#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vhb s ASP 3 N 0.00 7.53 0.25 -1.43 2.15 -1.26 -4.95 116.67 118.95 1vhb s ASP 3 Ca 0.00 1.81 -0.04 0.00 0.43 0.00 0.00 52.55 54.75 1vhb s ASP 3 Cb 0.00 -2.57 0.38 0.00 -0.30 0.00 0.00 42.92 40.43 1vhb s ASP 3 CO 0.00 0.09 1.85 -0.61 -0.17 0.00 0.00 175.17 176.33 1vhb h GLN 4 N 4.71 0.96 -0.87 4.34 5.75 -2.05 0.28 115.11 128.23 1vhb h GLN 4 Ca -0.45 -0.06 0.05 0.00 -0.15 0.00 0.00 58.65 58.04 1vhb h GLN 4 Cb 1.20 -0.22 -0.06 0.00 1.07 0.00 0.00 27.48 29.48 1vhb h GLN 4 CO 0.69 0.64 0.55 0.37 -2.65 0.00 0.00 178.83 178.42 1vhb h GLN 5 N 0.99 1.00 0.04 1.69 5.75 -1.99 0.56 115.11 123.16 1vhb h GLN 5 Ca 0.40 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.84 1vhb h GLN 5 Cb 0.23 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1vhb h GLN 5 CO -0.19 0.66 -0.02 1.15 -2.65 0.00 0.00 178.83 177.78 1vhb h THR 6 N 1.04 0.97 -0.72 2.39 2.02 -1.62 0.31 112.91 117.30 1vhb h THR 6 Ca 0.36 -0.06 0.10 0.00 0.77 0.00 0.00 66.41 67.58 1vhb h THR 6 Cb 0.09 1.01 -0.07 0.00 -1.74 0.00 0.00 68.15 67.44 1vhb h THR 6 CO -0.14 0.01 0.35 0.40 0.37 0.00 0.00 175.52 176.52 1vhb h ILE 7 N -0.09 0.84 -0.73 3.11 2.04 0.37 -0.41 117.51 122.65 1vhb h ILE 7 Ca -0.01 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1vhb h ILE 7 Cb 0.07 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.30 1vhb h ILE 7 CO 0.01 0.11 0.36 0.78 0.00 0.00 0.00 178.15 179.41 1vhb h ASN 8 N 0.60 0.93 0.16 1.72 -0.26 0.10 -1.66 115.58 117.17 1vhb h ASN 8 Ca 0.35 -0.10 -0.11 0.00 -0.56 0.00 0.00 56.30 55.89 1vhb h ASN 8 Cb 0.38 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.39 1vhb h ASN 8 CO -0.28 0.78 -0.40 0.40 -1.06 0.00 0.00 177.43 176.87 1vhb h ILE 9 N 1.02 1.30 -0.15 2.81 2.04 0.52 -1.30 117.51 123.77 1vhb h ILE 9 Ca 0.25 -1.50 -0.03 0.00 1.00 0.00 0.00 64.86 64.58 1vhb h ILE 9 Cb 0.09 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 1vhb h ILE 9 CO -0.03 0.46 -0.02 0.40 0.00 0.00 0.00 178.15 178.95 1vhb h ILE 10 N 0.27 1.27 -1.00 -0.67 1.08 -0.44 -1.40 117.51 116.62 1vhb h ILE 10 Ca 0.03 -0.92 0.09 0.00 -0.39 0.00 0.00 64.86 63.66 1vhb h ILE 10 Cb 0.82 1.58 -0.07 0.00 -3.07 0.00 0.00 36.82 36.07 1vhb h ILE 10 CO 0.06 0.27 0.64 0.11 -0.69 0.00 0.00 178.15 178.55 1vhb h LYS 11 N -0.00 1.05 -0.14 2.37 1.57 -1.19 0.20 116.57 120.44 1vhb h LYS 11 Ca 0.04 -0.06 -0.20 0.00 -1.87 0.00 0.00 60.65 58.56 1vhb h LYS 11 Cb 0.43 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1vhb h LYS 11 CO 0.01 0.70 -0.71 0.00 -0.57 0.00 0.00 179.45 178.88 1vhb h ALA 12 N 1.50 0.49 0.00 3.86 0.00 -1.23 -3.38 119.26 120.51 1vhb h ALA 12 Ca 0.46 -0.58 -0.22 0.00 0.00 0.00 0.00 54.91 54.57 1vhb h ALA 12 Cb 0.31 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1vhb h ALA 12 CO -0.21 0.72 -1.81 0.25 0.00 0.00 0.00 179.25 178.20 1vhb n THR 13 N -3.90 1.14 -0.26 0.00 -2.24 -0.53 -4.49 114.28 103.99 1vhb n THR 13 Ca -0.05 -0.73 0.06 0.00 -2.27 0.00 0.00 64.05 61.06 1vhb n THR 13 Cb 0.70 -0.60 0.18 0.00 -2.10 0.00 0.00 70.33 68.52 1vhb n THR 13 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1vhb h VAL 14 N 0.00 0.36 -0.64 2.28 2.07 -0.81 -0.55 116.25 118.97 1vhb h VAL 14 Ca -0.27 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.27 1vhb h VAL 14 Cb 1.75 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 1vhb h VAL 14 CO 0.04 0.03 0.42 -0.65 0.02 0.00 0.00 177.57 177.43 1vhb h PRO 15 N 0.15 0.61 -0.29 1.57 0.11 -1.81 0.36 132.00 132.70 1vhb h PRO 15 Ca 0.44 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.39 1vhb h PRO 15 Cb 0.79 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.75 1vhb h PRO 15 CO -0.64 0.41 -0.26 0.28 -0.21 0.00 0.00 178.00 177.57 1vhb h VAL 16 N 0.63 1.30 -0.54 3.15 2.07 -1.37 -2.58 116.25 118.91 1vhb h VAL 16 Ca 0.27 -1.42 -0.12 0.00 0.82 0.00 0.00 66.70 66.25 1vhb h VAL 16 Cb 0.27 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1vhb h VAL 16 CO -0.08 0.46 -0.13 -0.07 0.02 0.00 0.00 177.57 177.76 1vhb h LEU 17 N 0.44 1.05 -1.42 2.57 4.07 -0.66 -2.89 115.31 118.47 1vhb h LEU 17 Ca 0.05 -0.36 -0.02 0.00 0.08 0.00 0.00 57.88 57.63 1vhb h LEU 17 Cb 0.83 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 42.26 1vhb h LEU 17 CO 0.07 1.16 0.12 0.11 -1.08 0.00 0.00 178.44 178.82 1vhb h LYS 18 N 0.92 0.50 0.00 1.13 1.57 -0.25 -0.18 116.57 120.26 1vhb h LYS 18 Ca 0.14 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1vhb h LYS 18 Cb 0.70 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 1vhb h LYS 18 CO 0.05 0.44 -0.02 1.49 -0.57 0.00 0.00 179.45 180.84 1vhb h GLU 19 N 0.50 0.00 -0.23 3.15 4.81 -1.24 -1.94 114.58 119.63 1vhb h GLU 19 Ca 0.12 