#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 6.41 0.26 1.45 -4.77 -1.26 -5.01 116.67 113.75 1vhb s ASP 3 Ca 0.00 0.90 -0.02 0.00 -3.30 0.00 0.00 52.55 50.14 1vhb s ASP 3 Cb 0.00 -2.23 0.45 0.00 -1.09 0.00 0.00 42.92 40.05 1vhb s ASP 3 CO 0.00 -0.39 1.84 1.56 0.70 0.00 0.00 175.17 178.88 1vhb h GLN 4 N 1.02 0.95 -0.74 2.11 4.20 -2.05 -1.70 115.11 118.89 1vhb h GLN 4 Ca -0.47 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.12 1vhb h GLN 4 Cb 1.20 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.73 1vhb h GLN 4 CO 0.64 0.63 0.22 0.37 -0.67 0.00 0.00 178.83 180.02 1vhb h GLN 5 N 0.98 1.16 0.38 1.46 -0.00 -1.97 0.68 115.11 117.80 1vhb h GLN 5 Ca 0.44 -0.26 -0.02 0.00 -0.00 0.00 0.00 58.65 58.82 1vhb h GLN 5 Cb 0.34 -0.17 0.00 0.00 0.00 0.00 0.00 27.48 27.66 1vhb h GLN 5 CO -0.23 0.99 -0.18 1.15 0.00 0.00 0.00 178.83 180.56 1vhb h THR 6 N 1.11 0.63 -0.74 2.39 2.02 -1.88 0.87 112.91 117.31 1vhb h THR 6 Ca 0.24 -0.03 0.08 0.00 0.77 0.00 0.00 66.41 67.46 1vhb h THR 6 Cb 0.32 0.65 -0.06 0.00 -1.74 0.00 0.00 68.15 67.32 1vhb h THR 6 CO -0.01 0.01 0.42 0.40 0.37 0.00 0.00 175.52 176.71 1vhb h ILE 7 N -0.53 0.93 -0.45 3.11 2.04 -0.47 1.28 117.51 123.43 1vhb h ILE 7 Ca -0.05 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.58 1vhb h ILE 7 Cb 0.40 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1vhb h ILE 7 CO 0.09 0.13 0.26 0.78 0.00 0.00 0.00 178.15 179.41 1vhb h ASN 8 N 0.73 0.41 -0.56 1.72 -0.26 0.97 0.46 115.58 119.06 1vhb h ASN 8 Ca 0.35 0.01 -0.07 0.00 -0.56 0.00 0.00 56.30 56.03 1vhb h ASN 8 Cb 0.27 -0.08 -0.03 0.00 -1.06 0.00 0.00 38.32 37.43 1vhb h ASN 8 CO -0.22 0.30 0.10 0.40 -1.06 0.00 0.00 177.43 176.95 1vhb h ILE 9 N 0.52 1.25 0.02 2.81 2.04 0.26 -1.35 117.51 123.06 1vhb h ILE 9 Ca 0.18 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 1vhb h ILE 9 Cb 0.02 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1vhb h ILE 9 CO -0.09 0.35 -0.01 0.40 0.00 0.00 0.00 178.15 178.81 1vhb h ILE 10 N 0.90 1.14 -0.45 -0.67 1.08 0.31 -2.49 117.51 117.33 1vhb h ILE 10 Ca 0.19 -0.51 0.04 0.00 -0.39 0.00 0.00 64.86 64.19 1vhb h ILE 10 Cb 0.39 1.49 -0.03 0.00 -3.07 0.00 0.00 36.82 35.60 1vhb h ILE 10 CO 0.01 0.13 0.30 0.11 -0.69 0.00 0.00 178.15 178.01 1vhb h LYS 11 N -0.25 0.43 -0.07 2.37 1.57 0.12 -2.25 116.57 118.49 1vhb h LYS 11 Ca -0.00 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.55 1vhb h LYS 11 Cb 0.24 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1vhb h LYS 11 CO 0.00 0.28 -0.79 0.00 -0.57 0.00 0.00 179.45 178.38 1vhb h ALA 12 N 1.75 0.49 0.00 3.86 0.00 -1.20 -3.39 119.26 120.78 1vhb h ALA 12 Ca 0.19 -0.63 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 1vhb h ALA 12 Cb 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1vhb h ALA 12 CO -0.05 0.76 -2.01 0.25 0.00 0.00 0.00 179.25 178.20 1vhb n THR 13 N -3.83 0.59 -0.25 0.00 -2.24 -0.94 -4.49 114.28 103.11 1vhb n THR 13 Ca -0.05 -0.63 0.05 0.00 -2.27 0.00 0.00 64.05 61.15 1vhb n THR 13 Cb 0.74 -0.24 0.18 0.00 -2.10 0.00 0.00 70.33 68.92 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 0.51 -0.83 2.28 2.07 -1.60 0.13 116.25 118.80 1vhb h VAL 14 Ca -0.19 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.31 1vhb h VAL 14 Cb 1.45 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1vhb h VAL 14 CO 0.01 0.05 0.54 -0.65 0.02 0.00 0.00 177.57 177.55 1vhb h PRO 15 N 0.26 0.89 -0.35 1.57 0.11 -1.81 0.73 132.00 133.40 1vhb h PRO 15 Ca 0.41 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 66.32 1vhb h PRO 15 Cb 0.71 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1vhb h PRO 15 CO -0.51 0.59 -0.36 0.28 -0.21 0.00 0.00 178.00 177.78 1vhb h VAL 16 N 0.91 1.28 -0.19 3.15 2.07 -1.07 -2.22 116.25 120.18 1vhb h VAL 16 Ca 0.36 -1.53 -0.04 0.00 0.82 0.00 0.00 66.70 66.31 1vhb h VAL 16 Cb 0.24 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1vhb h VAL 16 CO -0.13 0.50 -0.03 -0.07 0.02 0.00 0.00 177.57 177.86 1vhb h LEU 17 N 0.68 0.35 -1.34 2.57 3.38 0.70 -2.89 115.31 118.76 1vhb h LEU 17 Ca 0.06 -0.35 0.16 0.00 0.09 0.00 0.00 57.88 57.84 1vhb h LEU 17 Cb 0.92 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.50 1vhb h LEU 17 CO 0.08 0.63 0.57 0.11 0.09 0.00 0.00 178.44 179.92 1vhb h LYS 18 N 0.08 0.59 0.00 1.13 1.57 0.47 0.25 116.57 120.66 1vhb h LYS 18 Ca 0.05 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1vhb h LYS 18 Cb 0.46 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1vhb h LYS 18 CO 0.02 0.39 -0.11 0.93 -0.57 0.00 0.00 179.45 180.11 1vhb h GLU 19 N 0.61 0.00 -0.59 3.15 5.08 -1.18 -2.03 114.58 119.62 1vhb h GLU 19 