#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 1.24 0.00 2.41 2.04 -1.97 -1.64 117.51 119.58 3hpg h ILE 5 Ca 0.00 -0.50 -0.10 0.00 1.00 0.00 0.00 64.86 65.26 3hpg h ILE 5 Cb 0.00 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.06 3hpg h ILE 5 CO 0.00 0.25 -0.49 -0.65 0.00 0.00 0.00 178.15 177.26 3hpg h PRO 6 N 1.20 0.00 0.19 2.37 0.11 -2.02 -1.93 132.00 131.92 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 -0.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.04 3hpg h PRO 6 CO -0.06 0.49 -0.09 1.25 -0.21 0.00 0.00 178.00 179.38 3hpg h LEU 7 N 0.00 -0.22 -0.75 2.35 6.46 -1.93 -2.65 115.31 118.57 3hpg h LEU 7 Ca -0.00 -0.26 0.15 0.00 -0.12 0.00 0.00 57.88 57.65 3hpg h LEU 7 Cb 1.01 0.06 -0.10 0.00 -0.73 0.00 0.00 40.66 40.89 3hpg h LEU 7 CO 0.06 0.17 0.24 0.00 -0.62 0.00 0.00 178.44 178.30 3hpg h ALA 8 N 0.05 1.02 -0.37 1.25 0.00 -1.18 -0.22 119.26 119.80 3hpg h ALA 8 Ca -0.03 0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3hpg h ALA 8 Cb 0.47 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3hpg h ALA 8 CO 0.04 -0.29 -0.06 1.49 0.00 0.00 0.00 179.25 180.43 3hpg h GLU 9 N 0.35 0.62 -0.09 0.00 4.81 -1.39 0.24 114.58 119.12 3hpg h GLU 9 Ca 0.42 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 3hpg h GLU 9 Cb 0.69 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.00 3hpg h GLU 9 CO -0.46 0.69 -0.09 1.49 -0.73 0.00 0.00 179.01 179.91 3hpg h GLU 10 N 0.58 0.23 0.00 1.92 4.81 -0.83 -2.51 114.58 118.79 3hpg h GLU 10 Ca 0.11 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 3hpg h GLU 10 Cb 0.46 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 3hpg h GLU 10 CO 0.02 0.65 -0.38 1.49 -0.73 0.00 0.00 179.01 180.07 3hpg h GLU 11 N -0.19 0.00 -0.19 1.92 4.57 -0.97 -2.59 114.58 117.13 3hpg h GLU 11 Ca 0.01 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 3hpg h GLU 11 Cb 0.61 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 3hpg h GLU 11 CO 0.02 0.38 -0.00 1.25 -1.18 0.00 0.00 179.01 179.48 3hpg h HIS 12 N 0.00 0.37 0.00 0.92 2.76 -0.46 -2.82 115.15 115.92 3hpg h HIS 12 Ca -0.00 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.10 3hpg h HIS 12 Cb 0.86 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.72 3hpg h HIS 12 CO 0.00 0.55 0.26 -0.91 -1.30 0.00 0.00 177.93 176.52 3hpg h ASN 13 N 0.10 0.00 0.08 3.26 2.35 -1.03 0.30 115.58 120.63 3hpg h ASN 13 Ca 0.05 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.62 3hpg h ASN 13 Cb 0.40 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 3hpg h ASN 13 CO 0.01 0.00 -0.93 0.11 -1.65 0.00 0.00 177.43 174.97 3hpg h LYS 14 N 0.00 0.17 0.00 0.81 1.57 -1.47 -3.43 116.57 114.21 3hpg h LYS 14 Ca 0.00 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 3hpg h LYS 14 Cb 0.51 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 3hpg h LYS 14 CO 0.00 1.14 -1.08 0.91 -0.57 0.00 0.00 179.45 179.84 3hpg n TRP 15 N -4.20 0.00 -2.98 -1.35 7.02 -0.51 -5.07 117.44 110.34 3hpg n TRP 15 Ca -0.20 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.15 3hpg n TRP 15 Cb 0.75 -0.05 0.06 0.00 -2.42 0.00 0.00 31.31 29.66 3hpg n TRP 15 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 3hpg n HIS 16 N -1.74 -1.89 -1.85 -5.99 8.25 0.94 -5.03 115.22 107.92 3hpg n HIS 16 Ca -0.01 0.71 -0.30 0.00 -0.26 0.00 0.00 57.72 57.86 