#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vhb n ASP 3 N 0.00 -0.19 0.01 -1.43 5.68 -1.26 -4.88 116.55 114.48 2vhb n ASP 3 Ca 0.00 -1.33 -0.18 0.00 -0.50 0.00 0.00 54.79 52.78 2vhb n ASP 3 Cb 0.00 -0.80 -0.11 0.00 -1.14 0.00 0.00 41.12 39.07 2vhb n ASP 3 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 2vhb h GLN 4 N 0.00 0.54 -0.97 0.11 5.75 -2.05 -2.38 115.11 116.11 2vhb h GLN 4 Ca -0.34 -0.56 0.04 0.00 -0.15 0.00 0.00 58.65 57.64 2vhb h GLN 4 Cb 0.94 0.16 -0.06 0.00 1.07 0.00 0.00 27.48 29.59 2vhb h GLN 4 CO 0.24 1.19 0.63 0.37 -2.65 0.00 0.00 178.83 178.61 2vhb h GLN 5 N 0.11 1.17 -0.02 1.69 5.75 -1.98 0.11 115.11 121.95 2vhb h GLN 5 Ca -0.09 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.33 2vhb h GLN 5 Cb 1.45 -0.26 -0.00 0.00 1.07 0.00 0.00 27.48 29.73 2vhb h GLN 5 CO 0.15 0.78 0.00 1.15 -2.65 0.00 0.00 178.83 178.26 2vhb h THR 6 N 1.21 1.25 -0.94 2.39 2.02 -1.93 -0.67 112.91 116.23 2vhb h THR 6 Ca 0.39 -0.73 0.12 0.00 0.77 0.00 0.00 66.41 66.95 2vhb h THR 6 Cb 0.03 1.71 -0.08 0.00 -1.74 0.00 0.00 68.15 68.06 2vhb h THR 6 CO -0.12 0.19 0.57 0.40 0.37 0.00 0.00 175.52 176.93 2vhb h ILE 7 N -0.27 0.90 -0.35 3.11 2.04 -0.89 -1.07 117.51 120.98 2vhb h ILE 7 Ca 0.00 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.56 2vhb h ILE 7 Cb 0.31 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.29 2vhb h ILE 7 CO 0.00 0.17 0.23 0.78 0.00 0.00 0.00 178.15 179.33 2vhb h ASN 8 N 0.91 0.41 -0.80 1.72 -0.26 -0.43 -0.33 115.58 116.79 2vhb h ASN 8 Ca 0.47 -0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 56.15 2vhb h ASN 8 Cb 0.47 -0.10 -0.04 0.00 -1.06 0.00 0.00 38.32 37.59 2vhb h ASN 8 CO -0.27 0.31 0.34 0.40 -1.06 0.00 0.00 177.43 177.15 2vhb h ILE 9 N 0.48 1.26 -0.32 2.81 2.04 0.11 -1.96 117.51 121.93 2vhb h ILE 9 Ca 0.13 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 2vhb h ILE 9 Cb -0.04 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 2vhb h ILE 9 CO -0.03 0.33 0.17 0.40 0.00 0.00 0.00 178.15 179.02 2vhb h ILE 10 N 1.15 1.13 -0.96 -0.67 1.08 -0.92 -1.85 117.51 116.48 2vhb h ILE 10 Ca 0.27 -0.35 0.03 0.00 -0.39 0.00 0.00 64.86 64.41 2vhb h ILE 10 Cb 0.18 0.79 -0.05 0.00 -3.07 0.00 0.00 36.82 34.68 2vhb h ILE 10 CO -0.03 0.14 0.63 0.11 -0.69 0.00 0.00 178.15 178.31 2vhb h LYS 11 N 0.39 1.21 -0.13 2.37 1.57 -0.80 0.02 116.57 121.19 2vhb h LYS 11 Ca 0.11 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.67 2vhb h LYS 11 Cb 0.07 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 2vhb h LYS 11 CO -0.02 0.80 -0.56 0.00 -0.57 0.00 0.00 179.45 179.10 2vhb h ALA 12 N 1.43 0.79 0.00 3.86 0.00 -1.03 -3.37 119.26 120.94 2vhb h ALA 12 Ca 0.37 -0.52 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 2vhb h ALA 12 Cb -0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2vhb h ALA 12 CO -0.10 0.70 -2.07 0.25 0.00 0.00 0.00 179.25 178.03 2vhb n THR 13 N -3.93 0.56 -0.35 0.00 -2.24 -0.72 -4.49 114.28 103.11 2vhb n THR 13 Ca -0.03 -0.64 0.12 0.00 -2.27 0.00 0.00 64.05 61.24 2vhb n THR 13 Cb 0.60 -0.21 0.31 0.00 -2.10 0.00 0.00 70.33 68.93 2vhb n THR 13 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 2vhb h VAL 14 N 0.00 0.71 0.00 2.28 3.04 -1.16 -0.12 116.25 121.00 2vhb h VAL 14 Ca -0.20 -0.26 -0.07 0.00 -1.01 0.00 0.00 66.70 65.17 2vhb h VAL 14 Cb 1.46 -0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 30.62 2vhb h VAL 14 CO 0.01 0.14 -0.32 -0.65 -1.01 0.00 0.00 177.57 175.74 2vhb h PRO 15 N 0.75 0.00 -0.18 4.17 0.11 -1.81 0.13 132.00 135.18 2vhb h PRO 15 Ca 0.57 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.51 2vhb h PRO 15 Cb 0.87 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 2vhb h PRO 15 CO -0.38 0.32 -0.58 0.28 -0.21 0.00 0.00 178.00 177.42 2vhb h VAL 16 N 0.00 1.32 -0.47 3.15 2.07 -1.31 -2.27 116.25 118.74 2vhb h VAL 16 Ca -0.00 -1.84 -0.07 0.00 0.82 0.00 0.00 66.70 65.61 2vhb h VAL 16 Cb 0.57 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 2vhb h VAL 16 CO 0.04 0.57 0.01 -0.07 0.02 0.00 0.00 177.57 178.14 2vhb h LEU 17 N 0.43 0.74 -0.94 2.57 3.38 -0.43 -2.75 115.31 118.30 2vhb h LEU 17 Ca 0.00 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 2vhb h LEU 17 Cb 1.13 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2vhb h LEU 17 CO 0.11 0.81 -0.45 0.11 0.09 0.00 0.00 178.44 179.11 2vhb h LYS 18 N 0.73 0.16 -0.69 1.13 1.57 -0.82 -1.99 116.57 116.67 2vhb h LYS 18 Ca 0.14 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 2vhb h LYS 18 Cb 0.43 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 2vhb h LYS 18 CO 0.02 0.59 0.25 1.49 -0.57 0.00 0.00 179.45 181.23 2vhb h GLU 19 N 0.14 1.03 -0.91 3.15 4.57 -1.13 -1.94 114.58 119.49 2vhb h GLU 19 Ca 0.01 -0.19 -0.39 0.00 -1.18 0.00 0.00 59.36 