Ca 0.45 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.51 1vhb h GLU 19 Cb 0.84 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.90 1vhb h GLU 19 CO -0.20 0.11 0.19 0.72 -1.00 0.00 0.00 179.01 178.83 1vhb n HIS 20 N -4.35 1.83 -0.23 4.33 8.25 0.84 -4.79 115.22 121.10 1vhb n HIS 20 Ca -0.03 -1.70 0.00 0.00 -0.26 0.00 0.00 57.72 55.74 1vhb n HIS 20 Cb 0.18 -0.66 0.08 0.00 1.12 0.00 0.00 29.99 30.71 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 1.02 0.51 0.59 -1.41 0.00 -0.84 -1.57 103.07 101.37 1vhb h GLY 21 Ca 0.38 0.21 0.11 0.00 0.00 0.00 0.00 47.33 48.02 1vhb h GLY 21 CO 0.66 -0.26 0.62 -0.24 0.00 0.00 0.00 176.54 177.32 1vhb h VAL 22 N 0.01 0.96 -0.26 4.60 3.04 -1.86 -0.69 116.25 122.04 1vhb h VAL 22 Ca 0.33 -0.33 -0.09 0.00 -1.01 0.00 0.00 66.70 65.59 1vhb h VAL 22 Cb 0.51 -0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 29.67 1vhb h VAL 22 CO -0.69 0.18 -0.18 0.74 -1.01 0.00 0.00 177.57 176.61 1vhb h THR 23 N 0.98 1.31 -0.21 3.17 2.02 -1.70 -1.07 112.91 117.41 1vhb h THR 23 Ca 0.46 -1.31 0.00 0.00 0.77 0.00 0.00 66.41 66.33 1vhb h THR 23 Cb 0.43 1.58 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1vhb h THR 23 CO -0.22 0.41 0.13 0.40 0.37 0.00 0.00 175.52 176.61 1vhb h ILE 24 N 0.31 1.07 0.11 3.11 2.04 -0.88 0.67 117.51 123.94 1vhb h ILE 24 Ca 0.05 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1vhb h ILE 24 Cb 0.72 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 1vhb h ILE 24 CO 0.05 0.07 -0.05 0.74 0.00 0.00 0.00 178.15 178.96 1vhb h THR 25 N 0.26 0.91 -0.57 -0.27 2.02 -1.06 0.16 112.91 114.36 1vhb h THR 25 Ca 0.08 -0.06 -0.08 0.00 0.77 0.00 0.00 66.41 67.12 1vhb h THR 25 Cb -0.00 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1vhb h THR 25 CO -0.01 0.01 0.06 0.71 0.37 0.00 0.00 175.52 176.66 1vhb h THR 26 N -0.17 1.26 -0.38 3.16 1.35 -1.11 -2.27 112.91 114.76 1vhb h THR 26 Ca -0.01 -1.03 -0.06 0.00 -0.55 0.00 0.00 66.41 64.76 1vhb h THR 26 Cb 0.13 0.82 -0.01 0.00 -1.73 0.00 0.00 68.15 67.36 1vhb h THR 26 CO 0.02 0.37 0.02 0.74 -0.25 0.00 0.00 175.52 176.43 1vhb h THR 27 N 0.85 1.25 -0.16 6.82 2.02 -0.73 -1.92 112.91 121.05 1vhb h THR 27 Ca 0.17 -0.95 0.04 0.00 0.77 0.00 0.00 66.41 66.44 1vhb h THR 27 Cb 0.46 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 1vhb h THR 27 CO 0.02 0.32 -0.08 0.15 0.37 0.00 0.00 175.52 176.29 1vhb h PHE 28 N 0.48 -0.20 -0.75 3.16 3.57 -0.89 -2.06 116.94 120.25 1vhb h PHE 28 Ca 0.11 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1vhb h PHE 28 Cb 0.43 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1vhb h PHE 28 CO 0.03 -0.13 0.30 1.88 -2.23 0.00 0.00 178.31 178.16 1vhb h TYR 29 N -0.07 1.15 0.23 0.41 0.05 -1.34 0.35 116.97 117.75 1vhb h TYR 29 Ca 0.09 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1vhb h TYR 29 Cb 0.20 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 1vhb h TYR 29 CO -0.22 0.88 -0.21 -0.22 -1.05 0.00 0.00 178.16 177.33 1vhb h LYS 30 N 1.09 -0.45 -0.38 4.88 1.63 -1.21 -2.16 116.57 119.97 1vhb h LYS 30 Ca 0.25 0.03 -0.13 0.00 -0.85 0.00 0.00 60.65 59.96 1vhb h LYS 30 Cb 0.22 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.94 1vhb h LYS 30 CO -0.02 -0.30 -0.27 -0.91 -3.45 0.00 0.00 179.45 174.51 1vhb h ASN 31 N -0.46 0.82 0.32 4.20 2.35 -1.27 -2.29 115.58 119.23 1vhb h ASN 31 Ca -0.01 -0.32 -0.00 0.00 -0.55 0.00 0.00 56.30 55.43 1vhb h ASN 31 Cb 0.43 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1vhb h ASN 31 CO -0.04 1.04 -0.29 0.25 -1.65 0.00 0.00 177.43 176.74 1vhb h LEU 32 N 0.68 -0.78 -1.05 1.61 5.85 -0.83 -1.18 115.31 119.61 1vhb h LEU 32 Ca 0.08 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 1vhb h LEU 32 Cb 0.80 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1vhb h LEU 32 CO 0.07 -0.42 -0.25 -0.26 -0.34 0.00 0.00 178.44 177.23 1vhb h PHE 33 N -0.63 0.41 -0.04 1.25 0.04 -1.41 -1.45 116.94 115.11 1vhb h PHE 33 Ca -0.02 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.66 1vhb h PHE 33 Cb 0.57 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 38.62 1vhb h PHE 33 CO -0.17 0.59 -0.04 0.00 -0.60 0.00 0.00 178.31 178.09 1vhb h ALA 34 N 1.41 0.06 0.00 2.45 0.00 -1.29 -3.28 119.26 118.60 1vhb h ALA 34 Ca 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1vhb h ALA 34 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1vhb h ALA 34 CO 0.04 -0.16 -0.23 1.63 0.00 0.00 0.00 179.25 180.53 1vhb n LYS 35 N -4.77 0.26 -3.17 0.00 5.02 -0.46 -4.44 118.16 110.61 1vhb n LYS 35 Ca -0.08 0.16 -0.21 0.00 -2.02 0.00 0.00 58.31 56.16 1vhb n LYS 35 Cb 0.28 -1.75 -0.05 0.00 -0.02 0.00 0.00 35.03 