3hpg n HIS 16 Cb 0.23 -4.04 0.07 0.00 1.12 0.00 0.00 29.99 27.37 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 -4.45 2.49 0.98 -0.41 1.11 -1.26 -5.05 119.66 113.07 3hpg s GLN 17 Ca 0.24 0.37 -0.16 0.00 0.01 0.00 0.00 55.36 55.82 3hpg s GLN 17 Cb -0.03 -1.99 -0.09 0.00 -1.01 0.00 0.00 33.01 29.89 3hpg s GLN 17 CO 0.59 -1.28 -0.43 -0.25 0.01 0.00 0.00 175.29 173.92 3hpg n ASP 18 N -3.16 -4.82 -0.10 5.90 8.00 -1.26 -4.80 116.55 116.31 3hpg n ASP 18 Ca 0.07 0.23 -0.03 0.00 0.71 0.00 0.00 54.79 55.77 3hpg n ASP 18 Cb 0.58 -0.90 0.19 0.00 -0.02 0.00 0.00 41.12 40.98 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 -1.17 1.18 -0.28 2.24 0.00 -1.96 -2.50 119.26 116.78 3hpg h ALA 19 Ca -0.44 -0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.07 3hpg h ALA 19 Cb 1.30 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3hpg h ALA 19 CO 0.27 0.54 -0.48 0.28 0.00 0.00 0.00 179.25 179.85 3hpg h VAL 20 N 0.72 1.29 -0.31 0.00 2.07 -1.92 -1.86 116.25 116.23 3hpg h VAL 20 Ca 0.15 -1.68 -0.03 0.00 0.82 0.00 0.00 66.70 65.96 3hpg h VAL 20 Cb 0.38 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 3hpg h VAL 20 CO 0.01 0.54 0.07 0.28 0.02 0.00 0.00 177.57 178.49 3hpg h SER 21 N 0.60 0.48 -1.00 0.57 0.02 -1.90 -0.99 113.55 111.33 3hpg h SER 21 Ca 0.03 -0.24 0.08 0.00 -0.84 0.00 0.00 61.79 60.82 3hpg h SER 21 Cb 1.06 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 63.40 3hpg h SER 21 CO 0.10 0.60 0.64 -0.07 -1.14 0.00 0.00 176.83 176.96 3hpg h LEU 22 N 0.34 1.00 -0.06 5.07 3.38 -1.35 -0.73 115.31 122.96 3hpg h LEU 22 Ca 0.10 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3hpg h LEU 22 Cb 0.31 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3hpg h LEU 22 CO 0.00 0.60 0.01 -0.74 0.09 0.00 0.00 178.44 178.40 3hpg h HIS 23 N 1.11 0.11 0.00 1.13 2.76 -1.15 -2.56 115.15 116.55 3hpg h HIS 23 Ca 0.45 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.60 3hpg h HIS 23 Cb 0.27 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.20 3hpg h HIS 23 CO -0.00 0.35 0.00 -0.07 -1.30 0.00 0.00 177.93 176.90 3hpg h LEU 24 N -0.16 0.00 0.00 0.26 3.38 -0.65 -1.56 115.31 116.58 3hpg h LEU 24 Ca 0.02 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.60 3hpg h LEU 24 Cb 0.30 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 3hpg h LEU 24 CO 0.00 0.00 -2.47 1.21 0.09 0.00 0.00 178.44 177.28 3hpg n GLU 25 N -2.74 0.65 -0.16 1.13 2.13 -0.33 -4.50 120.64 116.82 3hpg n GLU 25 Ca 0.02 0.15 0.08 0.00 0.66 0.00 0.00 57.16 58.07 3hpg n GLU 25 Cb 0.35 -1.52 0.17 0.00 0.27 0.00 0.00 31.44 30.70 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 -3.25 0.43 -2.53 4.31 3.72 -0.97 -4.98 117.46 114.19 3hpg n PHE 26 Ca -0.45 -0.32 -0.14 0.00 -0.05 0.00 0.00 57.45 56.49 3hpg n PHE 26 Cb 1.00 -0.01 -0.00 0.00 -0.94 0.00 0.00 39.48 39.52 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 0.97 -0.50 3.83 1.37 0.00 -0.59 -4.82 105.19 105.46 3hpg n GLY 27 Ca 0.14 0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.66 4.48 0.14 -0.61 -4.36 -1.24 -4.99 121.20 111.95 3hpg s ILE 28 Ca 0.04 1.32 -0.35 0.00 -0.26 0.00 0.00 60.65 61.40 3hpg s ILE 28 Cb -0.02 -3.67 -0.15 0.00 1.25 0.00 0.00 42.46 39.88 3hpg s ILE 28 CO 0.05 -0.51 1.51 -2.65 0.24 0.00 0.00 174.94 173.58 3hpg n PRO 29 N -1.14 1.87 0.11 0.37 -0.02 -1.26 -4.58 