 4vhb h LEU 17 CO 0.03 0.59 0.45 0.11 0.09 0.00 0.00 178.44 179.71 4vhb h LYS 18 N 0.96 0.94 -0.86 1.13 1.57 -0.56 0.01 116.57 119.76 4vhb h LYS 18 Ca 0.26 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 4vhb h LYS 18 Cb -0.11 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 31.95 4vhb h LYS 18 CO -0.06 0.64 0.57 0.93 -0.57 0.00 0.00 179.45 180.96 4vhb h GLU 19 N 0.96 1.12 -0.63 3.15 5.08 -1.02 -1.06 114.58 122.19 4vhb h GLU 19 Ca 0.26 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 4vhb h GLU 19 Cb -0.08 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 28.92 4vhb h GLU 19 CO -0.05 0.74 0.00 0.72 -1.00 0.00 0.00 179.01 179.42 4vhb n HIS 20 N -4.41 0.91 -0.30 4.33 8.25 -0.15 -4.67 115.22 119.17 4vhb n HIS 20 Ca 0.10 -0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 4vhb n HIS 20 Cb 0.03 -0.20 0.05 0.00 1.12 0.00 0.00 29.99 30.99 4vhb n HIS 20 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 4vhb n GLY 21 N 0.67 -1.57 0.35 -1.41 0.00 -0.36 -0.65 105.19 102.21 4vhb n GLY 21 Ca 0.15 0.88 0.05 0.00 0.00 0.00 0.00 46.02 47.10 4vhb n GLY 21 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 4vhb h VAL 22 N 0.00 1.06 -0.07 1.61 3.04 -1.85 0.17 116.25 120.21 4vhb h VAL 22 Ca 0.30 -0.26 -0.10 0.00 -1.01 0.00 0.00 66.70 65.63 4vhb h VAL 22 Cb 0.50 0.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.02 4vhb h VAL 22 CO -0.80 0.14 -0.36 0.74 -1.01 0.00 0.00 177.57 176.29 4vhb h THR 23 N 0.76 1.42 -0.18 3.17 2.02 -1.26 -2.22 112.91 116.62 4vhb h THR 23 Ca 0.28 -1.77 -0.01 0.00 0.77 0.00 0.00 66.41 65.69 4vhb h THR 23 Cb 0.16 2.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 4vhb h THR 23 CO -0.08 0.51 0.09 0.40 0.37 0.00 0.00 175.52 176.80 4vhb h ILE 24 N -0.13 1.12 -0.37 3.11 2.04 -0.92 -1.54 117.51 120.82 4vhb h ILE 24 Ca -0.03 -0.35 0.06 0.00 1.00 0.00 0.00 64.86 65.54 4vhb h ILE 24 Cb 1.01 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 4vhb h ILE 24 CO 0.07 0.12 0.08 0.74 0.00 0.00 0.00 178.15 179.16 4vhb h THR 25 N 0.16 0.81 -0.19 -0.27 2.02 -1.00 0.16 112.91 114.61 4vhb h THR 25 Ca 0.06 -0.07 -0.17 0.00 0.77 0.00 0.00 66.41 67.00 4vhb h THR 25 Cb 0.11 0.60 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 4vhb h THR 25 CO -0.01 0.04 -0.57 0.71 0.37 0.00 0.00 175.52 176.06 4vhb h THR 26 N 0.20 1.32 -0.28 3.16 1.35 -1.29 -2.10 112.91 115.27 4vhb h THR 26 Ca 0.18 -1.82 -0.12 0.00 -0.55 0.00 0.00 66.41 64.10 4vhb h THR 26 Cb 0.20 1.79 -0.00 0.00 -1.73 0.00 0.00 68.15 68.41 4vhb h THR 26 CO -0.23 0.57 -0.28 0.74 -0.25 0.00 0.00 175.52 176.06 4vhb h THR 27 N 0.44 1.30 0.04 6.82 2.02 -1.18 -1.86 112.91 120.50 4vhb h THR 27 Ca 0.00 -1.45 0.03 0.00 0.77 0.00 0.00 66.41 65.76 4vhb h THR 27 Cb 1.13 1.60 -0.04 0.00 -1.74 0.00 0.00 68.15 69.10 4vhb h THR 27 CO 0.11 0.46 -0.24 0.15 0.37 0.00 0.00 175.52 176.37 4vhb h PHE 28 N 0.42 -0.64 -0.30 3.16 3.57 -0.54 -0.33 116.94 122.28 4vhb h PHE 28 Ca 0.04 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.42 4vhb h PHE 28 Cb 0.85 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 4vhb h PHE 28 CO 0.07 -0.33 -0.38 1.88 -2.23 0.00 0.00 178.31 177.32 4vhb h TYR 29 N -0.40 0.84 0.12 0.41 0.05 -1.40 0.83 116.97 117.42 4vhb h TYR 29 Ca 0.05 -0.24 -0.01 0.00 0.05 0.00 0.00 58.73 58.58 4vhb h TYR 29 Cb 0.46 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.02 4vhb h TYR 29 CO -0.26 0.98 -0.06 -0.22 -1.05 0.00 0.00 178.16 177.55 4vhb h LYS 30 N 0.58 -0.15 -0.60 4.88 3.64 -1.22 -1.23 116.57 122.47 4vhb h LYS 30 Ca 0.05 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 4vhb h LYS 30 Cb 0.92 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.74 4vhb h LYS 30 CO 0.08 -0.06 0.09 -0.91 -2.27 0.00 0.00 179.45 176.38 4vhb h ASN 31 N -0.20 0.93 -0.04 4.20 2.35 -0.83 -2.15 115.58 119.84 4vhb h ASN 31 Ca -0.02 -0.21 0.02 0.00 -0.55 0.00 0.00 56.30 55.55 4vhb h ASN 31 Cb 0.16 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 4vhb h ASN 31 CO 0.03 0.93 -0.10 0.25 -1.65 0.00 0.00 177.43 176.89 4vhb h LEU 32 N 0.92 -0.29 -0.73 1.61 5.85 -0.46 -0.57 115.31 121.63 4vhb h LEU 32 Ca 0.19 0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.82 4vhb h LEU 32 Cb 0.41 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 