#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 6.22 -0.87 -1.43 -4.77 -1.26 -4.93 116.67 109.64 3vhb s ASP 3 Ca 0.00 0.25 -0.24 0.00 -3.30 0.00 0.00 52.55 49.26 3vhb s ASP 3 Cb 0.00 -2.12 -0.18 0.00 -1.09 0.00 0.00 42.92 39.53 3vhb s ASP 3 CO 0.00 0.10 2.22 1.67 0.70 0.00 0.00 175.17 179.86 3vhb n GLN 4 N 3.92 0.32 0.00 2.11 -0.06 -1.26 0.58 117.38 122.99 3vhb n GLN 4 Ca -0.14 -1.03 0.00 0.00 -2.00 0.00 0.00 57.00 53.83 3vhb n GLN 4 Cb 0.52 -3.42 0.00 0.00 -4.06 0.00 0.00 30.24 23.27 3vhb n GLN 4 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 3vhb n GLN 5 N 8.08 0.00 0.01 3.69 7.27 -1.26 -4.74 117.38 130.44 3vhb n GLN 5 Ca 0.44 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 57.32 3vhb n GLN 5 Cb 0.42 0.00 -0.14 0.00 2.41 0.00 0.00 30.24 32.93 3vhb n GLN 5 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 3vhb h THR 6 N 0.00 1.49 -0.56 1.69 2.02 -0.27 -1.68 112.91 115.60 3vhb h THR 6 Ca 0.00 -2.47 0.08 0.00 0.77 0.00 0.00 66.41 64.79 3vhb h THR 6 Cb 0.00 3.14 -0.07 0.00 -1.74 0.00 0.00 68.15 69.49 3vhb h THR 6 CO 0.00 0.68 0.20 0.40 0.37 0.00 0.00 175.52 177.17 3vhb h ILE 7 N -0.52 0.79 -0.87 3.11 2.04 -1.47 0.16 117.51 120.75 3vhb h ILE 7 Ca -0.14 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 3vhb h ILE 7 Cb 1.51 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 3vhb h ILE 7 CO 0.09 0.07 0.52 0.78 0.00 0.00 0.00 178.15 179.62 3vhb h ASN 8 N 0.38 1.05 0.00 1.72 -0.26 -1.77 -1.93 115.58 114.78 3vhb h ASN 8 Ca 0.28 -0.06 -0.11 0.00 -0.56 0.00 0.00 56.30 55.84 3vhb h ASN 8 Cb 0.33 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.31 3vhb h ASN 8 CO -0.28 0.81 -0.34 0.40 -1.06 0.00 0.00 177.43 176.95 3vhb h ILE 9 N 1.21 1.29 0.41 2.81 2.04 -0.26 -2.24 117.51 122.76 3vhb h ILE 9 Ca 0.31 -1.45 -0.02 0.00 1.00 0.00 0.00 64.86 64.71 3vhb h ILE 9 Cb -0.05 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.53 3vhb h ILE 9 CO -0.06 0.45 -0.20 0.40 0.00 0.00 0.00 178.15 178.75 3vhb h ILE 10 N 0.40 0.59 -0.59 -0.67 1.08 -0.14 -2.31 117.51 115.88 3vhb h ILE 10 Ca 0.05 -0.21 0.07 0.00 -0.39 0.00 0.00 64.86 64.38 3vhb h ILE 10 Cb 0.80 0.70 -0.06 0.00 -3.07 0.00 0.00 36.82 35.19 3vhb h ILE 10 CO 0.06 0.04 0.26 0.11 -0.69 0.00 0.00 178.15 177.94 3vhb h LYS 11 N -0.68 0.47 -0.75 2.37 1.57 -1.37 -0.80 116.57 117.39 3vhb h LYS 11 Ca -0.06 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3vhb h LYS 11 Cb 0.49 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.66 3vhb h LYS 11 CO 0.09 0.31 0.44 0.00 -0.57 0.00 0.00 179.45 179.73 3vhb h ALA 12 N 1.36 1.37 0.00 3.86 0.00 -1.37 -3.26 119.26 121.22 3vhb h ALA 12 Ca 0.28 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3vhb h ALA 12 Cb 0.27 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3vhb h ALA 12 CO -0.24 0.54 -1.48 0.25 0.00 0.00 0.00 179.25 178.32 3vhb n THR 13 N -4.38 0.07 -0.35 0.00 -2.24 -0.87 -4.38 114.28 102.13 3vhb n THR 13 Ca 0.08 -0.32 0.12 0.00 -2.27 0.00 0.00 64.05 61.66 3vhb n THR 13 Cb 0.07 0.28 0.32 0.00 -2.10 0.00 0.00 70.33 68.91 3vhb n THR 13 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3vhb h VAL 14 N 0.00 0.73 -0.22 2.28 3.04 -1.20 0.09 116.25 120.98 3vhb h VAL 14 Ca 0.00 -0.27 -0.00 0.00 -1.01 0.00 0.00 66.70 65.42 3vhb h VAL 14 Cb 0.81 -0.12 -0.01 0.00 -2.01 0.00 0.00 31.29 29.97 3vhb h VAL 14 CO 0.00 0.14 0.13 -0.65 -1.01 0.00 0.00 177.57 176.18 3vhb h PRO 15 N 0.78 0.30 0.08 4.17 0.11 -1.77 0.36 132.00 136.03 3vhb h PRO 15 Ca 0.56 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.66 3vhb h PRO 15 Cb 0.86 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.88 3vhb h PRO 15 CO -0.36 0.26 -0.18 0.28 -0.21 0.00 0.00 178.00 177.80 3vhb h VAL 16 N 0.26 0.59 -0.63 3.15 2.07 -1.29 -1.47 116.25 118.94 3vhb h VAL 16 Ca 0.08 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.68 3vhb h VAL 16 Cb 0.04 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 3vhb h VAL 16 CO -0.01 0.00 0.28 -0.07 0.02 0.00 0.00 177.57 177.79 3vhb h LEU 17 N -0.33 0.35 -1.04 2.57 3.38 -0.88 -2.15 115.31 117.20 3vhb h LEU 17 Ca 0.03 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3vhb h LEU 17 Cb 0.36 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.07 3vhb h LEU 17 CO -0.12 0.21 0.60 0.50 0.09 0.00 0.00 178.44 179.72 3vhb h LYS 18 N 0.51 1.24 -0.78 1.13 3.11 0.08 -2.13 116.57 119.73 3vhb h LYS 18 Ca 0.30 -0.09 0.12 0.00 -2.81 0.00 0.00 60.65 58.17 3vhb h LYS 18 Cb 0.32 -0.27 -0.08 0.00 -1.00 0.00 0.00 32.23 31.19 3vhb h LYS 18 CO -0.26 0.84 0.39 1.49 -2.81 0.00 0.00 179.45 179.10 3vhb h GLU 19 N 1.27 0.60 -0.62 1.90 4.57 -0.59 -1.12 114.58 120.59 3vhb h GLU 