135.00 130.34 3hpg n PRO 29 Ca 0.07 0.67 0.08 0.00 -2.02 0.00 0.00 63.50 62.30 3hpg n PRO 29 Cb 0.54 -2.41 0.41 0.00 -0.02 0.00 0.00 33.50 32.03 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 3.19 0.10 0.10 -0.52 1.85 -1.26 0.62 116.66 120.74 3hpg n ARG 30 Ca 0.17 0.57 -0.03 0.00 -1.00 0.00 0.00 57.85 57.56 3hpg n ARG 30 Cb 0.26 -1.81 -0.03 0.00 -1.05 0.00 0.00 32.46 29.83 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 1.40 -0.06 8.89 1.35 -1.96 -1.82 112.91 120.71 3hpg h THR 31 Ca 0.00 -2.86 -0.20 0.00 -0.55 0.00 0.00 66.41 62.80 3hpg h THR 31 Cb 0.04 2.62 -0.00 0.00 -1.73 0.00 0.00 68.15 69.08 3hpg h THR 31 CO 0.00 0.77 -0.81 0.00 -0.25 0.00 0.00 175.52 175.23 3hpg h ALA 32 N 1.21 0.48 -0.17 6.62 0.00 -0.16 -2.74 119.26 124.51 3hpg h ALA 32 Ca -0.01 -0.64 -0.12 0.00 0.00 0.00 0.00 54.91 54.14 3hpg h ALA 32 Cb 1.55 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3hpg h ALA 32 CO 0.10 0.77 -0.35 0.00 0.00 0.00 0.00 179.25 179.78 3hpg h ALA 33 N 0.83 0.27 0.00 0.00 0.00 -1.41 -2.46 119.26 116.48 3hpg h ALA 33 Ca -0.05 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3hpg h ALA 33 Cb 1.41 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 3hpg h ALA 33 CO 0.14 0.33 -0.00 0.93 0.00 0.00 0.00 179.25 180.65 3hpg h GLU 34 N 0.18 0.00 0.05 0.00 5.08 -1.30 -2.57 114.58 116.02 3hpg h GLU 34 Ca 0.01 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 3hpg h GLU 34 Cb 0.94 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.21 3hpg h GLU 34 CO 0.08 0.00 -0.46 -0.44 -1.00 0.00 0.00 179.01 177.19 3hpg h ASP 35 N 0.00 0.31 -0.95 1.42 3.32 -1.16 -2.43 116.42 116.93 3hpg h ASP 35 Ca -0.00 -0.89 0.17 0.00 0.02 0.00 0.00 57.03 56.33 3hpg h ASP 35 Cb 0.08 -0.10 -0.10 0.00 0.22 0.00 0.00 39.33 39.43 3hpg h ASP 35 CO 0.00 1.17 0.55 0.40 -1.72 0.00 0.00 179.24 179.63 3hpg h ILE 36 N -0.50 0.72 -0.14 0.35 2.04 -1.04 0.85 117.51 119.78 3hpg h ILE 36 Ca -0.07 -0.25 -0.21 0.00 1.00 0.00 0.00 64.86 65.33 3hpg h ILE 36 Cb 1.28 -0.06 0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3hpg h ILE 36 CO 0.09 0.13 -0.75 0.58 0.00 0.00 0.00 178.15 178.20 3hpg h VAL 37 N 0.72 1.30 0.00 1.67 2.07 -1.61 -2.98 116.25 117.43 3hpg h VAL 37 Ca 0.53 -2.00 -0.08 0.00 0.82 0.00 0.00 66.70 65.97 3hpg h VAL 37 Cb 0.79 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 3hpg h VAL 37 CO -0.37 0.63 -0.40 1.56 0.02 0.00 0.00 177.57 179.01 3hpg h GLN 38 N 0.48 0.00 -0.23 1.57 1.08 -0.81 -3.04 115.11 114.16 3hpg h GLN 38 Ca -0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3hpg h GLN 38 Cb 1.36 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.79 3hpg h GLN 38 CO 0.15 0.40 0.00 1.04 -0.95 0.00 0.00 178.83 179.46 3hpg n GLN 39 N -3.64 2.00 -3.19 1.46 6.02 0.21 -4.83 117.38 115.40 3hpg n GLN 39 Ca -0.01 -1.50 -0.41 0.00 -0.01 0.00 0.00 57.00 55.07 3hpg n GLN 39 Cb 0.50 -1.43 -0.07 0.00 1.02 0.00 0.00 30.24 30.25 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 8.34 0.33 -0.48 0.00 3.32 -1.88 -1.88 116.42 124.16 3hpg h ASP 41 Ca -0.28 -0.10 0.10 0.00 0.02 0.00 0.00 57.03 56.77 3hpg h ASP 41 Cb 1.12 -0.08 -0.10 0.00 0.22 0.00 0.00 39.33 40.49 3hpg h ASP 41 CO 0.78 0.34 -0.19 0.58 -1.72 0.00 0.00 179.24 179.03 3hpg h VAL 42 N 0.29 0.40 -0.18 -1.35 2.07 -1.96 -0.12 116.25 115.40 3hpg h VAL 42 Ca 0.09 