57.61 2vhb h GLU 19 Cb 0.86 -0.17 -0.23 0.00 -0.16 0.00 0.00 28.75 29.04 2vhb h GLU 19 CO 0.07 0.85 0.50 0.72 -1.18 0.00 0.00 179.01 179.97 2vhb n HIS 20 N -4.28 2.79 -0.23 0.92 8.25 -0.93 -4.72 115.22 117.02 2vhb n HIS 20 Ca 0.06 -1.57 0.03 0.00 -0.26 0.00 0.00 57.72 55.99 2vhb n HIS 20 Cb 0.19 -0.84 0.15 0.00 1.12 0.00 0.00 29.99 30.62 2vhb n HIS 20 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2vhb h GLY 21 N 1.75 0.93 1.14 -1.41 0.00 -0.62 -2.44 103.07 102.42 2vhb h GLY 21 Ca 0.48 -0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.80 2vhb h GLY 21 CO 0.95 -0.15 0.51 -0.24 0.00 0.00 0.00 176.54 177.61 2vhb h VAL 22 N 0.29 1.12 -0.18 4.60 3.04 -1.85 0.15 116.25 123.43 2vhb h VAL 22 Ca 0.37 -0.32 -0.14 0.00 -1.01 0.00 0.00 66.70 65.60 2vhb h VAL 22 Cb 0.59 0.10 0.00 0.00 -2.01 0.00 0.00 31.29 29.97 2vhb h VAL 22 CO -0.45 0.17 -0.43 0.74 -1.01 0.00 0.00 177.57 176.60 2vhb h THR 23 N 0.95 1.33 -0.30 3.17 2.02 -1.83 -1.15 112.91 117.09 2vhb h THR 23 Ca 0.30 -1.67 -0.01 0.00 0.77 0.00 0.00 66.41 65.80 2vhb h THR 23 Cb 0.04 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 2vhb h THR 23 CO -0.09 0.52 0.15 0.40 0.37 0.00 0.00 175.52 176.87 2vhb h ILE 24 N 0.28 1.15 -0.26 3.11 2.04 -1.09 -0.27 117.51 122.48 2vhb h ILE 24 Ca -0.00 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 2vhb h ILE 24 Cb 1.04 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 2vhb h ILE 24 CO 0.09 0.15 0.11 0.74 0.00 0.00 0.00 178.15 179.25 2vhb h THR 25 N 0.35 1.16 -0.26 -0.27 2.02 -0.59 0.16 112.91 115.48 2vhb h THR 25 Ca 0.10 -0.47 -0.18 0.00 0.77 0.00 0.00 66.41 66.63 2vhb h THR 25 Cb 0.11 1.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2vhb h THR 25 CO -0.01 0.16 -0.54 0.71 0.37 0.00 0.00 175.52 176.20 2vhb h THR 26 N 0.27 1.29 -0.54 3.16 1.35 -1.08 -2.46 112.91 114.90 2vhb h THR 26 Ca 0.09 -1.74 -0.10 0.00 -0.55 0.00 0.00 66.41 64.10 2vhb h THR 26 Cb 0.15 1.66 -0.02 0.00 -1.73 0.00 0.00 68.15 68.21 2vhb h THR 26 CO -0.01 0.56 -0.06 0.74 -0.25 0.00 0.00 175.52 176.51 2vhb h THR 27 N 0.61 1.26 0.41 6.82 2.02 -0.95 -1.03 112.91 122.06 2vhb h THR 27 Ca 0.01 -1.18 -0.02 0.00 0.77 0.00 0.00 66.41 65.99 2vhb h THR 27 Cb 1.14 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 68.45 2vhb h THR 27 CO 0.12 0.42 -0.22 0.15 0.37 0.00 0.00 175.52 176.35 2vhb h PHE 28 N 0.88 -0.58 -0.57 3.16 3.57 -0.43 -1.38 116.94 121.59 2vhb h PHE 28 Ca 0.15 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 2vhb h PHE 28 Cb 0.59 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 2vhb h PHE 28 CO 0.04 -0.35 0.14 1.88 -2.23 0.00 0.00 178.31 177.78 2vhb h TYR 29 N -0.59 0.90 -0.04 0.41 0.05 -1.40 0.16 116.97 116.46 2vhb h TYR 29 Ca -0.05 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.64 2vhb h TYR 29 Cb 0.47 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 37.94 2vhb h TYR 29 CO -0.07 0.75 0.01 -0.22 -1.05 0.00 0.00 178.16 177.58 2vhb h LYS 30 N 0.84 0.07 -0.66 4.88 3.64 -1.08 -2.26 116.57 122.01 2vhb h LYS 30 Ca 0.18 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 2vhb h LYS 30 Cb 0.30 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 2vhb h LYS 30 CO -0.00 0.32 0.29 -0.91 -2.27 0.00 0.00 179.45 176.87 2vhb h ASN 31 N -0.18 0.89 0.15 4.20 2.35 -1.17 -2.43 115.58 119.38 2vhb h ASN 31 Ca 0.01 -0.16 0.02 0.00 -0.55 0.00 0.00 56.30 55.62 2vhb h ASN 31 Cb 0.28 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.38 2vhb h ASN 31 CO 0.00 0.80 -0.33 0.25 -1.65 0.00 0.00 177.43 176.50 2vhb h LEU 32 N 0.92 -0.94 -1.02 1.61 5.85 -0.55 -1.27 115.31 119.91 2vhb h LEU 32 Ca 0.22 0.10 -0.10 0.00 0.84 0.00 0.00 57.88 58.95 2vhb h LEU 32 Cb 0.17 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2vhb h LEU 32 CO -0.02 -0.42 -0.39 -0.26 -0.34 0.00 0.00 178.44 177.01 2vhb h PHE 33 N -0.57 0.22 0.04 1.25 0.04 -1.40 0.05 116.94 116.57 2vhb h PHE 33 Ca 0.02 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 2vhb h PHE 33 Cb 0.59 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.69 2vhb h PHE 33 CO -0.28 0.56 -0.02 0.00 -0.60 0.00 0.00 178.31 177.97 2vhb h ALA 34 N 1.44 -0.05 0.00 2.45 0.00 -1.36 -3.21 119.26 118.52 2vhb h ALA 34 Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2vhb h ALA 34 Cb 0.76 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2vhb h ALA 34 CO 0.06 -0.25 -0.10 0.87 0.00 0.00 0.00 179.25 179.83 2vhb h LYS 35 N -0.61 0.00 -2.06 0.00 1.57 -1.22 -3.37 116.57 110.88 2vhb h LYS 35 Ca -0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.26 2vhb h LYS 35 Cb 0.55 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.46 2vhb h LYS 35 CO 0.01 0.00 -1.06 0.72 -0.57 0.00 0.00 179.45 178.55 2vhb n HIS 36 N -2.96 0.97 -0.11 -1.35 8.25 0.00 -4.94 115.22 115.08 