#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hpg h ILE 5 N 0.00 1.14 0.00 2.41 2.04 -1.97 -1.75 117.51 119.38 3hpg h ILE 5 Ca 0.00 -0.34 -0.12 0.00 1.00 0.00 0.00 64.86 65.40 3hpg h ILE 5 Cb 0.00 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.12 3hpg h ILE 5 CO 0.00 0.18 -0.55 -0.65 0.00 0.00 0.00 178.15 177.13 3hpg h PRO 6 N 1.00 0.00 0.23 2.37 0.11 -2.02 -2.02 132.00 131.67 3hpg h PRO 6 Ca 0.31 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.41 3hpg h PRO 6 Cb 0.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.13 3hpg h PRO 6 CO -0.09 0.55 -0.11 1.25 -0.21 0.00 0.00 178.00 179.40 3hpg h LEU 7 N 0.00 -0.26 -0.80 2.35 6.46 -1.92 -2.53 115.31 118.62 3hpg h LEU 7 Ca -0.01 -0.22 0.16 0.00 -0.12 0.00 0.00 57.88 57.69 3hpg h LEU 7 Cb 1.07 0.07 -0.10 0.00 -0.73 0.00 0.00 40.66 40.97 3hpg h LEU 7 CO 0.07 0.11 0.33 0.00 -0.62 0.00 0.00 178.44 178.33 3hpg h ALA 8 N -0.01 1.17 -0.44 1.25 0.00 -1.22 0.45 119.26 120.45 3hpg h ALA 8 Ca -0.03 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3hpg h ALA 8 Cb 0.47 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3hpg h ALA 8 CO 0.05 -0.24 -0.06 1.49 0.00 0.00 0.00 179.25 180.49 3hpg h GLU 9 N 0.44 0.76 -0.08 0.00 4.81 -1.39 0.19 114.58 119.31 3hpg h GLU 9 Ca 0.46 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 3hpg h GLU 9 Cb 0.74 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.04 3hpg h GLU 9 CO -0.44 0.81 -0.04 1.49 -0.73 0.00 0.00 179.01 180.10 3hpg h GLU 10 N 0.70 0.16 0.00 1.92 4.81 -0.66 -2.44 114.58 119.07 3hpg h GLU 10 Ca 0.13 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 3hpg h GLU 10 Cb 0.52 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3hpg h GLU 10 CO 0.03 0.54 -0.35 1.49 -0.73 0.00 0.00 179.01 179.99 3hpg h GLU 11 N -0.21 0.00 -0.23 1.92 4.57 -0.87 -2.65 114.58 117.11 3hpg h GLU 11 Ca 0.02 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 3hpg h GLU 11 Cb 0.49 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 3hpg h GLU 11 CO 0.01 0.35 -0.04 1.25 -1.18 0.00 0.00 179.01 179.40 3hpg h HIS 12 N 0.00 0.49 0.00 0.92 2.76 -0.54 -2.86 115.15 115.92 3hpg h HIS 12 Ca -0.00 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.06 3hpg h HIS 12 Cb 0.82 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.66 3hpg h HIS 12 CO 0.00 0.66 0.24 -0.91 -1.30 0.00 0.00 177.93 176.62 3hpg h ASN 13 N 0.18 0.00 0.08 3.26 2.35 -1.06 0.41 115.58 120.80 3hpg h ASN 13 Ca 0.06 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.60 3hpg h ASN 13 Cb 0.49 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 3hpg h ASN 13 CO 0.02 0.00 -1.06 0.11 -1.65 0.00 0.00 177.43 174.85 3hpg h LYS 14 N 0.00 0.17 0.00 0.81 1.57 -1.50 -3.43 116.57 114.19 3hpg h LYS 14 Ca 0.00 -0.29 -0.03 0.00 -1.87 0.00 0.00 60.65 58.46 3hpg h LYS 14 Cb 0.49 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 3hpg h LYS 14 CO 0.00 1.14 -1.17 0.91 -0.57 0.00 0.00 179.45 179.76 3hpg n TRP 15 N -4.15 0.00 -2.88 -1.35 5.03 -0.56 -5.08 117.44 108.45 3hpg n TRP 15 Ca -0.22 0.00 -0.12 0.00 3.03 0.00 0.00 57.50 60.19 3hpg n TRP 15 Cb 0.78 -0.11 0.06 0.00 -1.03 0.00 0.00 31.31 31.01 3hpg n TRP 15 CO 0.00 0.00 0.00 0.72 -0.03 0.00 0.00 177.69 178.38 3hpg n HIS 16 N -1.90 -1.75 -1.98 -5.99 8.25 0.13 -5.03 115.22 106.96 3hpg n HIS 16 Ca -0.03 0.65 -0.30 0.00 -0.26 0.00 0.00 57.72 57.79 3hpg n HIS 16 Cb 0.38 -3.90 0.04 0.00 1.12 0.00 0.00 29.99 27.63 3hpg n HIS 16 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3hpg s GLN 17 N -4.36 3.01 1.00 -0.41 1.11 -1.26 -5.05 119.66 113.70 3hpg s GLN 17 Ca 0.22 0.43 -0.19 0.00 0.01 0.00 0.00 55.36 55.84 3hpg s GLN 17 Cb -0.03 -2.08 -0.12 0.00 -1.01 0.00 0.00 33.01 29.77 3hpg s GLN 17 CO 0.54 -0.89 -0.75 -0.25 0.01 0.00 0.00 175.29 173.95 3hpg n ASP 18 N -2.88 -4.79 0.02 5.90 8.00 -1.26 -4.78 116.55 116.76 3hpg n ASP 18 Ca 0.06 0.15 -0.03 0.00 0.71 0.00 0.00 54.79 55.68 3hpg n ASP 18 Cb 0.57 -0.78 0.21 0.00 -0.02 0.00 0.00 41.12 41.09 3hpg n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hpg h ALA 19 N -1.12 1.11 -0.17 2.24 0.00 -1.96 -2.61 119.26 116.74 3hpg h ALA 19 Ca -0.43 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 53.97 3hpg h ALA 19 Cb 1.32 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3hpg h ALA 19 CO 0.25 0.55 -0.57 0.28 0.00 0.00 0.00 179.25 179.76 3hpg h VAL 20 N 0.42 1.33 -0.37 0.00 2.07 -1.92 -1.93 116.25 115.84 3hpg h VAL 20 Ca 0.06 -1.84 -0.11 0.00 0.82 0.00 0.00 66.70 65.64 3hpg h VAL 20 Cb 0.66 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 3hpg h VAL 20 CO 0.05 0.57 -0.20 0.28 0.02 0.00 0.00 177.57 178.29 3hpg h SER 21 N 0.41 0.82 -0.94 0.57 0.02 -1.89 -0.89 113.55 111.66 3hpg h SER 21 Ca 0.00 -0.41 0.01 0.00 -0.84 0.00 0.00 61.79 60.55 3hpg h SER 21 Cb 1.12 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 63.39 3hpg h SER 21 CO 0.11 1.05 0.62 -0.07 -1.14 0.00 0.00 176.83 177.40 3hpg h LEU 22 N 0.59 1.08 -0.08 5.07 3.38 -1.38 -1.07 115.31 122.89 3hpg h LEU 22 Ca 0.08 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3hpg h LEU 22 Cb 0.75 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3hpg h LEU 22 CO 0.06 0.78 0.02 -0.74 0.09 0.00 0.00 178.44 178.65 3hpg h HIS 23 N 1.27 0.14 0.00 1.13 2.76 -1.17 -2.61 115.15 116.67 3hpg h HIS 23 Ca 0.34 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.50 3hpg h HIS 23 Cb -0.14 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 28.78 3hpg h HIS 23 CO -0.01 0.33 0.00 -0.07 -1.30 0.00 0.00 177.93 176.89 3hpg h LEU 24 N -0.10 0.00 0.00 0.26 3.38 -0.86 -1.67 115.31 116.33 3hpg h LEU 24 Ca 0.02 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.62 3hpg h LEU 24 Cb 0.27 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 3hpg h LEU 24 CO 0.00 0.00 -2.43 1.21 0.09 0.00 0.00 178.44 177.31 3hpg n GLU 25 N -2.89 0.65 -0.08 1.13 2.13 -0.43 -4.55 120.64 116.60 3hpg n GLU 25 Ca 0.02 0.12 0.08 0.00 0.66 0.00 0.00 57.16 58.04 3hpg n GLU 25 Cb 0.33 -1.51 0.12 0.00 0.27 0.00 0.00 31.44 30.65 3hpg n GLU 25 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 3hpg n PHE 26 N -3.16 0.22 -2.36 4.31 3.72 -0.99 -4.98 117.46 114.22 3hpg n PHE 26 Ca -0.43 -0.16 -0.16 0.00 -0.05 0.00 0.00 57.45 56.65 3hpg n PHE 26 Cb 1.00 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.53 3hpg n PHE 26 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hpg n GLY 27 N 0.95 -0.37 3.85 1.37 0.00 -0.63 -4.82 105.19 105.54 3hpg n GLY 27 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 3hpg n GLY 27 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hpg s ILE 28 N -2.80 4.59 0.21 -0.61 -4.36 -1.24 -5.00 121.20 111.99 3hpg s ILE 28 Ca 0.00 1.10 -0.32 0.00 -0.26 0.00 0.00 