19 Ca 0.34 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 3vhb h GLU 19 Cb -0.11 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.34 3vhb h GLU 19 CO -0.07 0.40 0.00 0.72 -1.18 0.00 0.00 179.01 178.88 3vhb n HIS 20 N -4.87 1.02 -0.27 0.92 -0.00 -1.02 -4.67 115.22 106.33 3vhb n HIS 20 Ca 0.14 -0.40 -0.07 0.00 -0.00 0.00 0.00 57.72 57.40 3vhb n HIS 20 Cb 0.35 -0.20 -0.02 0.00 -0.00 0.00 0.00 29.99 30.11 3vhb n HIS 20 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 3vhb h GLY 21 N 4.65 -0.35 -0.38 -1.41 0.00 -0.53 -1.55 103.07 103.49 3vhb h GLY 21 Ca 0.00 0.57 0.07 0.00 0.00 0.00 0.00 47.33 47.97 3vhb h GLY 21 CO 0.17 -0.15 -0.47 -2.08 0.00 0.00 0.00 176.54 174.01 3vhb h VAL 22 N -0.15 0.07 -0.84 4.60 2.07 -1.83 0.22 116.25 120.40 3vhb h VAL 22 Ca 0.22 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.74 3vhb h VAL 22 Cb 0.55 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 3vhb h VAL 22 CO -0.78 0.00 0.51 0.74 0.02 0.00 0.00 177.57 178.06 3vhb h THR 23 N -0.33 1.23 -0.41 2.57 2.02 -1.78 -1.97 112.91 114.24 3vhb h THR 23 Ca 0.13 -0.50 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 3vhb h THR 23 Cb 0.58 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 3vhb h THR 23 CO -0.61 0.24 0.19 0.40 0.37 0.00 0.00 175.52 176.11 3vhb h ILE 24 N 1.15 1.18 0.15 3.11 2.04 -0.31 -1.08 117.51 123.74 3vhb h ILE 24 Ca 0.30 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.65 3vhb h ILE 24 Cb -0.05 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 3vhb h ILE 24 CO -0.06 0.20 -0.43 0.74 0.00 0.00 0.00 178.15 178.60 3vhb h THR 25 N 0.53 0.14 -0.52 -0.27 2.02 0.09 0.65 112.91 115.55 3vhb h THR 25 Ca 0.14 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.28 3vhb h THR 25 Cb 0.14 0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.67 3vhb h THR 25 CO -0.02 0.00 0.16 0.71 0.37 0.00 0.00 175.52 176.74 3vhb h THR 26 N -0.69 1.23 -0.68 3.16 1.35 -1.32 -1.14 112.91 114.82 3vhb h THR 26 Ca 0.01 -0.79 -0.04 0.00 -0.55 0.00 0.00 66.41 65.04 3vhb h THR 26 Cb 0.70 0.76 -0.03 0.00 -1.73 0.00 0.00 68.15 67.85 3vhb h THR 26 CO -0.23 0.29 0.28 0.74 -0.25 0.00 0.00 175.52 176.35 3vhb h THR 27 N 0.72 1.23 0.40 6.82 2.02 -1.10 -2.23 112.91 120.77 3vhb h THR 27 Ca 0.17 -0.72 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 3vhb h THR 27 Cb 0.29 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 3vhb h THR 27 CO -0.00 0.29 -0.24 0.15 0.37 0.00 0.00 175.52 176.08 3vhb h PHE 28 N 0.98 -0.64 0.15 3.16 3.57 0.13 -2.84 116.94 121.45 3vhb h PHE 28 Ca 0.23 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.73 3vhb h PHE 28 Cb 0.17 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 3vhb h PHE 28 CO 0.01 -0.38 -0.14 1.88 -2.23 0.00 0.00 178.31 177.45 3vhb h TYR 29 N -0.62 -0.36 -0.66 0.41 0.05 -1.18 0.18 116.97 114.79 3vhb h TYR 29 Ca -0.04 0.00 0.13 0.00 0.05 0.00 0.00 58.73 58.87 3vhb h TYR 29 Cb 0.51 0.14 -0.12 0.00 1.01 0.00 0.00 36.73 38.26 3vhb h TYR 29 CO -0.09 -0.22 -0.15 -0.22 -1.05 0.00 0.00 178.16 176.43 3vhb h LYS 30 N -0.32 0.01 -0.23 4.88 3.64 -1.48 -0.99 116.57 122.08 3vhb h LYS 30 Ca 0.00 -0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 3vhb h LYS 30 Cb 0.30 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3vhb h LYS 30 CO -0.03 0.00 -0.51 -0.91 -2.27 0.00 0.00 179.45 175.74 3vhb h ASN 31 N 0.01 0.71 0.94 4.20 2.35 -1.34 0.19 115.58 122.63 3vhb h ASN 31 Ca 0.32 -0.36 -0.05 0.00 -0.55 0.00 0.00 56.30 55.66 3vhb h ASN 31 Cb 0.49 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.67 3vhb h ASN 31 CO -0.67 1.09 -0.46 0.25 -1.65 0.00 0.00 177.43 175.99 3vhb h LEU 32 N 0.51 -1.09 -1.21 1.61 5.85 0.61 -1.04 115.31 120.55 3vhb h LEU 32 Ca 0.02 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 3vhb h LEU 32 Cb 1.06 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 3vhb h LEU 32 CO 0.10 -0.77 -0.10 -0.26 -0.34 0.00 0.00 178.44 177.07 3vhb h PHE 33 N -1.27 0.45 0.48 1.25 0.04 -1.32 -1.67 116.94 114.89 3vhb h PHE 33 Ca -0.13 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.56 3vhb h PHE 33 Cb 0.98 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.01 3vhb h PHE 33 CO 0.01 0.52 -0.23 0.00 -0.60 0.00 0.00 178.31 178.01 3vhb h ALA 34 N 1.50 -0.87 0.00 2.45 0.00 -0.59 -3.32 119.26 118.43 3vhb h ALA 34 Ca 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3vhb h ALA 34 Cb 0.43 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3vhb h ALA 34 CO 0.02 -0.82 -0.03 0.87 0.00 0.00 0.00 179.25 179.29 3vhb h LYS 35 N -0.86 0.00 -2.62 0.00 1.79 -1.18 -3.38 116.57 110.31 3vhb h LYS 35 Ca -0.07 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.81 