2vhb n HIS 36 Ca 0.04 -3.83 0.27 0.00 -0.26 0.00 0.00 57.72 53.93 2vhb n HIS 36 Cb 0.52 -0.43 0.70 0.00 1.12 0.00 0.00 29.99 31.90 2vhb n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2vhb h PRO 37 N 3.16 0.00 0.00 -0.41 0.11 -1.73 -1.78 132.00 131.35 2vhb h PRO 37 Ca 0.11 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 2vhb h PRO 37 Cb 0.86 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 2vhb h PRO 37 CO 0.57 0.00 -0.00 1.05 -0.21 0.00 0.00 178.00 179.41 2vhb h GLU 38 N 0.00 0.00 -0.00 1.05 9.09 -1.92 -2.14 114.58 120.66 2vhb h GLU 38 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.79 2vhb h GLU 38 Cb 1.80 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.90 2vhb h GLU 38 CO -0.00 0.00 -0.47 1.33 0.05 0.00 0.00 179.01 179.92 2vhb n VAL 39 N -3.76 0.00 -0.24 -1.06 0.24 -0.67 -4.35 118.33 108.49 2vhb n VAL 39 Ca -0.03 -0.04 0.03 0.00 -2.04 0.00 0.00 64.34 62.27 2vhb n VAL 39 Cb 0.08 0.35 0.16 0.00 -1.47 0.00 0.00 33.84 32.96 2vhb n VAL 39 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2vhb h ARG 40 N 0.34 0.41 -0.21 7.34 3.08 -1.54 -1.56 114.38 122.25 2vhb h ARG 40 Ca 0.00 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.07 2vhb h ARG 40 Cb 0.51 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2vhb h ARG 40 CO 0.00 0.27 0.14 -1.35 -1.07 0.00 0.00 179.97 177.97 2vhb h PRO 41 N 0.42 0.06 -0.01 0.04 0.11 -1.79 -2.39 132.00 128.44 2vhb h PRO 41 Ca 0.38 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.38 2vhb h PRO 41 Cb 0.55 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 2vhb h PRO 41 CO -0.38 0.04 -0.49 -0.07 -0.21 0.00 0.00 178.00 176.89 2vhb h LEU 42 N 0.06 0.03 0.00 2.35 3.38 -1.57 -3.53 115.31 116.03 2vhb h LEU 42 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2vhb h LEU 42 Cb 0.30 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2vhb h LEU 42 CO -0.01 0.51 0.00 0.49 0.09 0.00 0.00 178.44 179.53 2vhb n PHE 43 N -3.96 0.00 0.00 1.13 3.72 -0.91 -4.93 117.46 112.52 2vhb n PHE 43 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 2vhb n PHE 43 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 2vhb n PHE 43 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2vhb n LEU 51 N 0.00 0.00 -4.55 4.37 4.77 -1.26 -5.10 117.00 115.23 2vhb n LEU 51 Ca 0.00 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.59 2vhb n LEU 51 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2vhb n LEU 51 CO 0.00 0.00 1.35 -1.61 -1.33 0.00 0.00 177.39 175.80 2vhb s GLU 52 N -2.26 3.10 0.06 3.23 2.02 -1.26 -4.95 118.70 118.66 2vhb s GLU 52 Ca 0.00 -0.28 0.07 0.00 0.02 0.00 0.00 54.97 54.78 2vhb s GLU 52 Cb 0.00 -4.59 -0.03 0.00 0.10 0.00 0.00 34.13 29.61 2vhb s GLU 52 CO 0.00 -2.41 -0.20 -0.65 0.02 0.00 0.00 175.26 172.02 2vhb s GLN 53 N 5.96 1.25 0.42 1.61 -1.52 -1.26 -5.13 119.66 121.00 2vhb s GLN 53 Ca 0.48 -0.98 -0.22 0.00 -1.95 0.00 0.00 55.36 52.68 2vhb s GLN 53 Cb -0.07 -1.40 -0.10 0.00 -0.22 0.00 0.00 33.01 31.23 2vhb s GLN 53 CO 0.09 0.35 0.99 -1.25 -0.25 0.00 0.00 175.29 175.22 2vhb s PRO 54 N -1.39 4.15 0.00 2.91 0.04 -1.26 -4.93 135.00 134.51 2vhb s PRO 54 Ca 0.06 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.40 2vhb s PRO 54 Cb -0.09 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.13 2vhb s PRO 54 CO 0.02 -0.12 0.00 1.63 0.04 0.00 0.00 177.00 178.57 2vhb n LYS 55 N -0.45 1.80 0.01 4.56 4.76 -1.26 -4.99 118.16 122.60 2vhb n LYS 55 Ca 0.07 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.63 2vhb n LYS 55 Cb 0.52 -0.15 0.32 0.00 -1.84 0.00 0.00 35.03 33.89 2vhb n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2vhb n ALA 56 N 0.00 3.15 0.12 7.82 0.00 -1.26 -4.54 120.51 125.79 2vhb n ALA 56 Ca 0.00 -0.27 -0.14 0.00 0.00 0.00 0.00 53.44 53.03 2vhb n ALA 56 Cb 0.00 -1.21 -0.07 0.00 0.00 0.00 0.00 19.45 18.17 2vhb n ALA 56 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2vhb h LEU 57 N 0.00 -1.13 -0.71 0.00 7.12 -1.99 -0.34 115.31 118.27 2vhb h LEU 57 Ca 0.00 0.13 -0.04 0.00 0.13 0.00 0.00 57.88 58.10 2vhb h LEU 57 Cb 0.54 0.42 -0.03 0.00 -0.53 0.00 0.00 40.66 41.07 2vhb h LEU 57 CO 0.00 -0.46 0.29 0.00 -0.13 0.00 0.00 178.44 178.13 2vhb h ALA 58 N -0.08 0.92 0.00 1.25 0.00 -1.94 -2.15 119.26 117.26 2vhb h ALA 58 Ca 0.03 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 2vhb h ALA 58 Cb 0.65 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2vhb h ALA 58 CO -0.22 0.54 -0.59 0.52 0.00 0.00 0.00 179.25 179.49 2vhb h MET 59 N 1.01 0.00 -0.55 0.00 2.86 -1.81 -1.26 114.93 115.18 2vhb h MET 59 Ca 0.24 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.78 2vhb h MET 59 Cb 0.20 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 2vhb h MET 59 CO -0.02 0.59 -0.04 1.15 1.06 0.00 0.00 176.91 179.65 2vhb h THR 60 N 0.00 1.26 -0.62 2.22 2.02 -0.72 0.73 112.91 117.79 2vhb h THR 60 Ca -0.01 -1.16 -0.06 0.00 0.77 0.00 0.00 66.41 65.95 2vhb h THR 60 Cb 1.07 0.