#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3vhb s ASP 3 N 0.00 7.03 0.24 -1.43 -4.77 -1.26 -4.83 116.67 111.65 3vhb s ASP 3 Ca 0.00 1.93 -0.06 0.00 -3.30 0.00 0.00 52.55 51.13 3vhb s ASP 3 Cb 0.00 -2.58 0.45 0.00 -1.09 0.00 0.00 42.92 39.70 3vhb s ASP 3 CO 0.00 -0.30 1.67 -0.61 0.70 0.00 0.00 175.17 176.63 3vhb h GLN 4 N 2.77 0.19 -0.80 2.11 5.75 -2.04 0.99 115.11 124.08 3vhb h GLN 4 Ca -0.48 -0.01 0.09 0.00 -0.15 0.00 0.00 58.65 58.10 3vhb h GLN 4 Cb 1.20 -0.04 -0.07 0.00 1.07 0.00 0.00 27.48 29.64 3vhb h GLN 4 CO 0.63 0.13 0.45 0.37 -2.65 0.00 0.00 178.83 177.77 3vhb h GLN 5 N 0.20 0.75 0.80 1.69 5.75 -1.97 4.44 115.11 126.77 3vhb h GLN 5 Ca 0.41 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.83 3vhb h GLN 5 Cb 0.71 -0.17 0.01 0.00 1.07 0.00 0.00 27.48 29.10 3vhb h GLN 5 CO -0.56 0.50 -0.38 1.15 -2.65 0.00 0.00 178.83 176.88 3vhb h THR 6 N 0.77 0.14 -0.61 2.39 2.02 -1.38 1.45 112.91 117.69 3vhb h THR 6 Ca 0.38 -0.12 0.11 0.00 0.77 0.00 0.00 66.41 67.56 3vhb h THR 6 Cb 0.33 0.16 -0.09 0.00 -1.74 0.00 0.00 68.15 66.82 3vhb h THR 6 CO -0.24 0.01 0.14 0.40 0.37 0.00 0.00 175.52 176.20 3vhb h ILE 7 N -1.17 0.64 -0.09 3.11 2.04 -0.34 0.30 117.51 122.01 3vhb h ILE 7 Ca -0.11 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.66 3vhb h ILE 7 Cb 0.83 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3vhb h ILE 7 CO 0.18 0.05 0.03 0.78 0.00 0.00 0.00 178.15 179.19 3vhb h ASN 8 N 0.27 0.04 -0.46 1.72 -0.26 0.96 -0.65 115.58 117.21 3vhb h ASN 8 Ca 0.32 0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 56.03 3vhb h ASN 8 Cb 0.48 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.71 3vhb h ASN 8 CO -0.40 0.04 0.16 -0.29 -1.06 0.00 0.00 177.43 175.88 3vhb h ILE 9 N 0.08 1.21 -0.02 2.81 -0.00 0.30 -0.78 117.51 121.11 3vhb h ILE 9 Ca 0.04 -0.71 0.00 0.00 -0.00 0.00 0.00 64.86 64.19 3vhb h ILE 9 Cb 0.01 0.65 -0.00 0.00 -0.00 0.00 0.00 36.82 37.48 3vhb h ILE 9 CO -0.03 0.27 -0.00 0.40 -0.00 0.00 0.00 178.15 178.78 3vhb h ILE 10 N 0.75 0.98 -0.70 2.19 1.08 0.09 -0.85 117.51 121.04 3vhb h ILE 10 Ca 0.17 -0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.60 3vhb h ILE 10 Cb 0.23 0.98 -0.03 0.00 -3.07 0.00 0.00 36.82 34.92 3vhb h ILE 10 CO -0.01 0.00 0.26 0.11 -0.69 0.00 0.00 178.15 177.82 3vhb h LYS 11 N 0.00 1.05 -0.60 2.37 1.57 -0.64 -2.88 116.57 117.45 3vhb h LYS 11 Ca 0.01 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.54 3vhb h LYS 11 Cb 0.01 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 3vhb h LYS 11 CO -0.02 0.87 0.17 0.00 -0.57 0.00 0.00 179.45 179.90 3vhb h ALA 12 N 1.25 1.16 0.00 3.86 0.00 -0.91 -3.34 119.26 121.28 3vhb h ALA 12 Ca 0.23 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3vhb h ALA 12 Cb 0.23 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3vhb h ALA 12 CO -0.02 0.58 -1.36 0.25 0.00 0.00 0.00 179.25 178.71 3vhb n THR 13 N -4.27 0.19 -0.30 0.00 -2.24 -0.35 -4.43 114.28 102.88 3vhb n THR 13 Ca 0.05 -0.37 0.14 0.00 -2.27 0.00 0.00 64.05 61.59 3vhb n THR 13 Cb 0.22 0.10 0.30 0.00 -2.10 0.00 0.00 70.33 68.85 3vhb n THR 13 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 3vhb h VAL 14 N 0.00 0.31 -0.12 2.28 2.07 -1.65 0.48 116.25 119.62 3vhb h VAL 14 Ca 0.00 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 3vhb h VAL 14 Cb 0.86 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3vhb h VAL 14 CO 0.00 0.04 0.07 -0.65 0.02 0.00 0.00 177.57 177.05 3vhb h PRO 15 N 0.21 0.17 -0.45 1.57 0.11 -1.83 1.56 132.00 133.34 3vhb h PRO 15 Ca 0.56 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.67 3vhb h PRO 15 Cb 1.15 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 3vhb h PRO 15 CO -0.66 0.18 0.28 0.28 -0.21 0.00 0.00 178.00 177.87 3vhb h VAL 16 N 0.11 1.07 0.48 3.15 2.07 -1.68 0.36 116.25 121.82 3vhb h VAL 16 Ca 0.04 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3vhb h VAL 16 Cb 0.06 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3vhb h VAL 16 CO -0.01 0.10 -0.31 -0.07 0.02 0.00 0.00 177.57 177.30 3vhb h LEU 17 N 0.56 -0.80 -1.44 2.57 3.38 -0.42 -2.57 115.31 116.59 3vhb h LEU 17 Ca 0.17 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.29 3vhb h LEU 17 Cb -0.02 0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 3vhb h LEU 17 CO -0.06 -0.49 0.47 0.50 0.09 0.00 0.00 178.44 178.95 3vhb h LYS 18 N -0.76 0.61 0.00 1.13 1.63 0.26 0.58 116.57 120.02 3vhb h LYS 18 Ca -0.05 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.71 3vhb h LYS 18 Cb 0.63 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.12 3vhb h LYS 18 CO 0.04 0.41 -0.03 1.49 -3.45 0.00 0.00 179.45 177.91 3vhb h GLU 19 N 0.63 0.00 -0.25 1.90 4.81 0.12 -2.93 114.58 