33.49 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 -2.18 -0.36 0.15 2.13 8.25 -0.55 -4.94 115.22 117.72 1vhb n HIS 36 Ca 0.05 -3.55 0.18 0.00 -0.26 0.00 0.00 57.72 54.13 1vhb n HIS 36 Cb 0.43 -0.27 0.78 0.00 1.12 0.00 0.00 29.99 32.05 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 3.69 0.00 0.00 -0.41 0.11 -1.77 -1.20 132.00 132.42 1vhb h PRO 37 Ca 0.07 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 1vhb h PRO 37 Cb 0.92 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 1vhb h PRO 37 CO 0.46 0.00 -0.07 1.05 -0.21 0.00 0.00 178.00 179.24 1vhb h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.92 -1.65 114.58 121.15 1vhb h GLU 38 Ca 0.13 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.54 1vhb h GLU 38 Cb 0.64 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.74 1vhb h GLU 38 CO -0.00 0.07 -0.38 1.33 0.05 0.00 0.00 179.01 180.08 1vhb n VAL 39 N -3.37 0.27 -0.29 -1.06 0.24 -0.45 -4.10 118.33 109.57 1vhb n VAL 39 Ca -0.01 -0.17 0.09 0.00 -2.04 0.00 0.00 64.34 62.21 1vhb n VAL 39 Cb 0.22 -0.19 0.33 0.00 -1.47 0.00 0.00 33.84 32.73 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 0.00 0.78 0.00 7.34 3.08 -1.40 0.56 114.38 124.75 1vhb h ARG 40 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1vhb h ARG 40 Cb 0.65 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.53 1vhb h ARG 40 CO 0.00 0.52 0.00 -1.35 -1.07 0.00 0.00 179.97 178.07 1vhb h PRO 41 N 0.80 0.00 0.00 0.04 0.11 -1.74 -1.69 132.00 129.52 1vhb h PRO 41 Ca 0.44 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.52 1vhb h PRO 41 Cb 0.57 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.68 1vhb h PRO 41 CO -0.20 0.00 -0.14 -0.07 -0.21 0.00 0.00 178.00 177.37 1vhb h LEU 42 N 0.00 0.00 0.00 2.35 3.38 -1.15 -3.54 115.31 116.35 1vhb h LEU 42 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1vhb h LEU 42 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1vhb h LEU 42 CO 0.00 0.14 0.00 0.49 0.09 0.00 0.00 178.44 179.16 1vhb n PHE 43 N -3.19 -1.61 -4.52 1.13 3.01 -0.64 -5.02 117.46 106.62 1vhb n PHE 43 Ca 0.02 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.26 1vhb n PHE 43 Cb 0.48 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.80 1vhb n PHE 43 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1vhb s GLN 53 N -0.46 1.16 -0.70 -1.08 -0.21 -1.26 -5.06 119.66 112.05 1vhb s GLN 53 Ca 0.00 -0.40 -0.26 0.00 0.02 0.00 0.00 55.36 54.73 1vhb s GLN 53 Cb 0.00 -1.06 -0.06 0.00 1.00 0.00 0.00 33.01 32.89 1vhb s GLN 53 CO 0.00 0.17 2.11 -2.14 -2.12 0.00 0.00 175.29 173.30 1vhb s PRO 54 N 0.09 2.29 0.64 2.91 0.02 -1.26 -4.74 135.00 134.95 1vhb s PRO 54 Ca -0.02 0.51 0.36 0.00 0.02 0.00 0.00 61.00 61.87 1vhb s PRO 54 Cb -0.09 -4.69 2.00 0.00 0.02 0.00 0.00 34.50 31.74 1vhb s PRO 54 CO 0.01 -3.36 2.20 0.87 -0.33 0.00 0.00 177.00 176.39 1vhb h LYS 55 N 14.55 0.00 -0.02 5.54 1.79 -2.06 -2.33 116.57 134.04 1vhb h LYS 55 Ca -0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1vhb h LYS 55 Cb 1.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 1vhb h LYS 55 CO 1.16 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 179.53 1vhb n ALA 56 N -2.15 2.58 -0.04 3.86 0.00 -1.26 -4.44 120.51 119.06 1vhb n ALA 56 Ca -0.02 -0.43 -0.14 0.00 0.00 0.00 0.00 53.44 52.86 1vhb n ALA 56 Cb 0.19 -1.19 -0.08 0.00 0.00 0.00 0.00 19.45 18.37 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 2.15 -1.61 -0.37 0.00 6.46 -1.82 0.11 115.31 120.23 1vhb h LEU 57 Ca 0.00 0.21 -0.08 0.00 -0.12 0.00 0.00 57.88 57.88 1vhb h LEU 57 Cb 0.46 0.65 -0.01 0.00 -0.73 0.00 0.00 40.66 41.03 1vhb h LEU 57 CO 0.00 -0.45 -0.09 0.00 -0.62 0.00 0.00 178.44 177.28 1vhb h ALA 58 N -0.06 0.51 -0.42 1.25 0.00 -1.84 -2.81 119.26 115.89 1vhb h ALA 58 Ca 0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1vhb h ALA 58 Cb 0.65 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1vhb h ALA 58 CO -0.47 0.37 0.13 0.52 0.00 0.00 0.00 179.25 179.80 1vhb h MET 59 N 0.52 0.61 -0.39 0.00 2.86 -1.78 -2.48 114.93 114.27 1vhb h MET 59 Ca 0.09 -0.09 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1vhb h MET 59 Cb 0.61 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1vhb h MET 59 CO 0.04 0.53 0.01 1.15 1.06 0.00 0.00 176.91 179.70 1vhb h THR 60 N 0.60 1.21 -0.78 2.22 2.02 -0.54 -0.63 112.91 117.02 1vhb h THR 60 Ca 0.14 -0.83 -0.05 0.00 0.77 0.00 0.00 66.41 66.44 1vhb h THR 60 Cb 0.18 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 1vhb h THR 60 CO -0.01 0.29 0.29 0.58 0.37 0.00 0.00 175.52 177.04 1vhb h VAL 61 N 0.58 1.26 -0.69 3.16 2.07 -1.26 0.10 116.25 121.48 1vhb h VAL 