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 2vhb h THR 60 CO 0.08 0.41 0.14 0.58 0.37 0.00 0.00 175.52 177.11 2vhb h VAL 61 N 0.89 1.26 -0.60 3.16 2.07 -1.01 -0.09 116.25 121.92 2vhb h VAL 61 Ca 0.16 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 2vhb h VAL 61 Cb 0.57 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 2vhb h VAL 61 CO 0.03 0.35 0.15 -0.07 0.02 0.00 0.00 177.57 178.05 2vhb h LEU 62 N 0.92 0.88 -0.77 2.57 3.38 -0.76 0.99 115.31 122.52 2vhb h LEU 62 Ca 0.20 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2vhb h LEU 62 Cb 0.37 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2vhb h LEU 62 CO 0.00 0.86 0.25 0.00 0.09 0.00 0.00 178.44 179.64 2vhb h ALA 63 N 1.26 1.01 -0.24 1.53 0.00 -0.25 0.13 119.26 122.69 2vhb h ALA 63 Ca 0.19 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2vhb h ALA 63 Cb 0.32 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2vhb h ALA 63 CO -0.00 0.67 0.14 0.00 0.00 0.00 0.00 179.25 180.05 2vhb h ALA 64 N 1.14 0.30 -0.41 0.00 0.00 -0.20 -2.75 119.26 117.34 2vhb h ALA 64 Ca 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2vhb h ALA 64 Cb 0.29 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2vhb h ALA 64 CO -0.01 -0.18 0.16 0.00 0.00 0.00 0.00 179.25 179.22 2vhb h ALA 65 N 1.03 1.51 0.00 0.00 0.00 -0.45 0.16 119.26 121.51 2vhb h ALA 65 Ca 0.08 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2vhb h ALA 65 Cb 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2vhb h ALA 65 CO -0.01 0.38 -0.01 0.37 0.00 0.00 0.00 179.25 179.98 2vhb h GLN 66 N 0.58 0.00 -0.83 0.00 5.75 -0.45 -1.75 115.11 118.42 2vhb h GLN 66 Ca 0.14 0.00 -0.55 0.00 -0.15 0.00 0.00 58.65 58.09 2vhb h GLN 66 Cb 0.13 0.00 -0.43 0.00 1.07 0.00 0.00 27.48 28.25 2vhb h GLN 66 CO -0.01 0.01 -0.82 0.09 -2.65 0.00 0.00 178.83 175.45 2vhb n ASN 67 N -3.74 4.85 0.31 -0.69 4.13 0.52 -4.81 115.26 115.83 2vhb n ASN 67 Ca -0.03 -3.72 0.18 0.00 1.68 0.00 0.00 54.58 52.69 2vhb n ASN 67 Cb 0.09 -0.36 1.01 0.00 -1.54 0.00 0.00 39.78 38.98 2vhb n ASN 67 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 2vhb h ILE 68 N 2.28 0.36 0.00 2.41 6.09 -0.86 0.53 117.51 128.32 2vhb h ILE 68 Ca 0.35 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.84 2vhb h ILE 68 Cb 1.47 0.99 0.00 0.00 0.47 0.00 0.00 36.82 39.74 2vhb h ILE 68 CO 0.76 0.00 -0.69 -0.33 -3.07 0.00 0.00 178.15 174.82 2vhb h GLU 69 N 0.00 0.00 -2.06 2.19 5.08 -1.87 -3.39 114.58 114.54 2vhb h GLU 69 Ca 0.01 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 2vhb h GLU 69 Cb 0.04 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.89 2vhb h GLU 69 CO -0.00 0.00 -0.98 -1.71 -1.00 0.00 0.00 179.01 175.32 2vhb n ASN 70 N -2.38 1.24 0.24 1.42 2.85 0.17 -4.93 115.26 113.87 2vhb n ASN 70 Ca 0.02 -2.94 0.09 0.00 -0.11 0.00 0.00 54.58 51.64 2vhb n ASN 70 Cb 0.48 -0.64 0.62 0.00 1.24 0.00 0.00 39.78 41.48 2vhb n ASN 70 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2vhb h LEU 71 N 3.87 0.00 -2.54 1.20 3.38 -1.74 -1.74 115.31 117.74 2vhb h LEU 71 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2vhb h LEU 71 Cb 0.83 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 2vhb h LEU 71 CO 0.57 0.14 0.01 -0.65 0.09 0.00 0.00 178.44 178.59 2vhb h PRO 72 N 0.00 0.00 0.00 1.13 0.11 -1.91 -1.40 132.00 129.93 2vhb h PRO 72 Ca -0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2vhb h PRO 72 Cb 0.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.39 2vhb h PRO 72 CO 0.02 0.00 -0.05 0.00 -0.21 0.00 0.00 178.00 177.76 2vhb h ALA 73 N 1.99 1.61 -0.40 -0.75 0.00 -1.68 -1.65 119.26 118.38 2vhb h ALA 73 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2vhb h ALA 73 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2vhb h ALA 73 CO -0.00 0.06 0.00 0.44 0.00 0.00 0.00 179.25 179.75 2vhb n ILE 74 N -4.02 0.52 -0.33 0.00 -5.35 -0.53 -4.47 119.36 105.18 2vhb n ILE 74 Ca -0.03 -0.68 0.10 0.00 -0.27 0.00 0.00 62.75 61.88 2vhb n ILE 74 Cb 0.13 0.71 0.28 0.00 -1.74 0.00 0.00 39.64 39.02 2vhb n ILE 74 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2vhb h LEU 75 N 3.76 0.66 -1.40 7.28 3.38 -1.34 0.93 115.31 128.58 2vhb h LEU 75 Ca 0.00 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.07 2vhb h LEU 75 Cb 0.84 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 2vhb h LEU 75 CO 0.00 0.25 0.41 -0.65 0.09 0.00 0.00 178.44 178.53 2vhb h PRO 76 N 0.70 0.81 -0.04 1.13 0.11 -1.80 0.28 132.00 133.18 2vhb h PRO 76 Ca 0.53 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 66.44 2vhb h PRO 76 Cb 0.80 