118.87 3vhb h GLU 19 Ca 0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3vhb h GLU 19 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3vhb h GLU 19 CO -0.11 0.03 0.00 0.72 -0.73 0.00 0.00 179.01 178.91 3vhb n HIS 20 N -3.63 0.52 -0.15 0.92 8.25 0.16 -4.82 115.22 116.47 3vhb n HIS 20 Ca -0.03 -0.66 -0.11 0.00 -0.26 0.00 0.00 57.72 56.66 3vhb n HIS 20 Cb 0.12 -0.13 -0.06 0.00 1.12 0.00 0.00 29.99 31.03 3vhb n HIS 20 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3vhb h GLY 21 N 1.53 -0.68 -0.36 -1.41 0.00 -1.28 -1.80 103.07 99.08 3vhb h GLY 21 Ca 0.00 0.61 0.12 0.00 0.00 0.00 0.00 47.33 48.06 3vhb h GLY 21 CO 0.07 -0.15 -0.24 -2.08 0.00 0.00 0.00 176.54 174.14 3vhb h VAL 22 N -0.32 0.26 0.31 4.60 2.07 -1.87 0.69 116.25 121.99 3vhb h VAL 22 Ca 0.13 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.63 3vhb h VAL 22 Cb 0.58 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3vhb h VAL 22 CO -0.61 0.00 -0.15 0.74 0.02 0.00 0.00 177.57 177.56 3vhb h THR 23 N -0.08 0.71 -0.37 2.57 2.02 -1.93 1.04 112.91 116.88 3vhb h THR 23 Ca 0.28 -0.42 0.08 0.00 0.77 0.00 0.00 66.41 67.12 3vhb h THR 23 Cb 0.52 0.93 -0.09 0.00 -1.74 0.00 0.00 68.15 67.77 3vhb h THR 23 CO -0.68 0.09 -0.25 0.40 0.37 0.00 0.00 175.52 175.44 3vhb h ILE 24 N -0.66 0.34 -0.02 3.11 2.04 -0.41 1.11 117.51 123.01 3vhb h ILE 24 Ca -0.04 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.82 3vhb h ILE 24 Cb 0.46 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 3vhb h ILE 24 CO 0.07 0.00 -0.02 0.74 0.00 0.00 0.00 178.15 178.94 3vhb h THR 25 N -0.20 0.95 -0.21 -0.27 2.02 0.59 1.46 112.91 117.25 3vhb h THR 25 Ca 0.18 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.35 3vhb h THR 25 Cb 0.48 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.83 3vhb h THR 25 CO -0.49 0.00 0.10 0.74 0.37 0.00 0.00 175.52 176.24 3vhb h THR 26 N -0.02 1.15 -0.59 3.16 2.02 0.29 -0.99 112.91 117.92 3vhb h THR 26 Ca 0.02 -0.43 -0.09 0.00 0.77 0.00 0.00 66.41 66.68 3vhb h THR 26 Cb 0.04 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3vhb h THR 26 CO -0.04 0.14 0.01 0.74 0.37 0.00 0.00 175.52 176.75 3vhb h THR 27 N 0.20 1.26 -0.48 3.16 2.02 0.13 -2.94 112.91 116.26 3vhb h THR 27 Ca 0.07 -1.11 0.08 0.00 0.77 0.00 0.00 66.41 66.22 3vhb h THR 27 Cb 0.14 0.79 -0.06 0.00 -1.74 0.00 0.00 68.15 67.28 3vhb h THR 27 CO -0.01 0.40 0.12 0.15 0.37 0.00 0.00 175.52 176.56 3vhb h PHE 28 N 0.93 0.21 -0.18 3.16 3.57 0.28 -2.52 116.94 122.38 3vhb h PHE 28 Ca 0.17 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.57 3vhb h PHE 28 Cb 0.52 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 3vhb h PHE 28 CO 0.03 0.03 -0.45 1.88 -2.23 0.00 0.00 178.31 177.57 3vhb h TYR 29 N 0.27 0.54 -0.35 0.41 0.05 -1.07 -0.30 116.97 116.51 3vhb h TYR 29 Ca 0.24 -0.16 -0.05 0.00 0.05 0.00 0.00 58.73 58.80 3vhb h TYR 29 Cb 0.30 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 3vhb h TYR 29 CO -0.20 0.82 0.02 -0.22 -1.05 0.00 0.00 178.16 177.53 3vhb h LYS 30 N 0.36 0.61 -0.11 4.88 3.64 -1.45 -1.88 116.57 122.62 3vhb h LYS 30 Ca 0.02 -0.19 -0.18 0.00 -1.27 0.00 0.00 60.65 59.03 3vhb h LYS 30 Cb 0.94 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.70 3vhb h LYS 30 CO 0.08 0.72 -0.69 -0.91 -2.27 0.00 0.00 179.45 176.37 3vhb h ASN 31 N 0.43 0.58 0.64 4.20 2.35 -1.37 0.99 115.58 123.40 3vhb h ASN 31 Ca 0.10 -0.36 -0.03 0.00 -0.55 0.00 0.00 56.30 55.46 3vhb h ASN 31 Cb 0.43 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.64 3vhb h ASN 31 CO 0.02 1.10 -0.31 0.25 -1.65 0.00 0.00 177.43 176.84 3vhb h LEU 32 N 0.35 -0.73 -0.84 1.61 5.85 -0.92 -1.53 115.31 119.10 3vhb h LEU 32 Ca -0.02 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3vhb h LEU 32 Cb 1.27 0.19 -0.04 0.00 0.37 0.00 0.00 40.66 42.45 3vhb h LEU 32 CO 0.13 -0.40 0.46 -0.26 -0.34 0.00 0.00 178.44 178.03 3vhb h PHE 33 N -1.06 1.14 0.62 1.25 0.04 -1.39 -1.22 116.94 116.32 3vhb h PHE 33 Ca -0.09 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.63 3vhb h PHE 33 Cb 0.70 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 38.49 3vhb h PHE 33 CO -0.00 0.79 -0.32 0.00 -0.60 0.00 0.00 178.31 178.18 3vhb h ALA 34 N 1.25 -1.21 0.00 2.45 0.00 -0.85 -3.23 119.26 117.67 3vhb h ALA 34 Ca 0.30 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3vhb h ALA 34 Cb 0.02 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3vhb h ALA 34 CO -0.05 -1.16 0.00 1.63 0.00 0.00 0.00 179.25 179.67 3vhb n LYS 35 N -4.38 0.19 -3.19 0.00 5.02 -0.58 -4.26 118.16 110.96 3vhb n LYS 35 Ca -0.11 0.06 -0.18 0.00 -2.02 0.00 0.00 58.31 56.06 3vhb n LYS 35 Cb 0.34 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 3vhb n LYS 35 