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 1vhb h GLU 19 Cb 0.14 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 1vhb h GLU 19 CO -0.01 0.02 -0.11 0.72 -0.73 0.00 0.00 179.01 178.90 1vhb n HIS 20 N -3.45 0.75 -0.28 0.92 8.25 -0.12 -4.82 115.22 116.48 1vhb n HIS 20 Ca -0.03 -1.35 0.02 0.00 -0.26 0.00 0.00 57.72 56.10 1vhb n HIS 20 Cb 0.11 -0.37 0.09 0.00 1.12 0.00 0.00 29.99 30.94 1vhb n HIS 20 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1vhb h GLY 21 N 1.04 0.55 0.58 -1.41 0.00 -0.93 -1.71 103.07 101.19 1vhb h GLY 21 Ca 0.11 0.27 0.08 0.00 0.00 0.00 0.00 47.33 47.79 1vhb h GLY 21 CO 0.25 -0.30 0.45 -2.08 0.00 0.00 0.00 176.54 174.86 1vhb h VAL 22 N -0.00 0.94 -0.39 4.60 2.07 -1.87 -1.25 116.25 120.34 1vhb h VAL 22 Ca 0.38 -0.27 -0.14 0.00 0.82 0.00 0.00 66.70 67.49 1vhb h VAL 22 Cb 0.58 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1vhb h VAL 22 CO -0.81 0.14 -0.32 0.74 0.02 0.00 0.00 177.57 177.34 1vhb h THR 23 N 0.78 1.28 -0.37 2.57 2.02 -1.72 -1.39 112.91 116.09 1vhb h THR 23 Ca 0.37 -1.48 -0.04 0.00 0.77 0.00 0.00 66.41 66.03 1vhb h THR 23 Cb 0.30 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1vhb h THR 23 CO -0.22 0.49 0.07 0.40 0.37 0.00 0.00 175.52 176.63 1vhb h ILE 24 N 0.72 1.24 0.20 3.11 2.04 -1.08 -0.54 117.51 123.20 1vhb h ILE 24 Ca 0.08 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 1vhb h ILE 24 Cb 0.88 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1vhb h ILE 24 CO 0.08 0.28 -0.10 0.74 0.00 0.00 0.00 178.15 179.15 1vhb h THR 25 N 0.45 0.86 -0.50 -0.27 2.02 -1.18 -0.26 112.91 114.04 1vhb h THR 25 Ca 0.11 -0.30 -0.12 0.00 0.77 0.00 0.00 66.41 66.88 1vhb h THR 25 Cb 0.35 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1vhb h THR 25 CO 0.01 0.07 -0.15 0.71 0.37 0.00 0.00 175.52 176.52 1vhb h THR 26 N -0.41 1.27 -0.63 3.16 1.35 -1.23 -2.28 112.91 114.14 1vhb h THR 26 Ca -0.03 -1.30 -0.09 0.00 -0.55 0.00 0.00 66.41 64.44 1vhb h THR 26 Cb 0.32 1.04 -0.02 0.00 -1.73 0.00 0.00 68.15 67.76 1vhb h THR 26 CO 0.04 0.45 0.05 0.74 -0.25 0.00 0.00 175.52 176.55 1vhb h THR 27 N 0.85 1.26 -0.11 6.82 2.02 -1.03 -1.81 112.91 120.91 1vhb h THR 27 Ca 0.13 -1.10 -0.00 0.00 0.77 0.00 0.00 66.41 66.20 1vhb h THR 27 Cb 0.71 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1vhb h THR 27 CO 0.05 0.41 0.07 0.15 0.37 0.00 0.00 175.52 176.57 1vhb h PHE 28 N 0.99 0.15 -0.73 3.16 3.57 -0.92 -2.12 116.94 121.04 1vhb h PHE 28 Ca 0.18 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.62 1vhb h PHE 28 Cb 0.51 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 1vhb h PHE 28 CO 0.04 0.15 0.20 1.88 -2.23 0.00 0.00 178.31 178.34 1vhb h TYR 29 N 0.11 1.20 -0.04 0.41 0.05 -1.31 0.10 116.97 117.49 1vhb h TYR 29 Ca 0.04 -0.13 0.01 0.00 0.05 0.00 0.00 58.73 58.70 1vhb h TYR 29 Cb 0.04 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 37.43 1vhb h TYR 29 CO -0.05 0.96 -0.01 -0.22 -1.05 0.00 0.00 178.16 177.78 1vhb h LYS 30 N 1.09 -0.00 -0.44 4.88 1.63 -1.27 -1.59 116.57 120.88 1vhb h LYS 30 Ca 0.23 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.92 1vhb h LYS 30 Cb 0.35 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 1vhb h LYS 30 CO -0.00 -0.00 -0.15 -0.91 -3.45 0.00 0.00 179.45 174.94 1vhb h ASN 31 N -0.00 0.88 0.17 4.20 2.35 -1.28 -1.84 115.58 120.06 1vhb h ASN 31 Ca 0.02 -0.38 -0.00 0.00 -0.55 0.00 0.00 56.30 55.39 1vhb h ASN 31 Cb 0.03 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 1vhb h ASN 31 CO -0.04 1.06 -0.14 0.25 -1.65 0.00 0.00 177.43 176.91 1vhb h LEU 32 N 0.70 -0.36 -0.84 1.61 5.85 -0.83 -1.11 115.31 120.32 1vhb h LEU 32 Ca 0.10 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.74 1vhb h LEU 32 Cb 0.70 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 1vhb h LEU 32 CO 0.05 -0.22 -0.45 -0.26 -0.34 0.00 0.00 178.44 177.23 1vhb h PHE 33 N -0.32 0.35 -0.09 1.25 0.04 -1.27 -1.32 116.94 115.57 1vhb h PHE 33 Ca -0.01 -0.10 -0.05 0.00 2.80 0.00 0.00 57.97 60.61 1vhb h PHE 33 Cb 0.29 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.37 1vhb h PHE 33 CO -0.11 0.69 -0.13 0.00 -0.60 0.00 0.00 178.31 178.16 1vhb h ALA 34 N 1.29 0.14 0.00 2.45 0.00 -1.17 -3.27 119.26 118.70 1vhb h ALA 34 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1vhb h ALA 34 Cb 0.89 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1vhb h ALA 34 CO 0.07 0.02 -0.22 1.63 0.00 0.00 0.00 179.25 180.75 1vhb n LYS 35 N -4.61 0.10 -3.11 0.00 5.02 -0.43 -4.46 118.16 110.67 1vhb n LYS 35 Ca -0.07 0.06 -0.19 0.00 -2.02 0.00 0.00 58.31 56.08 1vhb n LYS 35 Cb 0.36 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 33.75 1vhb n LYS 35 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1vhb