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 31.74 2vhb h PRO 76 CO -0.38 0.53 -0.57 0.00 -0.21 0.00 0.00 178.00 177.38 2vhb h ALA 77 N 1.62 0.12 -0.67 -0.75 0.00 -1.22 -3.20 119.26 115.16 2vhb h ALA 77 Ca 0.23 -0.54 0.06 0.00 0.00 0.00 0.00 54.91 54.65 2vhb h ALA 77 Cb -0.09 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2vhb h ALA 77 CO -0.05 0.36 0.37 0.28 0.00 0.00 0.00 179.25 180.21 2vhb h VAL 78 N -0.02 0.97 -1.00 0.00 2.07 -0.74 -0.57 116.25 116.97 2vhb h VAL 78 Ca -0.06 -0.24 0.10 0.00 0.82 0.00 0.00 66.70 67.33 2vhb h VAL 78 Cb 1.25 0.22 -0.08 0.00 -1.52 0.00 0.00 31.29 31.16 2vhb h VAL 78 CO 0.11 0.13 0.63 0.11 0.02 0.00 0.00 177.57 178.57 2vhb h LYS 79 N 0.69 1.01 0.02 1.57 6.56 -0.52 0.30 116.57 126.19 2vhb h LYS 79 Ca 0.30 -0.06 -0.23 0.00 -1.06 0.00 0.00 60.65 59.60 2vhb h LYS 79 Cb 0.19 -0.23 0.02 0.00 -0.57 0.00 0.00 32.23 31.64 2vhb h LYS 79 CO -0.18 0.67 -0.90 0.87 -2.06 0.00 0.00 179.45 177.85 2vhb h LYS 80 N 1.05 0.58 -0.35 3.15 6.56 -1.33 -3.04 116.57 123.18 2vhb h LYS 80 Ca 0.47 -0.65 0.01 0.00 -1.06 0.00 0.00 60.65 59.43 2vhb h LYS 80 Cb 0.38 0.19 -0.02 0.00 -0.57 0.00 0.00 32.23 32.21 2vhb h LYS 80 CO -0.24 1.25 0.21 0.82 -2.06 0.00 0.00 179.45 179.43 2vhb h ILE 81 N 0.18 1.04 -0.95 1.86 2.04 -0.59 -2.70 117.51 118.39 2vhb h ILE 81 Ca -0.12 -0.14 0.22 0.00 1.00 0.00 0.00 64.86 65.81 2vhb h ILE 81 Cb 1.58 0.59 -0.12 0.00 -0.74 0.00 0.00 36.82 38.13 2vhb h ILE 81 CO 0.18 0.08 0.51 0.00 0.00 0.00 0.00 178.15 178.91 2vhb h ALA 82 N 1.15 1.59 -0.84 1.87 0.00 -1.03 0.35 119.26 122.35 2vhb h ALA 82 Ca 0.14 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2vhb h ALA 82 Cb -0.00 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 2vhb h ALA 82 CO -0.06 -0.24 0.50 0.28 0.00 0.00 0.00 179.25 179.73 2vhb h VAL 83 N 0.55 1.24 -0.30 0.00 2.07 -1.36 0.34 116.25 118.78 2vhb h VAL 83 Ca 0.58 -0.52 -0.13 0.00 0.82 0.00 0.00 66.70 67.45 2vhb h VAL 83 Cb 1.05 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2vhb h VAL 83 CO -0.47 0.25 -0.33 0.11 0.02 0.00 0.00 177.57 177.15 2vhb h LYS 84 N 1.15 0.65 0.04 1.57 1.57 -0.32 -1.92 116.57 119.31 2vhb h LYS 84 Ca 0.30 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2vhb h LYS 84 Cb -0.03 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2vhb h LYS 84 CO -0.06 0.89 -0.02 0.45 -0.57 0.00 0.00 179.45 180.15 2vhb h HIS 85 N 0.55 -0.05 -0.64 -1.35 3.86 -0.57 -1.73 115.15 115.22 2vhb h HIS 85 Ca 0.06 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2vhb h HIS 85 Cb 0.83 0.02 -0.03 0.00 1.06 0.00 0.00 27.41 29.29 2vhb h HIS 85 CO 0.04 0.32 0.42 0.00 0.86 0.00 0.00 177.93 179.56 2vhb h GLN 87 N 0.88 0.40 0.00 0.00 4.15 -1.21 -2.99 115.11 116.33 2vhb h GLN 87 Ca 0.23 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.52 2vhb h GLN 87 Cb -0.08 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.57 2vhb h GLN 87 CO -0.05 0.60 -0.23 0.00 -1.93 0.00 0.00 178.83 177.21 2vhb h ALA 88 N 1.42 0.86 -0.17 3.38 0.00 -0.36 -3.48 119.26 120.91 2vhb h ALA 88 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2vhb h ALA 88 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2vhb h ALA 88 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 2vhb n GLY 89 N 1.22 1.14 3.72 0.00 0.00 -0.52 -4.85 105.19 105.90 2vhb n GLY 89 Ca 0.04 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 2vhb n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vhb s VAL 90 N -2.17 3.63 0.23 1.61 1.01 -0.80 -5.03 120.40 118.87 2vhb s VAL 90 Ca 0.00 1.21 0.08 0.00 0.00 0.00 0.00 61.98 63.27 2vhb s VAL 90 Cb 0.00 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 2vhb s VAL 90 CO 0.00 0.11 0.02 0.00 0.00 0.00 0.00 175.10 175.23 2vhb s ALA 91 N 0.86 3.23 0.32 5.51 0.00 -1.26 -4.76 121.76 125.65 2vhb s ALA 91 Ca 0.60 -1.51 0.06 0.00 0.00 0.00 0.00 51.96 51.10 2vhb s ALA 91 Cb -0.33 -0.92 0.71 0.00 0.00 0.00 0.00 23.12 22.58 2vhb s ALA 91 CO 0.31 0.35 1.83 0.00 0.00 0.00 0.00 175.76 178.25 2vhb h ALA 92 N 2.16 1.69 0.00 0.00 0.00 -1.96 0.08 119.26 121.24 2vhb h ALA 92 Ca -0.46 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2vhb h ALA 92 Cb 1.23 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2vhb h ALA 92 CO 0.59 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.87 2vhb n ALA 93 N -2.38 1.77 0.18 0.00 0.00 -1.26 -2.31 120.51 116.51 2vhb n ALA 93 Ca 0.19 0.07 0.02 0.00 0.00 0.00 0.00 53.44 53.72 2vhb n ALA 93 Cb 0.46 -1.41 0.33 0.00 0.00 0.00 0.00 19.45 18.83 2vhb n ALA 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2vhb h HIS 94 N 0.00 0.00 -0.89 0.00 -0.00 -1.38 -3.36 115.15 109.51 2vhb h HIS 94 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.44 2vhb h HIS 94 Cb 0.43 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.78 