60.65 61.17 3hpg s ILE 28 Cb 0.00 -3.74 -0.13 0.00 1.25 0.00 0.00 42.46 39.83 3hpg s ILE 28 CO 0.00 -0.74 1.56 -2.65 0.24 0.00 0.00 174.94 173.35 3hpg n PRO 29 N -1.72 2.31 0.09 0.37 -0.02 -1.26 -4.61 135.00 130.16 3hpg n PRO 29 Ca 0.06 0.83 0.07 0.00 -2.02 0.00 0.00 63.50 62.44 3hpg n PRO 29 Cb 0.54 -2.58 0.36 0.00 -0.02 0.00 0.00 33.50 31.79 3hpg n PRO 29 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3hpg n ARG 30 N 2.96 0.09 0.07 -0.52 1.85 -1.26 0.21 116.66 120.06 3hpg n ARG 30 Ca 0.14 0.50 -0.09 0.00 -1.00 0.00 0.00 57.85 57.41 3hpg n ARG 30 Cb 0.32 -1.74 -0.12 0.00 -1.05 0.00 0.00 32.46 29.86 3hpg n ARG 30 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 3hpg h THR 31 N 0.00 1.66 -0.19 8.89 1.35 -1.96 -2.02 112.91 120.63 3hpg h THR 31 Ca 0.00 -3.34 -0.15 0.00 -0.55 0.00 0.00 66.41 62.37 3hpg h THR 31 Cb 0.10 2.86 -0.01 0.00 -1.73 0.00 0.00 68.15 69.38 3hpg h THR 31 CO 0.00 0.95 -0.50 0.00 -0.25 0.00 0.00 175.52 175.73 3hpg h ALA 32 N 0.91 0.77 -0.19 6.62 0.00 -0.59 -2.83 119.26 123.96 3hpg h ALA 32 Ca -0.04 -0.49 -0.08 0.00 0.00 0.00 0.00 54.91 54.30 3hpg h ALA 32 Cb 1.82 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.51 3hpg h ALA 32 CO 0.14 0.67 -0.20 0.00 0.00 0.00 0.00 179.25 179.86 3hpg h ALA 33 N 1.04 0.28 -0.01 0.00 0.00 -1.39 -2.53 119.26 116.65 3hpg h ALA 33 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3hpg h ALA 33 Cb 1.02 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3hpg h ALA 33 CO 0.09 0.22 0.03 0.93 0.00 0.00 0.00 179.25 180.52 3hpg h GLU 34 N 0.14 0.00 0.06 0.00 5.08 -1.36 -2.64 114.58 115.86 3hpg h GLU 34 Ca 0.03 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 3hpg h GLU 34 Cb 0.75 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.01 3hpg h GLU 34 CO 0.05 0.00 -0.50 -0.44 -1.00 0.00 0.00 179.01 177.12 3hpg h ASP 35 N 0.00 0.33 -1.00 1.42 3.32 -1.22 -2.18 116.42 117.09 3hpg h ASP 35 Ca 0.00 -0.90 0.14 0.00 0.02 0.00 0.00 57.03 56.29 3hpg h ASP 35 Cb 0.06 -0.10 -0.09 0.00 0.22 0.00 0.00 39.33 39.41 3hpg h ASP 35 CO -0.00 1.20 0.63 0.40 -1.72 0.00 0.00 179.24 179.75 3hpg h ILE 36 N -0.50 0.85 -0.04 0.35 2.04 -1.10 0.12 117.51 119.23 3hpg h ILE 36 Ca -0.08 -0.31 -0.23 0.00 1.00 0.00 0.00 64.86 65.24 3hpg h ILE 36 Cb 1.33 -0.14 0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3hpg h ILE 36 CO 0.09 0.17 -0.91 0.58 0.00 0.00 0.00 178.15 178.08 3hpg h VAL 37 N 0.91 1.34 0.00 1.67 2.07 -1.59 -2.99 116.25 117.67 3hpg h VAL 37 Ca 0.52 -2.26 -0.08 0.00 0.82 0.00 0.00 66.70 65.70 3hpg h VAL 37 Cb 0.63 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 3hpg h VAL 37 CO -0.30 0.69 -0.38 1.56 0.02 0.00 0.00 177.57 179.16 3hpg h GLN 38 N 0.34 0.00 -0.33 1.57 1.08 -0.63 -3.08 115.11 114.06 3hpg h GLN 38 Ca -0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 3hpg h GLN 38 Cb 1.54 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.97 3hpg h GLN 38 CO 0.17 0.38 0.00 1.04 -0.95 0.00 0.00 178.83 179.47 3hpg n GLN 39 N -3.76 2.14 -3.22 1.46 6.02 0.33 -4.84 117.38 115.51 3hpg n GLN 39 Ca -0.01 -1.73 -0.41 0.00 -0.01 0.00 0.00 57.00 54.84 3hpg n GLN 39 Cb 0.46 -1.44 -0.08 0.00 1.02 0.00 0.00 30.24 30.20 3hpg n GLN 39 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hpg h ASP 41 N 8.44 0.30 -0.46 0.00 3.32 -1.89 -1.71 116.42 124.43 3hpg h ASP 41 Ca -0.28 -0.01 0.09 0.00 0.02 0.00 0.00 57.03 56.86 3hpg h ASP 41 Cb 1.12 -0.07 -0.09 0.00 0.22 0.00 0.00 39.33 40.50 3hpg h ASP 41 CO 0.78 0.22 -0.20 0.58 -1.72 0.00 0.00 179.24 178.90 3hpg h VAL 42 N 0.35 0.40 -0.24 -1.35 2.07 -1.96 0.12 116.25 115.64 3hpg h VAL 42 Ca 0.10 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.47 3hpg h VAL 42 Cb -0.04 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 3hpg h VAL 42 CO -0.02 0.00 -0.45 0.00 0.02 0.00 0.00 177.57 177.12 3hpg h GLN 44 N 0.48 0.00 0.00 0.00 1.08 -0.71 -2.23 115.11 113.73 3hpg h GLN 44 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 3hpg h GLN 44 Cb 0.97 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.40 3hpg h GLN 44 CO 0.09 0.24 -0.12 0.39 -0.95 0.00 0.00 178.83 178.49 3hpg n GLU 45 N -3.70 0.05 -3.57 1.46 1.02 -0.03 -4.56 120.64 111.32 3hpg n GLU 45 Ca -0.01 0.04 -0.29 0.00 -0.02 0.00 0.00 57.16 56.87 3hpg n GLU 45 Cb 0.36 -1.55 -0.13 0.00 -0.02 0.00 0.00 31.44 30.09 3hpg n GLU 45 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3hpg s ASN 46 N -3.28 3.40 0.31 1.62 -0.87 -0.84 -5.11 114.94 110.18 3hpg s ASN 46 Ca 0.13 -2.00 0.08 0.00 -1.57 0.00 0.00 52.86 49.50 3hpg s ASN 46 Cb 0.18 -0.60 -0.04 0.00 -0.02 0.00 0.00 41.25 40.77 3hpg s ASN 46 CO 0.58 -0.35 0.15 -0.54 -2.57 0.00 0.00 177.10 174.37 3hpg s LYS 47 N 1.23 2.50 0.00 -0.60 -0.14 -1.25 -4.78 119.74 116.70 3hpg s LYS 47 Ca 0.15 -1.41 0.00 0.00 -1.36 0.00 0.00 55.97 53.35 3hpg s LYS 47 Cb -0.21 -2.28 0.00 0.00 -1.68 0.00 0.00 37.83 33.66 3hpg s LYS 47 CO -0.11 0.19 0.00 -1.33 -0.76 0.00 0.00 175.35 173.34 3hpg n MET 48 N -1.15 2.87 -3.65 1.68 2.00 -1.26 -5.17 117.12 112.43 3hpg n MET 48 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 57.70 57.27 3hpg n MET 48 Cb 0.60 0.00 -0.12 0.00 0.00 0.00 0.00 33.22 33.70 3hpg n MET 48 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 3hpg s GLY 59 N 0.00 1.88 0.26 3.03 0.00 -1.26 -5.35 107.32 105.87 3hpg s GLY 59 Ca 0.00 -1.55 -0.10 0.00 0.00 0.00 0.00 44.72 43.07 3hpg s GLY 59 CO 0.00 0.75 0.58 -0.42 0.00 0.00 0.00 173.10 174.01 3hpg s ILE 60 N 1.56 4.91 -1.39 0.90 -1.09 -1.26 -3.84 121.20 120.99 3hpg s ILE 60 Ca 0.03 0.47 -0.14 0.00 -2.23 0.00 0.00 60.65 58.78 3hpg s ILE 60 Cb -0.18 -3.64 0.12 0.00 -1.58 0.00 0.00 42.46 37.18 3hpg s ILE 60 CO 0.06 -0.14 0.56 0.47 -1.23 0.00 0.00 174.94 174.66 3hpg n ASP 61 N -0.32 -3.06 -4.37 3.58 8.00 -1.26 -4.75 116.55 114.36 3hpg n ASP 61 Ca 0.01 -0.64 -0.34 0.00 0.71 0.00 0.00 54.79 54.53 3hpg n ASP 61 Cb 0.53 -2.55 -0.14 0.00 -0.02 0.00 0.00 41.12 38.94 3hpg n ASP 61 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3hpg s HIS 62 N -3.00 2.94 0.21 1.24 2.46 -1.25 -0.83 115.29 117.06 3hpg s HIS 62 Ca 0.54 -0.70 0.10 0.00 0.47 0.00 0.00 55.06 55.48 3hpg s HIS 62 Cb -0.30 -2.01 -0.04 0.00 -0.13 0.00 0.00 32.58 30.09 3hpg s HIS 62 CO 0.67 -0.34 -0.15 -1.58 -2.47 0.00 0.00 174.74 170.87 3hpg s TRP 63 N 0.96 2.48 -0.07 3.88 0.52 -0.77 -1.00 118.94 124.93 3hpg s TRP 63 Ca -0.00 -0.28 0.03 0.00 0.02 0.00 0.00 56.10 55.86 3hpg s TRP 63 Cb -0.15 -1.19 -0.02 0.00 -1.15 0.00 0.00 33.47 30.97 3hpg s TRP 63 CO 0.00 0.55 -0.14 -1.14 0.02 0.00 0.00 176.95 176.24 3hpg s GLN 64 N -2.96 2.76 -0.10 4.98 0.74 -0.04 -0.82 119.66 124.22 3hpg s GLN 64 Ca 0.25 -0.69 -0.00 0.00 0.05 0.00 0.00 55.36 54.97 3hpg s GLN 64 Cb -0.08 -2.45 -0.03 0.00 1.10 0.00 0.00 33.01 31.56 3hpg s GLN 64 CO 0.14 0.50 -0.08 0.08 -0.55 0.00 0.00 175.29 175.38 3hpg s VAL 65 N -0.41 3.54 0.05 1.34 1.01 -0.57 -0.52 120.40 124.84 3hpg s VAL 65 Ca 0.05 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 3hpg s VAL 65 Cb -0.12 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.79 3hpg s VAL 65 CO 0.02 0.56 0.18 -0.62 0.00 0.00 0.00 175.10 175.24 3hpg s ASP 66 N -0.32 0.07 -0.08 3.32 -1.08 -0.83 -4.55 116.67 113.19 3hpg s ASP 66 Ca 0.04 -0.45 -0.13 0.00 -0.52 0.00 0.00 52.55 51.49 3hpg s ASP 66 Cb -0.13 0.29 -0.05 0.00 -1.46 0.00 0.00 42.92 41.58 3hpg s ASP 66 CO 0.02 -0.59 0.31 -0.31 0.52 0.00 0.00 175.17 175.13 3hpg s TYR 67 N -2.85 3.60 0.01 -5.34 2.02 -1.26 -0.53 117.35 113.00 3hpg s TYR 67 Ca -0.03 0.75 0.04 0.00 -0.37 0.00 0.00 57.07 57.47 3hpg s TYR 67 Cb 0.00 -2.24 -0.01 0.00 -0.40 0.00 0.00 41.96 39.31 3hpg s TYR 67 CO -0.05 0.51 -0.12 -0.08 -1.57 0.00 0.00 175.55 174.23 3hpg s THR 68 N -0.48 0.97 -0.11 -0.71 -1.32 0.42 -4.95 115.64 109.46 3hpg s THR 68 Ca 0.19 -0.73 -0.05 0.00 -1.21 0.00 0.00 61.69 59.89 3hpg s THR 68 Cb -0.14 -0.85 -0.04 0.00 -1.51 0.00 0.00 72.50 69.96 3hpg s THR 68 CO 0.08 0.12 0.07 -1.00 -2.21 0.00 0.00 174.62 171.68 3hpg s HIS 69 N -0.57 3.37 -0.33 9.09 0.09 -1.26 -0.98 115.29 124.71 3hpg s HIS 69 Ca 0.02 0.34 -0.01 0.00 -0.00 0.00 0.00 55.06 55.41 3hpg s HIS 69 Cb -0.06 -1.89 0.12 0.00 -0.00 0.00 0.00 32.58 30.75 3hpg s HIS 69 CO 0.00 0.56 0.18 -0.47 -0.00 0.00 0.00 174.74 175.01 3hpg s TYR 70 N -0.81 0.64 -0.75 1.40 5.04 -0.58 -4.99 117.35 117.31 3hpg s TYR 70 Ca 0.13 -1.37 -0.04 0.00 -2.44 0.00 0.00 57.07 53.35 3hpg s TYR 70 Cb -0.12 -0.97 -0.05 0.00 0.35 0.00 0.00 41.96 41.18 3hpg s TYR 70 CO 0.03 -0.83 0.66 -1.91 -1.34 0.00 0.00 175.55 172.16 3hpg n GLU 71 N 4.52 -1.58 -3.77 4.97 2.13 -1.26 -2.99 120.64 122.66 3hpg n GLU 71 Ca 0.04 0.70 -0.26 0.00 0.66 0.00 0.00 57.16 58.30 3hpg n GLU 71 Cb 0.39 -4.68 0.02 0.00 0.27 0.00 0.00 31.44 27.44 3hpg n GLU 71 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3hpg n ASP 72 N -2.65 -2.35 -3.65 4.31 9.92 -1.26 -4.98 116.55 115.90 3hpg n ASP 72 Ca -0.05 -0.95 -0.02 0.00 -0.53 0.00 0.00 54.79 53.25 3hpg n ASP 72 Cb 0.58 -3.52 -0.04 0.00 -0.64 0.00 0.00 41.12 37.50 3hpg n ASP 72 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3hpg s LYS 73 N -6.13 0.56 -0.10 -1.24 1.02 -1.16 -5.17 119.74 107.51 3hpg s LYS 73 Ca 0.17 1.43 -0.11 0.00 0.02 0.00 0.00 55.97 57.48 3hpg s LYS 73 Cb -0.06 0.84 -0.05 0.00 -0.52 0.00 0.00 37.83 38.05 3hpg s LYS 73 CO 0.85 -0.21 0.24 0.42 -0.92 0.00 0.00 175.35 175.74 3hpg s ILE 74 N 2.88 5.33 -0.11 2.17 1.01 -1.26 -1.52 121.20 129.69 3hpg s ILE 74 Ca -0.06 0.44 -0.00 0.00 0.00 0.00 0.00 60.65 61.04 3hpg s ILE 74 Cb -0.12 -3.54 0.02 0.00 0.01 0.00 0.00 42.46 38.84 3hpg s ILE 74 CO -0.19 0.54 -0.09 -0.63 0.00 0.00 0.00 174.94 174.58 3hpg s ILE 75 N -0.60 1.11 -0.31 2.92 1.01 -0.15 -0.82 121.20 124.36 3hpg s ILE 75 Ca 0.17 -0.35 -0.23 0.00 0.00 0.00 0.00 60.65 60.24 3hpg s ILE 75 Cb -0.13 -1.11 -0.00 0.00 0.01 0.00 0.00 42.46 41.23 3hpg s ILE 75 CO 0.06 0.38 0.75 -0.22 0.00 0.00 0.00 174.94 175.91 3hpg s LEU 76 N 1.58 4.11 -0.31 2.97 2.96 -0.45 -0.43 118.68 129.11 3hpg s LEU 76 Ca 0.03 0.56 0.02 0.00 -0.22 0.00 0.00 54.13 54.52 3hpg s LEU 76 Cb -0.13 -3.01 0.08 0.00 0.50 0.00 0.00 46.19 43.63 3hpg s LEU 76 CO -0.08 -0.60 -0.00 -0.69 -1.32 0.00 0.00 176.35 173.66 3hpg s VAL 77 N 2.90 2.46 0.01 1.68 1.01 0.31 -1.77 120.40 127.00 3hpg s VAL 77 Ca 0.31 -1.90 -0.19 0.00 0.00 0.00 0.00 61.98 60.20 3hpg s VAL 77 Cb -0.14 -2.60 -0.06 0.00 0.00 0.00 0.00 36.38 33.58 3hpg s VAL 77 CO 0.13 -0.32 0.53 0.26 0.00 0.00 0.00 175.10 175.70 3hpg s TRP 78 N 1.06 3.72 -0.11 5.22 0.52 0.22 -1.97 118.94 127.60 3hpg s TRP 78 Ca 0.01 1.14 -0.01 0.00 0.02 0.00 0.00 56.10 57.26 3hpg s TRP 78 Cb -0.20 -2.49 0.03 0.00 -1.15 0.00 0.00 33.47 29.66 3hpg s TRP 78 CO -0.05 0.48 -0.02 0.08 0.02 0.00 0.00 176.95 177.46 3hpg s VAL 79 N -0.63 0.67 -0.31 4.03 1.01 0.32 -0.76 120.40 124.73 3hpg s VAL 79 Ca 0.28 -0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.80 3hpg s VAL 79 Cb -0.18 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 3hpg s VAL 79 CO 0.16 0.22 1.65 -0.70 0.00 0.00 0.00 175.10 176.43 3hpg s GLU 80 N 1.84 3.54 0.00 2.72 -6.30 -0.38 -0.86 118.70 119.26 3hpg s GLU 80 Ca 0.04 1.40 0.13 0.00 -2.50 0.00 0.00 54.97 54.04 3hpg s GLU 80 Cb -0.13 -4.10 0.64 0.00 0.00 0.00 0.00 34.13 30.53 3hpg s GLU 80 CO -0.07 -1.61 1.36 0.25 0.02 0.00 0.00 175.26 175.21 3hpg n THR 81 N 7.02 0.75 -0.06 -1.70 -2.24 -0.17 -0.05 114.28 117.83 3hpg n THR 81 Ca 0.20 0.19 -0.02 0.00 -2.27 0.00 0.00 64.05 62.15 3hpg n THR 81 Cb 0.46 -0.97 -0.14 0.00 -2.10 0.00 0.00 70.33 67.59 3hpg n THR 81 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3hpg n ASN 82 N -1.33 0.84 -0.03 3.42 2.85 -1.26 -4.63 115.26 115.12 3hpg n ASN 82 Ca 0.06 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.52 3hpg n ASN 82 Cb 0.12 1.24 -0.07 0.00 1.24 0.00 0.00 39.78 42.31 3hpg n ASN 82 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 3hpg n SER 83 N -2.45 2.89 0.00 1.20 3.41 -1.16 -5.00 113.62 112.51 3hpg n SER 83 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 3hpg n SER 83 Cb 0.84 0.99 0.00 0.00 -0.26 0.00 0.00 64.21 65.79 3hpg n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hpg n GLY 84 N 2.27 0.62 3.76 5.00 0.00 0.93 -4.61 105.19 113.16 3hpg n GLY 84 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 3hpg n GLY 84 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hpg n LEU 85 N 0.00 4.56 -4.05 0.99 7.94 -1.24 -4.77 117.00 120.42 3hpg n LEU 85 Ca 0.00 1.18 -0.25 0.00 -1.11 0.00 0.00 56.01 55.84 3hpg n LEU 85 Cb 0.00 -1.61 -0.16 0.00 0.53 0.00 0.00 43.42 42.18 3hpg n LEU 85 CO 0.00 0.15 -0.48 -0.51 -1.11 0.00 0.00 177.39 175.45 3hpg s ILE 86 N -0.52 1.19 -0.18 1.96 2.07 -1.26 -1.25 121.20 123.21 3hpg s ILE 86 Ca 0.59 -0.54 0.00 0.00 -1.41 0.00 0.00 60.65 59.30 3hpg s ILE 86 Cb -0.49 -1.06 0.04 0.00 0.13 0.00 0.00 42.46 41.08 3hpg s ILE 86 CO 0.56 0.36 -0.11 -0.47 -1.91 0.00 0.00 174.94 173.37 3hpg s TYR 87 N 0.46 2.23 0.02 3.50 5.04 0.06 -4.94 117.35 123.70 3hpg s TYR 87 Ca -0.11 -1.40 0.04 0.00 -2.44 0.00 0.00 57.07 53.15 3hpg s TYR 87 Cb -0.14 -1.57 -0.02 0.00 0.35 0.00 0.00 41.96 40.58 3hpg s TYR 87 CO 0.03 -0.70 -0.12 0.00 -1.34 0.00 0.00 175.55 173.43 3hpg s ALA 88 N 1.46 0.95 0.02 3.97 0.00 -1.26 -0.61 121.76 126.29 3hpg s ALA 88 Ca 0.01 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.33 3hpg s ALA 88 Cb -0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 3hpg s ALA 88 CO -0.09 0.19 -0.03 -2.00 0.00 0.00 0.00 