n HIS 36 N -1.75 -0.64 -0.10 2.13 8.25 -0.50 -4.94 115.22 117.67 1vhb n HIS 36 Ca 0.06 -3.38 0.26 0.00 -0.26 0.00 0.00 57.72 54.40 1vhb n HIS 36 Cb 0.37 -0.05 0.72 0.00 1.12 0.00 0.00 29.99 32.15 1vhb n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1vhb h PRO 37 N 3.58 0.00 0.00 -0.41 0.11 -1.78 -0.59 132.00 132.91 1vhb h PRO 37 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1vhb h PRO 37 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1vhb h PRO 37 CO 0.44 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.28 1vhb h GLU 38 N 0.00 0.00 -0.00 1.05 9.09 -1.92 -1.21 114.58 121.59 1vhb h GLU 38 Ca 0.35 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.76 1vhb h GLU 38 Cb 1.48 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.58 1vhb h GLU 38 CO -0.00 0.00 -0.53 1.33 0.05 0.00 0.00 179.01 179.86 1vhb n VAL 39 N -2.96 0.00 -0.28 -1.06 0.24 -0.23 -4.26 118.33 109.77 1vhb n VAL 39 Ca -0.01 -0.04 0.06 0.00 -2.04 0.00 0.00 64.34 62.31 1vhb n VAL 39 Cb 0.17 0.44 0.28 0.00 -1.47 0.00 0.00 33.84 33.26 1vhb n VAL 39 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1vhb h ARG 40 N 0.36 0.90 0.00 7.34 3.08 -1.31 -1.17 114.38 123.58 1vhb h ARG 40 Ca 0.00 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1vhb h ARG 40 Cb 0.51 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1vhb h ARG 40 CO 0.00 0.60 -0.01 -1.35 -1.07 0.00 0.00 179.97 178.14 1vhb h PRO 41 N 0.93 0.00 0.00 0.04 0.11 -1.75 -2.29 132.00 129.04 1vhb h PRO 41 Ca 0.40 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.45 1vhb h PRO 41 Cb 0.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1vhb h PRO 41 CO -0.16 0.01 -0.28 -0.07 -0.21 0.00 0.00 178.00 177.29 1vhb h LEU 42 N 0.00 0.00 0.00 2.35 3.38 -1.49 -3.53 115.31 116.02 1vhb h LEU 42 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1vhb h LEU 42 Cb 0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1vhb h LEU 42 CO 0.00 0.28 -0.01 0.49 0.09 0.00 0.00 178.44 179.29 1vhb n PHE 43 N -3.31 -2.91 -4.64 1.13 3.72 -0.87 -4.99 117.46 105.59 1vhb n PHE 43 Ca 0.01 -0.36 -0.24 0.00 -0.05 0.00 0.00 57.45 56.81 1vhb n PHE 43 Cb 0.52 -0.10 -0.16 0.00 -0.94 0.00 0.00 39.48 38.81 1vhb n PHE 43 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1vhb s GLN 53 N -2.48 1.44 -0.75 -1.08 -0.21 -1.26 -5.04 119.66 110.28 1vhb s GLN 53 Ca 0.11 -0.47 -0.26 0.00 0.02 0.00 0.00 55.36 54.76 1vhb s GLN 53 Cb -0.01 -1.28 -0.05 0.00 1.00 0.00 0.00 33.01 32.68 1vhb s GLN 53 CO 0.07 0.18 2.01 -2.14 -2.12 0.00 0.00 175.29 173.29 1vhb s PRO 54 N 0.13 2.42 0.67 2.91 0.02 -1.26 -4.73 135.00 135.16 1vhb s PRO 54 Ca -0.04 0.28 0.42 0.00 0.02 0.00 0.00 61.00 61.68 1vhb s PRO 54 Cb -0.10 -4.75 2.31 0.00 0.02 0.00 0.00 34.50 31.98 1vhb s PRO 54 CO 0.01 -3.26 2.30 0.87 -0.33 0.00 0.00 177.00 176.59 1vhb h LYS 55 N 13.56 0.00 -0.01 5.54 1.79 -2.07 -2.88 116.57 132.50 1vhb h LYS 55 Ca -0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1vhb h LYS 55 Cb 1.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 1vhb h LYS 55 CO 1.18 0.00 -0.08 0.00 -1.08 0.00 0.00 179.45 179.47 1vhb n ALA 56 N -2.05 2.74 0.01 3.86 0.00 -1.26 -4.50 120.51 119.32 1vhb n ALA 56 Ca -0.03 -0.40 -0.11 0.00 0.00 0.00 0.00 53.44 52.90 1vhb n ALA 56 Cb 0.12 -1.20 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 1vhb n ALA 56 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1vhb h LEU 57 N 1.70 -1.02 -0.38 0.00 6.46 -1.91 0.31 115.31 120.46 1vhb h LEU 57 Ca 0.00 0.14 -0.09 0.00 -0.12 0.00 0.00 57.88 57.82 1vhb h LEU 57 Cb 0.45 0.43 -0.01 0.00 -0.73 0.00 0.00 40.66 40.80 1vhb h LEU 57 CO 0.00 -0.37 -0.11 0.00 -0.62 0.00 0.00 178.44 177.34 1vhb h ALA 58 N 0.35 0.52 -0.19 1.25 0.00 -1.86 -2.66 119.26 116.68 1vhb h ALA 58 Ca 0.09 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1vhb h ALA 58 Cb 0.56 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1vhb h ALA 58 CO -0.34 0.39 -0.13 0.52 0.00 0.00 0.00 179.25 179.70 1vhb h MET 59 N 0.54 0.30 -0.30 0.00 2.86 -1.77 -2.18 114.93 114.37 1vhb h MET 59 Ca 0.09 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.59 1vhb h MET 59 Cb 0.63 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 1vhb h MET 59 CO 0.04 0.44 -0.11 1.15 1.06 0.00 0.00 176.91 179.49 1vhb h THR 60 N 0.28 1.23 -0.53 2.22 2.02 -0.09 -0.76 112.91 117.27 1vhb h THR 60 Ca 0.06 -0.98 -0.02 0.00 0.77 0.00 0.00 66.41 66.23 1vhb h THR 60 Cb 0.40 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 1vhb h THR 60 CO 0.02 0.32 0.24 0.58 0.37 0.00 0.00 175.52 177.05 1vhb h VAL 61 N 0.47 1.21 -0.72 3.16 2.07 -1.08 -0.13 116.25 121.23 1vhb h VAL 61 Ca 0.09 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 