61 Ca 0.12 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 1vhb h VAL 61 Cb 0.35 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1vhb h VAL 61 CO 0.01 0.34 0.28 -0.07 0.02 0.00 0.00 177.57 178.15 1vhb h LEU 62 N 1.13 0.95 -0.68 2.57 3.38 -1.08 0.14 115.31 121.72 1vhb h LEU 62 Ca 0.26 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1vhb h LEU 62 Cb 0.24 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1vhb h LEU 62 CO -0.02 0.86 0.26 0.00 0.09 0.00 0.00 178.44 179.63 1vhb h ALA 63 N 1.13 0.88 -0.45 1.53 0.00 -0.77 -0.22 119.26 121.35 1vhb h ALA 63 Ca 0.23 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1vhb h ALA 63 Cb 0.21 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1vhb h ALA 63 CO -0.02 0.51 -0.10 0.00 0.00 0.00 0.00 179.25 179.64 1vhb h ALA 64 N 1.11 0.98 -0.71 0.00 0.00 0.10 -2.82 119.26 117.93 1vhb h ALA 64 Ca 0.22 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1vhb h ALA 64 Cb 0.23 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1vhb h ALA 64 CO -0.02 0.61 0.41 0.00 0.00 0.00 0.00 179.25 180.25 1vhb h ALA 65 N 1.15 0.90 0.00 0.00 0.00 0.02 -1.49 119.26 119.85 1vhb h ALA 65 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1vhb h ALA 65 Cb 0.59 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1vhb h ALA 65 CO 0.04 0.39 0.00 -0.56 0.00 0.00 0.00 179.25 179.12 1vhb h GLN 66 N 0.97 0.00 -0.67 0.00 3.07 -0.81 -1.49 115.11 116.18 1vhb h GLN 66 Ca 0.25 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.72 1vhb h GLN 66 Cb -0.00 0.00 -0.16 0.00 0.08 0.00 0.00 27.48 27.40 1vhb h GLN 66 CO -0.04 0.00 0.27 0.09 0.09 0.00 0.00 178.83 179.23 1vhb n ASN 67 N -2.99 3.87 0.24 0.06 4.13 -0.62 -4.70 115.26 115.25 1vhb n ASN 67 Ca -0.00 -3.44 0.11 0.00 1.68 0.00 0.00 54.58 52.93 1vhb n ASN 67 Cb 0.22 -0.72 0.71 0.00 -1.54 0.00 0.00 39.78 38.45 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 1.71 0.86 0.00 2.41 6.09 -0.63 -1.09 117.51 126.86 1vhb h ILE 68 Ca 0.33 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.82 1vhb h ILE 68 Cb 2.23 0.96 0.00 0.00 0.47 0.00 0.00 36.82 40.48 1vhb h ILE 68 CO 0.70 0.00 0.00 -0.62 -3.07 0.00 0.00 178.15 175.16 1vhb n GLU 69 N -4.35 0.26 -2.93 2.19 1.02 -1.26 -3.95 120.64 111.62 1vhb n GLU 69 Ca -0.01 0.25 -0.20 0.00 -0.02 0.00 0.00 57.16 57.18 1vhb n GLU 69 Cb 0.15 -1.82 -0.02 0.00 -0.02 0.00 0.00 31.44 29.74 1vhb n GLU 69 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1vhb n ASN 70 N -2.27 2.37 -0.26 1.62 4.05 -0.44 -4.94 115.26 115.39 1vhb n ASN 70 Ca 0.05 -3.21 0.15 0.00 0.45 0.00 0.00 54.58 52.02 1vhb n ASN 70 Cb 0.40 -0.57 0.43 0.00 1.23 0.00 0.00 39.78 41.28 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 2.94 0.56 -1.80 1.20 3.38 -1.62 -1.89 115.31 118.08 1vhb h LEU 71 Ca 0.09 0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.24 1vhb h LEU 71 Cb 0.89 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 1vhb h LEU 71 CO 0.62 0.26 0.41 -0.65 0.09 0.00 0.00 178.44 179.17 1vhb h PRO 72 N 0.57 0.20 0.00 1.13 0.11 -1.92 0.82 132.00 132.92 1vhb h PRO 72 Ca 0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.55 1vhb h PRO 72 Cb 0.90 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1vhb h PRO 72 CO -0.20 0.13 -0.03 0.00 -0.21 0.00 0.00 178.00 177.69 1vhb h ALA 73 N 1.71 1.07 -0.31 -0.75 0.00 -1.72 -2.18 119.26 117.08 1vhb h ALA 73 Ca 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1vhb h ALA 73 Cb 0.82 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1vhb h ALA 73 CO -0.05 0.04 0.00 0.44 0.00 0.00 0.00 179.25 179.68 1vhb n ILE 74 N -3.23 0.40 -0.25 0.00 -5.35 0.28 -4.56 119.36 106.66 1vhb n ILE 74 Ca -0.01 -0.59 0.05 0.00 -0.27 0.00 0.00 62.75 61.93 1vhb n ILE 74 Cb 0.20 0.72 0.18 0.00 -1.74 0.00 0.00 39.64 39.00 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 3.55 0.14 -1.12 7.28 3.38 -1.43 -1.49 115.31 125.61 1vhb h LEU 75 Ca 0.00 0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.16 1vhb h LEU 75 Cb 0.78 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 1vhb h LEU 75 CO 0.00 0.03 0.60 -0.65 0.09 0.00 0.00 178.44 178.51 1vhb h PRO 76 N 0.35 1.03 -0.09 1.13 0.11 -1.83 0.15 132.00 132.85 1vhb h PRO 76 Ca 0.41 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.40 1vhb h PRO 76 Cb 0.67 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1vhb h PRO 76 CO -0.46 0.68 -0.16 0.00 -0.21 0.00 0.00 178.00 177.86 1vhb h ALA 77 N 1.50 0.14 -0.83 -0.75 0.00 -1.64 -2.93 119.26 114.75 1vhb h ALA 77 Ca 0.39 -0.35 0.11 0.00 0.00 0.00 0.00 54.91 55.06 1vhb h ALA 77 Cb 0.18 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 