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.50 3hpg h VAL 42 Cb 0.09 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3hpg h VAL 42 CO -0.01 0.00 -0.37 0.00 0.02 0.00 0.00 177.57 177.21 3hpg h GLN 44 N 0.33 0.22 0.00 0.00 1.08 -0.43 -2.76 115.11 113.55 3hpg h GLN 44 Ca 0.04 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 3hpg h GLN 44 Cb 0.81 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.23 3hpg h GLN 44 CO 0.06 0.61 0.00 0.39 -0.95 0.00 0.00 178.83 178.94 3hpg n GLU 45 N -4.69 0.17 -3.47 1.46 1.02 -0.17 -4.08 120.64 110.87 3hpg n GLU 45 Ca -0.07 0.15 -0.29 0.00 -0.02 0.00 0.00 57.16 56.94 3hpg n GLU 45 Cb 0.29 -1.50 -0.12 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 -2.43 3.05 -0.16 1.62 0.01 -1.04 -5.07 114.94 110.93 3hpg s ASN 46 Ca 0.10 -2.06 -0.12 0.00 -0.71 0.00 0.00 52.86 50.06 3hpg s ASN 46 Cb 0.06 -0.39 -0.07 0.00 0.41 0.00 0.00 41.25 41.26 3hpg s ASN 46 CO 0.13 -0.33 -0.27 0.29 -1.51 0.00 0.00 177.10 175.41 3hpg n LYS 47 N 4.21 0.42 0.00 -0.60 4.01 -1.25 -4.71 118.16 120.25 3hpg n LYS 47 Ca 0.09 0.18 0.00 0.00 -0.51 0.00 0.00 58.31 58.07 3hpg n LYS 47 Cb 0.38 -1.23 0.00 0.00 -0.51 0.00 0.00 35.03 33.67 3hpg n LYS 47 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 3hpg n MET 48 N -4.11 0.00 0.00 1.97 2.81 -1.26 -5.13 117.12 111.40 3hpg n MET 48 Ca -0.24 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.65 3hpg n MET 48 Cb 0.57 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.08 3hpg n MET 48 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 3hpg n ILE 60 N 0.53 0.00 -4.23 2.02 2.08 -1.26 -5.29 119.36 113.21 3hpg n ILE 60 Ca 0.00 0.00 -0.36 0.00 0.56 0.00 0.00 62.75 62.95 3hpg n ILE 60 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 39.64 38.86 3hpg n ILE 60 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3hpg n ASP 61 N 0.00 -2.62 -4.30 4.38 8.00 -1.26 -4.73 116.55 116.01 3hpg n ASP 61 Ca 0.00 -1.05 -0.34 0.00 0.71 0.00 0.00 54.79 54.11 3hpg n ASP 61 Cb 0.00 -2.62 -0.14 0.00 -0.02 0.00 0.00 41.12 38.34 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 -3.41 2.88 0.20 1.24 2.46 -1.26 -0.69 115.29 116.71 3hpg s HIS 62 Ca 0.63 -0.96 0.10 0.00 0.47 0.00 0.00 55.06 55.30 3hpg s HIS 62 Cb -0.35 -1.99 -0.04 0.00 -0.13 0.00 0.00 32.58 30.06 3hpg s HIS 62 CO 0.94 -0.48 -0.13 -1.58 -2.47 0.00 0.00 174.74 171.02 3hpg s TRP 63 N 1.09 2.53 -0.08 3.88 0.52 -0.75 -1.08 118.94 125.05 3hpg s TRP 63 Ca 0.00 -0.26 0.02 0.00 0.02 0.00 0.00 56.10 55.88 3hpg s TRP 63 Cb -0.15 -1.22 -0.02 0.00 -1.15 0.00 0.00 33.47 30.94 3hpg s TRP 63 CO -0.02 0.54 -0.13 -1.14 0.02 0.00 0.00 176.95 176.21 3hpg s GLN 64 N -2.94 2.88 -0.08 4.98 0.74 -0.19 -0.65 119.66 124.39 3hpg s GLN 64 Ca 0.25 -0.69 0.00 0.00 0.05 0.00 0.00 55.36 54.98 3hpg s GLN 64 Cb -0.08 -2.49 -0.03 0.00 1.10 0.00 0.00 33.01 31.51 3hpg s GLN 64 CO 0.14 0.46 -0.07 0.08 -0.55 0.00 0.00 175.29 175.35 3hpg s VAL 65 N -0.29 3.67 0.05 1.34 1.01 -0.57 -0.95 120.40 124.65 3hpg s VAL 65 Ca 0.02 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 3hpg s VAL 65 Cb -0.13 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.75 3hpg s VAL 65 CO 0.03 0.58 0.23 -0.62 0.00 0.00 0.00 175.10 175.33 3hpg s ASP 66 N -0.63 -0.02 -0.04 3.32 -1.08 -0.77 -4.58 116.67 112.87 3hpg s ASP 66 Ca 0.10 -0.33 -0.13 0.00 -0.52 0.00 0.00 