1vhb h VAL 61 Cb 0.47 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1vhb h VAL 61 CO 0.03 0.24 0.31 -0.07 0.02 0.00 0.00 177.57 178.09 1vhb h LEU 62 N 0.72 0.98 -1.03 2.57 3.38 -1.12 0.13 115.31 120.94 1vhb h LEU 62 Ca 0.18 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1vhb h LEU 62 Cb 0.16 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1vhb h LEU 62 CO -0.02 0.87 0.12 0.00 0.09 0.00 0.00 178.44 179.50 1vhb h ALA 63 N 1.15 1.21 -0.46 1.53 0.00 -0.84 0.12 119.26 121.97 1vhb h ALA 63 Ca 0.24 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1vhb h ALA 63 Cb 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1vhb h ALA 63 CO -0.02 0.54 -0.20 0.00 0.00 0.00 0.00 179.25 179.57 1vhb h ALA 64 N 1.34 0.77 -0.45 0.00 0.00 0.04 -2.86 119.26 118.10 1vhb h ALA 64 Ca 0.17 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1vhb h ALA 64 Cb 0.30 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1vhb h ALA 64 CO -0.00 0.66 -0.01 0.00 0.00 0.00 0.00 179.25 179.90 1vhb h ALA 65 N 0.96 1.15 0.00 0.00 0.00 0.18 -1.69 119.26 119.85 1vhb h ALA 65 Ca 0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1vhb h ALA 65 Cb 0.76 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1vhb h ALA 65 CO 0.06 0.55 -0.11 0.37 0.00 0.00 0.00 179.25 180.12 1vhb h GLN 66 N 0.69 0.00 -0.63 0.00 4.15 -0.58 -2.18 115.11 116.56 1vhb h GLN 66 Ca 0.14 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.24 1vhb h GLN 66 Cb 0.44 0.00 -0.19 0.00 0.21 0.00 0.00 27.48 27.94 1vhb h GLN 66 CO 0.02 0.11 0.24 0.09 -1.93 0.00 0.00 178.83 177.35 1vhb n ASN 67 N -3.92 3.14 -0.20 -0.69 4.13 -0.67 -4.74 115.26 112.32 1vhb n ASN 67 Ca -0.02 -3.67 0.14 0.00 1.68 0.00 0.00 54.58 52.71 1vhb n ASN 67 Cb 0.20 -0.72 0.46 0.00 -1.54 0.00 0.00 39.78 38.18 1vhb n ASN 67 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 1vhb h ILE 68 N 1.11 0.81 0.00 2.41 6.09 -0.99 0.51 117.51 127.46 1vhb h ILE 68 Ca 0.39 -0.18 0.00 0.00 -1.37 0.00 0.00 64.86 63.70 1vhb h ILE 68 Cb 2.18 0.26 0.00 0.00 0.47 0.00 0.00 36.82 39.73 1vhb h ILE 68 CO 0.69 0.09 0.00 -0.33 -3.07 0.00 0.00 178.15 175.54 1vhb h GLU 69 N 0.51 0.00 -1.64 2.19 5.08 -1.86 -3.31 114.58 115.55 1vhb h GLU 69 Ca 0.39 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 58.27 1vhb h GLU 69 Cb 0.79 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.63 1vhb h GLU 69 CO -0.14 0.00 -1.02 -1.71 -1.00 0.00 0.00 179.01 175.14 1vhb n ASN 70 N -2.32 2.35 -0.28 1.42 4.05 0.12 -4.91 115.26 115.69 1vhb n ASN 70 Ca 0.04 -3.16 0.14 0.00 0.45 0.00 0.00 54.58 52.05 1vhb n ASN 70 Cb 0.37 -0.55 0.39 0.00 1.23 0.00 0.00 39.78 41.22 1vhb n ASN 70 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1vhb h LEU 71 N 2.92 0.63 -1.82 1.20 3.38 -1.53 -0.11 115.31 119.98 1vhb h LEU 71 Ca 0.08 0.05 0.20 0.00 0.09 0.00 0.00 57.88 58.29 1vhb h LEU 71 Cb 0.95 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1vhb h LEU 71 CO 0.62 0.29 0.53 -0.65 0.09 0.00 0.00 178.44 179.32 1vhb h PRO 72 N 0.65 0.15 0.00 1.13 0.11 -1.91 0.19 132.00 132.32 1vhb h PRO 72 Ca 0.48 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.57 1vhb h PRO 72 Cb 0.84 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 1vhb h PRO 72 CO -0.23 0.10 -0.03 0.00 -0.21 0.00 0.00 178.00 177.63 1vhb h ALA 73 N 1.64 1.15 -0.21 -0.75 0.00 -1.38 -2.36 119.26 117.34 1vhb h ALA 73 Ca 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1vhb h ALA 73 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1vhb h ALA 73 CO -0.06 0.04 0.00 0.44 0.00 0.00 0.00 179.25 179.67 1vhb n ILE 74 N -3.33 0.25 -0.18 0.00 -5.35 0.66 -4.51 119.36 106.89 1vhb n ILE 74 Ca -0.02 -0.52 -0.01 0.00 -0.27 0.00 0.00 62.75 61.93 1vhb n ILE 74 Cb 0.16 0.85 0.07 0.00 -1.74 0.00 0.00 39.64 38.97 1vhb n ILE 74 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1vhb h LEU 75 N 3.60 -0.37 -1.19 7.28 3.38 -1.46 -1.11 115.31 125.45 1vhb h LEU 75 Ca 0.00 0.15 0.13 0.00 0.09 0.00 0.00 57.88 58.25 1vhb h LEU 75 Cb 0.78 0.29 -0.07 0.00 0.09 0.00 0.00 40.66 41.75 1vhb h LEU 75 CO 0.00 -0.14 0.59 -0.65 0.09 0.00 0.00 178.44 178.33 1vhb h PRO 76 N 0.06 0.78 -0.04 1.13 0.11 -1.83 0.15 132.00 132.37 1vhb h PRO 76 Ca 0.28 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.33 1vhb h PRO 76 Cb 0.44 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.38 1vhb h PRO 76 CO -0.52 0.52 -0.06 0.00 -0.21 0.00 0.00 178.00 177.72 1vhb h ALA 77 N 1.58 0.06 -0.90 -0.75 0.00 -1.63 -2.97 119.26 114.64 1vhb h ALA 77 Ca 0.46 -0.30 0.15 0.00 0.00 0.00 0.00 54.91 55.22 1vhb h ALA 77 Cb 0.62 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 1vhb h ALA 77 CO -0.23 -0.12 0.50 0.28 0.00 0.00 0.00 