4vhb h LEU 32 CO 0.01 -0.14 -0.63 -0.26 -0.34 0.00 0.00 178.44 177.08 4vhb h PHE 33 N -0.15 0.01 -0.00 1.25 0.04 -1.16 -0.72 116.94 116.21 4vhb h PHE 33 Ca 0.05 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 4vhb h PHE 33 Cb 0.22 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.37 4vhb h PHE 33 CO -0.18 0.64 -0.17 0.00 -0.60 0.00 0.00 178.31 178.00 4vhb h ALA 34 N 1.36 0.02 0.00 2.45 0.00 -1.27 -3.23 119.26 118.59 4vhb h ALA 34 Ca -0.01 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 4vhb h ALA 34 Cb 1.12 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 4vhb h ALA 34 CO 0.08 0.02 -0.35 0.87 0.00 0.00 0.00 179.25 179.87 4vhb h LYS 35 N -0.60 0.00 -2.08 0.00 1.57 -1.15 -3.38 116.57 110.93 4vhb h LYS 35 Ca -0.02 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.22 4vhb h LYS 35 Cb 0.93 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.84 4vhb h LYS 35 CO 0.03 0.35 -0.98 0.72 -0.57 0.00 0.00 179.45 179.00 4vhb n HIS 36 N -3.43 1.17 0.21 -1.35 8.25 -0.28 -4.92 115.22 114.86 4vhb n HIS 36 Ca 0.00 -3.81 0.18 0.00 -0.26 0.00 0.00 57.72 53.83 4vhb n HIS 36 Cb 0.53 -0.43 0.82 0.00 1.12 0.00 0.00 29.99 32.03 4vhb n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 4vhb h PRO 37 N 3.53 0.00 -0.01 -0.41 0.11 -1.74 -1.49 132.00 131.99 4vhb h PRO 37 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 4vhb h PRO 37 Cb 0.81 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 4vhb h PRO 37 CO 0.59 0.00 0.05 1.05 -0.21 0.00 0.00 178.00 179.48 4vhb h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.91 -1.91 114.58 120.90 4vhb h GLU 38 Ca 0.10 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.51 4vhb h GLU 38 Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.80 4vhb h GLU 38 CO -0.00 0.00 -0.83 1.33 0.05 0.00 0.00 179.01 179.56 4vhb n VAL 39 N -3.16 0.06 -0.29 -1.06 0.24 -0.56 -4.50 118.33 109.06 4vhb n VAL 39 Ca -0.03 -0.08 0.02 0.00 -2.04 0.00 0.00 64.34 62.21 4vhb n VAL 39 Cb 0.12 0.45 0.10 0.00 -1.47 0.00 0.00 33.84 33.04 4vhb n VAL 39 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 4vhb h ARG 40 N 0.00 -0.00 -0.45 7.34 3.08 -1.49 -1.27 114.38 121.58 4vhb h ARG 40 Ca 0.00 0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.17 4vhb h ARG 40 Cb 0.58 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 4vhb h ARG 40 CO 0.00 -0.00 0.32 -1.35 -1.07 0.00 0.00 179.97 177.87 4vhb h PRO 41 N -0.00 0.04 0.00 0.04 0.11 -1.79 -1.03 132.00 129.36 4vhb h PRO 41 Ca 0.39 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.45 4vhb h PRO 41 Cb 0.59 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 4vhb h PRO 41 CO -0.84 0.02 -0.23 -0.07 -0.21 0.00 0.00 178.00 176.68 4vhb h LEU 42 N 0.04 0.00 0.00 2.35 3.38 -1.54 -3.53 115.31 116.01 4vhb h LEU 42 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 4vhb h LEU 42 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 4vhb h LEU 42 CO -0.01 0.23 0.00 0.49 0.09 0.00 0.00 178.44 179.24 4vhb n PHE 43 N -3.67 0.00 -4.00 1.13 3.01 -0.40 -4.95 117.46 108.58 4vhb n PHE 43 Ca -0.01 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.09 4vhb n PHE 43 Cb 0.35 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.83 4vhb n PHE 43 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 4vhb n GLU 52 N 0.00 -0.42 -4.41 -1.08 2.13 -1.26 -5.14 120.64 110.45 4vhb n GLU 52 Ca 0.00 -0.09 -0.26 0.00 0.66 0.00 0.00 57.16 57.46 4vhb n GLU 52 Cb 0.00 -1.59 -0.13 0.00 0.27 0.00 0.00 31.44 29.99 4vhb n GLU 52 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 4vhb s GLN 53 N -6.87 1.30 0.60 5.31 -1.52 -1.26 -5.13 119.66 112.10 4vhb s GLN 53 Ca 0.36 -1.20 -0.16 0.00 -1.95 0.00 0.00 55.36 52.41 4vhb s GLN 53 Cb -0.20 -1.63 -0.03 0.00 -0.22 0.00 0.00 33.01 30.93 4vhb s GLN 53 CO 0.73 0.39 1.09 -1.25 -0.25 0.00 0.00 175.29 176.00 4vhb s PRO 54 N -1.82 3.16 0.00 2.91 0.04 -1.26 -4.94 135.00 133.08 4vhb s PRO 54 Ca 0.10 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.49 4vhb s PRO 54 Cb -0.10 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.44 4vhb s PRO 54 CO 0.04 -0.96 0.00 1.63 0.04 0.00 0.00 177.00 177.76 4vhb n LYS 55 N -1.98 0.19 0.00 4.56 4.76 -1.26 -4.98 118.16 119.46 4vhb n LYS 55 Ca 0.10 