3vhb h LYS 35 Cb 0.50 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 30.76 3vhb h LYS 35 CO 0.11 0.03 -0.85 -1.01 -1.08 0.00 0.00 179.45 176.64 3vhb s HIS 36 N -4.68 1.39 0.37 -1.35 3.76 -0.63 -5.00 115.29 109.15 3vhb s HIS 36 Ca -0.05 -2.24 0.09 0.00 -0.15 0.00 0.00 55.06 52.72 3vhb s HIS 36 Cb 0.15 -1.28 0.73 0.00 1.11 0.00 0.00 32.58 33.29 3vhb s HIS 36 CO 0.59 -0.79 1.88 -1.00 -0.85 0.00 0.00 174.74 174.57 3vhb h PRO 37 N 6.23 0.25 -0.06 8.40 0.13 -1.76 -2.96 132.00 142.22 3vhb h PRO 37 Ca 0.14 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 65.23 3vhb h PRO 37 Cb 0.92 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.01 3vhb h PRO 37 CO 0.39 0.42 0.12 1.05 -0.23 0.00 0.00 178.00 179.75 3vhb h GLU 38 N 0.23 0.00 -0.01 0.86 9.09 -1.94 -2.25 114.58 120.56 3vhb h GLU 38 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.45 3vhb h GLU 38 Cb 0.44 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.54 3vhb h GLU 38 CO 0.03 0.00 -0.44 1.33 0.05 0.00 0.00 179.01 179.98 3vhb n VAL 39 N -3.48 0.00 0.11 -1.06 0.24 -1.12 -4.08 118.33 108.95 3vhb n VAL 39 Ca -0.01 -0.15 0.04 0.00 -2.04 0.00 0.00 64.34 62.17 3vhb n VAL 39 Cb 0.20 0.76 0.44 0.00 -1.47 0.00 0.00 33.84 33.77 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 1.40 0.27 0.00 7.34 3.08 -1.56 -1.77 114.38 123.14 3vhb h ARG 40 Ca 0.00 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3vhb h ARG 40 Cb 0.60 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.60 3vhb h ARG 40 CO 0.00 0.32 -0.11 -1.35 -1.07 0.00 0.00 179.97 177.76 3vhb h PRO 41 N 0.26 0.00 0.00 0.04 0.11 -1.76 -2.15 132.00 128.51 3vhb h PRO 41 Ca 0.06 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.08 3vhb h PRO 41 Cb 0.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.32 3vhb h PRO 41 CO 0.01 0.11 -0.43 -0.07 -0.21 0.00 0.00 178.00 177.41 3vhb h LEU 42 N 0.00 0.00 0.00 2.35 3.38 -1.59 -3.53 115.31 115.92 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 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3vhb h LEU 42 CO 0.01 0.43 0.00 0.49 0.09 0.00 0.00 178.44 179.46 3vhb n PHE 43 N -3.88 -1.45 -2.85 1.13 3.72 -0.81 -4.96 117.46 108.36 3vhb n PHE 43 Ca -0.01 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.15 3vhb n PHE 43 Cb 0.48 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.00 3vhb n PHE 43 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 3vhb n GLN 53 N -0.48 2.65 -1.43 -1.08 7.27 -1.26 -5.05 117.38 118.00 3vhb n GLN 53 Ca 0.00 -4.34 -0.58 0.00 0.07 0.00 0.00 57.00 52.15 3vhb n GLN 53 Cb 0.00 -2.04 -0.10 0.00 2.41 0.00 0.00 30.24 30.51 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 -0.18 0.49 0.29 3.69 -0.04 -1.26 -4.81 135.00 133.17 3vhb n PRO 54 Ca 0.30 0.15 0.16 0.00 -0.04 0.00 0.00 63.50 64.07 3vhb n PRO 54 Cb 0.55 -1.87 0.91 0.00 -0.04 0.00 0.00 33.50 33.04 3vhb n PRO 54 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3vhb h LYS 55 N 9.31 0.00 -0.51 0.54 1.79 -2.05 -3.01 116.57 122.64 3vhb h LYS 55 Ca -0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 3vhb h LYS 55 Cb 1.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.02 3vhb h LYS 55 CO 1.04 0.04 0.00 0.00 -1.08 0.00 0.00 179.45 179.45 3vhb n ALA 56 N -2.24 2.68 -0.26 3.86 0.00 -1.26 -4.20 120.51 119.10 3vhb n ALA 56 Ca -0.02 -0.77 -0.06 0.00 0.00 0.00 0.00 53.44 52.59 3vhb n ALA 56 Cb 0.15 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 18.65 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 2.17 0.96 -0.19 0.00 7.12 -1.92 0.14 115.31 123.59 3vhb h LEU 57 Ca 0.00 -0.16 -0.22 0.00 0.13 0.00 0.00 57.88 57.63 3vhb h LEU 57 Cb 0.75 -0.25 -0.00 0.00 -0.53 0.00 0.00 40.66 40.63 3vhb h LEU 57 CO 0.08 0.85 -0.94 0.00 -0.13 0.00 0.00 178.44 178.30 3vhb h ALA 58 N 1.15 0.40 -0.09 1.25 0.00 -1.86 -2.68 119.26 117.41 3vhb h ALA 58 Ca 0.24 -0.72 -0.24 0.00 0.00 0.00 0.00 54.91 54.18 3vhb h ALA 58 Cb 0.17 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.94 3vhb h ALA 58 CO -0.02 0.85 -0.88 0.52 0.00 0.00 0.00 179.25 179.72 3vhb h MET 59 N 0.18 0.76 0.02 0.00 2.86 -1.80 -1.48 114.93 115.47 3vhb h MET 59 Ca -0.07 -0.69 0.02 0.00 -2.06 0.00 0.00 59.70 56.89 3vhb h MET 59 Cb 1.58 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 33.38 3vhb h MET 59 CO 0.16 1.29 -0.11 1.15 1.06 0.00 0.00 176.91 180.46 3vhb h THR 60 N 0.49 0.74 -0.02 2.22 2.02 -1.00 1.23 112.91 118.58 3vhb h THR 60 Ca -0.08 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.12 3vhb h THR 60 Cb 1.52 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.64 3vhb h THR 60 CO 0.18 0.00 -0.13 0.58 0.37 0.00 0.00 175.52 