1vhb h ALA 77 CO -0.15 0.05 0.46 0.28 0.00 0.00 0.00 179.25 179.90 1vhb h VAL 78 N -0.18 0.87 -0.50 0.00 2.07 -1.00 -1.41 116.25 116.11 1vhb h VAL 78 Ca 0.01 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 1vhb h VAL 78 Cb 0.73 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1vhb h VAL 78 CO 0.04 0.14 0.09 0.50 0.02 0.00 0.00 177.57 178.35 1vhb h LYS 79 N 0.75 0.82 -0.48 1.57 1.63 -0.71 0.85 116.57 121.00 1vhb h LYS 79 Ca 0.41 -0.22 -0.04 0.00 -0.85 0.00 0.00 60.65 59.96 1vhb h LYS 79 Cb 0.43 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 1vhb h LYS 79 CO -0.27 0.81 0.16 -0.22 -3.45 0.00 0.00 179.45 176.48 1vhb h LYS 80 N 0.70 0.74 -0.30 1.90 1.63 -1.18 -2.78 116.57 117.28 1vhb h LYS 80 Ca 0.15 -0.15 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1vhb h LYS 80 Cb 0.38 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 1vhb h LYS 80 CO 0.01 0.69 0.12 0.82 -3.45 0.00 0.00 179.45 177.64 1vhb h ILE 81 N 0.65 1.18 -0.83 2.00 2.04 -1.00 -3.00 117.51 118.54 1vhb h ILE 81 Ca 0.16 -0.54 0.19 0.00 1.00 0.00 0.00 64.86 65.66 1vhb h ILE 81 Cb 0.25 0.98 -0.11 0.00 -0.74 0.00 0.00 36.82 37.20 1vhb h ILE 81 CO -0.01 0.19 0.33 0.00 0.00 0.00 0.00 178.15 178.66 1vhb h ALA 82 N 0.96 1.24 -0.41 1.87 0.00 -0.74 0.40 119.26 122.59 1vhb h ALA 82 Ca 0.10 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1vhb h ALA 82 Cb 0.18 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1vhb h ALA 82 CO -0.01 -0.29 0.05 0.28 0.00 0.00 0.00 179.25 179.28 1vhb h VAL 83 N 0.40 1.20 -0.13 0.00 2.07 -1.36 0.15 116.25 118.58 1vhb h VAL 83 Ca 0.49 -0.78 -0.18 0.00 0.82 0.00 0.00 66.70 67.06 1vhb h VAL 83 Cb 0.86 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1vhb h VAL 83 CO -0.49 0.28 -0.65 0.11 0.02 0.00 0.00 177.57 176.84 1vhb h LYS 84 N 0.60 0.50 -0.69 1.57 1.57 -0.33 -1.63 116.57 118.16 1vhb h LYS 84 Ca 0.13 -0.36 -0.04 0.00 -1.87 0.00 0.00 60.65 58.52 1vhb h LYS 84 Cb 0.31 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1vhb h LYS 84 CO 0.01 0.98 0.29 0.45 -0.57 0.00 0.00 179.45 180.60 1vhb h HIS 85 N 0.36 1.03 -0.14 -1.35 3.86 0.58 -2.59 115.15 116.91 1vhb h HIS 85 Ca -0.02 -0.07 -0.14 0.00 -1.16 0.00 0.00 60.37 58.98 1vhb h HIS 85 Cb 1.21 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 29.36 1vhb h HIS 85 CO 0.05 0.80 -0.53 0.00 0.86 0.00 0.00 177.93 179.11 1vhb h GLN 87 N 0.30 0.75 0.00 0.00 1.08 -1.19 -3.11 115.11 112.95 1vhb h GLN 87 Ca 0.01 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 1vhb h GLN 87 Cb 1.03 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 1vhb h GLN 87 CO 0.09 0.67 -0.03 0.00 -0.95 0.00 0.00 178.83 178.61 1vhb n ALA 88 N -2.46 2.34 -0.95 3.87 0.00 -0.98 -4.95 120.51 117.36 1vhb n ALA 88 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1vhb n ALA 88 Cb 0.20 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1vhb n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vhb n GLY 89 N 1.36 0.89 3.74 0.00 0.00 -0.97 -4.92 105.19 105.28 1vhb n GLY 89 Ca 0.06 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 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 2.82 0.20 1.61 1.01 -0.66 -5.01 120.40 118.37 1vhb s VAL 90 Ca 0.00 0.66 0.09 0.00 0.00 0.00 0.00 61.98 62.73 1vhb s VAL 90 Cb 0.00 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 1vhb s VAL 90 CO 0.00 0.09 -0.09 0.00 0.00 0.00 0.00 175.10 175.10 1vhb s ALA 91 N 0.31 2.95 0.54 5.51 0.00 -1.26 -4.84 121.76 124.98 1vhb s ALA 91 Ca 0.61 -1.52 0.22 0.00 0.00 0.00 0.00 51.96 51.27 1vhb s ALA 91 Cb -0.41 -0.71 1.44 0.00 0.00 0.00 0.00 23.12 23.44 1vhb s ALA 91 CO 0.39 0.43 2.14 0.00 0.00 0.00 0.00 175.76 178.72 1vhb h ALA 92 N 2.75 1.97 0.00 0.00 0.00 -1.95 -0.54 119.26 121.49 1vhb h ALA 92 Ca -0.46 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1vhb h ALA 92 Cb 1.21 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1vhb h ALA 92 CO 0.55 -0.14 -0.00 0.00 0.00 0.00 0.00 179.25 179.65 1vhb h ALA 93 N 1.93 1.00 0.00 0.00 0.00 -2.01 -2.27 119.26 117.91 1vhb h ALA 93 Ca 0.05 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1vhb h ALA 93 Cb 0.23 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1vhb h ALA 93 CO -0.00 0.00 -0.26 0.45 0.00 0.00 0.00 179.25 179.44 1vhb h HIS 94 N 0.00 0.00 -0.53 0.00 -0.00 -1.50 -3.38 115.15 109.74 1vhb h HIS 94 Ca -0.00 0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.43 1vhb h HIS 94 Cb 0.46 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.82 1vhb h HIS 94 CO 0.00 0.26 0.24 1.88 -0.00 0.00 0.00 177.93 180.31 1vhb h TYR 95 N 0.00 0.43 -0.18 2.45 -1.99 -1.49 -2.50 116.97 113.69 1vhb h TYR 95 Ca -0.00 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.71 1vhb h TYR 95 Cb 0.98 -0.12 -0.01 0.00 2.00 0.00 0.00 36.73 39.58 1vhb h TYR 95 CO 0.00 0.18 -0.08 -1.35 -0.00 0.00 0.00 178.16 176.91 1vhb h PRO 96 N 0.46 0.28 -0.16 4.88 0.11 -1.77 -0.42 132.00 135.38 1vhb h PRO 96 Ca 0.24 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.22 1vhb h PRO 96 Cb 0.21 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.27 1vhb h PRO 96 CO -0.20 0.38 -0.20 0.82 -0.21 0.00 0.00 178.00 178.58 1vhb h ILE 97 N 0.27 1.35 -0.88 4.15 2.04 -1.68 0.12 117.51 122.88 1vhb h ILE 97 Ca 0.06 -1.40 -0.02 0.00 1.00 0.00 0.00 64.86 64.50 1vhb h ILE 97 Cb 0.32 1.