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.66 4vhb n LYS 55 Cb 0.52 -0.02 0.32 0.00 -1.84 0.00 0.00 35.03 34.02 4vhb n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 4vhb n ALA 56 N 0.00 3.26 0.00 7.82 0.00 -1.26 -4.59 120.51 125.74 4vhb n ALA 56 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 53.44 53.13 4vhb n ALA 56 Cb 0.00 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.24 4vhb n ALA 56 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 4vhb h LEU 57 N 0.00 -0.21 -0.90 0.00 7.12 -1.98 -0.15 115.31 119.18 4vhb h LEU 57 Ca 0.00 0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.02 4vhb h LEU 57 Cb 0.51 0.08 -0.04 0.00 -0.53 0.00 0.00 40.66 40.68 4vhb h LEU 57 CO 0.00 -0.06 0.53 0.00 -0.13 0.00 0.00 178.44 178.77 4vhb h ALA 58 N -1.32 1.15 -0.11 1.25 0.00 -1.94 -1.56 119.26 116.73 4vhb h ALA 58 Ca 0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 4vhb h ALA 58 Cb 0.09 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 4vhb h ALA 58 CO -0.05 0.63 -0.45 0.52 0.00 0.00 0.00 179.25 179.89 4vhb h MET 59 N 1.25 0.27 -0.46 0.00 2.86 -1.82 -1.18 114.93 115.86 4vhb h MET 59 Ca 0.32 -0.14 -0.12 0.00 -2.06 0.00 0.00 59.70 57.70 4vhb h MET 59 Cb -0.02 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 4vhb h MET 59 CO -0.06 0.68 -0.20 1.15 1.06 0.00 0.00 176.91 179.54 4vhb h THR 60 N 0.22 1.27 -0.78 2.22 2.02 -0.53 -1.81 112.91 115.52 4vhb h THR 60 Ca 0.02 -1.35 -0.05 0.00 0.77 0.00 0.00 66.41 65.80 4vhb h THR 60 Cb 0.89 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 4vhb h THR 60 CO 0.07 0.46 0.30 0.58 0.37 0.00 0.00 175.52 177.30 4vhb h VAL 61 N 0.80 1.26 -0.52 3.16 2.07 -1.07 -1.12 116.25 120.84 4vhb h VAL 61 Ca 0.11 -0.84 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 4vhb h VAL 61 Cb 0.76 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 4vhb h VAL 61 CO 0.06 0.34 0.12 -0.07 0.02 0.00 0.00 177.57 178.04 4vhb h LEU 62 N 1.13 0.74 -0.46 2.57 3.38 -1.02 0.57 115.31 122.23 4vhb h LEU 62 Ca 0.26 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 4vhb h LEU 62 Cb 0.24 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 4vhb h LEU 62 CO -0.02 0.73 -0.16 0.00 0.09 0.00 0.00 178.44 179.09 4vhb h ALA 63 N 1.37 0.64 -0.54 1.53 0.00 -0.92 -0.49 119.26 120.84 4vhb h ALA 63 Ca 0.17 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 4vhb h ALA 63 Cb 0.29 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 4vhb h ALA 63 CO -0.00 0.57 0.05 0.00 0.00 0.00 0.00 179.25 179.87 4vhb h ALA 64 N 0.86 0.72 -0.46 0.00 0.00 -0.79 -2.59 119.26 117.00 4vhb h ALA 64 Ca 0.11 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 4vhb h ALA 64 Cb 0.72 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 4vhb h ALA 64 CO 0.05 0.50 0.14 0.00 0.00 0.00 0.00 179.25 179.95 4vhb h ALA 65 N 0.97 1.38 0.00 0.00 0.00 -0.66 0.29 119.26 121.24 4vhb h ALA 65 Ca 0.16 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 4vhb h ALA 65 Cb 0.46 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 4vhb h ALA 65 CO 0.02 0.45 -0.15 0.37 0.00 0.00 0.00 179.25 179.94 4vhb h GLN 66 N 0.67 0.00 -0.87 0.00 4.15 -0.79 -1.97 115.11 116.30 4vhb h GLN 66 Ca 0.16 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.25 4vhb h GLN 66 Cb 0.20 0.00 -0.20 0.00 0.21 0.00 0.00 27.48 27.70 4vhb h GLN 66 CO -0.01 0.15 0.42 0.09 -1.93 0.00 0.00 178.83 177.54 4vhb n ASN 67 N -4.34 4.30 0.22 -0.69 4.13 0.94 -4.71 115.26 115.11 4vhb n ASN 67 Ca -0.03 -3.31 0.14 0.00 1.68 0.00 0.00 54.58 53.06 4vhb n ASN 67 Cb 0.21 -0.77 0.76 0.00 -1.54 0.00 0.00 39.78 38.44 4vhb n ASN 67 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 4vhb h ILE 68 N 1.89 0.72 -0.01 2.41 6.09 -0.63 0.55 117.51 128.53 4vhb h ILE 68 Ca 0.40 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.89 4vhb h ILE 68 Cb 2.49 0.93 0.00 0.00 0.47 0.00 0.00 36.82 40.70 4vhb h ILE 68 CO 0.85 0.00 -0.38 -0.62 -3.07 0.00 0.00 178.15 174.94 4vhb n GLU 69 N -4.17 0.74 -3.01 2.19 1.02 -1.26 -4.36 120.64 111.79 4vhb n GLU 69 Ca -0.00 -0.49 -0.16 0.00 -0.02 0.00 0.00 57.16 56.48 4vhb n GLU 69 Cb 0.21 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 30.14 4vhb n GLU 69 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 4vhb n ASN 70 N -0.70 -0.85 0.11 1.62 4.05 0.16 -4.97 115.26 114.69 4vhb n ASN 70 Ca 0.10 -3.08 0.14 0.00 0.45 0.00 0.00 54.58 52.19 4vhb n ASN 70 Cb 0.37 0.40 0.65 0.00 1.23 0.00 0.00 39.78 42.43 4vhb n ASN 70 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 4vhb h LEU 71 N 3.60 0.03 -2.24 1.20 3.38 -1.68 -0.91 115.31 118.69 4vhb h LEU 71 Ca -0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.01 4vhb h LEU 71 Cb 0.97 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 4vhb h LEU 71 CO 0.38 0.02 0.16 -0.65 0.09 0.00 0.00 178.44 178.44 4vhb h PRO 72 N 0.03 0.00 0.00 1.13 0.11 -1.93 -0.23 132.00 131.11 4vhb h PRO 72 Ca 0.14 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 4vhb h PRO 72 Cb 0.53 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.64 4vhb h PRO 72 CO -0.01 0.00 -0.01 0.00 -0.21 0.00 0.00 178.00 177.77 4vhb h ALA 73 N 1.82 1.89 -0.65 -0.75 0.00 -1.52 -1.61 119.26 118.45 4vhb h ALA 73 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 4vhb h ALA 73 Cb 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 4vhb h ALA 73 CO -0.00 0.02 0.00 0.44 0.00 0.00 0.00 179.25 179.71 4vhb n ILE 74 N -4.40 1.03 -0.08 0.00 -5.35 -0.10 -4.54 119.36 105.92 4vhb n ILE 74 Ca -0.03 -0.91 0.13 0.00 -0.27 0.00 0.00 62.75 61.66 4vhb n ILE 74 Cb 0.10 0.37 0.52 0.00 -1.74 0.00 0.00 39.64 38.89 4vhb n ILE 74 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 4vhb h LEU 75 N 3.82 0.34 -1.32 7.28 3.38 -1.33 -1.01 115.31 126.46 4vhb h LEU 75 Ca 0.00 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 4vhb h LEU 75 Cb 0.97 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 4vhb h LEU 75 CO 0.04 0.20 0.02 -0.65 0.09 0.00 0.00 178.44 178.15 4vhb h PRO 76 N 0.37 0.48 0.01 1.13 0.11 -1.82 0.16 132.00 132.43 4vhb h PRO 76 Ca 0.28 -0.09 -0.06 0.00 0.11 0.00 0.00 66.00 66.24 4vhb h PRO 76 Cb 0.59 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.63 4vhb h PRO 76 CO -0.07 0.49 -0.23 0.00 -0.21 0.00 0.00 178.00 177.97 4vhb h ALA 77 N 1.57 0.02 -0.72 -0.75 0.00 -1.64 -3.18 119.26 114.56 4vhb h ALA 77 Ca 0.10 -0.48 0.11 0.00 0.00 0.00 0.00 54.91 54.65 4vhb h ALA 77 Cb 0.27 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 4vhb h ALA 77 CO 0.01 0.08 0.33 0.28 0.00 0.00 0.00 179.25 179.94 4vhb h VAL 78 N -0.57 0.77 -0.86 0.00 2.07 -0.85 -1.30 116.25 115.51 4vhb h VAL 78 Ca -0.03 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.37 4vhb h VAL 78 Cb 1.02 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 4vhb h VAL 78 CO 0.05 0.10 0.53 0.50 0.02 0.00 0.00 177.57 178.77 4vhb h LYS 79 N 0.53 0.94 -0.02 1.57 3.64 -0.78 0.31 116.57 122.77 4vhb h LYS 79 Ca 0.37 -0.06 -0.21 0.00 -1.27 0.00 0.00 60.65 59.49 4vhb h LYS 79 Cb 0.47 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 4vhb h LYS 79 CO -0.32 0.63 -0.86 -0.22 -2.27 0.00 0.00 179.45 176.40 4vhb h LYS 80 N 0.97 0.36 -0.48 1.90 1.63 -1.33 -2.99 116.57 116.63 4vhb h LYS 80 Ca 0.38 -0.36 -0.12 0.00 -0.85 0.00 0.00 60.65 59.69 4vhb h LYS 80 Cb 0.17 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.88 4vhb h LYS 80 CO -0.17 1.03 -0.19 0.82 -3.45 0.00 0.00 179.45 177.48 4vhb h ILE 81 N 0.21 1.27 -0.69 2.00 2.04 -0.87 -2.89 117.51 118.58 4vhb h ILE 81 Ca -0.06 -1.35 0.11 0.00 1.00 0.00 0.00 64.86 64.56 4vhb h ILE 81 Cb 1.48 1.11 -0.08 0.00 -0.74 0.00 0.00 36.82 38.59 4vhb h ILE 81 CO 0.14 0.46 0.29 0.00 0.00 0.00 0.00 178.15 179.05 4vhb h ALA 82 N 0.94 0.94 -0.39 1.87 0.00 -0.95 0.14 119.26 121.80 4vhb h ALA 82 Ca 0.11 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.12 4vhb h ALA 82 Cb 0.76 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 4vhb h ALA 82 CO 0.06 -0.15 0.24 0.28 0.00 0.00 0.00 179.25 179.68 4vhb h VAL 83 N 0.48 1.06 -0.12 0.00 2.07 -1.40 0.27 116.25 118.61 4vhb h VAL 83 Ca 0.36 -0.17 -0.11 0.00 0.82 0.00 0.00 66.70 67.60 4vhb h VAL 83 Cb 0.46 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 4vhb h VAL 83 CO -0.33 0.09 -0.43 0.11 0.02 0.00 0.00 177.57 177.03 4vhb h LYS 84 N 0.48 0.27 -0.20 1.57 1.79 -0.82 -1.32 116.57 118.34 4vhb h LYS 84 Ca 0.15 -0.14 -0.08 0.00 -2.18 0.00 0.00 60.65 58.40 4vhb h LYS 84 Cb -0.01 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.63 4vhb h LYS 84 CO -0.06 0.66 -0.20 0.45 -1.08 0.00 0.00 