52.55 51.66 3hpg s ASP 66 Cb -0.12 0.32 -0.05 0.00 -1.46 0.00 0.00 42.92 41.61 3hpg s ASP 66 CO 0.02 -0.60 0.35 -0.31 0.52 0.00 0.00 175.17 175.15 3hpg s TYR 67 N -2.71 3.68 0.03 -5.34 2.02 -1.26 -0.90 117.35 112.87 3hpg s TYR 67 Ca -0.04 0.87 0.04 0.00 -0.37 0.00 0.00 57.07 57.57 3hpg s TYR 67 Cb -0.00 -2.24 -0.02 0.00 -0.40 0.00 0.00 41.96 39.30 3hpg s TYR 67 CO -0.05 0.61 -0.12 -0.08 -1.57 0.00 0.00 175.55 174.35 3hpg s THR 68 N -0.89 0.90 -0.10 -0.71 -1.32 0.02 -4.95 115.64 108.59 3hpg s THR 68 Ca 0.22 -0.85 -0.03 0.00 -1.21 0.00 0.00 61.69 59.81 3hpg s THR 68 Cb -0.15 -0.82 -0.03 0.00 -1.51 0.00 0.00 72.50 69.98 3hpg s THR 68 CO 0.11 -0.02 0.03 -1.00 -2.21 0.00 0.00 174.62 171.53 3hpg s HIS 69 N -0.78 3.25 -0.35 9.09 0.09 -1.26 -0.95 115.29 124.38 3hpg s HIS 69 Ca -0.00 0.23 -0.01 0.00 -0.00 0.00 0.00 55.06 55.28 3hpg s HIS 69 Cb -0.07 -1.85 0.13 0.00 -0.00 0.00 0.00 32.58 30.79 3hpg s HIS 69 CO 0.01 0.48 0.19 -0.47 -0.00 0.00 0.00 174.74 174.95 3hpg s TYR 70 N -0.75 0.82 -0.68 1.40 5.04 -0.48 -4.99 117.35 117.71 3hpg s TYR 70 Ca 0.12 -1.57 -0.04 0.00 -2.44 0.00 0.00 57.07 53.15 3hpg s TYR 70 Cb -0.12 -1.05 -0.04 0.00 0.35 0.00 0.00 41.96 41.11 3hpg s TYR 70 CO 0.02 -0.83 0.59 -1.91 -1.34 0.00 0.00 175.55 172.09 3hpg n GLU 71 N 4.26 -1.65 -3.72 4.97 2.13 -1.26 -2.89 120.64 122.48 3hpg n GLU 71 Ca 0.08 0.55 -0.23 0.00 0.66 0.00 0.00 57.16 58.22 3hpg n GLU 71 Cb 0.38 -4.29 0.03 0.00 0.27 0.00 0.00 31.44 27.82 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 -2.58 -1.97 -3.65 4.31 9.92 -1.26 -4.98 116.55 116.33 3hpg n ASP 72 Ca -0.06 -0.88 -0.05 0.00 -0.53 0.00 0.00 54.79 53.27 3hpg n ASP 72 Cb 0.58 -3.82 -0.06 0.00 -0.64 0.00 0.00 41.12 37.17 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 -5.99 0.55 -0.11 -1.24 1.02 -1.14 -5.17 119.74 107.65 3hpg s LYS 73 Ca 0.10 1.26 -0.09 0.00 0.02 0.00 0.00 55.97 57.26 3hpg s LYS 73 Cb -0.03 0.49 -0.04 0.00 -0.52 0.00 0.00 37.83 37.72 3hpg s LYS 73 CO 0.83 -0.19 0.20 0.42 -0.92 0.00 0.00 175.35 175.69 3hpg s ILE 74 N 2.35 5.39 -0.11 2.17 1.01 -1.26 -1.38 121.20 129.37 3hpg s ILE 74 Ca -0.07 0.35 -0.00 0.00 0.00 0.00 0.00 60.65 60.93 3hpg s ILE 74 Cb -0.10 -3.48 0.03 0.00 0.01 0.00 0.00 42.46 38.91 3hpg s ILE 74 CO -0.18 0.57 -0.07 -0.63 0.00 0.00 0.00 174.94 174.63 3hpg s ILE 75 N -0.74 1.01 -0.29 2.92 1.01 -0.12 -1.32 121.20 123.67 3hpg s ILE 75 Ca 0.16 -0.29 -0.24 0.00 0.00 0.00 0.00 60.65 60.28 3hpg s ILE 75 Cb -0.13 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 41.30 3hpg s ILE 75 CO 0.05 0.35 0.82 -0.22 0.00 0.00 0.00 174.94 175.94 3hpg s LEU 76 N 1.71 4.07 -0.33 2.97 2.96 -0.42 -0.80 118.68 128.84 3hpg s LEU 76 Ca 0.05 0.77 -0.01 0.00 -0.22 0.00 0.00 54.13 54.72 3hpg s LEU 76 Cb -0.13 -3.13 0.07 0.00 0.50 0.00 0.00 46.19 43.51 3hpg s LEU 76 CO -0.08 -0.61 0.06 -0.69 -1.32 0.00 0.00 176.35 173.70 3hpg s VAL 77 N 2.98 2.91 0.04 1.68 1.01 -0.08 -2.03 120.40 126.92 3hpg s VAL 77 Ca 0.34 -1.73 -0.18 0.00 0.00 0.00 0.00 61.98 60.41 3hpg s VAL 77 Cb -0.14 -2.84 -0.06 0.00 0.00 0.00 0.00 36.38 33.34 3hpg s VAL 77 CO 0.12 -0.34 0.52 0.26 0.00 0.00 0.00 175.10 175.66 3hpg s TRP 78 N 1.16 3.77 -0.08 5.22 0.52 0.25 -1.85 118.94 127.93 3hpg s TRP 78 Ca 0.01 1.18 -0.01 0.00 0.02 0.00 0.00 56.10 57.29 3hpg s TRP 78 Cb -0.21 -2.44 0.03 0.00 -1.15 0.00 0.00 