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3vhb n HIS 36 N -1.39 0.22 -0.48 2.13 8.25 -0.47 -4.96 115.22 118.51 3vhb n HIS 36 Ca 0.09 -3.81 0.40 0.00 -0.26 0.00 0.00 57.72 54.13 3vhb n HIS 36 Cb 0.25 -0.42 0.69 0.00 1.12 0.00 0.00 29.99 31.62 3vhb n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3vhb h PRO 37 N 3.03 0.07 0.00 -0.41 0.11 -1.73 -2.14 132.00 130.93 3vhb h PRO 37 Ca 0.10 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 3vhb h PRO 37 Cb 0.96 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 3vhb h PRO 37 CO 0.50 0.04 -0.03 1.05 -0.21 0.00 0.00 178.00 179.35 3vhb h GLU 38 N 0.07 0.00 0.00 1.05 9.09 -1.93 -2.08 114.58 120.79 3vhb h GLU 38 Ca 0.82 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.23 3vhb h GLU 38 Cb 2.76 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.86 3vhb h GLU 38 CO -0.31 0.03 -1.14 1.33 0.05 0.00 0.00 179.01 178.97 3vhb n VAL 39 N -3.36 0.24 -0.29 -1.06 0.24 -0.80 -4.02 118.33 109.28 3vhb n VAL 39 Ca -0.02 -0.34 0.13 0.00 -2.04 0.00 0.00 64.34 62.07 3vhb n VAL 39 Cb 0.16 0.07 0.38 0.00 -1.47 0.00 0.00 33.84 32.98 3vhb n VAL 39 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3vhb h ARG 40 N 0.00 0.66 0.00 7.34 3.08 -1.43 0.26 114.38 124.29 3vhb h ARG 40 Ca 0.00 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 3vhb h ARG 40 Cb 0.82 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 3vhb h ARG 40 CO 0.00 0.44 -0.16 -1.35 -1.07 0.00 0.00 179.97 177.83 3vhb h PRO 41 N 0.68 0.00 0.00 0.04 0.11 -1.72 -1.74 132.00 129.37 3vhb h PRO 41 Ca 0.48 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.53 3vhb h PRO 41 Cb 0.82 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 3vhb h PRO 41 CO -0.24 0.16 -0.32 -0.07 -0.21 0.00 0.00 178.00 177.32 3vhb h LEU 42 N 0.00 0.00 0.00 2.35 3.38 -0.72 -3.53 115.31 116.79 3vhb h LEU 42 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3vhb h LEU 42 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3vhb h LEU 42 CO 0.02 0.32 0.00 0.49 0.09 0.00 0.00 178.44 179.36 3vhb n PHE 43 N -4.00 0.00 0.00 1.13 3.01 -0.66 -4.97 117.46 111.98 3vhb n PHE 43 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 3vhb n PHE 43 Cb 0.37 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.84 3vhb n PHE 43 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 3vhb n GLN 53 N 0.00 0.00 -1.02 -1.08 7.27 -1.26 -4.97 117.38 116.33 3vhb n GLN 53 Ca 0.00 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 56.81 3vhb n GLN 53 Cb 0.00 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 32.54 3vhb n GLN 53 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 3vhb n PRO 54 N 0.00 0.00 0.25 3.69 -0.05 -1.26 -4.83 135.00 132.80 3vhb n PRO 54 Ca 0.00 0.00 0.07 0.00 -0.05 0.00 0.00 63.50 63.52 3vhb n PRO 54 Cb 0.00 -0.96 0.60 0.00 -0.05 0.00 0.00 33.50 33.09 3vhb n PRO 54 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 175.50 176.32 3vhb h LYS 55 N 8.02 0.00 -0.36 0.54 1.79 -2.06 -3.19 116.57 121.31 3vhb h LYS 55 Ca -0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3vhb h LYS 55 Cb 0.87 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 3vhb h LYS 55 CO 0.97 0.09 0.00 0.00 -1.08 0.00 0.00 179.45 179.43 3vhb n ALA 56 N -2.50 2.55 -0.02 3.86 0.00 -1.26 -4.38 120.51 118.76 3vhb n ALA 56 Ca -0.03 -0.48 -0.09 0.00 0.00 0.00 0.00 53.44 52.84 3vhb n ALA 56 Cb 0.16 -0.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 3vhb n ALA 56 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3vhb h LEU 57 N 1.47 -0.32 -0.35 0.00 7.12 -1.96 0.22 115.31 121.50 3vhb h LEU 57 Ca 0.00 0.07 -0.17 0.00 0.13 0.00 0.00 57.88 57.91 3vhb h LEU 57 Cb 0.46 0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 40.75 3vhb h LEU 57 CO 0.03 -0.13 -0.44 0.00 -0.13 0.00 0.00 178.44 177.76 3vhb h ALA 58 N 1.04 0.52 -0.28 1.25 0.00 -1.89 -1.66 119.26 118.24 3vhb h ALA 58 Ca 0.09 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 3vhb h ALA 58 Cb 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3vhb h ALA 58 CO -0.22 0.67 -0.07 0.00 0.00 0.00 0.00 179.25 179.63 3vhb h MET 59 N 0.73 0.55 -0.18 0.00 -0.00 -1.82 0.16 114.93 114.37 3vhb h MET 59 Ca 0.04 -0.21 0.04 0.00 -0.00 0.00 0.00 59.70 59.57 3vhb h MET 59 Cb 1.05 -0.03 -0.04 0.00 -0.00 0.00 0.00 31.60 32.57 3vhb h MET 59 CO 0.11 0.75 -0.10 1.15 -0.00 0.00 0.00 176.91 178.82 3vhb h THR 60 N 0.31 0.69 -0.53 -0.10 2.02 -0.47 0.78 112.91 115.61 3vhb h THR 60 Ca 0.07 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.28 3vhb h THR 60 Cb 0.55 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 3vhb h THR 60 CO 0.03 0.00 0.31 0.58 0.37 0.00 0.00 175.52 176.81 3vhb h VAL 61 N -0.09 1.04 -0.63 3.16 2.07 -1.11 0.87 116.25 121.55 3vhb h VAL 61 Ca 0.10 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3vhb h VAL 61 Cb 0.24 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 3vhb h VAL 61 CO -0.24 0.11 0.41 -0.07 0.02 0.00 0.00 177.57 177.81 3vhb h LEU 62 N 0.61 0.73 -1.29 2.57 3.38 0.03 0.86 115.31 122.21 3vhb h LEU 62 Ca 0.22 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3vhb h LEU 62 Cb 0.05 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3vhb h LEU 62 CO -0.11 0.54 0.20 0.00 0.09 0.00 0.00 178.44 179.16 3vhb h ALA 63 N 1.22 1.44 -0.05 1.53 0.00 0.14 -1.81 119.26 121.75 3vhb h ALA 63 Ca 0.23 -0.13 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 3vhb h ALA 63 Cb -0.09 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3vhb h ALA 63 CO -0.05 0.43 -0.88 0.00 0.00 0.00 0.00 179.25 178.76 3vhb h ALA 64 N 1.53 0.38 -0.58 0.00 0.00 -0.20 -3.06 119.26 117.33 3vhb h ALA 64 Ca 0.17 -0.66 0.04 0.00 0.00 0.00 0.00 54.91 54.46 3vhb h ALA 64 Cb 0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3vhb h ALA 64 CO -0.02 0.76 0.38 0.00 0.00 0.00 0.00 179.25 180.38 3vhb h ALA 65 N 0.71 1.74 0.00 0.00 0.00 -0.05 -1.52 119.26 120.14 3vhb h ALA 65 Ca -0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3vhb h ALA 65 Cb 1.50 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3vhb h ALA 65 CO 0.16 0.19 -0.37 0.37 0.00 0.00 0.00 179.25 179.60 3vhb h GLN 66 N 0.64 0.00 -0.76 0.00 4.15 -1.27 -2.36 115.11 115.50 3vhb h GLN 66 Ca 0.24 0.00 -0.41 0.00 0.77 0.00 0.00 58.65 59.24 3vhb h GLN 66 Cb 0.15 0.00 -0.24 0.00 0.21 0.00 0.00 27.48 27.60 3vhb h GLN 66 CO -0.07 0.37 0.36 0.09 -1.93 0.00 0.00 178.83 177.66 3vhb n ASN 67 N -3.80 3.65 0.04 -0.69 4.13 -0.59 -4.70 115.26 113.31 3vhb n ASN 67 Ca -0.01 -3.70 0.07 0.00 1.68 0.00 0.00 54.58 52.62 3vhb n ASN 67 Cb 0.44 -0.76 0.31 0.00 -1.54 0.00 0.00 39.78 38.23 3vhb n ASN 67 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3vhb n ILE 68 N -1.11 1.16 1.00 2.41 0.13 -0.89 -1.15 119.36 120.91 3vhb n ILE 68 Ca 0.50 0.33 0.11 0.00 -1.10 0.00 0.00 62.75 62.59 3vhb n ILE 68 Cb 1.34 -1.19 -0.06 0.00 -0.84 0.00 0.00 39.64 38.89 3vhb n ILE 68 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 3vhb n GLU 69 N -1.72 0.65 -3.04 9.51 1.02 -1.26 -4.53 120.64 121.27 3vhb n GLU 69 Ca 0.02 -0.54 -0.15 0.00 -0.02 0.00 0.00 57.16 56.47 3vhb n GLU 69 Cb 0.14 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 3vhb n GLU 69 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3vhb n ASN 70 N -0.70 0.09 0.09 1.62 4.05 -0.30 -4.98 115.26 115.12 3vhb n ASN 70 Ca 0.07 -3.13 0.19 0.00 0.45 0.00 0.00 54.58 52.16 3vhb n ASN 70 Cb 0.41 0.00 0.74 0.00 1.23 0.00 0.00 39.78 42.16 3vhb n ASN 70 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 3vhb h LEU 71 N 2.98 0.00 -1.51 1.20 3.38 -1.61 -0.31 115.31 119.44 3vhb h LEU 71 Ca 0.03 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.15 3vhb h LEU 71 Cb 1.02 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 3vhb h LEU 71 CO 0.40 0.00 0.52 -0.65 0.09 0.00 0.00 178.44 178.80 3vhb h PRO 72 N 0.00 0.47 -0.84 1.13 0.11 -1.94 -0.19 132.00 130.75 3vhb h PRO 72 Ca 0.19 -0.03 0.24 0.00 0.11 0.00 0.00 66.00 66.51 3vhb h PRO 72 Cb 0.88 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.85 3vhb h PRO 72 CO -0.00 0.31 0.60 0.00 -0.21 0.00 0.00 178.00 178.71 3vhb h ALA 73 N 1.63 2.79 -0.01 -0.75 0.00 -1.40 -1.37 119.26 120.16 3vhb h ALA 73 Ca 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3vhb h ALA 73 Cb 0.80 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3vhb h ALA 73 CO -0.14 -1.03 -0.25 0.44 0.00 0.00 0.00 179.25 178.27 3vhb n ILE 74 N -4.29 0.00 -0.32 0.00 -5.35 -0.08 -4.37 119.36 104.95 3vhb n ILE 74 Ca 0.17 -0.12 0.21 0.00 -0.27 0.00 0.00 62.75 62.74 3vhb n ILE 74 Cb 0.91 0.37 0.47 0.00 -1.74 0.00 0.00 39.64 39.64 3vhb n ILE 74 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3vhb h LEU 75 N 1.14 0.51 -1.08 7.28 3.38 -1.33 0.37 115.31 125.58 3vhb h LEU 75 Ca 0.00 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3vhb h LEU 75 Cb 0.50 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3vhb h LEU 75 CO 0.00 0.12 0.24 -0.65 0.09 0.00 0.00 178.44 178.23 3vhb h PRO 76 N 0.46 0.89 0.13 1.13 0.11 -1.81 0.29 132.00 133.20 3vhb h PRO 76 Ca 0.59 -0.14 -0.20 0.00 0.11 0.00 0.00 66.00 66.35 3vhb h PRO 76 Cb 1.38 -0.15 0.02 0.00 0.11 0.00 0.00 31.00 32.35 3vhb h PRO 76 CO -0.32 0.73 -0.88 0.00 -0.21 0.00 0.00 178.00 177.32 3vhb h ALA 77 N 1.39 -0.07 -0.79 -0.75 0.00 -1.54 -2.76 119.26 114.73 3vhb h ALA 77 Ca 0.21 -0.70 0.11 0.00 0.00 0.00 0.00 54.91 54.52 3vhb h ALA 77 Cb 0.18 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 