179.45 179.22 4vhb h HIS 85 N 0.23 0.59 -0.25 -1.35 3.86 0.17 -1.26 115.15 117.14 4vhb h HIS 85 Ca 0.02 -0.18 -0.09 0.00 -1.16 0.00 0.00 60.37 58.96 4vhb h HIS 85 Cb 0.86 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.19 4vhb h HIS 85 CO 0.02 0.84 -0.24 0.00 0.86 0.00 0.00 177.93 179.41 4vhb h GLN 87 N 0.42 0.88 0.00 0.00 4.15 -1.06 -3.08 115.11 116.43 4vhb h GLN 87 Ca 0.06 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.36 4vhb h GLN 87 Cb 0.65 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.18 4vhb h GLN 87 CO 0.05 0.70 -0.00 0.00 -1.93 0.00 0.00 178.83 177.65 4vhb h ALA 88 N 1.42 1.00 0.00 3.38 0.00 -0.58 -3.48 119.26 121.00 4vhb h ALA 88 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 4vhb h ALA 88 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 4vhb h ALA 88 CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 4vhb n GLY 89 N 1.10 1.36 3.73 0.00 0.00 -0.58 -4.86 105.19 105.93 4vhb n GLY 89 Ca 0.04 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 4vhb n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4vhb s VAL 90 N -2.00 3.26 0.19 1.61 1.01 -0.72 -5.03 120.40 118.72 4vhb s VAL 90 Ca 0.00 0.97 0.10 0.00 0.00 0.00 0.00 61.98 63.04 4vhb s VAL 90 Cb 0.00 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 4vhb s VAL 90 CO 0.00 0.11 -0.15 0.00 0.00 0.00 0.00 175.10 175.06 4vhb s ALA 91 N 0.61 2.80 0.32 5.51 0.00 -1.26 -4.80 121.76 124.94 4vhb s ALA 91 Ca 0.61 -1.56 0.07 0.00 0.00 0.00 0.00 51.96 51.08 4vhb s ALA 91 Cb -0.37 -0.57 0.78 0.00 0.00 0.00 0.00 23.12 22.96 4vhb s ALA 91 CO 0.34 0.44 1.79 0.00 0.00 0.00 0.00 175.76 178.32 4vhb h ALA 92 N 2.93 1.74 0.00 0.00 0.00 -1.96 0.39 119.26 122.36 4vhb h ALA 92 Ca -0.46 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.52 4vhb h ALA 92 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 4vhb h ALA 92 CO 0.53 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.67 4vhb h ALA 93 N 1.64 1.00 0.00 0.00 0.00 -2.02 -1.85 119.26 118.03 4vhb h ALA 93 Ca 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.38 4vhb h ALA 93 Cb 0.93 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 4vhb h ALA 93 CO -0.36 0.00 -0.46 0.45 0.00 0.00 0.00 179.25 178.89 4vhb h HIS 94 N 0.00 0.00 -0.78 0.00 -0.00 -0.62 -3.35 115.15 110.40 4vhb h HIS 94 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 60.37 60.48 4vhb h HIS 94 Cb 0.46 0.00 -0.08 0.00 -0.00 0.00 0.00 27.41 27.79 4vhb h HIS 94 CO 0.00 0.46 0.40 1.88 -0.00 0.00 0.00 177.93 180.67 4vhb h TYR 95 N 0.00 0.71 -0.13 2.45 -1.99 -1.40 -1.01 116.97 115.59 4vhb h TYR 95 Ca -0.00 0.03 -0.08 0.00 2.00 0.00 0.00 58.73 60.68 4vhb h TYR 95 Cb 0.82 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 39.34 4vhb h TYR 95 CO 0.00 0.23 -0.28 -1.35 -0.00 0.00 0.00 178.16 176.76 4vhb h PRO 96 N 0.64 0.25 -0.26 4.88 0.11 -1.75 0.23 132.00 136.10 4vhb h PRO 96 Ca 0.39 -0.09 -0.18 0.00 0.11 0.00 0.00 66.00 66.24 4vhb h PRO 96 Cb 0.46 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.55 4vhb h PRO 96 CO -0.30 0.52 -0.53 -0.84 -0.21 0.00 0.00 178.00 176.64 4vhb h ILE 97 N 0.22 1.29 -0.89 4.15 3.07 -1.38 -1.07 117.51 122.89 4vhb h ILE 97 Ca 0.03 -1.72 -0.01 0.00 1.55 0.00 0.00 64.86 64.71 4vhb h ILE 97 Cb 0.62 1.72 -0.04 0.00 -0.27 0.00 0.00 36.82 38.85 4vhb h ILE 97 CO 0.04 0.55 0.52 0.58 -1.05 0.00 0.00 178.15 178.80 4vhb h VAL 98 N 0.56 1.25 -0.94 0.16 2.07 -1.06 -2.19 116.25 116.11 4vhb h VAL 98 Ca 0.01 -0.57 0.04 0.00 0.82 0.00 0.00 66.70 66.99 4vhb h VAL 98 Cb 1.14 0.01 -0.06 0.00 -1.52 0.00 0.00 31.29 30.86 4vhb h VAL 98 CO 0.12 0.27 0.61 1.23 0.02 0.00 0.00 177.57 179.81 4vhb h GLY 99 N 1.23 1.38 0.91 2.17 0.00 -0.80 -0.21 103.07 107.75 4vhb h GLY 99 Ca 0.32 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 4vhb h GLY 99 CO -0.06 0.38 0.06 -1.61 0.00 0.00 0.00 176.54 175.32 4vhb h GLN 100 N 1.17 0.57 -0.09 4.80 4.15 -0.59 -1.51 115.11 123.60 4vhb h GLN 100 Ca 0.38 -0.15 -0.17 0.00 0.77 0.00 0.00 58.65 59.48 4vhb h GLN 100 Cb 0.03 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 4vhb h GLN 100 CO -0.13 0.64 -0.67 0.93 -1.93 0.00 0.00 178.83 177.67 4vhb h GLU 101 N 0.41 0.37 -0.02 1.69 4.39 -1.10 -1.49 114.58 118.82 4vhb h GLU 101 Ca 0.11 