179.25 179.69 1vhb h VAL 78 N -0.40 0.77 -0.56 0.00 2.07 -0.72 -1.54 116.25 115.86 1vhb h VAL 78 Ca 0.00 -0.25 -0.10 0.00 0.82 0.00 0.00 66.70 67.17 1vhb h VAL 78 Cb 0.62 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1vhb h VAL 78 CO 0.01 0.13 -0.06 0.50 0.02 0.00 0.00 177.57 178.18 1vhb h LYS 79 N 0.72 1.02 -0.39 1.57 1.63 -0.73 -0.40 116.57 119.98 1vhb h LYS 79 Ca 0.49 -0.34 -0.11 0.00 -0.85 0.00 0.00 60.65 59.83 1vhb h LYS 79 Cb 0.66 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.19 1vhb h LYS 79 CO -0.34 1.03 -0.19 -0.22 -3.45 0.00 0.00 179.45 176.27 1vhb h LYS 80 N 0.92 0.83 -0.48 1.90 1.63 -1.15 -2.80 116.57 117.41 1vhb h LYS 80 Ca 0.15 -0.36 -0.04 0.00 -0.85 0.00 0.00 60.65 59.55 1vhb h LYS 80 Cb 0.61 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.20 1vhb h LYS 80 CO 0.04 1.00 0.14 0.82 -3.45 0.00 0.00 179.45 177.99 1vhb h ILE 81 N 0.64 1.23 -0.66 2.00 2.04 -1.20 -3.06 117.51 118.50 1vhb h ILE 81 Ca 0.09 -0.78 0.14 0.00 1.00 0.00 0.00 64.86 65.30 1vhb h ILE 81 Cb 0.75 0.83 -0.10 0.00 -0.74 0.00 0.00 36.82 37.56 1vhb h ILE 81 CO 0.06 0.28 0.11 0.00 0.00 0.00 0.00 178.15 178.60 1vhb h ALA 82 N 1.00 0.78 -0.77 1.87 0.00 -1.04 0.16 119.26 121.25 1vhb h ALA 82 Ca 0.15 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1vhb h ALA 82 Cb 0.29 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1vhb h ALA 82 CO -0.00 -0.34 0.43 0.28 0.00 0.00 0.00 179.25 179.62 1vhb h VAL 83 N 0.22 1.23 -0.42 0.00 2.07 -1.40 -0.09 116.25 117.86 1vhb h VAL 83 Ca 0.36 -0.55 -0.13 0.00 0.82 0.00 0.00 66.70 67.20 1vhb h VAL 83 Cb 0.58 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1vhb h VAL 83 CO -0.48 0.25 -0.23 0.11 0.02 0.00 0.00 177.57 177.24 1vhb h LYS 84 N 1.08 0.89 -0.67 1.57 1.57 -0.88 -1.29 116.57 118.84 1vhb h LYS 84 Ca 0.27 -0.40 0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1vhb h LYS 84 Cb 0.01 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 1vhb h LYS 84 CO -0.05 1.05 0.41 0.45 -0.57 0.00 0.00 179.45 180.75 1vhb h HIS 85 N 0.71 0.78 -0.24 -1.35 3.86 -0.37 -2.19 115.15 116.35 1vhb h HIS 85 Ca 0.09 0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.21 1vhb h HIS 85 Cb 0.80 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 1vhb h HIS 85 CO 0.06 0.45 -0.34 0.00 0.86 0.00 0.00 177.93 178.95 1vhb h GLN 87 N 0.43 0.45 0.00 0.00 1.08 -1.03 -3.14 115.11 112.90 1vhb h GLN 87 Ca 0.05 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1vhb h GLN 87 Cb 0.80 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 28.18 1vhb h GLN 87 CO 0.07 0.56 -0.46 0.00 -0.95 0.00 0.00 178.83 178.05 1vhb h ALA 88 N 1.47 0.72 0.00 3.87 0.00 -0.96 -3.48 119.26 120.88 1vhb h ALA 88 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1vhb h ALA 88 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1vhb h ALA 88 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1vhb n GLY 89 N 1.27 1.01 3.73 0.00 0.00 -0.76 -4.91 105.19 105.53 1vhb n GLY 89 Ca 0.03 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 1vhb n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vhb s VAL 90 N -2.00 2.65 0.25 1.61 1.01 -0.67 -5.02 120.40 118.24 1vhb s VAL 90 Ca 0.00 0.49 0.10 0.00 0.00 0.00 0.00 61.98 62.57 1vhb s VAL 90 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1vhb s VAL 90 CO 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 175.10 175.11 1vhb s ALA 91 N 0.77 3.08 0.48 5.51 0.00 -1.26 -4.83 121.76 125.51 1vhb s ALA 91 Ca 0.66 -1.65 0.15 0.00 0.00 0.00 0.00 51.96 51.12 1vhb s ALA 91 Cb -0.43 -0.71 1.11 0.00 0.00 0.00 0.00 23.12 23.09 1vhb s ALA 91 CO 0.35 0.30 2.07 0.00 0.00 0.00 0.00 175.76 178.48 1vhb h ALA 92 N 2.10 1.83 0.00 0.00 0.00 -1.95 -1.40 119.26 119.84 1vhb h ALA 92 Ca -0.44 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1vhb h ALA 92 Cb 1.24 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1vhb h ALA 92 CO 0.59 0.13 -0.02 0.00 0.00 0.00 0.00 179.25 179.95 1vhb h ALA 93 N 1.89 1.01 0.00 0.00 0.00 -2.01 -1.76 119.26 118.38 1vhb h ALA 93 Ca 0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1vhb h ALA 93 Cb 0.15 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1vhb h ALA 93 CO 0.01 0.02 -0.33 0.45 0.00 0.00 0.00 179.25 179.39 1vhb h HIS 94 N 0.00 0.00 -0.60 0.00 -0.00 -1.65 -3.36 115.15 109.53 1vhb h HIS 94 Ca -0.00 0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.44 1vhb h HIS 94 Cb 0.48 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.83 1vhb h HIS 94 CO 0.00 0.33 0.27 1.88 -0.00 0.00 0.00 177.93 180.42 1vhb h TYR 95 N 0.00 0.49 -0.02 2.45 -1.99 -1.39 -2.24 116.97 114.27 1vhb h TYR 95 Ca -0.00 0.03 -0.08 0.00 2.00 0.00 0.00 58.73 60.68 1vhb h TYR 95 Cb 