3vhb h ALA 77 CO -0.02 0.42 0.42 0.28 0.00 0.00 0.00 179.25 180.35 3vhb h VAL 78 N -0.24 0.83 0.00 0.00 2.07 -0.87 -0.97 116.25 117.08 3vhb h VAL 78 Ca -0.15 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 3vhb h VAL 78 Cb 1.67 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 3vhb h VAL 78 CO 0.17 0.12 -0.16 0.11 0.02 0.00 0.00 177.57 177.83 3vhb h LYS 79 N 0.67 0.00 0.22 1.57 1.57 -0.38 -2.21 116.57 118.00 3vhb h LYS 79 Ca 0.40 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.86 3vhb h LYS 79 Cb 0.45 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.79 3vhb h LYS 79 CO -0.29 0.16 -1.41 -0.22 -0.57 0.00 0.00 179.45 177.12 3vhb h LYS 80 N 0.00 0.47 -0.11 3.15 1.63 -0.90 -3.31 116.57 117.50 3vhb h LYS 80 Ca -0.00 -0.80 -0.01 0.00 -0.85 0.00 0.00 60.65 58.99 3vhb h LYS 80 Cb 0.68 0.30 -0.00 0.00 -0.60 0.00 0.00 32.23 32.60 3vhb h LYS 80 CO 0.02 1.38 0.03 0.82 -3.45 0.00 0.00 179.45 178.25 3vhb h ILE 81 N 0.13 1.19 -0.97 2.00 2.04 -1.37 -3.24 117.51 117.29 3vhb h ILE 81 Ca -0.22 -0.59 0.28 0.00 1.00 0.00 0.00 64.86 65.33 3vhb h ILE 81 Cb 2.11 1.38 -0.14 0.00 -0.74 0.00 0.00 36.82 39.43 3vhb h ILE 81 CO 0.26 0.17 0.50 0.00 0.00 0.00 0.00 178.15 179.07 3vhb h ALA 82 N 0.82 1.75 -0.77 1.87 0.00 -1.49 0.34 119.26 121.79 3vhb h ALA 82 Ca 0.03 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3vhb h ALA 82 Cb 0.24 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3vhb h ALA 82 CO 0.00 -0.48 0.31 0.28 0.00 0.00 0.00 179.25 179.37 3vhb h VAL 83 N 0.36 1.26 -0.16 0.00 2.07 -1.66 0.26 116.25 118.37 3vhb h VAL 83 Ca 0.67 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 3vhb h VAL 83 Cb 1.43 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3vhb h VAL 83 CO -0.59 0.32 0.03 0.11 0.02 0.00 0.00 177.57 177.47 3vhb h LYS 84 N 1.10 0.26 -0.29 1.57 1.57 -0.49 0.36 116.57 120.66 3vhb h LYS 84 Ca 0.26 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 59.02 3vhb h LYS 84 Cb 0.20 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 3vhb h LYS 84 CO -0.02 0.42 0.02 0.45 -0.57 0.00 0.00 179.45 179.75 3vhb h HIS 85 N 0.05 0.02 -0.38 -1.35 3.86 -0.90 -0.08 115.15 116.38 3vhb h HIS 85 Ca 0.05 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.18 3vhb h HIS 85 Cb 0.28 0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.77 3vhb h HIS 85 CO 0.01 -0.03 -0.16 0.00 0.86 0.00 0.00 177.93 178.62 3vhb h GLN 87 N 0.62 0.00 -0.15 0.00 4.20 0.02 -2.77 115.11 117.03 3vhb h GLN 87 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3vhb h GLN 87 Cb 0.62 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.40 3vhb h GLN 87 CO 0.04 0.20 0.00 0.00 -0.67 0.00 0.00 178.83 178.40 3vhb n ALA 88 N -2.37 2.49 -1.78 3.87 0.00 -0.13 -4.96 120.51 117.63 3vhb n ALA 88 Ca -0.02 -0.68 -0.00 0.00 0.00 0.00 0.00 53.44 52.73 3vhb n ALA 88 Cb 0.29 -0.96 -0.00 0.00 0.00 0.00 0.00 19.45 18.78 3vhb n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3vhb n GLY 89 N 1.31 0.37 3.75 0.00 0.00 -0.73 -4.84 105.19 105.04 3vhb n GLY 89 Ca 0.17 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 3vhb n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3vhb s VAL 90 N -2.02 2.97 0.03 1.61 1.01 -0.04 -5.01 120.40 118.95 3vhb s VAL 90 Ca 0.00 0.86 0.06 0.00 0.00 0.00 0.00 61.98 62.90 3vhb s VAL 90 Cb 0.00 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 3vhb s VAL 90 CO 0.00 0.16 -0.17 0.00 0.00 0.00 0.00 175.10 175.08 3vhb s ALA 91 N -0.35 1.45 0.57 5.51 0.00 -1.26 -4.76 121.76 122.91 3vhb s ALA 91 Ca 0.54 -0.90 0.38 0.00 0.00 0.00 0.00 51.96 51.98 3vhb s ALA 91 Cb -0.38 -0.28 1.48 0.00 0.00 0.00 0.00 23.12 23.94 3vhb s ALA 91 CO 0.44 0.31 1.66 0.00 0.00 0.00 0.00 175.76 178.17 3vhb h ALA 92 N 5.04 3.18 0.00 0.00 0.00 -1.95 0.31 119.26 125.84 3vhb h ALA 92 Ca -0.40 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3vhb h ALA 92 Cb 1.17 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3vhb h ALA 92 CO 0.45 -1.69 -0.10 0.00 0.00 0.00 0.00 179.25 177.90 3vhb h ALA 93 N 1.14 0.96 0.00 0.00 0.00 -2.00 -2.40 119.26 116.95 3vhb h ALA 93 Ca 0.61 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.36 3vhb h ALA 93 Cb 2.67 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 20.43 3vhb h ALA 93 CO -0.01 0.12 -0.32 0.45 0.00 0.00 0.00 179.25 179.50 3vhb h HIS 94 N 0.00 0.00 -0.74 0.00 -0.00 -0.78 -3.33 115.15 110.30 3vhb h HIS 94 Ca -0.00 0.00 0.14 0.00 -0.00 0.00 0.00 60.37 60.51 3vhb h HIS 94 Cb 0.86 0.00 -0.09 0.00 -0.00 0.00 0.00 27.41 28.17 3vhb h HIS 94 CO 0.00 0.32 0.28 1.88 -0.00 0.00 0.00 177.93 180.41 3vhb h TYR 95 N 0.00 0.48 -0.84 2.45 -1.99 -1.46 -2.80 116.97 112.81 3vhb h TYR 95 Ca -0.00 