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.53 4vhb h GLU 101 Cb 0.34 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 4vhb h GLU 101 CO 0.01 0.91 0.01 1.25 -1.16 0.00 0.00 179.01 180.03 4vhb h LEU 102 N 0.26 0.03 -0.64 1.33 5.85 -0.95 -2.48 115.31 118.71 4vhb h LEU 102 Ca -0.02 -0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.75 4vhb h LEU 102 Cb 1.22 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.17 4vhb h LEU 102 CO 0.11 0.06 0.29 -0.07 -0.34 0.00 0.00 178.44 178.49 4vhb h LEU 103 N -0.01 0.35 -1.16 2.25 -0.00 -1.24 -0.74 115.31 114.76 4vhb h LEU 103 Ca 0.01 0.06 -0.04 0.00 -0.00 0.00 0.00 57.88 57.92 4vhb h LEU 103 Cb 0.04 0.01 -0.03 0.00 -0.00 0.00 0.00 40.66 40.69 4vhb h LEU 103 CO -0.00 0.20 0.18 1.23 -0.00 0.00 0.00 178.44 180.05 4vhb h GLY 104 N 0.50 0.83 0.84 0.83 0.00 -1.10 -0.75 103.07 104.22 4vhb h GLY 104 Ca 0.32 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 4vhb h GLY 104 CO -0.27 0.41 0.01 0.00 0.00 0.00 0.00 176.54 176.69 4vhb h ALA 105 N 1.44 0.03 -0.76 3.60 0.00 -0.94 -1.03 119.26 121.60 4vhb h ALA 105 Ca 0.18 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.12 4vhb h ALA 105 Cb 0.20 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 4vhb h ALA 105 CO -0.01 -0.39 0.37 0.82 0.00 0.00 0.00 179.25 180.05 4vhb h ILE 106 N -0.12 0.78 -0.21 0.00 2.04 -0.79 -1.25 117.51 117.96 4vhb h ILE 106 Ca 0.01 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 4vhb h ILE 106 Cb 0.17 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 4vhb h ILE 106 CO -0.00 0.11 0.13 0.50 0.00 0.00 0.00 178.15 178.88 4vhb h LYS 107 N 0.59 0.28 0.09 2.37 3.64 -0.97 0.21 116.57 122.78 4vhb h LYS 107 Ca 0.40 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.76 4vhb h LYS 107 Cb 0.49 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 4vhb h LYS 107 CO -0.32 0.23 -0.17 0.93 -2.27 0.00 0.00 179.45 177.85 4vhb h GLU 108 N 0.26 -0.32 -0.38 1.90 5.08 -0.08 -2.24 114.58 118.81 4vhb h GLU 108 Ca 0.08 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 4vhb h GLU 108 Cb 0.02 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 4vhb h GLU 108 CO -0.01 -0.21 -0.05 -0.39 -1.00 0.00 0.00 179.01 177.34 4vhb h VAL 109 N -0.33 1.23 0.00 3.13 -1.51 -1.13 -1.52 116.25 116.12 4vhb h VAL 109 Ca 0.03 -0.97 0.00 0.00 -1.23 0.00 0.00 66.70 64.53 4vhb h VAL 109 Cb 0.35 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 4vhb h VAL 109 CO -0.10 0.33 0.00 -0.07 -1.23 0.00 0.00 177.57 176.50 4vhb h LEU 110 N 0.59 0.00 0.00 4.19 3.38 -0.22 -3.47 115.31 119.78 4vhb h LEU 110 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 4vhb h LEU 110 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 4vhb h LEU 110 CO 0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.16 4vhb n GLY 111 N 0.00 3.22 0.08 0.83 0.00 -0.57 -0.86 105.19 107.88 4vhb n GLY 111 Ca 0.01 0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.11 4vhb n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 4vhb n ASP 112 N 3.90 0.29 0.00 1.61 8.00 -1.26 -0.96 116.55 128.13 4vhb n ASP 112 Ca 0.00 0.62 0.12 0.00 0.71 0.00 0.00 54.79 56.24 4vhb n ASP 112 Cb 0.00 -0.66 0.16 0.00 -0.02 0.00 0.00 41.12 40.59 4vhb n ASP 112 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 4vhb n ALA 113 N -1.64 3.76 -0.68 2.24 0.00 -0.04 -4.68 120.51 119.48 4vhb n ALA 113 Ca 0.00 -0.40 -0.31 0.00 0.00 0.00 0.00 53.44 52.73 4vhb n ALA 113 Cb 0.06 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.41 4vhb n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 4vhb n ALA 114 N -1.53 2.56 -1.32 0.00 0.00 -0.13 -4.91 120.51 115.16 4vhb n ALA 114 Ca 0.05 -2.25 -0.30 0.00 0.00 0.00 0.00 53.44 50.94 4vhb n ALA 114 Cb 0.34 -3.31 0.11 0.00 0.00 0.00 0.00 19.45 16.59 4vhb n ALA 114 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 4vhb s THR 115 N 5.16 2.97 0.22 0.00 -4.23 -1.26 -4.82 115.64 113.67 4vhb s THR 115 Ca 0.46 0.31 -0.05 0.00 -1.18 0.00 0.00 61.69 61.23 4vhb s THR 115 Cb 0.11 -2.88 0.07 0.00 1.34 0.00 0.00 72.50 71.14 4vhb s THR 115 CO 0.12 -0.41 1.67 0.44 -0.54 0.00 0.00 174.62 175.91 4vhb h ASP 116 N -1.31 0.89 0.24 3.99 5.19 -1.99 -0.06 116.42 123.37 4vhb h ASP 116 Ca -0.47 -0.26 -0.09 0.00 -0.62 0.00 0.00 57.03 55.58 4vhb h ASP 116 Cb 1.27 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.52 4vhb h ASP 116 CO 0.55 0.99 -0.37 0.44 -3.12 0.00 0.00 179.24 177.73 4vhb h ASP 117 N 0.82 0.19 -0.11 6.45 3.32 -1.98 -0.49 116.42 124.62 4vhb h ASP 117 Ca 0.14 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 4vhb h ASP 117 Cb 0.58 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 4vhb h ASP 117 CO 0.04 0.55 -0.15 0.40 -1.72 0.00 0.00 179.24 178.35 4vhb h ILE 118 N 0.16 1.37 -0.67 0.35 2.04 -1.80 -0.95 117.51 118.02 4vhb h ILE 118 Ca 0.02 -1.38 -0.02 0.00 1.00 0.00 0.00 64.86 64.48 4vhb h ILE 118 Cb 0.73 2.