0.79 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 39.38 1vhb h TYR 95 CO 0.00 0.19 -0.35 -1.35 -0.00 0.00 0.00 178.16 176.65 1vhb h PRO 96 N 0.50 0.03 -0.21 4.88 0.11 -1.76 -0.46 132.00 135.09 1vhb h PRO 96 Ca 0.28 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.27 1vhb h PRO 96 Cb 0.27 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.38 1vhb h PRO 96 CO -0.24 0.38 -0.31 0.82 -0.21 0.00 0.00 178.00 178.45 1vhb h ILE 97 N 0.03 1.33 -0.70 4.15 2.04 -1.62 0.33 117.51 123.07 1vhb h ILE 97 Ca 0.00 -1.52 -0.06 0.00 1.00 0.00 0.00 64.86 64.28 1vhb h ILE 97 Cb 0.64 1.80 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 1vhb h ILE 97 CO 0.05 0.47 0.21 0.58 0.00 0.00 0.00 178.15 179.46 1vhb h VAL 98 N 0.26 1.25 -0.67 1.67 2.07 -1.13 -2.19 116.25 117.52 1vhb h VAL 98 Ca 0.02 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 1vhb h VAL 98 Cb 0.89 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1vhb h VAL 98 CO 0.07 0.35 0.28 1.23 0.02 0.00 0.00 177.57 179.52 1vhb h GLY 99 N 1.09 1.06 0.99 2.17 0.00 -0.87 -0.69 103.07 106.82 1vhb h GLY 99 Ca 0.23 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1vhb h GLY 99 CO -0.01 0.54 0.34 -1.61 0.00 0.00 0.00 176.54 175.80 1vhb h GLN 100 N 0.94 0.78 -0.05 4.80 4.15 -0.61 -0.90 115.11 124.22 1vhb h GLN 100 Ca 0.22 -0.08 -0.14 0.00 0.77 0.00 0.00 58.65 59.43 1vhb h GLN 100 Cb 0.19 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 1vhb h GLN 100 CO -0.02 0.57 -0.59 0.93 -1.93 0.00 0.00 178.83 177.79 1vhb h GLU 101 N 0.77 0.18 -0.04 1.69 4.39 -0.96 -1.92 114.58 118.69 1vhb h GLU 101 Ca 0.20 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.78 1vhb h GLU 101 Cb -0.00 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 1vhb h GLU 101 CO -0.04 0.72 0.00 1.25 -1.16 0.00 0.00 179.01 179.78 1vhb h LEU 102 N 0.14 0.07 -1.06 1.33 7.12 -0.86 -1.30 115.31 120.76 1vhb h LEU 102 Ca -0.00 -0.31 0.04 0.00 0.13 0.00 0.00 57.88 57.74 1vhb h LEU 102 Cb 1.08 -0.02 -0.06 0.00 -0.53 0.00 0.00 40.66 41.13 1vhb h LEU 102 CO 0.09 0.36 0.63 -0.07 -0.13 0.00 0.00 178.44 179.32 1vhb h LEU 103 N -0.22 1.05 -0.78 2.25 -0.00 -1.17 -0.13 115.31 116.31 1vhb h LEU 103 Ca 0.01 -0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1vhb h LEU 103 Cb 0.32 -0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 40.71 1vhb h LEU 103 CO 0.00 0.71 0.38 1.23 -0.00 0.00 0.00 178.44 180.76 1vhb h GLY 104 N 1.21 1.21 1.03 0.83 0.00 -1.18 -1.14 103.07 105.04 1vhb h GLY 104 Ca 0.39 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 1vhb h GLY 104 CO -0.12 0.57 0.20 0.00 0.00 0.00 0.00 176.54 177.19 1vhb h ALA 105 N 1.19 0.87 -0.87 3.60 0.00 -0.04 -2.69 119.26 121.33 1vhb h ALA 105 Ca 0.27 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1vhb h ALA 105 Cb 0.12 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1vhb h ALA 105 CO -0.03 0.56 0.46 0.82 0.00 0.00 0.00 179.25 181.06 1vhb h ILE 106 N 0.97 1.26 -0.50 0.00 2.04 -0.76 -2.52 117.51 118.01 1vhb h ILE 106 Ca 0.21 -0.66 -0.09 0.00 1.00 0.00 0.00 64.86 65.33 1vhb h ILE 106 Cb 0.31 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1vhb h ILE 106 CO -0.00 0.29 -0.05 0.50 0.00 0.00 0.00 178.15 178.89 1vhb h LYS 107 N 1.22 0.91 -0.66 2.37 3.64 -1.04 -1.08 116.57 121.93 1vhb h LYS 107 Ca 0.30 -0.32 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1vhb h LYS 107 Cb 0.05 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 1vhb h LYS 107 CO -0.05 0.96 0.43 1.49 -2.27 0.00 0.00 179.45 180.01 1vhb h GLU 108 N 0.77 0.83 -0.26 1.90 4.81 -1.34 -1.73 114.58 119.56 1vhb h GLU 108 Ca 0.13 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.17 1vhb h GLU 108 Cb 0.59 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1vhb h GLU 108 CO 0.04 0.55 -0.45 0.28 -0.73 0.00 0.00 179.01 178.70 1vhb h VAL 109 N 0.85 1.30 -0.01 0.32 2.07 -1.29 -3.24 116.25 116.25 1vhb h VAL 109 Ca 0.26 -1.64 -0.16 0.00 0.82 0.00 0.00 66.70 65.98 1vhb h VAL 109 Cb -0.04 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1vhb h VAL 109 CO -0.08 0.52 -0.72 -0.07 0.02 0.00 0.00 177.57 177.24 1vhb h LEU 110 N 0.52 0.07 0.00 2.57 3.38 -0.83 -3.48 115.31 117.54 1vhb h LEU 110 Ca 0.03 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1vhb h LEU 110 Cb 0.98 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1vhb h LEU 110 CO 0.09 0.76 0.00 0.61 0.09 0.00 0.00 178.44 179.99 1vhb n GLY 111 N 0.53 3.48 0.26 0.83 0.00 -0.68 -2.42 105.19 107.18 1vhb n GLY 111 Ca -0.01 -0.13 0.04 0.00 0.00 0.00 0.00 46.02 45.91 1vhb n GLY 111 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1vhb h ASP 112 N 1.47 -0.02 0.01 1.61 3.32 -1.93 -0.19 116.42 120.68 1vhb h ASP 112 Ca 