33.47 29.70 3hpg s TRP 78 CO -0.03 0.58 -0.01 0.08 0.02 0.00 0.00 176.95 177.59 3hpg s VAL 79 N -1.00 0.49 -0.33 4.03 1.01 -0.13 -0.54 120.40 123.93 3hpg s VAL 79 Ca 0.27 0.04 -0.29 0.00 0.00 0.00 0.00 61.98 62.01 3hpg s VAL 79 Cb -0.18 -0.63 -0.00 0.00 0.00 0.00 0.00 36.38 35.57 3hpg s VAL 79 CO 0.17 0.27 1.41 -0.70 0.00 0.00 0.00 175.10 176.25 3hpg s GLU 80 N 1.93 3.74 0.01 2.72 -6.30 -0.24 -1.02 118.70 119.54 3hpg s GLU 80 Ca 0.05 1.20 0.14 0.00 -2.50 0.00 0.00 54.97 53.86 3hpg s GLU 80 Cb -0.12 -3.97 0.58 0.00 0.00 0.00 0.00 34.13 30.62 3hpg s GLU 80 CO -0.06 -1.35 1.44 0.25 0.02 0.00 0.00 175.26 175.56 3hpg n THR 81 N 6.62 1.08 -0.07 -1.70 -2.24 -0.25 -0.46 114.28 117.26 3hpg n THR 81 Ca 0.16 0.27 -0.02 0.00 -2.27 0.00 0.00 64.05 62.19 3hpg n THR 81 Cb 0.47 -1.05 -0.16 0.00 -2.10 0.00 0.00 70.33 67.49 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 -1.53 0.05 -0.04 3.42 2.85 -1.26 -4.60 115.26 114.16 3hpg n ASN 82 Ca 0.03 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.47 3hpg n ASN 82 Cb 0.16 1.35 -0.07 0.00 1.24 0.00 0.00 39.78 42.46 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 -2.57 2.88 0.00 1.20 3.41 -1.16 -5.00 113.62 112.38 3hpg n SER 83 Ca -0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 3hpg n SER 83 Cb 0.94 0.82 0.00 0.00 -0.26 0.00 0.00 64.21 65.71 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 2.40 0.75 3.70 5.00 0.00 0.39 -4.64 105.19 112.79 3hpg n GLY 84 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 3.68 -4.13 0.99 7.94 -1.25 -4.74 117.00 119.50 3hpg n LEU 85 Ca 0.00 1.14 -0.28 0.00 -1.11 0.00 0.00 56.01 55.76 3hpg n LEU 85 Cb 0.00 -1.51 -0.17 0.00 0.53 0.00 0.00 43.42 42.28 3hpg n LEU 85 CO 0.00 -0.17 -0.51 -0.51 -1.11 0.00 0.00 177.39 175.08 3hpg s ILE 86 N 0.07 1.56 -0.18 1.96 2.07 -1.26 -1.08 121.20 124.35 3hpg s ILE 86 Ca 0.67 -0.74 0.01 0.00 -1.41 0.00 0.00 60.65 59.18 3hpg s ILE 86 Cb -0.58 -1.37 0.03 0.00 0.13 0.00 0.00 42.46 40.68 3hpg s ILE 86 CO 0.48 0.45 -0.14 -0.47 -1.91 0.00 0.00 174.94 173.35 3hpg s TYR 87 N 0.38 2.41 0.01 3.50 5.04 0.30 -4.95 117.35 124.04 3hpg s TYR 87 Ca -0.13 -1.47 0.02 0.00 -2.44 0.00 0.00 57.07 53.05 3hpg s TYR 87 Cb -0.16 -1.69 -0.01 0.00 0.35 0.00 0.00 41.96 40.46 3hpg s TYR 87 CO 0.05 -0.73 -0.08 0.00 -1.34 0.00 0.00 175.55 173.46 3hpg s ALA 88 N 1.40 0.63 0.02 3.97 0.00 -1.26 -0.58 121.76 125.94 3hpg s ALA 88 Ca 0.02 -0.42 -0.02 0.00 0.00 0.00 0.00 51.96 51.54 3hpg s ALA 88 Cb -0.14 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.84 3hpg s ALA 88 CO -0.10 0.12 0.02 -2.00 0.00 0.00 0.00 175.76 173.80 3hpg s GLU 89 N -0.48 0.37 -0.24 0.00 2.12 -0.86 -4.91 118.70 114.70 3hpg s GLU 89 Ca 0.01 -0.57 -0.29 0.00 0.36 0.00 0.00 54.97 54.47 3hpg s GLU 89 Cb -0.04 0.14 0.00 0.00 0.26 0.00 0.00 34.13 34.49 3hpg s GLU 89 CO -0.00 -0.07 1.13 0.50 -0.54 0.00 0.00 175.26 176.28 3hpg s ARG 90 N -1.52 4.18 0.30 4.30 3.52 -1.26 -1.30 118.95 127.18 3hpg s ARG 90 Ca -0.15 1.37 0.00 0.00 -0.13 0.00 0.00 55.73 56.83 3hpg s ARG 90 Cb -0.09 -3.71 -0.04 0.00 -1.56 0.00 0.00 34.95 29.55 3hpg s ARG 90 CO -0.01 -0.75 0.49 0.08 -0.81 0.00 0.00 175.30 174.31 3hpg s VAL 91 N 3.48 5.14 0.01 7.11 1.01 -0.43 -4.95 120.40 131.77 3hpg s VAL 91 Ca 0.48 -0.48 -0.18 0.00 0.00 0.00 0.00 61.98 61.81 3hpg s VAL 91 Cb -0.16 -3.83 -0.32 0.00 