176.52 3vhb h VAL 61 N -0.19 0.68 -0.78 3.16 2.07 -1.40 0.28 116.25 120.07 3vhb h VAL 61 Ca 0.03 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.64 3vhb h VAL 61 Cb 0.23 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 30.61 3vhb h VAL 61 CO -0.09 0.00 0.43 -0.07 0.02 0.00 0.00 177.57 177.86 3vhb h LEU 62 N -0.20 0.62 -0.67 2.57 3.38 -1.01 0.18 115.31 120.18 3vhb h LEU 62 Ca 0.05 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.15 3vhb h LEU 62 Cb 0.27 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 3vhb h LEU 62 CO -0.14 0.36 0.33 0.00 0.09 0.00 0.00 178.44 179.08 3vhb h ALA 63 N 1.43 0.90 -0.18 1.53 0.00 0.22 -1.91 119.26 121.26 3vhb h ALA 63 Ca 0.37 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.30 3vhb h ALA 63 Cb 0.33 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3vhb h ALA 63 CO -0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 179.25 178.95 3vhb h ALA 64 N 1.39 0.24 -0.37 0.00 0.00 0.11 -2.50 119.26 118.13 3vhb h ALA 64 Ca 0.32 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.12 3vhb h ALA 64 Cb 0.30 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3vhb h ALA 64 CO -0.24 -0.03 0.27 0.00 0.00 0.00 0.00 179.25 179.24 3vhb h ALA 65 N 0.76 2.34 0.23 0.00 0.00 -0.34 0.27 119.26 122.52 3vhb h ALA 65 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3vhb h ALA 65 Cb 0.41 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3vhb h ALA 65 CO 0.01 -0.46 -0.16 0.37 0.00 0.00 0.00 179.25 179.02 3vhb h GLN 66 N 0.00 -0.37 -1.01 0.00 4.15 -0.90 -2.05 115.11 114.93 3vhb h GLN 66 Ca 0.17 0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.49 3vhb h GLN 66 Cb 0.71 0.08 -0.07 0.00 0.21 0.00 0.00 27.48 28.41 3vhb h GLN 66 CO -0.00 -0.25 0.16 0.09 -1.93 0.00 0.00 178.83 176.90 3vhb n ASN 67 N -5.28 3.22 0.24 -0.69 4.13 0.89 -4.43 115.26 113.34 3vhb n ASN 67 Ca -0.09 -2.39 0.17 0.00 1.68 0.00 0.00 54.58 53.95 3vhb n ASN 67 Cb 0.20 -0.59 0.79 0.00 -1.54 0.00 0.00 39.78 38.64 3vhb n ASN 67 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 3vhb h ILE 68 N 0.25 0.00 0.00 2.41 6.09 -0.71 0.27 117.51 125.82 3vhb h ILE 68 Ca 0.15 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 63.44 3vhb h ILE 68 Cb 1.44 1.05 0.00 0.00 0.47 0.00 0.00 36.82 39.79 3vhb h ILE 68 CO 0.27 0.00 -0.47 -0.62 -3.07 0.00 0.00 178.15 174.26 3vhb n GLU 69 N -2.75 0.14 -3.00 2.19 1.02 -1.26 -4.35 120.64 112.63 3vhb n GLU 69 Ca -0.01 0.05 -0.14 0.00 -0.02 0.00 0.00 57.16 57.04 3vhb n GLU 69 Cb 0.17 -1.60 0.01 0.00 -0.02 0.00 0.00 31.44 30.00 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 -1.80 0.30 -0.04 1.62 5.15 0.01 -4.97 115.26 115.53 3vhb n ASN 70 Ca 0.05 -3.04 0.24 0.00 -0.60 0.00 0.00 54.58 51.22 3vhb n ASN 70 Cb 0.39 -0.11 0.72 0.00 -0.53 0.00 0.00 39.78 40.24 3vhb n ASN 70 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3vhb h LEU 71 N 2.95 0.00 -1.99 1.20 3.38 -1.55 0.12 115.31 119.42 3vhb h LEU 71 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3vhb h LEU 71 Cb 1.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 3vhb h LEU 71 CO 0.41 0.00 -0.08 -0.65 0.09 0.00 0.00 178.44 178.22 3vhb h PRO 72 N 0.00 0.00 -0.95 1.13 0.11 -1.93 -0.48 132.00 129.88 3vhb h PRO 72 Ca 0.30 0.00 0.23 0.00 0.11 0.00 0.00 66.00 66.64 3vhb h PRO 72 Cb 1.37 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.41 3vhb h PRO 72 CO -0.00 0.08 0.63 0.00 -0.21 0.00 0.00 178.00 178.49 3vhb h ALA 73 N 1.92 2.30 -0.00 -0.75 0.00 -1.11 -1.94 119.26 119.68 3vhb h ALA 73 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3vhb h ALA 73 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3vhb h ALA 73 CO 0.01 -0.62 -0.16 0.44 0.00 0.00 0.00 179.25 178.92 3vhb n ILE 74 N -4.50 0.00 -0.27 0.00 -5.35 -0.19 -4.42 119.36 104.62 3vhb n ILE 74 Ca 0.21 -0.02 0.09 0.00 -0.27 0.00 0.00 62.75 62.76 3vhb n ILE 74 Cb 0.78 -0.17 0.23 0.00 -1.74 0.00 0.00 39.64 38.74 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 0.20 -0.03 -1.16 7.28 3.38 -1.44 -0.56 115.31 122.98 3vhb h LEU 75 Ca 0.00 0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.16 3vhb h LEU 75 Cb 0.44 0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 3vhb h LEU 75 CO 0.00 -0.10 0.57 -0.65 0.09 0.00 0.00 178.44 178.34 3vhb h PRO 76 N 0.23 1.12 0.21 1.13 0.11 -1.82 0.49 132.00 133.47 3vhb h PRO 76 Ca 0.48 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.51 3vhb h PRO 76 Cb 0.89 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3vhb h PRO 76 CO -0.60 0.74 -0.10 0.00 -0.21 0.00 0.00 178.00 177.83 3vhb h ALA 77 N 1.47 -0.29 -1.05 -0.75 0.00 -1.47 -2.63 119.26 114.54 3vhb h ALA 77 Ca 