0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.76 3vhb h TYR 95 Cb 0.91 -0.10 -0.04 0.00 2.00 0.00 0.00 36.73 39.50 3vhb h TYR 95 CO 0.00 0.05 0.53 -1.35 -0.00 0.00 0.00 178.16 177.39 3vhb h PRO 96 N 0.42 1.12 -0.04 4.88 0.11 -1.76 -1.00 132.00 135.73 3vhb h PRO 96 Ca 0.40 -0.08 -0.17 0.00 0.11 0.00 0.00 66.00 66.26 3vhb h PRO 96 Cb 0.61 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 3vhb h PRO 96 CO -0.41 0.77 -0.74 -0.84 -0.21 0.00 0.00 178.00 176.57 3vhb h ILE 97 N 1.15 1.43 -0.28 4.15 -2.65 -1.72 0.70 117.51 120.29 3vhb h ILE 97 Ca 0.30 -2.27 -0.02 0.00 1.03 0.00 0.00 64.86 63.91 3vhb h ILE 97 Cb -0.09 2.21 -0.01 0.00 -2.05 0.00 0.00 36.82 36.88 3vhb h ILE 97 CO -0.06 0.67 0.08 0.58 0.03 0.00 0.00 178.15 179.45 3vhb h VAL 98 N 0.17 1.20 -0.55 0.16 2.07 -1.39 -1.19 116.25 116.72 3vhb h VAL 98 Ca -0.03 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 66.85 3vhb h VAL 98 Cb 1.31 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 3vhb h VAL 98 CO 0.12 0.22 0.35 1.23 0.02 0.00 0.00 177.57 179.50 3vhb h GLY 99 N 0.29 0.78 0.98 2.17 0.00 -1.00 0.72 103.07 107.01 3vhb h GLY 99 Ca 0.09 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.16 3vhb h GLY 99 CO -0.00 0.25 0.41 -1.61 0.00 0.00 0.00 176.54 175.59 3vhb h GLN 100 N 0.70 0.81 -0.28 4.80 4.15 -0.68 -0.43 115.11 124.18 3vhb h GLN 100 Ca 0.21 -0.05 -0.14 0.00 0.77 0.00 0.00 58.65 59.45 3vhb h GLN 100 Cb -0.03 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.47 3vhb h GLN 100 CO -0.07 0.54 -0.39 0.93 -1.93 0.00 0.00 178.83 177.90 3vhb h GLU 101 N 0.84 0.67 0.55 1.69 4.39 -0.65 -2.17 114.58 119.89 3vhb h GLU 101 Ca 0.23 -0.34 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 3vhb h GLU 101 Cb -0.08 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 28.58 3vhb h GLU 101 CO -0.06 0.95 -0.26 1.25 -1.16 0.00 0.00 179.01 179.72 3vhb h LEU 102 N 0.55 -0.62 -2.07 1.33 5.85 -0.53 -1.71 115.31 118.10 3vhb h LEU 102 Ca 0.05 -0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.81 3vhb h LEU 102 Cb 0.92 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 3vhb h LEU 102 CO 0.08 -0.32 0.25 -0.07 -0.34 0.00 0.00 178.44 178.04 3vhb h LEU 103 N -0.92 0.00 -0.16 2.25 -0.00 -1.14 0.49 115.31 115.83 3vhb h LEU 103 Ca -0.08 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.70 3vhb h LEU 103 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.29 3vhb h LEU 103 CO 0.12 0.00 -0.31 1.23 -0.00 0.00 0.00 178.44 179.49 3vhb h GLY 104 N 0.00 0.54 0.92 0.83 0.00 -1.02 -1.16 103.07 103.19 3vhb h GLY 104 Ca 0.15 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 3vhb h GLY 104 CO -0.00 0.57 -0.02 0.00 0.00 0.00 0.00 176.54 177.08 3vhb h ALA 105 N 0.57 -0.06 -0.77 3.60 0.00 -0.33 0.24 119.26 122.51 3vhb h ALA 105 Ca 0.01 -0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.04 3vhb h ALA 105 Cb 0.90 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.59 3vhb h ALA 105 CO 0.07 -0.49 0.18 0.82 0.00 0.00 0.00 179.25 179.83 3vhb h ILE 106 N -0.13 0.46 -0.28 0.00 2.04 -0.94 0.20 117.51 118.86 3vhb h ILE 106 Ca -0.01 -0.09 -0.09 0.00 1.00 0.00 0.00 64.86 65.68 3vhb h ILE 106 Cb 0.12 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 3vhb h ILE 106 CO 0.01 0.05 -0.17 0.50 0.00 0.00 0.00 178.15 178.53 3vhb h LYS 107 N 0.25 0.61 -0.84 2.37 3.64 -0.48 0.07 116.57 122.20 3vhb h LYS 107 Ca 0.44 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3vhb h LYS 107 Cb 0.79 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.56 3vhb h LYS 107 CO -0.55 0.87 0.52 0.93 -2.27 0.00 0.00 179.45 178.95 3vhb h GLU 108 N 0.34 1.13 0.01 1.90 5.08 0.13 -3.13 114.58 120.03 3vhb h GLU 108 Ca 0.06 -0.09 -0.29 0.00 -1.00 0.00 0.00 59.36 58.04 3vhb h GLU 108 Cb 0.71 -0.24 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 3vhb h GLU 108 CO 0.05 0.77 -1.67 -0.39 -1.00 0.00 0.00 179.01 176.77 3vhb h VAL 109 N 1.15 0.89 -0.26 3.13 -1.51 -0.51 -3.35 116.25 115.79 3vhb h VAL 109 Ca 0.30 -2.73 0.05 0.00 -1.23 0.00 0.00 66.70 63.09 3vhb h VAL 109 Cb -0.08 2.45 -0.04 0.00 -2.13 0.00 0.00 31.29 31.49 3vhb h VAL 109 CO -0.06 0.53 -0.02 -0.07 -1.23 0.00 0.00 177.57 176.72 3vhb h LEU 110 N 0.00 -0.14 0.00 4.19 3.38 -1.00 -3.47 115.31 118.27 3vhb h LEU 110 Ca -0.27 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3vhb h LEU 110 Cb 2.00 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.87 3vhb h LEU 110 CO 0.08 -0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.19 3vhb n GLY 111 N -1.21 1.39 0.22 0.83 0.00 -1.18 -3.99 105.19 101.24 3vhb n GLY 111 Ca -0.01 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 3vhb n GLY 111 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3vhb h ASP 112 N 0.00 0.73 0.68 1.61 3.32 -1.91 -2.89 116.42 117.95 3vhb h ASP 112 Ca 0.00 -0.40 -0.02 0.00 0.02 0.00 0.00 57.03 56.63 3vhb h ASP 112 Cb 0.00 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 3vhb h ASP 112 CO 0.00 1.14 -0.09 0.00 -1.72 0.00 0.00 179.24 178.57 3vhb h ALA 113 N 0.87 1.09 0.00 3.45 0.00 -1.97 -3.32 119.26 119.37 3vhb h ALA 113 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3vhb h ALA 113 Cb 1.