2vhb h HIS 94 CO 0.00 0.41 0.58 1.88 -0.00 0.00 0.00 177.93 180.80 2vhb h TYR 95 N 0.00 1.02 -0.48 2.45 -1.99 -1.56 -2.30 116.97 114.11 2vhb h TYR 95 Ca -0.00 0.03 -0.08 0.00 2.00 0.00 0.00 58.73 60.67 2vhb h TYR 95 Cb 0.75 -0.33 -0.02 0.00 2.00 0.00 0.00 36.73 39.12 2vhb h TYR 95 CO 0.00 0.53 -0.02 -1.35 -0.00 0.00 0.00 178.16 177.31 2vhb h PRO 96 N 1.00 0.81 -0.45 4.88 0.11 -1.77 -0.95 132.00 135.62 2vhb h PRO 96 Ca 0.39 -0.23 -0.10 0.00 0.11 0.00 0.00 66.00 66.17 2vhb h PRO 96 Cb 0.23 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 2vhb h PRO 96 CO -0.15 0.83 -0.10 0.82 -0.21 0.00 0.00 178.00 179.19 2vhb h ILE 97 N 0.75 1.27 -0.73 4.15 2.04 -1.64 0.14 117.51 123.48 2vhb h ILE 97 Ca 0.14 -1.22 -0.05 0.00 1.00 0.00 0.00 64.86 64.74 2vhb h ILE 97 Cb 0.49 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 2vhb h ILE 97 CO 0.02 0.42 0.28 0.58 0.00 0.00 0.00 178.15 179.45 2vhb h VAL 98 N 0.71 1.25 -0.72 1.67 2.07 -1.32 -1.96 116.25 117.95 2vhb h VAL 98 Ca 0.12 -0.81 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 2vhb h VAL 98 Cb 0.64 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 2vhb h VAL 98 CO 0.04 0.32 0.23 1.23 0.02 0.00 0.00 177.57 179.42 2vhb h GLY 99 N 1.05 1.18 0.99 2.17 0.00 -0.85 0.21 103.07 107.83 2vhb h GLY 99 Ca 0.24 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 2vhb h GLY 99 CO -0.02 0.64 0.25 1.46 0.00 0.00 0.00 176.54 178.88 2vhb h GLN 100 N 1.06 0.55 -0.08 4.80 4.20 -0.28 0.32 115.11 125.69 2vhb h GLN 100 Ca 0.23 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.74 2vhb h GLN 100 Cb 0.28 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2vhb h GLN 100 CO -0.01 0.40 -0.65 0.93 -0.67 0.00 0.00 178.83 178.83 2vhb h GLU 101 N 0.54 0.32 -0.28 1.46 4.39 -0.53 -1.71 114.58 118.77 2vhb h GLU 101 Ca 0.15 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 2vhb h GLU 101 Cb -0.02 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2vhb h GLU 101 CO -0.03 0.86 0.14 1.25 -1.16 0.00 0.00 179.01 180.07 2vhb h LEU 102 N 0.23 0.35 -0.92 1.33 5.85 -0.39 -0.90 115.31 120.86 2vhb h LEU 102 Ca -0.01 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 2vhb h LEU 102 Cb 1.18 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 2vhb h LEU 102 CO 0.11 0.35 0.51 -0.07 -0.34 0.00 0.00 178.44 179.00 2vhb h LEU 103 N 0.32 1.13 -0.67 2.25 -0.00 -0.87 0.11 115.31 117.59 2vhb h LEU 103 Ca 0.10 -0.10 -0.05 0.00 -0.00 0.00 0.00 57.88 57.83 2vhb h LEU 103 Cb 0.09 -0.29 -0.03 0.00 -0.00 0.00 0.00 40.66 40.43 2vhb h LEU 103 CO -0.01 0.90 0.23 1.23 -0.00 0.00 0.00 178.44 180.79 2vhb h GLY 104 N 1.28 1.09 0.98 0.83 0.00 -1.09 -0.45 103.07 105.71 2vhb h GLY 104 Ca 0.32 -0.62 0.01 0.00 0.00 0.00 0.00 47.33 47.04 2vhb h GLY 104 CO -0.05 0.59 0.31 0.00 0.00 0.00 0.00 176.54 177.39 2vhb h ALA 105 N 1.10 0.61 -0.58 3.60 0.00 -0.21 -1.56 119.26 122.23 2vhb h ALA 105 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2vhb h ALA 105 Cb 0.26 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2vhb h ALA 105 CO -0.01 0.04 0.36 0.82 0.00 0.00 0.00 179.25 180.46 2vhb h ILE 106 N 0.64 1.16 -0.26 0.00 2.04 -0.36 -2.35 117.51 118.38 2vhb h ILE 106 Ca 0.18 -0.33 -0.10 0.00 1.00 0.00 0.00 64.86 65.61 2vhb h ILE 106 Cb -0.06 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 2vhb h ILE 106 CO -0.05 0.16 -0.21 0.50 0.00 0.00 0.00 178.15 178.55 2vhb h LYS 107 N 0.79 0.60 -0.54 2.37 3.64 -0.41 -0.08 116.57 122.95 2vhb h LYS 107 Ca 0.21 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2vhb h LYS 107 Cb -0.05 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 2vhb h LYS 107 CO -0.04 0.89 0.28 0.93 -2.27 0.00 0.00 179.45 179.24 2vhb h GLU 108 N 0.32 0.76 -0.19 1.90 5.08 -1.03 -1.86 114.58 119.56 2vhb h GLU 108 Ca 0.05 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2vhb h GLU 108 Cb 0.75 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 2vhb h GLU 108 CO 0.05 0.60 -0.14 0.28 -1.00 0.00 0.00 179.01 178.80 2vhb h VAL 109 N 0.72 1.32 0.00 3.13 2.07 -1.34 -2.62 116.25 119.54 2vhb h VAL 109 Ca 0.19 -1.