175.76 173.83 3hpg s GLU 89 N -0.76 0.35 -0.20 0.00 2.12 -0.73 -4.92 118.70 114.57 3hpg s GLU 89 Ca 0.01 -0.68 -0.29 0.00 0.36 0.00 0.00 54.97 54.37 3hpg s GLU 89 Cb -0.06 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.43 3hpg s GLU 89 CO 0.00 -0.05 1.02 0.50 -0.54 0.00 0.00 175.26 176.19 3hpg s ARG 90 N -1.73 4.30 0.32 4.30 3.52 -1.26 -1.34 118.95 127.06 3hpg s ARG 90 Ca -0.13 1.34 0.02 0.00 -0.13 0.00 0.00 55.73 56.83 3hpg s ARG 90 Cb -0.08 -3.61 -0.03 0.00 -1.56 0.00 0.00 34.95 29.67 3hpg s ARG 90 CO -0.02 -0.53 0.50 0.08 -0.81 0.00 0.00 175.30 174.52 3hpg s VAL 91 N 2.84 5.04 -0.02 7.11 1.01 0.00 -4.94 120.40 131.43 3hpg s VAL 91 Ca 0.45 -0.65 -0.21 0.00 0.00 0.00 0.00 61.98 61.57 3hpg s VAL 91 Cb -0.16 -3.82 -0.30 0.00 0.00 0.00 0.00 36.38 32.11 3hpg s VAL 91 CO 0.09 -0.46 0.97 0.11 0.00 0.00 0.00 175.10 175.81 3hpg h LYS 92 N 0.86 0.36 -2.80 2.72 6.56 -1.96 -3.38 116.57 118.94 3hpg h LYS 92 Ca -0.50 -0.54 0.05 0.00 -1.06 0.00 0.00 60.65 58.60 3hpg h LYS 92 Cb 1.23 0.19 -0.10 0.00 -0.57 0.00 0.00 32.23 32.98 3hpg h LYS 92 CO 0.61 1.23 0.30 0.20 -2.06 0.00 0.00 179.45 179.72 3hpg s GLY 93 N -4.35 -0.38 -0.01 3.86 0.00 -1.26 -4.87 107.32 100.32 3hpg s GLY 93 Ca -0.13 0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.86 3hpg s GLY 93 CO 0.84 0.09 1.19 1.18 0.00 0.00 0.00 173.10 176.40 3hpg n GLU 94 N -0.40 1.03 -2.09 2.90 1.02 -1.26 -4.74 120.64 117.10 3hpg n GLU 94 Ca -0.10 -0.06 -0.34 0.00 -0.02 0.00 0.00 57.16 56.64 3hpg n GLU 94 Cb 0.62 -1.02 0.02 0.00 -0.02 0.00 0.00 31.44 31.03 3hpg n GLU 94 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3hpg s THR 95 N -0.07 3.24 -0.16 2.62 -4.23 -1.26 -4.39 115.64 111.39 3hpg s THR 95 Ca 0.01 0.69 0.24 0.00 -1.18 0.00 0.00 61.69 61.46 3hpg s THR 95 Cb 0.01 -3.23 0.28 0.00 1.34 0.00 0.00 72.50 70.89 3hpg s THR 95 CO 0.00 -0.24 1.70 1.23 -0.54 0.00 0.00 174.62 176.77 3hpg h GLY 96 N 0.77 0.00 1.23 3.99 0.00 -1.90 -1.78 103.07 105.39 3hpg h GLY 96 Ca -0.49 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.58 3hpg h GLY 96 CO 0.56 0.00 -1.02 -1.61 0.00 0.00 0.00 176.54 174.47 3hpg h GLN 97 N 0.00 0.69 -0.06 4.80 4.15 -1.92 -1.45 115.11 121.32 3hpg h GLN 97 Ca -0.00 -0.73 -0.01 0.00 0.77 0.00 0.00 58.65 58.68 3hpg h GLN 97 Cb 0.92 0.20 -0.00 0.00 0.21 0.00 0.00 27.48 28.81 3hpg h GLN 97 CO 0.02 1.31 -0.00 1.49 -1.93 0.00 0.00 178.83 179.71 3hpg h GLU 98 N 0.40 0.10 -0.51 1.69 4.81 -1.87 -2.98 114.58 116.22 3hpg h GLU 98 Ca -0.12 -0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.17 3hpg h GLU 98 Cb 1.67 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.96 3hpg h GLU 98 CO 0.20 0.40 0.02 0.35 -0.73 0.00 0.00 179.01 179.25 3hpg h PHE 99 N -0.20 0.00 -0.97 0.92 3.57 -1.34 -0.05 116.94 118.87 3hpg h PHE 99 Ca 0.02 0.04 0.13 0.00 3.53 0.00 0.00 57.97 61.68 3hpg h PHE 99 Cb 0.35 0.08 -0.09 0.00 2.79 0.00 0.00 35.95 39.08 3hpg h PHE 99 CO 0.04 -0.10 0.60 0.00 -2.23 0.00 0.00 178.31 176.62 3hpg h ARG 100 N 0.14 0.88 -0.17 1.11 3.08 -1.24 0.30 114.38 118.48 3hpg h ARG 100 Ca 0.26 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 3hpg h ARG 100 Cb 0.38 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 3hpg h ARG 100 CO -0.41 0.58 -0.11 0.28 -1.07 0.00 0.00 179.97 179.25 3hpg h VAL 101 N 0.91 1.32 -0.98 2.04 2.07 -1.15 -2.72 116.25 117.74 3hpg h VAL 101 Ca 0.50 -1.20 0.15 0.00 0.82 0.00 0.00 66.70 66.97 3hpg h VAL 101 Cb 0.55 1.75 -0.09 0.00 -1.52 0.00 0.00 31.29 31.99 3hpg h VAL 101 CO -0.29 0.36 0.62 1.56 0.02 0.00 0.00 177.57 179.83 3hpg h GLN 102 N 0.03 0.82 0.00 1.57 1.08 -0.32 -2.08 115.11 116.22 3hpg h GLN 102 Ca 0.03 -0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 57.11 3hpg h GLN 102 Cb 0.61 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 3hpg h GLN 102 CO 0.03 0.54 -0.36 1.79 -0.95 0.00 0.00 178.83 179.88 3hpg h THR 103 N 0.85 1.06 -0.09 -0.54 1.35 -0.13 -1.48 112.91 113.94 3hpg h THR 103 Ca 0.52 -1.32 -0.01 0.00 -0.55 0.00 0.00 66.41 65.04 3hpg h THR 103 Cb 0.69 1.75 -0.00 0.00 -1.73 0.00 0.00 68.15 68.86 3hpg h THR 103 CO -0.29 0.35 0.02 0.24 -0.25 0.00 0.00 175.52 175.60 3hpg h MET 104 N 0.00 0.14 -0.27 4.72 2.86 -1.12 0.18 114.93 121.43 3hpg h MET 104 Ca -0.00 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 3hpg h MET 104 Cb 0.73 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 3hpg h MET 104 CO 0.05 0.32 0.04 0.87 1.06 0.00 0.00 176.91 179.25 3hpg h LYS 105 N -0.07 0.40 -0.02 1.72 1.57 -1.23 -1.69 116.57 117.25 3hpg h LYS 105 Ca 0.03 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3hpg h LYS 105 Cb 0.24 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 3hpg h LYS 105 CO 0.00 0.39 -0.03 2.35 -0.57 0.00 0.00 179.45 181.59 3hpg h TRP 106 N 0.39 0.07 -0.22 -1.35 7.01 -1.16 -3.04 115.95 117.66 3hpg h TRP 106 Ca 0.09 -0.03 0.06 0.00 2.11 0.00 0.00 58.89 61.13 3hpg h TRP 106 Cb 0.19 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 27.23 3hpg h TRP 106 CO 0.01 0.59 0.18 -0.92 -2.79 0.00 0.00 178.44 175.51 3hpg h TYR 107 N -0.47 0.00 0.05 2.65 3.20 -0.26 -2.12 116.97 120.03 3hpg h TYR 107 Ca 0.00 0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.63 3hpg h TYR 107 Cb 0.58 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.86 3hpg h TYR 107 CO 0.11 0.00 -1.06 0.00 -1.64 0.00 0.00 178.16 175.58 3hpg h ALA 108 N 1.84 0.26 0.01 1.82 0.00 -1.27 -3.39 119.26 118.53 3hpg h ALA 108 Ca 0.11 -0.77 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 3hpg h ALA 108 Cb 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3hpg h ALA 108 CO -0.00 0.86 -0.04 0.52 0.00 0.00 0.00 179.25 180.59 3hpg h MET 109 N 0.18 0.02 -6.19 0.00 2.86 -1.27 -3.44 114.93 107.08 3hpg h MET 109 Ca -0.10 -0.03 -0.50 0.00 -2.06 0.00 0.00 59.70 57.01 3hpg h MET 109 Cb 1.72 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 33.35 3hpg h MET 109 CO 0.18 0.95 -0.46 -0.06 1.06 0.00 0.00 176.91 178.58 3hpg s PHE 110 N -2.48 2.91 -0.67 -0.22 0.08 -1.09 -5.07 117.98 111.44 3hpg s PHE 110 Ca -0.18 -0.29 0.05 0.00 0.12 0.00 0.00 56.93 56.62 3hpg s PHE 110 Cb -0.02 -1.75 0.16 0.00 -0.57 0.00 0.00 43.02 40.84 3hpg s PHE 110 CO 0.70 0.22 0.46 0.00 -0.10 0.00 0.00 175.22 176.50 3hpg s ALA 111 N -2.30 3.64 0.61 5.36 0.00 -1.26 -4.43 121.76 123.37 3hpg s ALA 111 Ca 0.40 -3.71 -0.17 0.00 0.00 0.00 0.00 51.96 48.48 3hpg s ALA 111 Cb -0.06 -2.14 -0.03 0.00 0.00 0.00 0.00 23.12 20.90 3hpg s ALA 111 CO 0.26 -2.08 1.12 -1.25 0.00 0.00 0.00 175.76 173.81 3hpg s PRO 112 N -1.25 3.05 -0.21 0.00 0.05 -1.26 -5.00 135.00 130.38 3hpg s PRO 112 Ca 0.24 1.51 0.02 0.00 0.05 0.00 0.00 61.00 62.83 3hpg s PRO 112 Cb -0.06 -1.97 -0.14 0.00 0.05 0.00 0.00 34.50 32.37 3hpg s PRO 112 CO -0.15 -1.07 -0.17 1.63 0.05 0.00 0.00 177.00 177.28 3hpg n LYS 113 N -1.89 0.58 -3.88 4.56 4.01 -0.01 -4.88 118.16 116.65 3hpg n LYS 113 Ca 0.11 0.11 -0.09 0.00 -0.51 0.00 0.00 58.31 57.94 3hpg n LYS 113 Cb 0.51 -1.42 -0.07 0.00 -0.51 0.00 0.00 35.03 33.54 3hpg n LYS 113 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3hpg s SER 114 N -5.99 0.13 -0.07 4.39 1.04 -1.02 -2.03 113.70 110.15 3hpg s SER 114 Ca -0.27 -0.69 -0.06 0.00 0.48 0.00 0.00 55.95 55.40 3hpg s SER 114 Cb 0.07 0.34 0.02 0.00 0.10 0.00 0.00 66.02 66.55 3hpg s SER 114 CO 0.50 -0.74 0.18 -0.22 0.98 0.00 0.00 173.24 173.95 3hpg s LEU 115 N -2.87 1.31 0.00 2.42 2.96 -0.13 -1.85 118.68 120.52 3hpg s LEU 115 Ca 0.06 0.36 0.06 0.00 -0.22 0.00 0.00 54.13 54.39 3hpg s LEU 115 Cb 0.05 0.63 -0.03 0.00 0.50 0.00 0.00 46.19 47.34 3hpg s LEU 115 CO -0.10 -0.07 -0.18 -1.10 -1.32 0.00 0.00 176.35 173.58 3hpg s GLN 116 N 0.07 2.21 -0.00 1.98 -0.21 -0.00 -1.17 119.66 122.53 3hpg s GLN 116 Ca -0.00 -0.88 -0.29 0.00 0.02 0.00 0.00 55.36 54.21 3hpg s GLN 116 Cb -0.01 -2.22 0.10 0.00 1.00 0.00 0.00 33.01 31.87 3hpg s GLN 116 CO 0.00 0.57 0.89 -1.54 -2.12 0.00 0.00 175.29 173.09 3hpg s SER 117 N -1.08 -0.36 1.10 5.90 1.04 -1.08 -1.51 113.70 117.70 3hpg s SER 117 Ca 0.13 -0.01 -0.14 0.00 0.48 0.00 0.00 55.95 56.41 3hpg s SER 117 Cb -0.10 0.39 0.24 0.00 0.10 0.00 0.00 66.02 66.64 3hpg s SER 117 CO 0.03 -0.63 1.08 1.51 0.98 0.00 0.00 173.24 176.21 3hpg s ASP 118 N -2.49 1.77 0.00 7.02 3.84 -1.26 -4.27 116.67 121.27 3hpg s ASP 118 Ca 0.05 1.08 0.00 0.00 -0.00 0.00 0.00 52.55 53.68 3hpg s ASP 118 Cb -0.01 -1.66 0.00 0.00 -1.38 0.00 0.00 42.92 39.87 3hpg s ASP 118 CO -0.09 -3.65 0.63 0.59 -0.00 0.00 0.00 175.17 172.65 3hpg n ASN 119 N -4.51 1.70 -4.41 2.11 3.02 -1.26 -4.76 115.26 107.15 3hpg n ASN 119 Ca 0.07 -1.66 -0.35 0.00 -0.03 0.00 0.00 54.58 52.60 3hpg n ASN 119 Cb 0.58 -0.42 0.08 0.00 -0.61 0.00 0.00 39.78 39.41 3hpg n ASN 119 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hpg n GLY 120 N 0.35 -1.94 0.27 7.41 0.00 -1.26 -4.67 105.19 105.34 3hpg n GLY 120 Ca 0.00 -0.52 -0.16 0.00 0.00 0.00 0.00 46.02 45.34 3hpg n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hpg h PRO 121 N -0.77 -0.61 -0.93 1.61 0.11 -1.91 -1.71 132.00 127.79 3hpg h PRO 121 Ca -0.45 0.04 0.17 0.00 0.11 0.00 0.00 66.00 65.88 3hpg h PRO 121 Cb 1.33 0.14 -0.08 0.00 0.11 0.00 0.00 31.00 32.50 3hpg h PRO 121 CO 0.39 -0.37 0.59 0.00 -0.21 0.00 0.00 178.00 178.40 3hpg h ALA 122 N -0.17 1.90 0.07 -0.75 0.00 -1.88 -0.50 119.26 117.91 3hpg h ALA 122 Ca -0.06 0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 3hpg h ALA 122 Cb 0.51 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3hpg h ALA 122 CO 0.11 -0.18 -1.09 0.74 0.00 0.00 0.00 179.25 178.83 3hpg h PHE 123 N 0.64 0.45 0.00 0.00 0.04 -1.81 -3.33 116.94 112.93 3hpg h PHE 123 Ca 0.49 -0.29 -0.06 0.00 2.80 0.00 0.00 57.97 60.91 3hpg h PHE 123 Cb 0.89 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 39.00 3hpg h PHE 123 CO -0.00 1.18 -1.24 0.28 -0.60 0.00 0.00 178.31 177.93 3hpg n VAL 124 N -3.60 0.75 -1.04 -0.55 0.31 -0.67 -4.54 118.33 109.00 3hpg n VAL 124 Ca -0.07 -0.59 -0.34 0.00 -0.01 0.00 0.00 64.34 63.34 3hpg n VAL 124 Cb 0.93 -0.43 -0.00 0.00 -0.91 0.00 0.00 33.84 33.43 3hpg n VAL 124 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hpg n ALA 125 N -2.26 -2.66 -0.13 3.52 0.00 -0.24 -4.65 120.51 114.08 3hpg n ALA 125 Ca -0.04 0.10 -0.11 0.00 0.00 0.00 0.00 53.44 53.39 3hpg n ALA 125 Cb 0.65 -1.18 0.02 0.00 0.00 0.00 0.00 19.45 18.94 3hpg n ALA 125 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3hpg h GLU 126 N 0.27 0.93 -0.70 0.00 4.81 -1.93 -1.39 114.58 116.57 3hpg h GLU 126 Ca -0.29 -0.41 -0.05 0.00 -0.13 0.00 0.00 59.36 58.47 3hpg h GLU 126 Cb 1.16 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 3hpg h GLU 126 CO 0.38 1.07 0.22 0.77 -0.73 0.00 0.00 179.01 180.72 3hpg h SER 127 N 0.79 1.01 -0.25 1.04 0.02 -1.97 -1.70 113.55 112.49 3hpg h SER 127 Ca 0.10 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 60.81 3hpg h SER 127 Cb 0.82 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3hpg h SER 127 CO 0.07 0.93 -0.08 0.74 -1.14 0.00 0.00 176.83 177.36 3hpg h THR 128 N 1.04 1.29 -0.34 -2.27 2.02 -1.81 -1.93 112.91 110.90 3hpg h THR 128 Ca 0.23 -1.10 0.03 0.00 0.77 0.00 0.00 66.41 66.34 3hpg h THR 128 Cb 0.29 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 3hpg h THR 128 CO -0.01 0.34 0.23 -0.61 0.37 0.00 0.00 175.52 175.85 3hpg h GLN 129 N 0.22 0.32 0.02 6.66 4.15 -0.94 -1.65 115.11 123.88 3hpg h GLN 129 Ca 0.06 -0.02 -0.26 0.00 0.77 0.00 0.00 58.65 59.20 3hpg h GLN 129 Cb 0.55 -0.07 0.02 0.00 0.21 0.00 0.00 27.48 28.19 3hpg h GLN 129 CO 0.03 0.21 -1.04 -0.07 -1.93 0.00 0.00 178.83 176.02 3hpg h LEU 130 N 0.33 0.76 -1.03 -2.39 3.38 -1.16 -3.05 115.31 112.15 3hpg h LEU 130 Ca 0.14 -0.63 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 3hpg h LEU 130 Cb 0.16 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3hpg h LEU 130 CO -0.03 1.43 0.41 0.25 0.09 0.00 0.00 178.44 180.59 3hpg h LEU 131 N 0.31 0.98 -0.86 1.67 5.85 -0.78 0.30 115.31 122.78 3hpg h LEU 131 Ca -0.12 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.45 3hpg h LEU 131 Cb 1.69 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.45 3hpg h LEU 131 CO 0.20 0.80 0.21 0.24 -0.34 0.00 0.00 178.44 179.54 3hpg h MET 132 N 1.09 1.05 -0.21 1.25 2.86 -1.36 -1.68 114.93 117.93 3hpg h MET 132 Ca 0.27 -0.22 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 3hpg h MET 132 Cb 0.05 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 3hpg h MET 132 CO -0.04 0.90 -0.02 0.87 1.06 0.00 0.00 176.91 179.68 3hpg h LYS 133 N 1.01 0.39 -1.00 1.72 6.56 -1.32 -0.01 116.57 123.92 3hpg h LYS 133 Ca 0.22 -0.13 0.16 0.00 -1.06 0.00 0.00 60.65 59.84 3hpg h LYS 133 Cb 0.29 -0.03 -0.09 0.00 -0.57 0.00 0.00 32.23 31.83 3hpg h LYS 133 CO -0.01 0.60 0.62 -0.92 -2.06 0.00 0.00 179.45 177.68 3hpg h TYR 134 N 0.14 1.08 0.00 -1.35 3.20 -0.66 -0.58 116.97 118.79 3hpg h TYR 134 Ca 0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3hpg h TYR 134 Cb 0.44 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.37 3hpg h TYR 134 CO 0.04 0.33 -0.30 1.28 -1.64 0.00 0.00 178.16 177.87 3hpg n LEU 135 N -4.69 0.31 -1.32 2.82 4.77 -0.66 -4.95 117.00 113.28 3hpg n LEU 135 Ca 0.21 0.20 -0.03 0.00 -0.03 0.00 0.00 56.01 56.36 3hpg n LEU 135 Cb 0.48 -0.35 0.01 0.00 -2.33 0.00 0.00 43.42 41.24 3hpg n LEU 135 CO 0.24 0.08 0.02 0.61 -1.33 0.00 0.00 177.39 177.01 3hpg n GLY 136 N 1.50 0.37 3.15 -0.72 0.00 -0.23 -5.07 105.19 104.19 3hpg n GLY 136 Ca 0.06 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 