0.32 -0.21 0.30 0.00 0.00 0.00 0.00 54.91 55.32 3vhb h ALA 77 Cb -0.12 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 17.65 3vhb h ALA 77 CO -0.07 -0.42 0.64 0.28 0.00 0.00 0.00 179.25 179.68 3vhb h VAL 78 N -0.76 0.41 -0.33 0.00 2.07 -1.05 0.75 116.25 117.34 3vhb h VAL 78 Ca -0.03 -0.13 -0.15 0.00 0.82 0.00 0.00 66.70 67.20 3vhb h VAL 78 Cb 0.51 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3vhb h VAL 78 CO 0.05 0.07 -0.40 0.50 0.02 0.00 0.00 177.57 177.80 3vhb h LYS 79 N 0.39 0.80 -0.23 1.57 1.63 0.26 -1.88 116.57 119.11 3vhb h LYS 79 Ca 0.68 -0.42 -0.19 0.00 -0.85 0.00 0.00 60.65 59.87 3vhb h LYS 79 Cb 1.60 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 33.25 3vhb h LYS 79 CO -0.46 1.06 -0.59 -0.22 -3.45 0.00 0.00 179.45 175.79 3vhb h LYS 80 N 0.65 0.76 0.39 1.90 3.64 -0.52 -3.18 116.57 120.21 3vhb h LYS 80 Ca 0.05 -0.51 -0.02 0.00 -1.27 0.00 0.00 60.65 58.91 3vhb h LYS 80 Cb 0.97 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 3vhb h LYS 80 CO 0.09 1.13 -0.19 0.82 -2.27 0.00 0.00 179.45 179.04 3vhb h ILE 81 N 0.57 0.62 -0.96 2.00 2.04 -1.37 -3.16 117.51 117.26 3vhb h ILE 81 Ca 0.00 -0.21 0.29 0.00 1.00 0.00 0.00 64.86 65.94 3vhb h ILE 81 Cb 1.18 0.73 -0.17 0.00 -0.74 0.00 0.00 36.82 37.82 3vhb h ILE 81 CO 0.12 0.04 0.18 0.00 0.00 0.00 0.00 178.15 178.50 3vhb h ALA 82 N -0.07 1.38 -0.92 1.87 0.00 -1.41 0.63 119.26 120.74 3vhb h ALA 82 Ca -0.05 0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3vhb h ALA 82 Cb 0.47 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3vhb h ALA 82 CO 0.09 -0.61 0.52 0.28 0.00 0.00 0.00 179.25 179.53 3vhb h VAL 83 N 0.07 1.26 -0.17 0.00 2.07 -1.52 0.16 116.25 118.12 3vhb h VAL 83 Ca 0.63 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 3vhb h VAL 83 Cb 1.38 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3vhb h VAL 83 CO -0.82 0.29 0.03 0.11 0.02 0.00 0.00 177.57 177.20 3vhb h LYS 84 N 1.28 0.28 -0.42 1.57 6.56 0.14 -1.57 116.57 124.41 3vhb h LYS 84 Ca 0.33 -0.07 0.05 0.00 -1.06 0.00 0.00 60.65 59.89 3vhb h LYS 84 Cb -0.00 -0.03 -0.05 0.00 -0.57 0.00 0.00 32.23 31.58 3vhb h LYS 84 CO -0.06 0.45 0.14 0.45 -2.06 0.00 0.00 179.45 178.37 3vhb h HIS 85 N 0.06 0.25 -0.19 -1.35 3.86 -0.75 -0.91 115.15 116.12 3vhb h HIS 85 Ca 0.05 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.17 3vhb h HIS 85 Cb 0.31 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 3vhb h HIS 85 CO 0.02 0.09 -0.36 0.00 0.86 0.00 0.00 177.93 178.54 3vhb h GLN 87 N 0.34 0.00 -0.01 0.00 4.20 -0.41 -2.90 115.11 116.33 3vhb h GLN 87 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3vhb h GLN 87 Cb 0.79 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.57 3vhb h GLN 87 CO 0.06 0.18 -0.52 0.00 -0.67 0.00 0.00 178.83 177.89 3vhb n ALA 88 N -2.24 3.66 -2.21 3.87 0.00 -0.43 -4.98 120.51 118.18 3vhb n ALA 88 Ca -0.01 -0.53 -0.01 0.00 0.00 0.00 0.00 53.44 52.89 3vhb n ALA 88 Cb 0.35 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 1.42 0.51 3.77 0.00 0.00 -0.44 -4.81 105.19 105.65 3vhb n GLY 89 Ca 0.09 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.40 2.67 0.14 1.61 1.01 -0.43 -5.03 120.40 117.97 3vhb s VAL 90 Ca 0.01 0.66 0.10 0.00 0.00 0.00 0.00 61.98 62.74 3vhb s VAL 90 Cb -0.01 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 3vhb s VAL 90 CO 0.01 0.15 -0.22 0.00 0.00 0.00 0.00 175.10 175.04 3vhb s ALA 91 N -0.99 2.15 0.39 5.51 0.00 -1.26 -4.81 121.76 122.74 3vhb s ALA 91 Ca 0.50 -1.44 0.14 0.00 0.00 0.00 0.00 51.96 51.16 3vhb s ALA 91 Cb -0.40 -0.28 0.97 0.00 0.00 0.00 0.00 23.12 23.40 3vhb s ALA 91 CO 0.52 0.39 1.85 0.00 0.00 0.00 0.00 175.76 178.53 3vhb h ALA 92 N 3.66 2.04 0.00 0.00 0.00 -1.95 0.44 119.26 123.44 3vhb h ALA 92 Ca -0.47 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3vhb h ALA 92 Cb 1.19 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3vhb h ALA 92 CO 0.44 -0.32 -0.10 0.00 0.00 0.00 0.00 179.25 179.27 3vhb h ALA 93 N 1.61 1.69 0.00 0.00 0.00 -2.01 -1.03 119.26 119.52 3vhb h ALA 93 Ca 0.47 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.18 3vhb h ALA 93 Cb 0.99 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3vhb h ALA 93 CO -0.20 0.12 -0.51 0.45 0.00 0.00 0.00 179.25 179.12 3vhb h HIS 94 N 0.00 0.00 -0.85 0.00 -0.00 -0.52 -3.35 115.15 110.43 3vhb h HIS 94 Ca -0.00 0.00 0.22 0.00 -0.00 0.00 0.00 60.37 60.58 3vhb h HIS 94 Cb 0.19 0.00 -0.13 0.00 -0.00 0.00 0.00 27.41 27.47 3vhb h HIS 94 CO 0.00 0.51 0.26 1.88 -0.00 0.00 0.00 177.93 180.57 3vhb h TYR 95 N 0.00 0.40 -0.20 2.45 -1.99 -1.04 -2.67 116.97 113.93 3vhb h TYR 95 Ca -0.01 0.05 -0.04 0.00 2.00 0.00 0.00 