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.25 1vhb h ILE 97 CO 0.02 0.42 0.49 0.58 0.00 0.00 0.00 178.15 179.65 1vhb h VAL 98 N 0.05 1.25 -0.39 1.67 2.07 -1.18 -2.22 116.25 117.50 1vhb h VAL 98 Ca 0.02 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1vhb h VAL 98 Cb 0.76 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1vhb h VAL 98 CO 0.05 0.28 0.21 1.23 0.02 0.00 0.00 177.57 179.36 1vhb h GLY 99 N 1.23 0.58 1.00 2.17 0.00 -0.86 -0.59 103.07 106.61 1vhb h GLY 99 Ca 0.31 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.38 1vhb h GLY 99 CO -0.05 0.26 0.46 -1.61 0.00 0.00 0.00 176.54 175.59 1vhb h GLN 100 N 0.50 0.90 -0.07 4.80 4.15 -0.27 -1.89 115.11 123.23 1vhb h GLN 100 Ca 0.14 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.37 1vhb h GLN 100 Cb 0.07 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 1vhb h GLN 100 CO -0.02 0.60 -0.54 0.93 -1.93 0.00 0.00 178.83 177.87 1vhb h GLU 101 N 0.93 0.21 -0.04 1.69 4.39 -1.00 -2.42 114.58 118.34 1vhb h GLU 101 Ca 0.25 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 1vhb h GLU 101 Cb -0.10 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.56 1vhb h GLU 101 CO -0.06 0.70 0.02 1.25 -1.16 0.00 0.00 179.01 179.75 1vhb h LEU 102 N 0.16 0.06 -1.37 1.33 7.12 -0.79 -1.20 115.31 120.62 1vhb h LEU 102 Ca 0.00 -0.18 -0.00 0.00 0.13 0.00 0.00 57.88 57.83 1vhb h LEU 102 Cb 1.00 -0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 41.09 1vhb h LEU 102 CO 0.08 0.22 0.33 -0.07 -0.13 0.00 0.00 178.44 178.87 1vhb h LEU 103 N -0.10 0.67 -0.37 2.25 -0.00 -1.30 -0.09 115.31 116.36 1vhb h LEU 103 Ca 0.01 -0.04 -0.02 0.00 -0.00 0.00 0.00 57.88 57.84 1vhb h LEU 103 Cb 0.18 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 40.66 1vhb h LEU 103 CO -0.00 0.52 0.16 1.23 -0.00 0.00 0.00 178.44 180.35 1vhb h GLY 104 N 0.81 0.59 1.02 0.83 0.00 -1.29 0.74 103.07 105.77 1vhb h GLY 104 Ca 0.20 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 1vhb h GLY 104 CO -0.04 0.29 0.47 0.00 0.00 0.00 0.00 176.54 177.26 1vhb h ALA 105 N 1.01 1.06 -0.37 3.60 0.00 0.04 -2.30 119.26 122.31 1vhb h ALA 105 Ca 0.13 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1vhb h ALA 105 Cb 0.16 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1vhb h ALA 105 CO -0.01 0.56 -0.13 0.82 0.00 0.00 0.00 179.25 180.49 1vhb h ILE 106 N 1.15 1.25 -0.26 0.00 2.04 -0.71 -2.50 117.51 118.48 1vhb h ILE 106 Ca 0.29 -1.13 -0.04 0.00 1.00 0.00 0.00 64.86 64.98 1vhb h ILE 106 Cb 0.01 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1vhb h ILE 106 CO -0.05 0.38 0.01 0.50 0.00 0.00 0.00 178.15 178.99 1vhb h LYS 107 N 0.59 0.46 -0.42 2.37 3.64 -0.50 -1.05 116.57 121.66 1vhb h LYS 107 Ca 0.10 -0.14 0.07 0.00 -1.27 0.00 0.00 60.65 59.41 1vhb h LYS 107 Cb 0.57 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.28 1vhb h LYS 107 CO 0.04 0.61 0.06 1.49 -2.27 0.00 0.00 179.45 179.38 1vhb h GLU 108 N 0.25 0.18 -0.41 1.90 4.81 -1.29 -1.36 114.58 118.65 1vhb h GLU 108 Ca 0.08 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.18 1vhb h GLU 108 Cb 0.40 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1vhb h GLU 108 CO 0.01 0.12 -0.23 0.28 -0.73 0.00 0.00 179.01 178.47 1vhb h VAL 109 N 0.19 1.27 -0.01 0.32 2.07 -1.32 -3.18 116.25 115.59 1vhb h VAL 109 Ca 0.20 -1.35 -0.17 0.00 0.82 0.00 0.00 66.70 66.20 1vhb h VAL 109 Cb 0.26 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1vhb h VAL 109 CO -0.29 0.45 -0.77 -0.07 0.02 0.00 0.00 177.57 176.92 1vhb h LEU 110 N 0.71 0.16 0.00 2.57 3.38 -0.71 -3.48 115.31 117.93 1vhb h LEU 110 Ca 0.10 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1vhb h LEU 110 Cb 0.75 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1vhb h LEU 110 CO 0.06 0.86 0.00 0.61 0.09 0.00 0.00 178.44 180.06 1vhb n GLY 111 N 0.64 3.77 0.27 0.83 0.00 -0.56 -2.49 105.19 107.66 1vhb n GLY 111 Ca -0.02 0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 