3hpg n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hpg s ILE 137 N -3.05 1.82 -0.92 -0.61 1.01 -0.07 -4.84 121.20 114.53 3hpg s ILE 137 Ca 0.01 -0.86 -0.23 0.00 0.00 0.00 0.00 60.65 59.58 3hpg s ILE 137 Cb -0.01 -1.61 0.06 0.00 0.01 0.00 0.00 42.46 40.92 3hpg s ILE 137 CO 0.11 0.51 1.32 -1.61 0.00 0.00 0.00 174.94 175.26 3hpg s GLU 138 N 0.65 3.48 -0.46 2.79 2.02 -0.86 -4.47 118.70 121.85 3hpg s GLU 138 Ca -0.12 -1.06 -0.18 0.00 0.02 0.00 0.00 54.97 53.62 3hpg s GLU 138 Cb -0.16 -4.96 0.04 0.00 0.10 0.00 0.00 34.13 29.15 3hpg s GLU 138 CO 0.03 -2.08 0.52 -1.58 0.02 0.00 0.00 175.26 172.17 3hpg s HIS 139 N 4.59 3.13 0.05 1.61 5.65 -1.26 -0.95 115.29 128.10 3hpg s HIS 139 Ca 0.39 -0.50 -0.10 0.00 0.25 0.00 0.00 55.06 55.11 3hpg s HIS 139 Cb -0.04 -3.22 -0.05 0.00 -1.18 0.00 0.00 32.58 28.09 3hpg s HIS 139 CO -0.04 -0.86 0.36 0.95 -0.65 0.00 0.00 174.74 174.51 3hpg s THR 140 N 2.31 5.15 -0.72 0.89 -4.23 -0.32 -4.97 115.64 113.75 3hpg s THR 140 Ca 0.13 0.42 0.01 0.00 -1.18 0.00 0.00 61.69 61.06 3hpg s THR 140 Cb -0.19 -3.63 0.18 0.00 1.34 0.00 0.00 72.50 70.21 3hpg s THR 140 CO 0.12 0.35 0.54 -0.89 -0.54 0.00 0.00 174.62 174.21 3hpg s THR 141 N -1.32 3.56 -2.07 3.99 2.01 -1.26 -2.63 115.64 117.92 3hpg s THR 141 Ca 0.30 -3.68 0.13 0.00 0.31 0.00 0.00 61.69 58.75 3hpg s THR 141 Cb -0.14 -3.29 0.33 0.00 0.01 0.00 0.00 72.50 69.40 3hpg s THR 141 CO 0.17 -0.97 1.33 -2.65 -0.69 0.00 0.00 174.62 171.80 3hpg n PRO 147 N 2.63 1.68 -0.05 4.92 -0.02 -1.26 -4.88 135.00 138.02 3hpg n PRO 147 Ca 0.15 -1.05 -0.04 0.00 -2.02 0.00 0.00 63.50 60.53 3hpg n PRO 147 Cb 0.36 -1.28 -0.09 0.00 -0.02 0.00 0.00 33.50 32.47 3hpg n PRO 147 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3hpg n GLN 148 N 0.33 1.99 0.10 -0.52 6.02 -1.26 -3.56 117.38 120.48 3hpg n GLN 148 Ca 0.12 -0.02 -0.20 0.00 -0.01 0.00 0.00 57.00 56.89 3hpg n GLN 148 Cb 0.27 -1.29 -0.12 0.00 1.02 0.00 0.00 30.24 30.11 3hpg n GLN 148 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3hpg h SER 149 N 0.00 0.75 0.40 1.08 4.64 -2.04 -2.45 113.55 115.92 3hpg h SER 149 Ca -0.28 -0.71 -0.04 0.00 -0.47 0.00 0.00 61.79 60.28 3hpg h SER 149 Cb 1.59 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 63.43 3hpg h SER 149 CO 0.02 1.53 -0.21 1.56 -0.87 0.00 0.00 176.83 178.86 3hpg h GLN 150 N 0.22 0.00 0.31 4.77 1.08 -2.00 -2.08 115.11 117.41 3hpg h GLN 150 Ca -0.18 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.01 3hpg h GLN 150 Cb 1.92 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.36 3hpg h GLN 150 CO 0.23 0.21 -0.15 0.00 -0.95 0.00 0.00 178.83 178.17 3hpg h ALA 151 N 1.79 -0.42 -0.86 3.87 0.00 -1.60 -1.94 119.26 120.10 3hpg h ALA 151 Ca -0.00 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 54.91 3hpg h ALA 151 Cb 0.47 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 3hpg h ALA 151 CO 0.03 -0.40 0.55 1.25 0.00 0.00 0.00 179.25 180.69 3hpg h LEU 152 N -1.09 0.69 0.31 0.00 5.85 -1.45 -0.99 115.31 118.63 3hpg h LEU 152 Ca -0.04 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3hpg h LEU 152 Cb 0.37 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.29 3hpg h LEU 152 CO 0.07 0.39 -0.15 0.58 -0.34 0.00 0.00 178.44 178.99 3hpg h VAL 153 N 0.75 0.30 -0.81 1.05 2.07 -1.48 -2.49 116.25 115.64 3hpg h VAL 153 Ca 0.41 -0.79 0.17 0.00 0.82 0.00 0.00 66.70 67.31 3hpg h VAL 153 Cb 0.54 0.50 -0.15 0.00 -1.52 0.00 0.00 31.29 30.66 3hpg h VAL 153 CO -0.17 0.08 -0.16 -0.08 0.02 0.00 0.00 177.57 177.25 3hpg h GLU 154 N -1.04 0.01 -0.45 1.57 4.57 -1.21 0.40 114.58 118.43 3hpg h GLU 154 Ca -0.04 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 3hpg h GLU 154 Cb 0.44 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 3hpg h GLU 154 CO 0.07 0.01 0.21 0.00 -1.18 0.00 0.00 179.01 178.12 3hpg h ARG 155 N 0.01 0.66 -0.21 1.92 -0.00 -1.21 0.26 114.38 115.81 3hpg h ARG 155 Ca 0.40 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.98 59.77 3hpg h ARG 155 Cb 0.64 -0.12 -0.01 0.00 0.00 0.00 0.00 29.97 30.49 3hpg h ARG 155 CO -0.81 0.57 0.09 1.15 0.00 0.00 0.00 179.97 180.97 3hpg h THR 156 N 0.59 1.16 -0.46 2.04 2.02 -0.55 -0.40 112.91 117.33 3hpg h THR 156 Ca 0.16 -0.50 -0.04 0.00 0.77 0.00 0.00 66.41 66.80 3hpg h THR 156 Cb 0.14 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 3hpg h THR 156 CO -0.02 0.16 0.13 0.45 0.37 0.00 0.00 175.52 176.62 3hpg h HIS 157 N 0.19 0.68 -0.08 3.16 -0.00 -0.16 -0.69 115.15 118.25 3hpg h HIS 157 Ca 0.07 -0.04 -0.05 0.00 -0.00 0.00 0.00 60.37 60.35 3hpg h HIS 157 Cb 0.18 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.38 3hpg h HIS 157 CO -0.01 0.57 -0.15 1.96 -0.00 0.00 0.00 177.93 180.29 3hpg h GLN 158 N 0.66 0.24 -0.38 2.45 4.20 -0.80 -2.58 115.11 118.90 3hpg h GLN 158 Ca 0.15 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.72 3hpg h GLN 158 Cb 0.21 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 3hpg h GLN 158 CO -0.01 0.74 0.25 1.15 -0.67 0.00 0.00 178.83 180.30 3hpg h THR 159 N -0.22 1.08 0.28 -0.54 2.02 -0.87 0.13 112.91 114.79 3hpg h THR 159 Ca 0.00 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 3hpg h THR 159 Cb 0.73 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3hpg h THR 159 CO 0.03 0.09 -0.14 0.25 0.37 0.00 0.00 175.52 176.13 3hpg h LEU 160 N 0.49 -0.32 -0.24 2.58 5.85 -1.09 -0.52 115.31 122.06 3hpg h LEU 160 Ca 0.14 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3hpg h LEU 160 Cb -0.01 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 3hpg h LEU 160 CO -0.03 -0.05 0.13 0.11 -0.34 0.00 0.00 178.44 178.26 3hpg h LYS 161 N -0.61 0.27 -0.34 1.25 1.57 -1.22 -0.87 116.57 116.61 3hpg h LYS 161 Ca -0.04 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3hpg h LYS 161 Cb 0.44 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 3hpg h LYS 161 CO 0.06 0.18 0.10 -0.97 -0.57 0.00 0.00 179.45 178.25 3hpg h ASN 162 N 0.27 0.08 1.45 0.86 -1.24 -0.70 -1.77 115.58 114.53 3hpg h ASN 162 Ca 0.09 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.15 3hpg h ASN 162 Cb 0.01 0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.10 3hpg h ASN 162 CO -0.05 0.08 0.00 0.71 -1.29 0.00 0.00 177.43 176.88 3hpg h THR 163 N 0.23 0.00 0.07 -3.57 1.35 -0.99 -2.57 112.91 107.43 3hpg h THR 163 Ca 0.16 -0.52 -0.00 0.00 -0.55 0.00 0.00 66.41 65.49 3hpg h THR 163 Cb 0.15 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 3hpg h THR 163 CO -0.18 0.00 -0.03 -0.07 -0.25 0.00 0.00 175.52 174.99 3hpg h LEU 164 N 0.00 -0.08 -1.67 3.87 3.38 -0.69 -2.65 115.31 117.48 3hpg h LEU 164 Ca 0.00 -0.18 0.24 0.00 0.09 0.00 0.00 57.88 58.03 3hpg h LEU 164 Cb 0.73 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.44 3hpg h LEU 164 