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.80 4vhb h ILE 118 CO 0.06 0.40 0.35 -0.07 0.00 0.00 0.00 178.15 178.88 4vhb h LEU 119 N -0.12 0.84 -0.63 1.44 3.38 -0.90 -1.36 115.31 117.96 4vhb h LEU 119 Ca 0.01 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 4vhb h LEU 119 Cb 0.71 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 4vhb h LEU 119 CO 0.04 0.69 -0.16 0.44 0.09 0.00 0.00 178.44 179.53 4vhb h ASP 120 N 0.94 0.92 -0.37 -0.43 5.19 -1.00 0.27 116.42 121.94 4vhb h ASP 120 Ca 0.24 -0.32 -0.12 0.00 -0.62 0.00 0.00 57.03 56.20 4vhb h ASP 120 Cb 0.05 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.30 4vhb h ASP 120 CO -0.04 1.07 -0.23 0.00 -3.12 0.00 0.00 179.24 176.92 4vhb h ALA 121 N 1.00 0.79 -0.43 3.45 0.00 -0.63 -1.26 119.26 122.18 4vhb h ALA 121 Ca 0.12 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 4vhb h ALA 121 Cb 0.70 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 4vhb h ALA 121 CO 0.05 0.65 -0.09 -1.49 0.00 0.00 0.00 179.25 178.38 4vhb h TRP 122 N 0.75 0.83 -0.36 0.00 4.06 -0.88 0.94 115.95 121.29 4vhb h TRP 122 Ca 0.10 -0.14 0.02 0.00 2.06 0.00 0.00 58.89 60.92 4vhb h TRP 122 Cb 0.77 -0.22 -0.03 0.00 -1.00 0.00 0.00 29.16 28.69 4vhb h TRP 122 CO 0.04 0.82 0.20 0.78 -3.56 0.00 0.00 178.44 176.72 4vhb h GLY 123 N 0.97 0.49 1.22 1.49 0.00 -0.66 0.42 103.07 107.01 4vhb h GLY 123 Ca 0.12 -0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 4vhb h GLY 123 CO 0.03 0.13 0.06 0.50 0.00 0.00 0.00 176.54 177.26 4vhb h LYS 124 N 0.41 0.95 -0.42 4.80 1.57 -0.54 -1.51 116.57 121.83 4vhb h LYS 124 Ca 0.14 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 4vhb h LYS 124 Cb 0.02 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 4vhb h LYS 124 CO -0.08 0.90 0.00 0.00 -0.57 0.00 0.00 179.45 179.71 4vhb h ALA 125 N 1.17 0.57 -0.60 3.86 0.00 -0.40 -1.95 119.26 121.89 4vhb h ALA 125 Ca 0.18 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.86 4vhb h ALA 125 Cb 0.44 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 4vhb h ALA 125 CO 0.02 0.35 0.36 -0.92 0.00 0.00 0.00 179.25 179.05 4vhb h TYR 126 N 0.58 0.67 -0.28 0.00 3.20 -0.51 -0.39 116.97 120.24 4vhb h TYR 126 Ca 0.12 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.08 4vhb h TYR 126 Cb 0.48 -0.22 -0.08 0.00 1.54 0.00 0.00 36.73 38.46 4vhb h TYR 126 CO 0.04 0.37 -0.25 0.78 -1.64 0.00 0.00 178.16 177.46 4vhb h GLY 127 N 0.70 -0.15 1.00 1.82 0.00 -0.97 0.67 103.07 106.15 4vhb h GLY 127 Ca 0.25 0.32 0.01 0.00 0.00 0.00 0.00 47.33 47.90 4vhb h GLY 127 CO -0.12 -0.20 0.55 -2.08 0.00 0.00 0.00 176.54 174.69 4vhb h VAL 128 N -0.24 1.21 0.01 4.60 2.07 -0.91 0.67 116.25 123.66 4vhb h VAL 128 Ca 0.15 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 4vhb h VAL 128 Cb 0.47 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 4vhb h VAL 128 CO -0.42 0.20 -0.01 0.40 0.02 0.00 0.00 177.57 177.77 4vhb h ILE 129 N 1.12 1.19 -0.84 4.57 2.04 0.16 -3.03 117.51 122.71 4vhb h ILE 129 Ca 0.30 -0.60 0.04 0.00 1.00 0.00 0.00 64.86 65.60 4vhb h ILE 129 Cb -0.13 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 4vhb h ILE 129 CO -0.07 0.16 0.55 0.00 0.00 0.00 0.00 178.15 178.79 4vhb h ALA 130 N 0.71 1.49 -0.33 1.87 0.00 0.67 -1.47 119.26 122.20 4vhb h ALA 130 Ca -0.00 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.92 4vhb h ALA 130 Cb 0.27 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 4vhb h ALA 130 CO 0.00 0.42 0.22 -0.44 0.00 0.00 0.00 179.25 179.46 4vhb h ASP 131 N 1.03 0.22 0.01 0.00 3.32 -0.76 0.16 116.42 120.39 4vhb h ASP 131 Ca 0.34 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.38 