0.00 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1vhb h ASP 112 Cb 0.00 0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1vhb h ASP 112 CO 0.00 -0.03 0.00 0.00 -1.72 0.00 0.00 179.24 177.49 1vhb n ALA 113 N -2.66 1.63 -2.72 3.45 0.00 -1.02 -4.43 120.51 114.76 1vhb n ALA 113 Ca 0.12 -0.03 -0.43 0.00 0.00 0.00 0.00 53.44 53.11 1vhb n ALA 113 Cb 0.41 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.79 1vhb n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vhb s ALA 114 N -2.04 3.47 0.52 0.00 0.00 -0.08 -4.97 121.76 118.66 1vhb s ALA 114 Ca 0.06 -2.98 -0.12 0.00 0.00 0.00 0.00 51.96 48.92 1vhb s ALA 114 Cb 0.03 -4.42 -0.06 0.00 0.00 0.00 0.00 23.12 18.67 1vhb s ALA 114 CO 0.05 -3.14 0.93 0.95 0.00 0.00 0.00 175.76 174.54 1vhb s THR 115 N 3.35 4.68 0.39 0.00 -4.23 -1.26 -4.90 115.64 113.67 1vhb s THR 115 Ca 0.48 0.87 0.08 0.00 -1.18 0.00 0.00 61.69 61.94 1vhb s THR 115 Cb 0.01 -3.78 0.29 0.00 1.34 0.00 0.00 72.50 70.35 1vhb s THR 115 CO 0.02 -0.81 2.00 0.44 -0.54 0.00 0.00 174.62 175.73 1vhb h ASP 116 N 0.54 0.54 0.47 3.99 3.32 -1.98 -0.62 116.42 122.69 1vhb h ASP 116 Ca -0.46 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.51 1vhb h ASP 116 Cb 1.19 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 1vhb h ASP 116 CO 0.62 0.36 -0.38 0.44 -1.72 0.00 0.00 179.24 178.57 1vhb h ASP 117 N 0.62 0.00 0.03 6.45 3.32 -1.98 0.10 116.42 124.95 1vhb h ASP 117 Ca 0.24 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.12 1vhb h ASP 117 Cb 0.19 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.75 1vhb h ASP 117 CO -0.07 0.38 -0.70 0.40 -1.72 0.00 0.00 179.24 177.53 1vhb h ILE 118 N 0.00 1.42 -0.31 0.35 2.04 -1.51 -2.14 117.51 117.37 1vhb h ILE 118 Ca -0.00 -2.18 -0.00 0.00 1.00 0.00 0.00 64.86 63.68 1vhb h ILE 118 Cb 0.71 2.68 -0.02 0.00 -0.74 0.00 0.00 36.82 39.46 1vhb h ILE 118 CO 0.05 0.64 0.19 -0.07 0.00 0.00 0.00 178.15 178.96 1vhb h LEU 119 N -0.09 0.37 -1.27 1.44 3.38 -1.20 -0.65 115.31 117.29 1vhb h LEU 119 Ca -0.09 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1vhb h LEU 119 Cb 1.42 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 42.05 1vhb h LEU 119 CO 0.14 0.30 0.23 0.44 0.09 0.00 0.00 178.44 179.64 1vhb h ASP 120 N 0.40 0.66 -0.21 -0.43 5.19 -0.84 -0.20 116.42 121.00 1vhb h ASP 120 Ca 0.11 -0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1vhb h ASP 120 Cb -0.00 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.33 1vhb h ASP 120 CO -0.02 0.58 0.12 0.00 -3.12 0.00 0.00 179.24 176.80 1vhb h ALA 121 N 1.52 0.26 -0.49 3.45 0.00 -0.62 -1.17 119.26 122.22 1vhb h ALA 121 Ca 0.18 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1vhb h ALA 121 Cb 0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1vhb h ALA 121 CO -0.02 -0.22 0.05 -1.49 0.00 0.00 0.00 179.25 177.57 1vhb h TRP 122 N 0.24 0.82 -0.52 0.00 4.06 -0.77 0.20 115.95 120.00 1vhb h TRP 122 Ca 0.07 -0.10 -0.03 0.00 2.06 0.00 0.00 58.89 60.90 1vhb h TRP 122 Cb 0.04 -0.23 -0.02 0.00 -1.00 0.00 0.00 29.16 27.94 1vhb h TRP 122 CO -0.04 0.74 0.21 0.78 -3.56 0.00 0.00 178.44 176.57 1vhb h GLY 123 N 0.96 0.82 0.96 1.49 0.00 -0.72 0.12 103.07 106.70 1vhb h GLY 123 Ca 0.15 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1vhb h GLY 123 CO 0.01 0.42 0.19 0.50 0.00 0.00 0.00 176.54 177.66 1vhb h LYS 124 N 0.69 0.67 -0.29 4.80 1.57 -0.70 -0.89 116.57 122.43 1vhb h LYS 124 Ca 0.17 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1vhb h LYS 124 Cb 0.18 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1vhb h LYS 124 CO -0.02 0.60 0.15 0.00 -0.57 0.00 0.00 179.45 179.62 1vhb h ALA 125 N 1.03 0.35 -0.75 3.86 0.00 -0.22 -2.20 119.26 121.34 1vhb h ALA 125 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1vhb h ALA 125 Cb 0.18 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1vhb h ALA 125 CO -0.01 -0.23 0.49 -0.92 0.00 0.00 0.00 179.25 178.58 1vhb h TYR 126 N 0.32 0.92 -0.45 0.00 3.20 -0.45 -1.76 116.97 118.75 1vhb h TYR 126 Ca 0.11 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.10 1vhb h TYR 126 Cb 0.02 -0.31 -0.08 0.00 1.54 0.00 0.00 36.73 37.90 1vhb h TYR 126 CO -0.09 0.56 -0.07 0.78 -1.64 0.00 0.00 178.16 177.70 1vhb h GLY 127 N 0.98 0.37 1.07 1.82 0.00 -0.91 0.63 103.07 107.04 1vhb h GLY 127 Ca 0.28 0.12 -0.08 0.00 0.00 0.00 0.00 47.33 47.65 1vhb h GLY 127 CO -0.08 -0.16 0.10 -2.08 0.00 0.00 0.00 176.54 174.33 1vhb h VAL 128 N 0.03 1.26 -0.22 4.60 2.07 -0.72 -1.76 116.25 121.52 1vhb h VAL 128 Ca 0.22 -1.05 -0.16 0.00 0.82 0.00 0.00 66.70 66.53 1vhb h VAL 128 Cb 0.33 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1vhb h VAL 128 CO -0.43 0.39 -0.51 0.40 0.02 0.00 0.00 177.57 177.44 