CO 0.00 0.13 0.63 -0.08 0.09 0.00 0.00 178.44 179.21 3hpg h GLU 165 N -0.29 0.25 0.02 1.13 4.57 -0.93 0.90 114.58 120.24 3hpg h GLU 165 Ca -0.01 -0.01 -0.21 0.00 -1.18 0.00 0.00 59.36 57.95 3hpg h GLU 165 Cb 0.25 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 3hpg h GLU 165 CO 0.02 0.16 -0.96 0.87 -1.18 0.00 0.00 179.01 177.92 3hpg h LYS 166 N 0.25 0.13 0.00 1.92 1.57 -1.41 -3.39 116.57 115.65 3hpg h LYS 166 Ca 0.48 -0.17 -0.38 0.00 -1.87 0.00 0.00 60.65 58.70 3hpg h LYS 166 Cb 1.44 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.73 3hpg h LYS 166 CO -0.13 0.99 -2.44 1.28 -0.57 0.00 0.00 179.45 178.58 3hpg n LEU 167 N -3.55 2.31 0.23 2.94 4.77 -0.25 -4.58 117.00 118.88 3hpg n LEU 167 Ca -0.03 -0.09 0.17 0.00 -0.03 0.00 0.00 56.01 56.02 3hpg n LEU 167 Cb 0.87 -0.61 0.85 0.00 -2.33 0.00 0.00 43.42 42.21 3hpg n LEU 167 CO 0.48 0.84 1.14 0.16 -1.33 0.00 0.00 177.39 178.68 3hpg h ILE 168 N 0.00 0.48 0.00 -0.08 3.07 -1.09 0.43 117.51 120.33 3hpg h ILE 168 Ca -0.57 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 65.83 3hpg h ILE 168 Cb 1.98 0.88 -0.00 0.00 -0.27 0.00 0.00 36.82 39.40 3hpg h ILE 168 CO -0.06 0.00 -0.04 -0.65 -1.05 0.00 0.00 178.15 176.35 3hpg h PRO 169 N 0.00 0.00 -0.02 0.16 0.11 -1.81 -2.93 132.00 127.52 3hpg h PRO 169 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3hpg h PRO 169 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.48 3hpg h PRO 169 CO -0.00 0.04 -0.16 -1.33 -0.21 0.00 0.00 178.00 176.34 3hpg n MET 170 N -3.31 1.59 -4.61 1.05 2.81 0.15 -4.91 117.12 109.90 3hpg n MET 170 Ca -0.02 -1.17 -0.24 0.00 -1.81 0.00 0.00 57.70 54.47 3hpg n MET 170 Cb 0.20 -1.48 -0.16 0.00 -0.71 0.00 0.00 33.22 31.07 3hpg n MET 170 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3hpg s PHE 171 N -2.21 1.45 0.06 2.03 0.08 -1.11 -5.03 117.98 113.26 3hpg s PHE 171 Ca 0.28 -0.50 -0.27 0.00 0.12 0.00 0.00 56.93 56.55 3hpg s PHE 171 Cb 0.20 -1.05 -0.17 0.00 -0.57 0.00 0.00 43.02 41.43 3hpg s PHE 171 CO 0.42 -0.25 1.60 -0.97 -0.10 0.00 0.00 175.22 175.92 3hpg h ASN 172 N 6.81 -0.34 -3.47 1.36 -0.00 -1.91 -3.43 115.58 114.61 3hpg h ASN 172 Ca -0.31 -0.04 -0.53 0.00 -0.00 0.00 0.00 56.30 55.41 3hpg h ASN 172 Cb 1.18 0.09 -0.03 0.00 -0.00 0.00 0.00 38.32 39.56 3hpg h ASN 172 CO 0.48 -0.18 0.03 0.00 -0.00 0.00 0.00 177.43 177.76 3hpg s ALA 173 N -5.83 3.48 0.10 1.57 0.00 -1.26 -4.98 121.76 114.83 3hpg s ALA 173 Ca -0.15 0.04 -0.17 0.00 0.00 0.00 0.00 51.96 51.68 3hpg s ALA 173 Cb 0.04 -2.70 -0.06 0.00 0.00 0.00 0.00 23.12 20.40 3hpg s ALA 173 CO 0.63 0.38 1.53 0.35 0.00 0.00 0.00 175.76 178.64 3hpg h PHE 174 N 3.48 0.61 -0.99 0.00 3.57 -1.94 -2.65 116.94 119.01 3hpg h PHE 174 Ca -0.48 -0.11 0.16 0.00 3.53 0.00 0.00 57.97 61.06 3hpg h PHE 174 Cb 1.19 -0.15 -0.09 0.00 2.79 0.00 0.00 35.95 39.69 3hpg h PHE 174 CO 0.64 0.70 0.62 0.93 -2.23 0.00 0.00 178.31 178.97 3hpg h GLU 175 N 0.34 0.81 0.00 1.11 3.07 -1.98 0.71 114.58 118.64 3hpg h GLU 175 Ca 0.08 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.36 58.76 3hpg h GLU 175 Cb 0.47 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 3hpg h GLU 175 CO 0.02 0.54 -0.63 0.66 -1.40 0.00 0.00 179.01 178.19 3hpg h SER 176 N 0.84 0.00 -0.09 1.42 4.64 -1.95 -2.02 113.55 116.39 3hpg h SER 176 Ca 0.53 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.75 3hpg h SER 176 Cb 0.73 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 3hpg h SER 176 CO -0.31 0.63 -0.27 0.00 -0.87 0.00 0.00 176.83 176.02 3hpg h ALA 177 N 1.37 1.03 -0.35 5.18 0.00 -0.69 -0.57 119.26 125.23 3hpg h ALA 177 Ca -0.01 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 3hpg h ALA 177 Cb 1.39 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3hpg h ALA 177 CO 0.08 0.58 -0.21 1.25 0.00 0.00 0.00 179.25 180.96 3hpg h LEU 178 N 0.47 0.79 -0.15 0.00 5.85 -0.80 -1.54 115.31 119.93 3hpg h LEU 178 Ca 0.06 -0.42 0.02 0.00 0.84 0.00 0.00 57.88 58.39 3hpg h LEU 178 Cb 0.71 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3hpg h LEU 178 CO 0.05 1.04 -0.00 0.00 -0.34 0.00 0.00 178.44 179.19 3hpg h ALA 179 N 0.78 0.13 -0.73 1.25 0.00 -1.26 -1.74 119.26 117.69 3hpg h ALA 179 Ca 0.07 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.14 3hpg h ALA 179 Cb 0.76 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 3hpg h ALA 179 CO 0.06 -0.45 0.34 0.78 0.00 0.00 0.00 179.25 179.98 3hpg h GLY 180 N 0.05 1.10 1.80 0.00 0.00 -0.96 -1.37 103.07 103.68 3hpg h GLY 180 Ca 0.07 -0.20 -0.10 0.00 0.00 0.00 0.00 47.33 47.10 3hpg h GLY 180 CO -0.12 0.00 -0.40 -0.91 0.00 0.00 0.00 176.54 175.11 3hpg h THR 181 N 0.54 1.30 -0.56 4.70 1.35 -0.84 -1.57 112.91 117.84 3hpg h THR 181 Ca 0.37 -1.49 -0.00 0.00 -0.55 0.00 0.00 66.41 64.74 3hpg h THR 181 Cb 0.47 1.67 -0.03 0.00 -1.73 0.00 0.00 68.15 68.53 3hpg h THR 181 CO -0.32 0.45 0.34 -0.07 -0.25 0.00 0.00 175.52 175.66 3hpg h LEU 182 N 0.19 0.66 -0.28 3.87 3.38 -0.43 -1.18 115.31 121.53 3hpg h LEU 182 Ca 0.02 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3hpg h LEU 182 Cb 0.80 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 3hpg h LEU 182 CO 0.06 0.51 0.05 0.40 0.09 0.00 0.00 178.44 179.55 3hpg h ILE 183 N 0.77 1.23 -0.07 1.22 2.04 -0.47 0.42 117.51 122.64 3hpg h ILE 183 Ca 0.20 -0.77 -0.17 0.00 1.00 0.00 0.00 64.86 65.13 3hpg h ILE 183 Cb -0.03 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3hpg h ILE 183 CO -0.04 0.25 -0.69 0.71 0.00 0.00 0.00 178.15 178.39 3hpg h THR 184 N 0.28 1.39 0.00 -0.27 1.35 -0.90 0.74 112.91 115.50 3hpg h THR 184 Ca 0.08 -2.12 -0.05 0.00 -0.55 0.00 0.00 66.41 63.78 3hpg h THR 184 Cb 0.32 2.09 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 3hpg h THR 184 CO 0.00 0.63 -0.89 -0.07 -0.25 0.00 0.00 175.52 174.94 3hpg h LEU 185 N 0.22 0.00 0.00 3.87 3.38 -1.28 -0.09 115.31 121.41 3hpg h LEU 185 Ca -0.02 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.61 3hpg h LEU 185 Cb 1.24 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.92 3hpg h LEU 185 CO 0.11 0.19 -2.28 0.59 0.09 0.00 0.00 178.44 177.14 3hpg n ASN 186 N -2.85 1.81 -0.04 -0.43 3.02 0.14 -4.62 115.26 112.29 3hpg n ASN 186 Ca -0.01 -0.09 -0.07 0.00 -0.03 0.00 0.00 54.58 54.38 3hpg n ASN 186 Cb 0.63 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.75 3hpg n ASN 186 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3hpg n ILE 187 N -3.03 0.41 0.09 2.41 5.41 -0.40 -1.92 119.36 122.32 3hpg n ILE 187 Ca -0.37 -0.12 -0.08 0.00 1.00 0.00 0.00 62.75 63.17 3hpg n ILE 187 Cb 0.97 -1.26 -0.00 0.00 -0.71 0.00 0.00 39.64 38.64 3hpg n ILE 187 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 3hpg h LYS 188 N -0.16 0.17 -6.56 0.38 1.79 -0.95 -3.44 116.57 107.80 3hpg