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 2vhb h VAL 109 Cb 0.07 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2vhb h VAL 109 CO -0.03 0.38 -0.15 -0.07 0.02 0.00 0.00 177.57 177.72 2vhb h LEU 110 N 0.11 0.00 0.00 2.57 3.38 -0.98 -3.46 115.31 116.92 2vhb h LEU 110 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2vhb h LEU 110 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2vhb h LEU 110 CO 0.04 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.33 2vhb n GLY 111 N -0.85 3.22 0.42 0.83 0.00 -0.70 -1.94 105.19 106.16 2vhb n GLY 111 Ca -0.02 -0.11 0.22 0.00 0.00 0.00 0.00 46.02 46.10 2vhb n GLY 111 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2vhb h ASP 112 N 1.22 0.21 0.42 1.61 3.32 -1.89 0.21 116.42 121.52 2vhb h ASP 112 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2vhb h ASP 112 Cb 0.00 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2vhb h ASP 112 CO 0.00 0.09 0.00 0.00 -1.72 0.00 0.00 179.24 177.61 2vhb n ALA 113 N -2.60 1.84 -0.69 3.45 0.00 -0.82 -4.42 120.51 117.27 2vhb n ALA 113 Ca 0.17 -0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.35 2vhb n ALA 113 Cb 0.75 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.90 2vhb n ALA 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2vhb n ALA 114 N -1.38 4.53 -0.78 0.00 0.00 0.73 -4.94 120.51 118.67 2vhb n ALA 114 Ca 0.06 -1.77 -0.30 0.00 0.00 0.00 0.00 53.44 51.43 2vhb n ALA 114 Cb 0.16 -2.84 0.17 0.00 0.00 0.00 0.00 19.45 16.94 2vhb n ALA 114 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2vhb s THR 115 N 3.11 2.27 0.07 0.00 -4.23 -1.26 -4.79 115.64 110.81 2vhb s THR 115 Ca 0.39 0.09 -0.22 0.00 -1.18 0.00 0.00 61.69 60.76 2vhb s THR 115 Cb 0.12 -2.22 -0.14 0.00 1.34 0.00 0.00 72.50 71.60 2vhb s THR 115 CO -0.03 -0.11 1.61 0.44 -0.54 0.00 0.00 174.62 175.99 2vhb h ASP 116 N -1.92 0.10 -0.62 3.99 3.32 -1.99 -1.19 116.42 118.12 2vhb h ASP 116 Ca -0.48 -0.15 0.11 0.00 0.02 0.00 0.00 57.03 56.53 2vhb h ASP 116 Cb 1.28 -0.03 -0.08 0.00 0.22 0.00 0.00 39.33 40.72 2vhb h ASP 116 CO 0.46 0.23 0.19 0.44 -1.72 0.00 0.00 179.24 178.84 2vhb h ASP 117 N -0.03 0.14 -0.30 6.45 3.32 -1.98 0.42 116.42 124.44 2vhb h ASP 117 Ca 0.03 0.09 0.03 0.00 0.02 0.00 0.00 57.03 57.20 2vhb h ASP 117 Cb 0.15 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 2vhb h ASP 117 CO -0.00 0.08 0.13 0.40 -1.72 0.00 0.00 179.24 178.12 2vhb h ILE 118 N 0.35 0.96 -0.72 0.35 2.04 -1.81 0.35 117.51 119.02 2vhb h ILE 118 Ca 0.32 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 66.09 2vhb h ILE 118 Cb 0.44 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 2vhb h ILE 118 CO -0.35 0.05 0.48 -0.07 0.00 0.00 0.00 178.15 178.26 2vhb h LEU 119 N 0.28 0.83 -0.91 1.44 3.38 -0.15 -1.40 115.31 118.77 2vhb h LEU 119 Ca 0.13 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 2vhb h LEU 119 Cb 0.07 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2vhb h LEU 119 CO -0.11 0.60 -0.46 0.44 0.09 0.00 0.00 178.44 178.99 2vhb h ASP 120 N 0.97 0.19 -0.33 -0.43 5.19 0.44 0.69 116.42 123.15 2vhb h ASP 120 Ca 0.27 -0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.59 2vhb h ASP 120 Cb -0.10 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.34 2vhb h ASP 120 CO -0.06 0.63 0.19 0.00 -3.12 0.00 0.00 179.24 176.88 2vhb h ALA 121 N 1.38 0.42 -0.61 3.45 0.00 0.63 -0.31 119.26 124.21 2vhb h ALA 121 Ca 0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2vhb h ALA 121 Cb 0.88 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 2vhb h ALA 121 CO 0.07 -0.08 0.19 -1.49 0.00 0.00 0.00 179.25 177.94 2vhb h TRP 122 N 0.42 0.95 -0.02 0.00 4.06 -0.69 0.37 115.95 121.03 2vhb h TRP 122 Ca 0.12 -0.08 0.01 0.00 2.06 0.00 0.00 58.89 61.00 2vhb h TRP 122 Cb 0.02 -0.28 -0.01 0.00 -1.00 0.00 0.00 29.16 27.89 2vhb h TRP 122 CO -0.04 0.76 -0.05 0.78 -3.56 0.00 0.00 178.44 176.34 2vhb h GLY 123 N 1.01 -0.03 0.99 1.49 0.00 -0.42 -0.67 103.07 105.44 2vhb h GLY 123 Ca 0.20 0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.59 2vhb h GLY 123 CO -0.01 -0.06 0.29 0.50 0.00 0.00 0.00 176.54 177.27 2vhb h LYS 124 N -0.08 0.67 -0.58 4.80 1.57 -0.39 -2.14 116.57 120.42 2vhb h LYS 124 Ca 0.03 -0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.80 2vhb h LYS 124 Cb 0.11 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 2vhb h LYS 124 CO -0.07 0.50 0.30 0.00 -0.57 0.00 0.00 179.45 179.61 2vhb h ALA 125 N 1.14 0.76 -0.71 3.86 0.00 -0.78 -1.89 119.26 121.64 2vhb h ALA 125 Ca 0.18 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2vhb h ALA 125 Cb -0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2vhb h ALA 125 CO -0.03 -0.05 0.42 -0.92 0.00 0.00 0.00 179.25 178.67 2vhb h TYR 126 N 0.56 0.95 -0.22 0.00 3.20 -0.79 -1.16 116.97 119.52 2vhb h TYR 126 Ca 0.26 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.18 2vhb h TYR 126 Cb 0.18 -0.31 -0.07 0.00 1.54 0.00 0.00 36.73 38.07 2vhb h TYR 126 CO -0.10 0.65 -0.24 0.78 -1.64 0.00 0.00 178.16 177.61 2vhb h GLY 127 N 0.97 -0.19 1.71 1.82 0.00 -0.72 0.56 103.07 107.22 2vhb h GLY 127 Ca 0.25 0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.83 2vhb h GLY 127 CO -0.05 -0.20 -0.10 -2.08 0.00 0.00 0.00 176.54 174.12 2vhb h VAL 128 N -0.26 1.20 -0.08 4.60 2.07 -0.97 0.09 116.25 122.88 2vhb h VAL 128 Ca 0.13 -0.84 -0.12 0.00 0.82 0.00 0.00 66.70 66.69 2vhb h VAL 128 Cb 0.46 1.14 0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2vhb