58.73 60.73 3vhb h TYR 95 Cb 1.20 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.88 3vhb h TYR 95 CO 0.00 -0.15 -0.07 -1.35 -0.00 0.00 0.00 178.16 176.59 3vhb h PRO 96 N 0.26 0.30 -0.03 4.88 0.11 -1.73 -2.34 132.00 133.46 3vhb h PRO 96 Ca 0.52 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.56 3vhb h PRO 96 Cb 1.01 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 3vhb h PRO 96 CO -0.60 0.39 -0.03 0.82 -0.21 0.00 0.00 178.00 178.37 3vhb h ILE 97 N 0.29 1.40 -0.35 4.15 2.04 -1.70 -0.89 117.51 122.44 3vhb h ILE 97 Ca 0.06 -1.23 0.08 0.00 1.00 0.00 0.00 64.86 64.77 3vhb h ILE 97 Cb 0.32 2.17 -0.08 0.00 -0.74 0.00 0.00 36.82 38.48 3vhb h ILE 97 CO 0.01 0.33 -0.24 0.58 0.00 0.00 0.00 178.15 178.83 3vhb h VAL 98 N -0.41 0.36 -0.62 1.67 2.07 -1.43 0.14 116.25 118.02 3vhb h VAL 98 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 3vhb h VAL 98 Cb 0.55 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3vhb h VAL 98 CO 0.01 0.00 0.28 1.23 0.02 0.00 0.00 177.57 179.11 3vhb h GLY 99 N -0.20 0.95 0.88 2.17 0.00 -1.45 0.42 103.07 105.85 3vhb h GLY 99 Ca 0.17 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 3vhb h GLY 99 CO -0.47 0.44 0.08 -1.61 0.00 0.00 0.00 176.54 174.98 3vhb h GLN 100 N 0.88 0.35 -0.33 4.80 4.15 -0.45 -1.28 115.11 123.23 3vhb h GLN 100 Ca 0.21 -0.07 -0.11 0.00 0.77 0.00 0.00 58.65 59.45 3vhb h GLN 100 Cb 0.12 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 3vhb h GLN 100 CO -0.02 0.43 -0.25 0.93 -1.93 0.00 0.00 178.83 177.98 3vhb h GLU 101 N 0.20 0.65 -0.22 1.69 4.39 0.38 -2.49 114.58 119.18 3vhb h GLU 101 Ca 0.07 -0.26 -0.08 0.00 0.34 0.00 0.00 59.36 59.44 3vhb h GLU 101 Cb 0.22 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 3vhb h GLU 101 CO -0.00 0.84 -0.17 1.25 -1.16 0.00 0.00 179.01 179.77 3vhb h LEU 102 N 0.57 0.52 -1.59 1.33 5.85 -0.17 -2.41 115.31 119.41 3vhb h LEU 102 Ca 0.08 -0.45 -0.04 0.00 0.84 0.00 0.00 57.88 58.30 3vhb h LEU 102 Cb 0.72 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3vhb h LEU 102 CO 0.06 0.86 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.74 3vhb h LEU 103 N 0.19 0.00 -0.15 2.25 -0.00 -1.25 0.49 115.31 116.84 3vhb h LEU 103 Ca 0.04 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.82 3vhb h LEU 103 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.35 3vhb h LEU 103 CO 0.04 0.21 -0.31 1.23 -0.00 0.00 0.00 178.44 179.61 3vhb h GLY 104 N 1.11 0.52 1.00 0.83 0.00 -1.35 -2.60 103.07 102.58 3vhb h GLY 104 Ca -0.00 -0.62 -0.00 0.00 0.00 0.00 0.00 47.33 46.70 3vhb h GLY 104 CO 0.03 0.56 -0.02 0.00 0.00 0.00 0.00 176.54 177.10 3vhb h ALA 105 N 0.55 -0.07 -0.87 3.60 0.00 -0.92 0.12 119.26 121.68 3vhb h ALA 105 Ca 0.00 -0.02 0.23 0.00 0.00 0.00 0.00 54.91 55.13 3vhb h ALA 105 Cb 0.91 0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.58 3vhb h ALA 105 CO 0.07 -0.53 0.17 0.82 0.00 0.00 0.00 179.25 179.77 3vhb h ILE 106 N -0.07 0.28 0.00 0.00 2.04 -0.85 0.91 117.51 119.82 3vhb h ILE 106 Ca -0.01 -0.06 -0.22 0.00 1.00 0.00 0.00 64.86 65.58 3vhb h ILE 106 Cb 0.05 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.21 3vhb h ILE 106 CO 0.01 0.03 -1.21 0.50 0.00 0.00 0.00 178.15 177.48 3vhb h LYS 107 N 0.16 0.00 0.00 2.37 3.64 -1.06 -1.67 116.57 120.01 3vhb h LYS 107 Ca 0.53 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.91 3vhb h LYS 107 Cb 1.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 3vhb h LYS 107 CO -0.69 0.67 0.00 -1.91 -2.27 0.00 0.00 179.45 175.25 3vhb n GLU 108 N -3.17 0.16 -0.07 1.90 2.13 -0.01 -2.87 120.64 118.71 3vhb n GLU 108 Ca -0.06 0.19 -0.08 0.00 0.66 0.00 0.00 57.16 57.87 3vhb n GLU 108 Cb 0.93 -1.71 -0.08 0.00 0.27 0.00 0.00 31.44 30.85 3vhb n GLU 108 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3vhb n VAL 109 N -1.98 0.84 -0.09 6.31 0.31 0.16 -4.56 118.33 119.33 3vhb n VAL 109 Ca 0.05 -0.43 -0.14 0.00 -0.01 0.00 0.00 64.34 63.81 3vhb n VAL 109 Cb 0.35 -0.83 -0.04 0.00 -0.91 0.00 0.00 33.84 32.40 3vhb n VAL 109 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3vhb h LEU 110 N 0.00 0.86 0.00 7.52 3.38 -1.39 -3.49 115.31 122.18 3vhb h LEU 110 Ca -0.33 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.13 3vhb h LEU 110 Cb 1.65 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 42.15 3vhb h LEU 110 CO -0.01 1.20 0.00 0.61 0.09 0.00 0.00 178.44 180.33 3vhb n GLY 111 N 0.29 0.96 0.07 0.83 0.00 -1.14 -3.77 105.19 102.43 3vhb n GLY 111 Ca -0.04 -0.81 0.13 0.00 0.00 0.00 0.00 46.02 45.29 3vhb n GLY 111 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3vhb n ASP 112 N 5.54 0.50 0.15 1.61 8.00 -1.26 -2.14 116.55 128.94 3vhb