0.09 0.30 1.61 3.32 -1.93 -0.13 116.42 119.68 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 0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1vhb h ASP 112 CO 0.00 -0.01 0.00 0.00 -1.72 0.00 0.00 179.24 177.51 1vhb n ALA 113 N -2.62 1.69 -0.93 3.45 0.00 -1.04 -4.28 120.51 116.79 1vhb n ALA 113 Ca 0.15 -0.05 -0.18 0.00 0.00 0.00 0.00 53.44 53.35 1vhb n ALA 113 Cb 0.47 -1.20 -0.10 0.00 0.00 0.00 0.00 19.45 18.61 1vhb n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vhb n ALA 114 N -1.35 5.85 -0.84 0.00 0.00 -0.06 -4.91 120.51 119.18 1vhb n ALA 114 Ca 0.05 -2.03 -0.31 0.00 0.00 0.00 0.00 53.44 51.15 1vhb n ALA 114 Cb 0.12 -2.64 0.15 0.00 0.00 0.00 0.00 19.45 17.08 1vhb n ALA 114 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1vhb s THR 115 N 1.80 2.39 0.34 0.00 -4.23 -1.26 -4.80 115.64 109.88 1vhb s THR 115 Ca 0.57 0.13 0.02 0.00 -1.18 0.00 0.00 61.69 61.22 1vhb s THR 115 Cb 0.23 -2.27 0.23 0.00 1.34 0.00 0.00 72.50 72.02 1vhb s THR 115 CO -0.02 -0.17 1.97 0.44 -0.54 0.00 0.00 174.62 176.30 1vhb h ASP 116 N -1.70 0.70 0.90 3.99 3.32 -1.98 -0.59 116.42 121.07 1vhb h ASP 116 Ca -0.44 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 56.51 1vhb h ASP 116 Cb 1.26 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 1vhb h ASP 116 CO 0.44 0.56 -0.27 0.44 -1.72 0.00 0.00 179.24 178.70 1vhb h ASP 117 N 0.80 0.00 -0.00 6.45 3.32 -1.98 0.04 116.42 125.04 1vhb h ASP 117 Ca 0.21 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.18 1vhb h ASP 117 Cb 0.01 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.57 1vhb h ASP 117 CO -0.03 0.27 -0.31 0.40 -1.72 0.00 0.00 179.24 177.85 1vhb h ILE 118 N 0.00 1.52 -0.55 0.35 2.04 -1.46 -2.58 117.51 116.84 1vhb h ILE 118 Ca -0.00 -1.96 -0.01 0.00 1.00 0.00 0.00 64.86 63.89 1vhb h ILE 118 Cb 0.80 2.73 -0.03 0.00 -0.74 0.00 0.00 36.82 39.58 1vhb h ILE 118 CO 0.04 0.54 0.31 -0.07 0.00 0.00 0.00 178.15 178.97 1vhb h LEU 119 N -0.43 0.67 -1.05 1.44 3.38 -1.40 -0.70 115.31 117.22 1vhb h LEU 119 Ca -0.04 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1vhb h LEU 119 Cb 1.05 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1vhb h LEU 119 CO 0.06 0.56 0.55 0.44 0.09 0.00 0.00 178.44 180.14 1vhb h ASP 120 N 0.73 1.05 -0.34 -0.43 3.32 -1.06 -0.81 116.42 118.89 1vhb h ASP 120 Ca 0.19 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 1vhb h ASP 120 Cb 0.03 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1vhb h ASP 120 CO -0.03 0.80 0.12 0.00 -1.72 0.00 0.00 179.24 178.40 1vhb h ALA 121 N 1.39 0.44 -0.40 3.45 0.00 -0.81 -1.40 119.26 121.93 1vhb h ALA 121 Ca 0.32 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1vhb h ALA 121 Cb -0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1vhb h ALA 121 CO -0.06 0.06 0.07 -1.49 0.00 0.00 0.00 179.25 177.83 1vhb h TRP 122 N 0.40 0.61 -0.58 0.00 4.06 -0.86 0.19 115.95 119.76 1vhb h TRP 122 Ca 0.11 -0.05 -0.09 0.00 2.06 0.00 0.00 58.89 60.92 1vhb h TRP 122 Cb 0.22 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 28.18 1vhb h TRP 122 CO 0.00 0.55 -0.00 0.78 -3.56 0.00 0.00 178.44 176.21 1vhb h GLY 123 N 0.83 1.10 0.88 1.49 0.00 -0.68 0.56 103.07 107.25 1vhb h GLY 123 Ca 0.13 -0.80 -0.01 0.00 0.00 0.00 0.00 47.33 46.65 1vhb h GLY 123 CO 0.00 0.74 -0.07 0.50 0.00 0.00 0.00 176.54 177.71 1vhb h LYS 124 N 0.94 -0.18 -0.37 4.80 1.57 -0.72 -1.06 116.57 121.55 1vhb h LYS 124 Ca 0.17 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.03 1vhb h LYS 124 Cb 0.55 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 1vhb h LYS 124 CO 0.03 -0.01 -0.03 0.00 -0.57 0.00 0.00 179.45 178.87 1vhb h ALA 125 N 0.53 0.31 -0.93 3.86 0.00 -0.77 -1.76 119.26 120.49 1vhb h ALA 125 Ca -0.02 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1vhb h ALA 125 Cb 0.25 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1vhb h ALA 125 CO 0.03 -0.42 0.61 -0.92 0.00 0.00 0.00 179.25 178.55 1vhb h TYR 126 N 0.07 1.14 -0.55 0.00 3.20 -0.62 -2.34 116.97 117.87 1vhb h TYR 126 Ca 0.18 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.11 1vhb h TYR 126 Cb 0.26 -0.38 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 1vhb h TYR 126 CO -0.28 0.67 0.31 0.78 -1.64 0.00 0.00 178.16 178.00 1vhb h GLY 127 N 1.19 0.79 0.97 1.82 0.00 -0.34 0.13 103.07 107.63 1vhb h GLY 127 Ca 0.37 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.44 1vhb h GLY 127 CO -0.11 0.17 0.21 -2.08 0.00 0.00 0.00 176.54 174.72 1vhb h VAL 128 N 0.61 1.22 -0.52 4.60 2.07 -0.98 -1.03 116.25 122.22 1vhb h VAL 128 Ca 0.23 -0.67 -0.11 0.00 0.82 0.00 0.00 66.70 66.97 1vhb h VAL 128 Cb 0.08 