h VAL 128 CO -0.37 0.27 -0.40 0.40 0.02 0.00 0.00 177.57 177.49 2vhb h ILE 129 N 0.34 1.40 -0.82 4.57 2.04 0.05 -3.11 117.51 121.99 2vhb h ILE 129 Ca 0.07 -1.78 0.05 0.00 1.00 0.00 0.00 64.86 64.20 2vhb h ILE 129 Cb 0.39 2.27 -0.05 0.00 -0.74 0.00 0.00 36.82 38.69 2vhb h ILE 129 CO 0.02 0.52 0.51 0.00 0.00 0.00 0.00 178.15 179.20 2vhb h ALA 130 N 0.45 1.10 -0.95 1.87 0.00 0.54 -1.63 119.26 120.64 2vhb h ALA 130 Ca -0.03 -0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.06 2vhb h ALA 130 Cb 1.05 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 2vhb h ALA 130 CO 0.08 0.29 0.61 -0.44 0.00 0.00 0.00 179.25 179.79 2vhb h ASP 131 N 0.97 0.56 -0.50 0.00 3.32 -0.98 0.45 116.42 120.24 2vhb h ASP 131 Ca 0.34 0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.36 2vhb h ASP 131 Cb 0.09 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 2vhb h ASP 131 CO -0.14 0.22 -0.06 0.58 -1.72 0.00 0.00 179.24 178.12 2vhb h VAL 132 N 0.56 1.27 -0.28 -1.35 2.07 -1.23 -1.84 116.25 115.44 2vhb h VAL 132 Ca 0.51 -1.18 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 2vhb h VAL 132 Cb 1.05 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 2vhb h VAL 132 CO -0.25 0.41 0.02 -0.26 0.02 0.00 0.00 177.57 177.51 2vhb h PHE 133 N 0.79 0.53 -0.74 1.57 -1.00 -0.06 -2.25 116.94 115.77 2vhb h PHE 133 Ca 0.13 -0.08 0.07 0.00 2.81 0.00 0.00 57.97 60.90 2vhb h PHE 133 Cb 0.60 -0.14 -0.06 0.00 3.61 0.00 0.00 35.95 39.96 2vhb h PHE 133 CO 0.04 0.61 0.43 0.82 -1.61 0.00 0.00 178.31 178.60 2vhb h ILE 134 N 0.29 0.96 -0.17 -0.55 2.04 -0.74 0.85 117.51 120.19 2vhb h ILE 134 Ca 0.08 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 2vhb h ILE 134 Cb 0.39 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2vhb h ILE 134 CO 0.01 0.14 -0.01 1.56 0.00 0.00 0.00 178.15 179.85 2vhb h GLN 135 N 0.76 0.31 -0.80 2.37 1.08 -1.28 0.08 115.11 117.64 2vhb h GLN 135 Ca 0.34 -0.10 -0.02 0.00 -1.45 0.00 0.00 58.65 57.41 2vhb h GLN 135 Cb 0.23 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.60 2vhb h GLN 135 CO -0.20 0.54 0.41 0.28 -0.95 0.00 0.00 178.83 178.91 2vhb h VAL 136 N 0.05 1.24 -0.15 -0.54 2.07 -0.98 -0.68 116.25 117.27 2vhb h VAL 136 Ca 0.05 -0.65 -0.20 0.00 0.82 0.00 0.00 66.70 66.72 2vhb h VAL 136 Cb 0.40 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2vhb h VAL 136 CO 0.01 0.28 -0.72 -0.33 0.02 0.00 0.00 177.57 176.83 2vhb h GLU 137 N 1.13 0.66 -1.00 1.57 5.08 -0.67 -1.57 114.58 119.79 2vhb h GLU 137 Ca 0.28 -0.52 0.05 0.00 -1.00 0.00 0.00 59.36 58.18 2vhb h GLU 137 Cb 0.07 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 2vhb h GLU 137 CO -0.04 1.14 0.65 0.00 -1.00 0.00 0.00 179.01 179.75 2vhb h ALA 138 N 0.72 1.36 -0.11 3.43 0.00 -0.63 0.54 119.26 124.57 2vhb h ALA 138 Ca -0.03 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 2vhb h ALA 138 Cb 1.32 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2vhb h ALA 138 CO 0.14 0.48 -0.39 -0.44 0.00 0.00 0.00 179.25 179.04 2vhb h ASP 139 N 1.20 0.25 0.81 0.00 3.32 -1.05 -1.18 116.42 119.77 2vhb h ASP 139 Ca 0.42 -0.10 -0.24 0.00 0.02 0.00 0.00 57.03 57.12 2vhb h ASP 139 Cb 0.10 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2vhb h ASP 139 CO -0.16 0.62 -1.12 -0.07 -1.72 0.00 0.00 179.24 176.80 2vhb h LEU 140 N 0.20 0.22 -0.76 1.55 4.07 -0.12 0.25 115.31 120.73 2vhb h LEU 140 Ca 0.02 -0.23 -0.06 0.00 0.08 0.00 0.00 57.88 57.68 2vhb h LEU 140 Cb 0.79 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.43 2vhb h LEU 140 CO 0.06 1.18 0.20 1.88 -1.08 0.00 0.00 178.44 180.68 2vhb h TYR 141 N 0.04 1.19 -0.18 1.13 0.05 0.36 -1.44 116.97 118.12 2vhb h TYR 141 Ca -0.07 -0.13 -0.03 0.00 0.05 0.00 0.00 58.73 58.55 2vhb h TYR 141 Cb 1.87 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 39.26 2vhb h TYR 141 CO 0.03 0.95 0.00 0.00 -1.05 0.00 0.00 178.16 178.09 2vhb h ALA 142 N 1.13 0.25 -0.10 3.88 0.00 -1.17 -2.29 119.26 120.95 2vhb h ALA 142 Ca 0.23 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2vhb h ALA 142 Cb 0.34 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 2vhb h ALA 142 CO -0.00 -0.05 0.11 1.96 0.00 0.00 0.00 179.25 181.27 2vhb h GLN 143 N 0.08 0.00 0.00 0.00 4.20 -0.64 -2.31 115.11 116.44 2vhb h GLN 143 Ca 0.05 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 2vhb h GLN 143 Cb 0.38 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2vhb h GLN 143 CO 0.01 0.00 -0.17 0.00 -0.67 0.00 0.00 178.83 178.00 2vhb h ALA 144 N 1.88 1.19 0.00 3.87 0.00 -0.66 -3.51 119.26 122.04 2vhb h ALA 144 Ca 0.05 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2vhb h ALA 144 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2vhb h ALA 144 CO -0.00 0.21 0.00 1.55 0.00 0.00 0.00 179.25 181.01