4vhb h ASP 131 Cb 0.05 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.55 4vhb h ASP 131 CO -0.10 0.15 -0.00 0.58 -1.72 0.00 0.00 179.24 178.14 4vhb h VAL 132 N 0.25 1.22 -0.43 -1.35 2.07 -1.18 -1.61 116.25 115.22 4vhb h VAL 132 Ca 0.14 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 4vhb h VAL 132 Cb 0.25 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 4vhb h VAL 132 CO -0.03 0.18 0.18 -0.26 0.02 0.00 0.00 177.57 177.66 4vhb h PHE 133 N -0.31 0.65 -0.46 1.57 0.04 -1.12 -1.41 116.94 115.91 4vhb h PHE 133 Ca -0.00 -0.04 0.08 0.00 2.80 0.00 0.00 57.97 60.80 4vhb h PHE 133 Cb 0.30 -0.20 -0.07 0.00 2.20 0.00 0.00 35.95 38.19 4vhb h PHE 133 CO 0.03 0.55 0.06 0.82 -0.60 0.00 0.00 178.31 179.17 4vhb h ILE 134 N 0.55 0.71 -0.28 -0.55 2.04 -0.74 0.73 117.51 119.98 4vhb h ILE 134 Ca 0.15 -0.06 -0.06 0.00 1.00 0.00 0.00 64.86 65.88 4vhb h ILE 134 Cb 0.17 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 4vhb h ILE 134 CO -0.01 0.03 -0.07 -0.61 0.00 0.00 0.00 178.15 177.49 4vhb h GLN 135 N 0.18 0.54 -0.49 2.37 5.75 -1.07 -0.11 115.11 122.28 4vhb h GLN 135 Ca 0.23 -0.21 -0.03 0.00 -0.15 0.00 0.00 58.65 58.49 4vhb h GLN 135 Cb 0.31 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.81 4vhb h GLN 135 CO -0.33 0.75 0.19 0.28 -2.65 0.00 0.00 178.83 177.07 4vhb h VAL 136 N 0.30 1.21 -0.51 2.39 2.07 -0.91 -1.76 116.25 119.03 4vhb h VAL 136 Ca 0.07 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 4vhb h VAL 136 Cb 0.55 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 4vhb h VAL 136 CO 0.03 0.25 0.13 -0.33 0.02 0.00 0.00 177.57 177.67 4vhb h GLU 137 N 0.65 0.78 -0.69 1.57 5.08 -0.76 -0.08 114.58 121.13 4vhb h GLU 137 Ca 0.16 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 4vhb h GLU 137 Cb 0.21 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 4vhb h GLU 137 CO -0.01 0.70 0.32 0.00 -1.00 0.00 0.00 179.01 179.02 4vhb h ALA 138 N 1.39 0.89 -0.39 3.43 0.00 -0.69 0.26 119.26 124.15 4vhb h ALA 138 Ca 0.17 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 4vhb h ALA 138 Cb 0.27 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 4vhb h ALA 138 CO -0.00 0.47 -0.09 -0.44 0.00 0.00 0.00 179.25 179.18 4vhb h ASP 139 N 0.97 0.66 0.05 0.00 3.32 -1.06 -1.76 116.42 118.58 4vhb h ASP 139 Ca 0.24 -0.18 -0.18 0.00 0.02 0.00 0.00 57.03 56.93 4vhb h ASP 139 Cb 0.13 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 4vhb h ASP 139 CO -0.03 0.79 -0.63 -0.07 -1.72 0.00 0.00 179.24 177.58 4vhb h LEU 140 N 0.62 0.65 -0.82 1.55 3.38 -0.16 -0.87 115.31 119.66 4vhb h LEU 140 Ca 0.11 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.73 4vhb h LEU 140 Cb 0.53 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 4vhb h LEU 140 CO 0.03 1.11 0.53 1.88 0.09 0.00 0.00 178.44 182.08 4vhb h TYR 141 N 0.42 1.00 -0.50 1.13 0.05 -0.21 -2.14 116.97 116.72 4vhb h TYR 141 Ca -0.01 0.03 -0.10 0.00 0.05 0.00 0.00 58.73 58.69 4vhb h TYR 141 Cb 1.19 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 38.58 4vhb h TYR 141 CO 0.05 0.59 -0.09 0.00 -1.05 0.00 0.00 178.16 177.66 4vhb h ALA 142 N 1.33 0.90 0.00 3.88 0.00 -1.12 -2.03 119.26 122.23 4vhb h ALA 142 Ca 0.32 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 4vhb h ALA 142 Cb -0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 4vhb h ALA 142 CO -0.10 0.64 -0.10 0.37 0.00 0.00 0.00 179.25 180.06 4vhb h GLN 143 N 0.81 0.00 0.00 0.00 4.15 -0.77 -0.90 115.11 118.40 4vhb h GLN 143 Ca 0.13 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.48 4vhb h GLN 143 Cb 0.61 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 4vhb h GLN 143 CO 0.04 0.10 -0.35 0.00 -1.93 0.00 0.00 178.83 176.69 4vhb h ALA 144 N 1.90 1.03 -0.43 3.38 0.00 -0.71 -3.04 119.26 121.39 4vhb h ALA 144 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 4vhb h ALA 144 Cb 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.96 4vhb h ALA 144 CO 0.01 0.44 0.00 1.33 0.00 0.00 0.00 179.25 181.03 4vhb n VAL 145 N -3.56 0.56 0.00 0.00 0.24 -0.38 -5.13 118.33 110.06 4vhb n VAL 145 Ca -0.00 -0.76 0.00 0.00 -2.04 0.00 0.00 64.34 61.53 4vhb n VAL 145 Cb 0.48 0.87 0.00 0.00 -1.47 0.00 0.00 33.84 33.72 4vhb n VAL 145 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90