0.00 0.00 0.00 36.38 32.07 3hpg s VAL 91 CO 0.12 -0.43 1.00 0.11 0.00 0.00 0.00 175.10 175.89 3hpg h LYS 92 N 1.14 0.48 -2.71 2.72 6.56 -1.96 -3.38 116.57 119.42 3hpg h LYS 92 Ca -0.50 -0.76 0.07 0.00 -1.06 0.00 0.00 60.65 58.41 3hpg h LYS 92 Cb 1.21 0.27 -0.10 0.00 -0.57 0.00 0.00 32.23 33.04 3hpg h LYS 92 CO 0.63 1.35 0.33 0.20 -2.06 0.00 0.00 179.45 179.90 3hpg s GLY 93 N -4.48 -0.37 0.00 3.86 0.00 -1.26 -4.88 107.32 100.19 3hpg s GLY 93 Ca -0.11 0.32 0.00 0.00 0.00 0.00 0.00 44.72 44.94 3hpg s GLY 93 CO 0.90 0.10 1.03 1.18 0.00 0.00 0.00 173.10 176.32 3hpg n GLU 94 N -0.39 0.98 -1.83 2.90 1.02 -1.26 -4.75 120.64 117.31 3hpg n GLU 94 Ca -0.10 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.71 3hpg n GLU 94 Cb 0.62 -1.01 0.04 0.00 -0.02 0.00 0.00 31.44 31.07 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 0.02 3.24 -0.55 2.62 -4.23 -1.26 -4.40 115.64 111.07 3hpg s THR 95 Ca 0.00 0.60 0.25 0.00 -1.18 0.00 0.00 61.69 61.36 3hpg s THR 95 Cb 0.00 -3.13 0.32 0.00 1.34 0.00 0.00 72.50 71.03 3hpg s THR 95 CO 0.00 -0.33 1.70 1.23 -0.54 0.00 0.00 174.62 176.67 3hpg h GLY 96 N 0.20 0.00 1.16 3.99 0.00 -1.90 -2.38 103.07 104.14 3hpg h GLY 96 Ca -0.47 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.56 3hpg h GLY 96 CO 0.54 0.00 -1.25 -1.61 0.00 0.00 0.00 176.54 174.23 3hpg h GLN 97 N 0.00 0.56 -0.09 4.80 4.15 -1.92 -1.74 115.11 120.88 3hpg h GLN 97 Ca 0.00 -0.82 -0.01 0.00 0.77 0.00 0.00 58.65 58.59 3hpg h GLN 97 Cb 0.86 0.28 -0.00 0.00 0.21 0.00 0.00 27.48 28.83 3hpg h GLN 97 CO 0.00 1.38 0.02 1.49 -1.93 0.00 0.00 178.83 179.79 3hpg h GLU 98 N 0.15 0.14 -0.51 1.69 4.81 -1.88 -3.00 114.58 115.98 3hpg h GLU 98 Ca -0.20 -0.03 0.09 0.00 -0.13 0.00 0.00 59.36 59.09 3hpg h GLU 98 Cb 1.94 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 31.23 3hpg h GLU 98 CO 0.24 0.31 0.10 0.35 -0.73 0.00 0.00 179.01 179.28 3hpg h PHE 99 N -0.06 0.16 -0.81 0.92 3.57 -1.46 0.05 116.94 119.31 3hpg h PHE 99 Ca 0.03 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.68 3hpg h PHE 99 Cb 0.23 0.01 -0.08 0.00 2.79 0.00 0.00 35.95 38.89 3hpg h PHE 99 CO 0.00 -0.01 0.43 0.00 -2.23 0.00 0.00 178.31 176.50 3hpg h ARG 100 N 0.24 0.65 -0.09 1.11 3.08 -1.26 0.51 114.38 118.60 3hpg h ARG 100 Ca 0.26 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.25 3hpg h ARG 100 Cb 0.35 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3hpg h ARG 100 CO -0.34 0.43 -0.03 0.28 -1.07 0.00 0.00 179.97 179.24 3hpg h VAL 101 N 0.67 1.30 -1.00 2.04 2.07 -1.15 -2.50 116.25 117.68 3hpg h VAL 101 Ca 0.42 -0.97 0.18 0.00 0.82 0.00 0.00 66.70 67.15 3hpg h VAL 101 Cb 0.51 1.75 -0.10 0.00 -1.52 0.00 0.00 31.29 31.93 3hpg h VAL 101 CO -0.31 0.27 0.62 1.56 0.02 0.00 0.00 177.57 179.73 3hpg h GLN 102 N -0.15 0.75 0.00 1.57 1.08 -0.31 -1.13 115.11 116.92 3hpg h GLN 102 Ca 0.02 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.12 3hpg h GLN 102 Cb 0.44 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 3hpg h GLN 102 CO 0.01 0.49 -0.28 1.79 -0.95 0.00 0.00 178.83 179.90 3hpg h THR 103 N 0.77 0.86 -0.11 -0.54 1.35 0.42 -1.81 112.91 113.85 3hpg h THR 103 Ca 0.56 -1.10 -0.02 0.00 -0.55 0.00 0.00 66.41 65.30 3hpg h THR 103 Cb 0.86 1.66 -0.00 0.00 -1.73 0.00 0.00 68.15 68.94 3hpg h THR 103 CO -0.34 0.27 0.00 0.24 -0.25 0.00 0.00 175.52 175.44 3hpg