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3vhb h ALA 113 CO 0.11 0.11 0.91 0.00 0.00 0.00 0.00 179.25 180.38 3vhb n ALA 114 N -2.18 0.97 -1.44 0.00 0.00 -1.09 -4.83 120.51 111.94 3vhb n ALA 114 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.13 3vhb n ALA 114 Cb 0.29 -2.39 0.09 0.00 0.00 0.00 0.00 19.45 17.44 3vhb n ALA 114 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3vhb s THR 115 N 4.62 3.32 0.16 0.00 -4.23 -1.25 -4.83 115.64 113.43 3vhb s THR 115 Ca 0.00 0.43 -0.21 0.00 -1.18 0.00 0.00 61.69 60.73 3vhb s THR 115 Cb 0.00 -3.08 0.07 0.00 1.34 0.00 0.00 72.50 70.83 3vhb s THR 115 CO 0.00 -0.56 1.62 0.44 -0.54 0.00 0.00 174.62 175.58 3vhb h ASP 116 N -1.07 -0.82 1.00 3.99 5.19 -1.94 -1.66 116.42 121.11 3vhb h ASP 116 Ca -0.46 0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.11 3vhb h ASP 116 Cb 1.25 0.40 0.00 0.00 0.18 0.00 0.00 39.33 41.16 3vhb h ASP 116 CO 0.56 -0.27 0.00 0.44 -3.12 0.00 0.00 179.24 176.85 3vhb h ASP 117 N -0.21 0.00 0.23 6.45 5.19 -1.96 -1.95 116.42 124.17 3vhb h ASP 117 Ca 0.17 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.27 3vhb h ASP 117 Cb 0.47 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.01 3vhb h ASP 117 CO -0.46 0.00 -1.41 0.40 -3.12 0.00 0.00 179.24 174.64 3vhb h ILE 118 N 0.00 1.26 -0.03 0.35 2.04 -1.67 -2.75 117.51 116.71 3vhb h ILE 118 Ca 0.00 -2.64 -0.00 0.00 1.00 0.00 0.00 64.86 63.22 3vhb h ILE 118 Cb 0.50 3.03 -0.00 0.00 -0.74 0.00 0.00 36.82 39.61 3vhb h ILE 118 CO 0.00 0.80 0.01 -0.07 0.00 0.00 0.00 178.15 178.88 3vhb h LEU 119 N 0.05 0.05 -0.33 1.44 3.38 -1.26 -2.17 115.31 116.46 3vhb h LEU 119 Ca -0.25 -0.25 0.07 0.00 0.09 0.00 0.00 57.88 57.54 3vhb h LEU 119 Cb 2.07 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 42.74 3vhb h LEU 119 CO 0.24 0.28 -0.14 0.44 0.09 0.00 0.00 178.44 179.35 3vhb h ASP 120 N -0.19 -0.48 -0.36 -0.43 3.32 -1.44 0.26 116.42 117.11 3vhb h ASP 120 Ca 0.01 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 3vhb h ASP 120 Cb 0.25 0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 3vhb h ASP 120 CO 0.00 -0.17 0.22 0.00 -1.72 0.00 0.00 179.24 177.56 3vhb h ALA 121 N 1.19 1.69 -0.02 3.45 0.00 -1.38 0.27 119.26 124.46 3vhb h ALA 121 Ca 0.17 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 3vhb h ALA 121 Cb 0.33 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3vhb h ALA 121 CO -0.38 0.28 -0.68 -1.49 0.00 0.00 0.00 179.25 176.97 3vhb h TRP 122 N 0.51 0.14 -0.17 0.00 4.06 -0.43 -1.36 115.95 118.70 3vhb h TRP 122 Ca 0.13 -0.06 -0.02 0.00 2.06 0.00 0.00 58.89 61.00 3vhb h TRP 122 Cb -0.01 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.12 3vhb h TRP 122 CO 0.00 0.75 0.03 0.78 -3.56 0.00 0.00 178.44 176.45 3vhb h GLY 123 N 1.82 0.29 0.96 1.49 0.00 0.13 -1.22 103.07 106.54 3vhb h GLY 123 Ca -0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 3vhb h GLY 123 CO 0.10 0.17 0.18 0.50 0.00 0.00 0.00 176.54 177.50 3vhb h LYS 124 N 0.07 0.68 -0.47 4.80 1.57 -0.33 -2.85 116.57 120.04 3vhb h LYS 124 Ca 0.05 -0.12 0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3vhb h LYS 124 Cb 0.28 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 3vhb h LYS 124 CO 0.00 0.62 0.23 0.00 -0.57 0.00 0.00 179.45 179.73 3vhb h ALA 125 N 1.03 0.59 -0.40 3.86 0.00 -1.12 -1.67 119.26 121.55 3vhb h ALA 125 Ca 0.15 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3vhb h ALA 125 Cb 0.19 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3vhb h ALA 125 CO -0.01 -0.13 0.20 -0.92 0.00 0.00 0.00 179.25 178.38 3vhb h TYR 126 N 0.45 0.58 -0.37 0.00 3.20 -1.17 0.56 116.97 120.22 3vhb h TYR 126 Ca 0.21 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.10 3vhb h TYR 126 Cb 0.13 -0.18 -0.08 0.00 1.54 0.00 0.00 36.73 38.14 3vhb h TYR 126 CO -0.11 0.48 -0.52 0.78 -1.64 0.00 0.00 178.16 177.15 3vhb h GLY 127 N 0.51 -0.89 0.82 1.82 0.00 -1.20 2.32 103.07 106.47 3vhb h GLY 127 Ca 0.14 0.66 0.04 0.00 0.00 0.00 0.00 47.33 48.17 3vhb h GLY 127 CO -0.02 -0.15 0.47 -2.08 0.00 0.00 0.00 176.54 174.76 3vhb h VAL 128 N -0.41 1.08 -0.31 4.60 2.07 -1.10 -0.39 116.25 121.79 3vhb h VAL 128 Ca 0.09 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3vhb h VAL 128 Cb 0.61 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3vhb