n ASP 112 Ca 0.00 0.56 0.01 0.00 0.71 0.00 0.00 54.79 56.07 3vhb n ASP 112 Cb 0.00 -0.69 0.20 0.00 -0.02 0.00 0.00 41.12 40.61 3vhb n ASP 112 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3vhb h ALA 113 N 2.61 0.90 0.00 2.24 0.00 -1.97 -3.34 119.26 119.71 3vhb h ALA 113 Ca 0.00 -0.50 -0.17 0.00 0.00 0.00 0.00 54.91 54.24 3vhb h ALA 113 Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3vhb h ALA 113 CO 0.00 0.69 1.55 0.00 0.00 0.00 0.00 179.25 181.49 3vhb n ALA 114 N -2.35 2.78 -1.81 0.00 0.00 -0.91 -4.84 120.51 113.38 3vhb n ALA 114 Ca -0.00 -0.91 -0.41 0.00 0.00 0.00 0.00 53.44 52.12 3vhb n ALA 114 Cb 0.61 -2.67 -0.03 0.00 0.00 0.00 0.00 19.45 17.36 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 3.93 3.08 0.23 0.00 -4.23 -1.26 -4.81 115.64 112.58 3vhb s THR 115 Ca 0.19 1.05 0.04 0.00 -1.18 0.00 0.00 61.69 61.79 3vhb s THR 115 Cb 0.06 -3.67 0.30 0.00 1.34 0.00 0.00 72.50 70.53 3vhb s THR 115 CO -0.01 0.23 1.14 0.47 -0.54 0.00 0.00 174.62 175.91 3vhb n ASP 116 N 1.26 -0.03 0.08 3.99 9.92 -1.26 0.56 116.55 131.07 3vhb n ASP 116 Ca 0.01 1.23 -0.01 0.00 -0.53 0.00 0.00 54.79 55.49 3vhb n ASP 116 Cb 0.43 -0.47 0.28 0.00 -0.64 0.00 0.00 41.12 40.72 3vhb n ASP 116 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 3vhb h ASP 117 N 0.00 0.30 -0.21 -2.24 3.32 -1.97 0.47 116.42 116.09 3vhb h ASP 117 Ca 0.47 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.39 3vhb h ASP 117 Cb 1.03 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 3vhb h ASP 117 CO -0.67 0.57 -0.01 0.40 -1.72 0.00 0.00 179.24 177.81 3vhb h ILE 118 N 0.27 1.26 0.70 0.35 2.04 -0.24 0.19 117.51 122.09 3vhb h ILE 118 Ca 0.04 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 64.96 3vhb h ILE 118 Cb 0.61 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 3vhb h ILE 118 CO 0.04 0.28 -0.37 -0.07 0.00 0.00 0.00 178.15 178.03 3vhb h LEU 119 N 0.12 -0.90 -0.99 1.44 3.38 -1.11 -0.12 115.31 117.13 3vhb h LEU 119 Ca 0.06 0.04 0.25 0.00 0.09 0.00 0.00 57.88 58.32 3vhb h LEU 119 Cb 0.42 0.24 -0.13 0.00 0.09 0.00 0.00 40.66 41.29 3vhb h LEU 119 CO 0.01 -0.61 0.58 0.44 0.09 0.00 0.00 178.44 178.95 3vhb h ASP 120 N -0.99 0.63 -0.57 -0.43 3.32 0.02 0.46 116.42 118.86 3vhb h ASP 120 Ca -0.09 0.14 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 3vhb h ASP 120 Cb 0.77 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.35 3vhb h ASP 120 CO 0.13 0.07 -0.01 0.00 -1.72 0.00 0.00 179.24 177.72 3vhb h ALA 121 N 1.74 0.77 -0.01 3.45 0.00 -0.22 -1.13 119.26 123.86 3vhb h ALA 121 Ca 0.65 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 3vhb h ALA 121 Cb 1.26 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3vhb h ALA 121 CO -0.49 0.61 -0.36 -1.49 0.00 0.00 0.00 179.25 177.52 3vhb h TRP 122 N 0.91 0.02 0.46 0.00 4.06 0.16 -0.63 115.95 120.92 3vhb h TRP 122 Ca 0.16 -0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.09 3vhb h TRP 122 Cb 0.56 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.72 3vhb h TRP 122 CO 0.04 0.37 -0.22 0.78 -3.56 0.00 0.00 178.44 175.85 3vhb h GLY 123 N 1.08 -0.64 0.98 1.49 0.00 0.15 -0.49 103.07 105.64 3vhb h GLY 123 Ca -0.00 0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 3vhb h GLY 123 CO 0.05 -0.23 0.29 0.50 0.00 0.00 0.00 176.54 177.14 3vhb h LYS 124 N -0.74 0.69 -0.45 4.80 1.57 -0.98 -2.79 116.57 118.68 3vhb h LYS 124 Ca -0.06 -0.07 0.08 0.00 -1.87 0.00 0.00 60.65 58.73 3vhb h LYS 124 Cb 0.53 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.63 3vhb h LYS 124 CO 0.10 0.53 -0.00 0.00 -0.57 0.00 0.00 179.45 179.51 3vhb h ALA 125 N 1.13 0.42 -0.40 3.86 0.00 -0.91 -0.62 119.26 122.74 3vhb h ALA 125 Ca 0.18 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3vhb h ALA 125 Cb 0.03 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3vhb h ALA 125 CO -0.03 -0.39 0.18 -0.92 0.00 0.00 0.00 179.25 178.09 3vhb h TYR 126 N 0.11 0.58 -0.10 0.00 3.20 -0.96 -1.50 116.97 118.30 3vhb h TYR 126 Ca 0.22 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.10 3vhb h TYR 126 Cb 0.33 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.36 3vhb h TYR 126 CO -0.29 0.49 -0.43 0.78 -1.64 0.00 0.00 178.16 177.07 3vhb h GLY 127 N 0.50 -0.75 0.31 1.82 0.00 -1.09 1.72 103.07 105.58 3vhb h GLY 127 Ca 0.13 0.53 0.12 0.00 0.00 0.00 0.00 47.33 48.12 3vhb h GLY 127 CO -0.02 -0.23 0.39 -2.08 0.00 0.00 0.00 176.54 174.60 3vhb h VAL 128 N -0.52 0.76 -0.31 4.60 2.07 -1.02 -0.92 116.25 120.92 3vhb h VAL 128 Ca 0.07 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.28 3vhb h VAL 128 Cb 0.64 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3vhb h VAL 128 CO -0.38 