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1vhb h VAL 128 CO -0.13 0.26 -0.09 0.40 0.02 0.00 0.00 177.57 178.02 1vhb h ILE 129 N 0.70 1.26 -0.79 4.57 2.04 -1.05 -3.00 117.51 121.24 1vhb h ILE 129 Ca 0.17 -1.22 -0.03 0.00 1.00 0.00 0.00 64.86 64.78 1vhb h ILE 129 Cb 0.20 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1vhb h ILE 129 CO -0.01 0.43 0.38 0.00 0.00 0.00 0.00 178.15 178.95 1vhb h ALA 130 N 1.02 1.19 -0.77 1.87 0.00 -0.27 -2.54 119.26 119.76 1vhb h ALA 130 Ca 0.14 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1vhb h ALA 130 Cb 0.63 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1vhb h ALA 130 CO 0.04 0.62 0.50 -0.44 0.00 0.00 0.00 179.25 179.98 1vhb h ASP 131 N 1.12 0.80 -0.12 0.00 3.32 -1.08 0.11 116.42 120.56 1vhb h ASP 131 Ca 0.27 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 1vhb h ASP 131 Cb 0.10 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 1vhb h ASP 131 CO -0.04 0.54 -0.01 0.58 -1.72 0.00 0.00 179.24 178.60 1vhb h VAL 132 N 0.92 1.26 -0.41 -1.35 2.07 -1.33 -2.27 116.25 115.15 1vhb h VAL 132 Ca 0.31 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 1vhb h VAL 132 Cb 0.07 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1vhb h VAL 132 CO -0.09 0.25 0.09 -0.26 0.02 0.00 0.00 177.57 177.58 1vhb h PHE 133 N -0.07 0.69 -0.58 1.57 -1.00 -1.06 -1.87 116.94 114.62 1vhb h PHE 133 Ca 0.03 -0.09 0.10 0.00 2.81 0.00 0.00 57.97 60.82 1vhb h PHE 133 Cb 0.39 -0.19 -0.08 0.00 3.61 0.00 0.00 35.95 39.68 1vhb h PHE 133 CO 0.04 0.67 0.17 0.82 -1.61 0.00 0.00 178.31 178.39 1vhb h ILE 134 N 0.52 0.72 -0.18 -0.55 2.04 -0.78 0.15 117.51 119.44 1vhb h ILE 134 Ca 0.13 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 1vhb h ILE 134 Cb 0.33 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1vhb h ILE 134 CO 0.00 0.06 0.03 1.56 0.00 0.00 0.00 178.15 179.80 1vhb h GLN 135 N 0.32 0.29 -0.50 2.37 1.08 -1.30 0.47 115.11 117.84 1vhb h GLN 135 Ca 0.30 -0.08 0.01 0.00 -1.45 0.00 0.00 58.65 57.43 1vhb h GLN 135 Cb 0.40 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.77 1vhb h GLN 135 CO -0.34 0.45 0.33 0.28 -0.95 0.00 0.00 178.83 178.60 1vhb h VAL 136 N 0.08 1.12 -0.50 -0.54 2.07 -1.05 -1.46 116.25 115.96 1vhb h VAL 136 Ca 0.05 -0.23 -0.12 0.00 0.82 0.00 0.00 66.70 67.22 1vhb h VAL 136 Cb 0.30 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1vhb h VAL 136 CO 0.00 0.12 -0.16 -0.33 0.02 0.00 0.00 177.57 177.23 1vhb h GLU 137 N 0.67 1.00 -0.84 1.57 5.08 -0.30 -1.69 114.58 120.07 1vhb h GLU 137 Ca 0.19 -0.40 0.08 0.00 -1.00 0.00 0.00 59.36 58.23 1vhb h GLU 137 Cb -0.06 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.08 1vhb h GLU 137 CO -0.05 1.08 0.55 0.00 -1.00 0.00 0.00 179.01 179.59 1vhb h ALA 138 N 0.89 1.65 -0.10 3.43 0.00 0.29 0.88 119.26 126.30 1vhb h ALA 138 Ca 0.12 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 1vhb h ALA 138 Cb 0.73 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1vhb h ALA 138 CO 0.06 0.19 -0.56 -0.44 0.00 0.00 0.00 179.25 178.50 1vhb h ASP 139 N 0.85 0.33 -0.36 0.00 3.32 -0.95 -0.26 116.42 119.35 1vhb h ASP 139 Ca 0.38 -0.18 -0.17 0.00 0.02 0.00 0.00 57.03 57.08 1vhb h ASP 139 Cb 0.35 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 1vhb h ASP 139 CO -0.15 0.82 -0.42 -0.07 -1.72 0.00 0.00 179.24 177.70 1vhb h LEU 140 N 0.23 1.00 -0.31 1.55 -0.00 -0.24 0.20 115.31 117.74 1vhb h LEU 140 Ca 0.00 -0.48 -0.02 0.00 -0.00 0.00 0.00 57.88 57.39 1vhb h LEU 140 Cb 1.05 -0.28 -0.01 0.00 -0.00 0.00 0.00 40.66 41.42 1vhb h LEU 140 CO 0.09 1.28 0.12 1.88 -0.00 0.00 0.00 178.44 181.81 1vhb h TYR 141 N 0.75 0.48 -0.56 1.13 0.05 -0.57 -2.45 116.97 115.81 1vhb h TYR 141 Ca 0.05 -0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.80 1vhb h TYR 141 Cb 1.02 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 38.59 1vhb h TYR 141 CO 0.07 0.46 0.36 0.00 -1.05 0.00 0.00 178.16 178.00 1vhb h ALA 142 N 0.97 0.71 0.00 3.88 0.00 -0.87 -1.47 119.26 122.48 1vhb h ALA 142 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1vhb h ALA 142 Cb 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1vhb h ALA 142 CO -0.01 0.13 0.00 1.96 0.00 0.00 0.00 179.25 181.33 1vhb h GLN 143 N 0.74 0.00 0.00 0.00 4.20 -0.39 -3.13 115.11 116.53 1vhb h GLN 143 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1vhb h GLN 143 Cb -0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1vhb h GLN 143 CO -0.05 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.11 1vhb h ALA 144 N 2.02 1.00 -0.01 3.87 0.00 -0.78 -3.51 119.26 121.85 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