h VAL 128 CO -0.57 0.16 0.12 0.40 0.02 0.00 0.00 177.57 177.70 3vhb h ILE 129 N 0.90 1.19 -0.94 4.57 2.04 0.15 -3.02 117.51 122.41 3vhb h ILE 129 Ca 0.31 -0.59 0.06 0.00 1.00 0.00 0.00 64.86 65.64 3vhb h ILE 129 Cb 0.06 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 3vhb h ILE 129 CO -0.13 0.20 0.61 0.00 0.00 0.00 0.00 178.15 178.83 3vhb h ALA 130 N 0.96 1.46 -0.07 1.87 0.00 0.51 -2.34 119.26 121.65 3vhb h ALA 130 Ca 0.10 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3vhb h ALA 130 Cb 0.20 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3vhb h ALA 130 CO -0.01 0.41 0.11 -0.44 0.00 0.00 0.00 179.25 179.33 3vhb h ASP 131 N 1.10 0.00 0.01 0.00 3.32 -0.99 0.50 116.42 120.36 3vhb h ASP 131 Ca 0.40 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.43 3vhb h ASP 131 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3vhb h ASP 131 CO -0.14 0.00 -0.07 0.58 -1.72 0.00 0.00 179.24 177.89 3vhb h VAL 132 N 0.00 1.70 -0.24 -1.35 2.07 -1.44 -1.83 116.25 115.17 3vhb h VAL 132 Ca 0.03 -2.16 -0.02 0.00 0.82 0.00 0.00 66.70 65.37 3vhb h VAL 132 Cb 0.26 3.16 -0.01 0.00 -1.52 0.00 0.00 31.29 33.18 3vhb h VAL 132 CO -0.00 0.57 0.07 -0.26 0.02 0.00 0.00 177.57 177.97 3vhb h PHE 133 N -0.85 0.39 -0.15 1.57 -1.00 -1.37 -1.71 116.94 113.82 3vhb h PHE 133 Ca -0.01 -0.04 0.04 0.00 2.81 0.00 0.00 57.97 60.77 3vhb h PHE 133 Cb 0.97 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 40.41 3vhb h PHE 133 CO 0.24 0.45 0.21 0.82 -1.61 0.00 0.00 178.31 178.42 3vhb h ILE 134 N 0.22 0.35 0.08 -0.55 2.04 -0.10 0.08 117.51 119.63 3vhb h ILE 134 Ca 0.08 0.00 -0.35 0.00 1.00 0.00 0.00 64.86 65.59 3vhb h ILE 134 Cb 0.25 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3vhb h ILE 134 CO -0.00 0.00 -1.94 1.67 0.00 0.00 0.00 178.15 177.88 3vhb n GLN 135 N -3.60 0.70 -0.12 2.37 -0.06 -0.69 -3.43 117.38 112.55 3vhb n GLN 135 Ca 0.01 0.31 -0.08 0.00 -2.00 0.00 0.00 57.00 55.24 3vhb n GLN 135 Cb 0.32 -1.68 0.00 0.00 -4.06 0.00 0.00 30.24 24.82 3vhb n GLN 135 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3vhb h VAL 136 N -0.22 1.10 -0.59 1.69 2.07 -1.02 -1.16 116.25 118.13 3vhb h VAL 136 Ca -0.45 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 66.80 3vhb h VAL 136 Cb 1.84 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 3vhb h VAL 136 CO -0.03 0.10 0.01 -0.33 0.02 0.00 0.00 177.57 177.35 3vhb h GLU 137 N 0.53 1.03 -0.27 1.57 5.08 -1.15 0.31 114.58 121.68 3vhb h GLU 137 Ca 0.14 -0.32 0.06 0.00 -1.00 0.00 0.00 59.36 58.24 3vhb h GLU 137 Cb -0.06 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.01 3vhb h GLU 137 CO -0.03 1.01 -0.41 0.00 -1.00 0.00 0.00 179.01 178.58 3vhb h ALA 138 N 0.98 -0.47 -0.89 3.43 0.00 -1.54 2.11 119.26 122.88 3vhb h ALA 138 Ca 0.17 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.16 3vhb h ALA 138 Cb 0.54 0.81 -0.06 0.00 0.00 0.00 0.00 17.79 19.08 3vhb h ALA 138 CO 0.03 -0.87 0.57 -0.44 0.00 0.00 0.00 179.25 178.54 3vhb h ASP 139 N -0.39 0.93 -0.29 0.00 3.32 -0.88 0.71 116.42 119.82 3vhb h ASP 139 Ca 0.11 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 3vhb h ASP 139 Cb 0.59 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 3vhb h ASP 139 CO -0.48 0.62 0.16 -0.07 -1.72 0.00 0.00 179.24 177.76 3vhb h LEU 140 N 1.08 0.36 -0.02 1.55 -0.00 0.21 0.41 115.31 118.90 3vhb h LEU 140 Ca 0.37 -0.07 -0.00 0.00 -0.00 0.00 0.00 57.88 58.17 3vhb h LEU 140 Cb 0.07 -0.09 -0.00 0.00 -0.00 0.00 0.00 40.66 40.64 3vhb h LEU 140 CO -0.14 0.33 0.00 1.88 -0.00 0.00 0.00 178.44 180.51 3vhb h TYR 141 N 0.36 0.03 -0.90 1.13 0.05 0.45 -1.77 116.97 116.32 3vhb h TYR 141 Ca 0.10 -0.00 0.19 0.00 0.05 0.00 0.00 58.73 59.07 3vhb h TYR 141 Cb 0.05 -0.01 -0.11 0.00 1.01 0.00 0.00 36.73 37.66 3vhb h TYR 141 CO -0.04 0.29 0.44 0.00 -1.05 0.00 0.00 178.16 177.80 3vhb h ALA 142 N 0.74 1.43 0.00 3.88 0.00 0.65 -0.53 119.26 125.42 3vhb h ALA 142 Ca 0.01 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3vhb h ALA 142 Cb 0.27 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3vhb h ALA 142 CO 0.00 -0.23 0.00 0.94 0.00 0.00 0.00 179.25 179.96 3vhb n GLN 143 N -4.95 0.14 -0.29 0.00 7.27 0.14 -4.14 117.38 115.55 3vhb n GLN 143 Ca 0.21 0.16 -0.00 0.00 0.07 0.00 0.00 57.00 57.44 3vhb n GLN 143 Cb 0.58 -1.68 -0.00 0.00 2.41 0.00 0.00 30.24 31.55 3vhb n GLN 143 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3vhb n ALA 144 N -1.66 2.93 -1.76 1.69 0.00 -0.21 -5.08 120.51 116.42 3vhb n ALA 144 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3vhb n ALA 144 Cb 0.35 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.35 3vhb n ALA 144 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78