1vhb h ILE 129 N 1.04 1.31 -0.74 4.57 2.04 -0.53 -3.03 117.51 122.16 1vhb h ILE 129 Ca 0.20 -1.73 -0.02 0.00 1.00 0.00 0.00 64.86 64.31 1vhb h ILE 129 Cb 0.45 1.69 -0.04 0.00 -0.74 0.00 0.00 36.82 38.18 1vhb h ILE 129 CO 0.01 0.55 0.38 0.00 0.00 0.00 0.00 178.15 179.09 1vhb h ALA 130 N 0.94 1.27 -0.86 1.87 0.00 0.64 -2.76 119.26 120.35 1vhb h ALA 130 Ca 0.02 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1vhb h ALA 130 Cb 1.06 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 1vhb h ALA 130 CO 0.10 0.57 0.54 -0.44 0.00 0.00 0.00 179.25 180.03 1vhb h ASP 131 N 1.04 0.87 -0.12 0.00 3.32 -1.22 0.17 116.42 120.48 1vhb h ASP 131 Ca 0.26 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 1vhb h ASP 131 Cb 0.07 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1vhb h ASP 131 CO -0.04 0.57 0.05 0.58 -1.72 0.00 0.00 179.24 178.68 1vhb h VAL 132 N 1.01 1.13 -0.26 -1.35 2.07 -1.40 -1.10 116.25 116.36 1vhb h VAL 132 Ca 0.37 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1vhb h VAL 132 Cb 0.12 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1vhb h VAL 132 CO -0.16 0.12 0.15 -0.26 0.02 0.00 0.00 177.57 177.44 1vhb h PHE 133 N 0.05 0.34 -0.68 1.57 0.04 -1.15 -1.72 116.94 115.40 1vhb h PHE 133 Ca 0.04 -0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.91 1vhb h PHE 133 Cb 0.14 -0.11 -0.08 0.00 2.20 0.00 0.00 35.95 38.10 1vhb h PHE 133 CO -0.02 0.28 0.28 0.82 -0.60 0.00 0.00 178.31 179.07 1vhb h ILE 134 N 0.31 0.76 -0.17 -0.55 2.04 -0.56 -0.49 117.51 118.86 1vhb h ILE 134 Ca 0.09 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 1vhb h ILE 134 Cb 0.04 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1vhb h ILE 134 CO -0.02 0.09 0.01 1.56 0.00 0.00 0.00 178.15 179.79 1vhb h GLN 135 N 0.48 0.30 -0.74 2.37 1.08 -0.96 0.71 115.11 118.35 1vhb h GLN 135 Ca 0.35 -0.09 0.03 0.00 -1.45 0.00 0.00 58.65 57.48 1vhb h GLN 135 Cb 0.44 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.80 1vhb h GLN 135 CO -0.32 0.51 0.47 0.28 -0.95 0.00 0.00 178.83 178.82 1vhb h VAL 136 N 0.06 1.12 -0.37 -0.54 2.07 -1.07 -1.18 116.25 116.34 1vhb h VAL 136 Ca 0.05 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 67.14 1vhb h VAL 136 Cb 0.37 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1vhb h VAL 136 CO 0.01 0.17 -0.21 -0.33 0.02 0.00 0.00 177.57 177.23 1vhb h GLU 137 N 0.93 0.80 -0.80 1.57 5.08 -0.94 -1.22 114.58 120.00 1vhb h GLU 137 Ca 0.29 -0.36 0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1vhb h GLU 137 Cb -0.01 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 1vhb h GLU 137 CO -0.10 0.99 0.53 0.00 -1.00 0.00 0.00 179.01 179.43 1vhb h ALA 138 N 0.79 1.64 -0.29 3.43 0.00 -0.49 0.37 119.26 124.72 1vhb h ALA 138 Ca 0.08 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1vhb h ALA 138 Cb 0.77 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1vhb h ALA 138 CO 0.06 0.22 -0.40 -0.44 0.00 0.00 0.00 179.25 178.70 1vhb h ASP 139 N 0.85 0.72 -0.44 0.00 3.32 -1.03 -1.74 116.42 118.11 1vhb h ASP 139 Ca 0.35 -0.32 -0.14 0.00 0.02 0.00 0.00 57.03 56.94 1vhb h ASP 139 Cb 0.27 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1vhb h ASP 139 CO -0.13 1.03 -0.28 -0.07 -1.72 0.00 0.00 179.24 178.08 1vhb h LEU 140 N 0.56 1.00 -0.45 1.55 3.38 -0.20 0.32 115.31 121.47 1vhb h LEU 140 Ca 0.05 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1vhb h LEU 140 Cb 0.93 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1vhb h LEU 140 CO 0.08 1.21 0.24 1.88 0.09 0.00 0.00 178.44 181.95 1vhb h TYR 141 N 0.80 0.63 -0.52 1.13 0.05 -0.78 -1.97 116.97 116.31 1vhb h TYR 141 Ca 0.09 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 1vhb h TYR 141 Cb 0.86 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 38.38 1vhb h TYR 141 CO 0.06 0.48 0.27 0.00 -1.05 0.00 0.00 178.16 177.92 1vhb h ALA 142 N 1.09 0.67 0.00 3.88 0.00 -1.16 -1.39 119.26 122.35 1vhb h ALA 142 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1vhb h ALA 142 Cb 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1vhb h ALA 142 CO -0.02 0.21 0.00 1.96 0.00 0.00 0.00 179.25 181.40 1vhb h GLN 143 N 0.70 0.00 0.00 0.00 4.20 0.10 -2.99 115.11 117.12 1vhb h GLN 143 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1vhb h GLN 143 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1vhb h GLN 143 CO -0.03 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.13 1vhb h ALA 144 N 2.04 1.00 -0.01 3.87 0.00 -0.50 -3.50 119.26 122.16 1vhb h ALA 144 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vhb h ALA 144 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1vhb h ALA 144 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.58