0.11 -0.23 0.40 0.02 0.00 0.00 177.57 177.49 3vhb h ILE 129 N 0.59 1.30 -0.34 4.57 2.04 0.09 -3.24 117.51 122.53 3vhb h ILE 129 Ca 0.41 -1.37 0.06 0.00 1.00 0.00 0.00 64.86 64.97 3vhb h ILE 129 Cb 0.54 1.50 -0.06 0.00 -0.74 0.00 0.00 36.82 38.06 3vhb h ILE 129 CO -0.33 0.44 -0.04 0.00 0.00 0.00 0.00 178.15 178.22 3vhb h ALA 130 N 0.74 0.27 -0.65 1.87 0.00 0.38 -2.67 119.26 119.20 3vhb h ALA 130 Ca 0.06 0.11 0.19 0.00 0.00 0.00 0.00 54.91 55.27 3vhb h ALA 130 Cb 0.78 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3vhb h ALA 130 CO 0.06 -0.43 0.51 -0.44 0.00 0.00 0.00 179.25 178.95 3vhb h ASP 131 N 0.05 0.00 -0.29 0.00 3.32 -1.35 0.50 116.42 118.65 3vhb h ASP 131 Ca 0.16 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.04 3vhb h ASP 131 Cb 0.24 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 3vhb h ASP 131 CO -0.31 0.00 -0.49 0.58 -1.72 0.00 0.00 179.24 177.30 3vhb h VAL 132 N 0.00 1.28 -0.04 -1.35 2.07 -1.57 0.23 116.25 116.87 3vhb h VAL 132 Ca 0.31 -1.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 3vhb h VAL 132 Cb 1.33 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.65 3vhb h VAL 132 CO -0.00 0.55 -0.06 -0.26 0.02 0.00 0.00 177.57 177.81 3vhb h PHE 133 N 0.68 0.15 -0.96 1.57 0.04 -0.52 -2.39 116.94 115.51 3vhb h PHE 133 Ca 0.03 -0.05 0.12 0.00 2.80 0.00 0.00 57.97 60.87 3vhb h PHE 133 Cb 1.09 -0.03 -0.08 0.00 2.20 0.00 0.00 35.95 39.12 3vhb h PHE 133 CO 0.07 0.62 0.59 0.82 -0.60 0.00 0.00 178.31 179.80 3vhb h ILE 134 N -0.37 0.89 -0.10 -0.55 2.04 0.04 -0.89 117.51 118.57 3vhb h ILE 134 Ca 0.00 -0.31 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 3vhb h ILE 134 Cb 0.60 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 3vhb h ILE 134 CO 0.01 0.17 -0.03 1.56 0.00 0.00 0.00 178.15 179.86 3vhb h GLN 135 N 0.91 0.19 -0.76 2.37 1.08 -0.57 0.33 115.11 118.67 3vhb h GLN 135 Ca 0.48 -0.08 0.03 0.00 -1.45 0.00 0.00 58.65 57.63 3vhb h GLN 135 Cb 0.50 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.88 3vhb h GLN 135 CO -0.28 0.52 0.49 0.28 -0.95 0.00 0.00 178.83 178.89 3vhb h VAL 136 N -0.14 1.13 -0.20 -0.54 2.07 -1.15 0.22 116.25 117.64 3vhb h VAL 136 Ca 0.02 -0.33 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 3vhb h VAL 136 Cb 0.45 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3vhb h VAL 136 CO 0.01 0.18 -0.21 -0.33 0.02 0.00 0.00 177.57 177.23 3vhb h GLU 137 N 0.97 0.50 -0.80 1.57 5.08 -1.04 0.34 114.58 121.19 3vhb h GLU 137 Ca 0.30 -0.27 0.10 0.00 -1.00 0.00 0.00 59.36 58.49 3vhb h GLU 137 Cb -0.02 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 3vhb h GLU 137 CO -0.10 0.85 0.52 0.00 -1.00 0.00 0.00 179.01 179.28 3vhb h ALA 138 N 0.64 1.77 -0.00 3.43 0.00 -0.63 0.85 119.26 125.31 3vhb h ALA 138 Ca 0.03 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3vhb h ALA 138 Cb 0.76 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3vhb h ALA 138 CO 0.05 0.06 -0.70 -0.44 0.00 0.00 0.00 179.25 178.23 3vhb h ASP 139 N 0.72 0.03 -0.19 0.00 3.32 0.06 -0.63 116.42 119.73 3vhb h ASP 139 Ca 0.37 -0.02 -0.19 0.00 0.02 0.00 0.00 57.03 57.21 3vhb h ASP 139 Cb 0.47 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.01 3vhb h ASP 139 CO -0.14 0.72 -0.60 -0.07 -1.72 0.00 0.00 179.24 177.42 3vhb h LEU 140 N 0.02 0.87 0.50 1.55 3.38 0.38 0.38 115.31 122.39 3vhb h LEU 140 Ca -0.01 -0.59 -0.02 0.00 0.09 0.00 0.00 57.88 57.35 3vhb h LEU 140 Cb 1.24 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3vhb h LEU 140 CO 0.09 1.30 -0.24 1.88 0.09 0.00 0.00 178.44 181.57 3vhb h TYR 141 N 0.47 -0.63 -0.70 1.13 0.05 0.64 -2.96 116.97 114.98 3vhb h TYR 141 Ca -0.02 -0.01 0.08 0.00 0.05 0.00 0.00 58.73 58.82 3vhb h TYR 141 Cb 1.22 0.21 -0.06 0.00 1.01 0.00 0.00 36.73 39.11 3vhb h TYR 141 CO 0.09 -0.39 0.37 0.00 -1.05 0.00 0.00 178.16 177.18 3vhb h ALA 142 N -0.18 0.96 0.00 3.88 0.00 -1.10 -1.97 119.26 120.85 3vhb h ALA 142 Ca -0.07 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3vhb h ALA 142 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3vhb h ALA 142 CO 0.11 0.00 0.00 0.94 0.00 0.00 0.00 179.25 180.31 3vhb n GLN 143 N -4.82 0.28 -1.25 0.00 7.27 0.12 -4.39 117.38 114.58 3vhb n GLN 143 Ca 0.10 0.07 -0.20 0.00 0.07 0.00 0.00 57.00 57.04 3vhb n GLN 143 Cb 0.23 -1.50 0.13 0.00 2.41 0.00 0.00 30.24 31.52 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 -1.11 5.29 -0.56 1.69 0.00 -0.74 -5.08 120.51 120.00 3vhb n ALA 144 Ca 0.07 -3.29 0.00 0.00 0.00 0.00 0.00 53.44 50.22 3vhb n ALA 144 Cb 0.06 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3vhb n ALA 144 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05