h LYS 188 Ca -0.18 -0.19 -0.56 0.00 -2.18 0.00 0.00 60.65 57.54 3hpg h LYS 188 Cb 1.20 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 31.84 3hpg h LYS 188 CO -0.08 0.93 0.93 0.50 -1.08 0.00 0.00 179.45 180.66 3hpg s ARG 189 N -3.21 3.80 0.10 3.15 3.52 -0.05 -5.03 118.95 121.24 3hpg s ARG 189 Ca -0.03 0.81 0.10 0.00 -0.13 0.00 0.00 55.73 56.48 3hpg s ARG 189 Cb 0.10 -3.88 -0.04 0.00 -1.56 0.00 0.00 34.95 29.58 3hpg s ARG 189 CO 0.82 -1.27 -0.26 0.15 -0.81 0.00 0.00 175.30 173.94 3hpg s LYS 190 N 4.31 1.46 0.00 5.12 1.02 -1.26 -4.16 119.74 126.23 3hpg s LYS 190 Ca 0.50 -1.24 0.00 0.00 0.02 0.00 0.00 55.97 55.26 3hpg s LYS 190 Cb -0.10 -1.82 0.00 0.00 -0.52 0.00 0.00 37.83 35.39 3hpg s LYS 190 CO 0.27 0.44 0.00 0.41 -0.92 0.00 0.00 175.35 175.56 3hpg n GLY 191 N 1.22 3.82 7.00 -3.33 0.00 -0.81 -4.93 105.19 108.15 3hpg n GLY 191 Ca -0.18 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.48 3hpg n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hpg n GLY 192 N 0.00 3.06 1.39 -0.02 0.00 -1.26 -0.89 105.19 107.47 3hpg n GLY 192 Ca 0.00 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.26 3hpg n GLY 192 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hpg n LEU 193 N 0.00 4.05 0.00 0.99 4.77 -1.26 -4.80 117.00 120.75 3hpg n LEU 193 Ca 0.00 -2.03 0.00 0.00 -0.03 0.00 0.00 56.01 53.95 3hpg n LEU 193 Cb 0.00 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 3hpg n LEU 193 CO 0.00 0.92 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 3hpg n GLY 194 N 1.53 1.82 3.78 -0.72 0.00 -0.07 -5.14 105.19 106.39 3hpg n GLY 194 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 3hpg n GLY 194 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hpg s THR 195 N -1.82 4.87 0.45 2.61 -4.23 -0.78 -4.78 115.64 111.96 3hpg s THR 195 Ca 0.00 -0.09 0.05 0.00 -1.18 0.00 0.00 61.69 60.47 3hpg s THR 195 Cb 0.00 -3.11 0.01 0.00 1.34 0.00 0.00 72.50 70.74 3hpg s THR 195 CO 0.00 0.57 0.62 -0.94 -0.54 0.00 0.00 174.62 174.33 3hpg s SER 196 N -1.10 5.61 0.43 3.99 1.04 -1.26 -1.93 113.70 120.49 3hpg s SER 196 Ca 0.16 -0.22 0.10 0.00 0.48 0.00 0.00 55.95 56.46 3hpg s SER 196 Cb -0.12 -0.86 0.95 0.00 0.10 0.00 0.00 66.02 66.09 3hpg s SER 196 CO 0.05 -0.81 2.06 -0.65 0.98 0.00 0.00 173.24 174.86 3hpg h PRO 197 N 0.50 0.44 -0.26 4.02 0.11 -1.71 -0.36 132.00 134.74 3hpg h PRO 197 Ca -0.42 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.54 3hpg h PRO 197 Cb 1.28 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3hpg h PRO 197 CO 0.49 0.29 -0.38 1.98 -0.21 0.00 0.00 178.00 180.17 3hpg h MET 198 N 0.45 0.59 -0.29 1.05 1.85 -1.71 -1.19 114.93 115.68 3hpg h MET 198 Ca 0.16 -0.29 0.06 0.00 -0.61 0.00 0.00 59.70 59.02 3hpg h MET 198 Cb 0.06 -0.00 -0.06 0.00 0.43 0.00 0.00 31.60 32.03 3hpg h MET 198 CO -0.04 0.87 -0.13 -0.44 -0.40 0.00 0.00 176.91 176.78 3hpg h ASP 199 N 0.49 -0.44 -0.29 1.39 3.32 -1.35 -0.78 116.42 118.77 3hpg h ASP 199 Ca 0.05 0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 3hpg h ASP 199 Cb 0.88 0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 3hpg h ASP 199 CO 0.08 -0.16 0.12 0.40 -1.72 0.00 0.00 179.24 177.95 3hpg h ILE 200 N -0.08 1.17 0.32 0.35 1.08 -1.23 -0.15 117.51 118.97 3hpg h ILE 200 Ca 0.15 -0.52 -0.01 0.00 -0.39 0.00 0.00 64.86 64.09 3hpg h ILE 200 Cb 0.31 0.98 -0.01 0.00 -3.07 0.00 0.00 36.82 35.03 3hpg h ILE 200 CO -0.35 0.18 -0.24 0.15 -0.69 0.00 0.00 178.15 177.20 3hpg h PHE 201 N 0.32 -0.64 -0.53 1.37 3.57 -0.92 -0.73 116.94 119.38 3hpg h PHE 201 Ca 0.10 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.65 3hpg h PHE 201 Cb 0.17 0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.10 3hpg h PHE 201 CO -0.01 -0.36 0.24 0.82 -2.23 0.00 0.00 178.31 176.77 3hpg h ILE 202 N -0.56 0.90 -0.36 1.41 2.04 -1.09 -1.97 117.51 117.86 3hpg h ILE 202 Ca -0.02 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.72 3hpg h ILE 202 Cb 0.49 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 3hpg h ILE 202 CO -0.00 0.08 0.12 0.15 0.00 0.00 0.00 178.15 178.50 3hpg h PHE 203 N 0.46 0.22 -1.00 1.37 3.57 -0.76 -1.14 116.94 119.66 3hpg h PHE 203 Ca 0.24 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.80 3hpg h PHE 203 Cb 0.21 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.84 3hpg h PHE 203 CO -0.12 0.09 0.65 -0.91 -2.23 0.00 0.00 178.31 175.79 3hpg h ASN 204 N 0.27 1.08 -0.33 0.41 2.35 -0.85 -1.50 115.58 117.02 3hpg h ASN 204 Ca 0.17 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.79 3hpg h ASN 204 Cb 0.15 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 3hpg h ASN 204 CO -0.17 0.74 -0.20 0.11 -1.65 0.00 0.00 177.43 176.26 3hpg h LYS 205 N 1.25 0.81 -0.14 0.81 1.79 -0.78 -2.28 116.57 118.03 3hpg h LYS 205 Ca 0.40 -0.32 -0.08 0.00 -2.18 0.00 0.00 60.65 58.47 3hpg h LYS 205 Cb 0.01 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.62 3hpg h LYS 205 CO -0.13 0.94 -0.23 1.49 -1.08 0.00 0.00 179.45 180.44 3hpg h GLU 206 N 0.71 0.40 -0.43 3.15 4.57 -0.83 -2.89 114.58 119.26 3hpg h GLU 206 Ca 0.10 -0.24 -0.00 0.00 -1.18 0.00 0.00 59.36 58.04 3hpg h GLU 206 Cb 0.71 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.31 3hpg h GLU 206 CO 0.05 0.83 0.26 1.96 -1.18 0.00 0.00 179.01 180.94 3hpg h GLN 207 N -0.00 0.58 -0.59 1.92 7.50 -1.26 -1.34 115.11 121.92 3hpg h GLN 207 Ca 0.01 -0.04 0.01 0.00 0.50 0.00 0.00 58.65 59.12 3hpg h GLN 207 Cb 0.81 -0.13 -0.03 0.00 0.05 0.00 0.00 27.48 28.18 3hpg h GLN 207 CO 0.05 0.41 0.39 1.96 -1.50 0.00 0.00 178.83 180.14 3hpg h GLN 208 N 0.59 0.78 -0.22 1.46 4.20 -1.33 -1.25 115.11 119.34 3hpg h GLN 208 Ca 0.16 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 3hpg h GLN 208 Cb -0.02 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 3hpg h GLN 208 CO -0.03 0.51 0.07 -0.09 -0.67 0.00 0.00 178.83 178.62 3hpg h ARG 209 N 0.80 0.34 -0.52 1.46 2.43 -1.07 -2.42 114.38 115.40 3hpg h ARG 209 Ca 0.22 -0.08 0.10 0.00 -0.81 0.00 0.00 59.98 59.42 3hpg h ARG 209 Cb -0.09 -0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 29.31 3hpg h ARG 209 CO -0.05 0.44 -0.13 0.82 -1.51 0.00 0.00 179.97 179.53 3hpg h ILE 210 N 0.18 0.47 -0.15 1.20 2.04 -1.23 -2.12 117.51 117.90 3hpg h ILE 210 Ca 0.07 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.77 3hpg h ILE 210 Cb 0.24 0.47 -0.06 0.00 -0.74 0.00 0.00 36.82 36.73 3hpg h ILE 210 CO -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 178.15 178.08 3hpg n GLN 211 N -5.37 1.61 0.00 2.37 6.02 -0.48 -5.11 117.38 116.42 3hpg n GLN 211 Ca 0.05 -0.78 0.00 0.00 -0.01 0.00 0.00 57.00 56.26 3hpg n GLN 211 Cb 0.28 -1.56 0.00 0.00 1.02 0.00 0.00 30.24 29.97 3hpg n GLN 211 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05