h MET 104 N 0.00 0.19 -0.31 4.72 2.86 -0.86 0.14 114.93 121.67 3hpg h MET 104 Ca -0.00 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 3hpg h MET 104 Cb 0.64 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 3hpg h MET 104 CO 0.04 0.44 0.13 0.87 1.06 0.00 0.00 176.91 179.45 3hpg h LYS 105 N -0.08 0.44 -0.06 1.72 1.57 -1.20 -1.62 116.57 117.34 3hpg h LYS 105 Ca 0.03 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 3hpg h LYS 105 Cb 0.35 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.58 3hpg h LYS 105 CO 0.01 0.36 -0.16 2.35 -0.57 0.00 0.00 179.45 181.44 3hpg h TRP 106 N 0.44 0.28 -0.07 -1.35 7.01 -1.22 -2.84 115.95 118.21 3hpg h TRP 106 Ca 0.11 -0.11 0.02 0.00 2.11 0.00 0.00 58.89 61.02 3hpg h TRP 106 Cb 0.09 -0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 27.09 3hpg h TRP 106 CO 0.00 0.76 0.06 -0.92 -2.79 0.00 0.00 178.44 175.55 3hpg h TYR 107 N -0.29 0.00 0.05 2.65 3.20 -0.57 -2.23 116.97 119.79 3hpg h TYR 107 Ca -0.00 0.00 -0.23 0.00 3.14 0.00 0.00 58.73 61.63 3hpg h TYR 107 Cb 0.76 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.03 3hpg h TYR 107 CO 0.12 0.00 -1.03 0.00 -1.64 0.00 0.00 178.16 175.61 3hpg h ALA 108 N 1.96 0.31 0.07 1.82 0.00 -1.22 -3.39 119.26 118.81 3hpg h ALA 108 Ca 0.03 -0.78 -0.10 0.00 0.00 0.00 0.00 54.91 54.06 3hpg h ALA 108 Cb 0.14 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.91 3hpg h ALA 108 CO -0.00 0.92 -0.44 0.52 0.00 0.00 0.00 179.25 180.24 3hpg h MET 109 N 0.13 0.15 -6.11 0.00 2.86 -1.16 -3.44 114.93 107.36 3hpg h MET 109 Ca -0.09 -0.26 -0.51 0.00 -2.06 0.00 0.00 59.70 56.78 3hpg h MET 109 Cb 1.71 0.10 -0.05 0.00 0.06 0.00 0.00 31.60 33.42 3hpg h MET 109 CO 0.17 1.13 -0.43 -0.06 1.06 0.00 0.00 176.91 178.78 3hpg s PHE 110 N -2.33 2.71 -0.62 -0.22 0.08 -1.05 -5.08 117.98 111.47 3hpg s PHE 110 Ca -0.16 -0.48 0.05 0.00 0.12 0.00 0.00 56.93 56.45 3hpg s PHE 110 Cb -0.01 -2.03 0.16 0.00 -0.57 0.00 0.00 43.02 40.58 3hpg s PHE 110 CO 0.76 0.03 0.43 0.00 -0.10 0.00 0.00 175.22 176.34 3hpg s ALA 111 N -2.48 3.28 0.58 5.36 0.00 -1.26 -4.43 121.76 122.82 3hpg s ALA 111 Ca 0.45 -3.49 -0.17 0.00 0.00 0.00 0.00 51.96 48.74 3hpg s ALA 111 Cb -0.02 -2.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 3hpg s ALA 111 CO 0.26 -2.07 1.09 -1.25 0.00 0.00 0.00 175.76 173.79 3hpg s PRO 112 N -0.99 3.26 -0.20 0.00 0.05 -1.26 -4.99 135.00 130.86 3hpg s PRO 112 Ca 0.25 1.39 0.01 0.00 0.05 0.00 0.00 61.00 62.70 3hpg s PRO 112 Cb -0.06 -2.01 -0.13 0.00 0.05 0.00 0.00 34.50 32.34 3hpg s PRO 112 CO -0.14 -0.88 -0.19 1.63 0.05 0.00 0.00 177.00 177.47 3hpg n LYS 113 N -1.76 0.50 -3.94 4.56 4.01 0.13 -4.88 118.16 116.78 3hpg n LYS 113 Ca 0.10 0.12 -0.09 0.00 -0.51 0.00 0.00 58.31 57.94 3hpg n LYS 113 Cb 0.52 -1.39 -0.09 0.00 -0.51 0.00 0.00 35.03 33.56 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 -6.03 0.22 -0.00 4.39 1.04 -1.03 -2.14 113.70 110.15 3hpg s SER 114 Ca -0.27 -0.65 -0.01 0.00 0.48 0.00 0.00 55.95 55.50 3hpg s SER 114 Cb 0.07 0.25 -0.00 0.00 0.10 0.00 0.00 66.02 66.44 3hpg s SER 114 CO 0.46 -0.58 0.02 -0.22 0.98 0.00 0.00 173.24 173.90 3hpg s LEU 115 N -2.46 1.95 0.04 2.42 2.96 0.04 -1.81 118.68 121.81 3hpg s LEU 115 Ca -0.00 -0.08 0.06 0.00 -0.22 0.00 0.00 54.13 53.90 3hpg s LEU 115 Cb 0.02 0.13 -0.03 0.00 0.50 0.00 0.00 46.19 46.81 3hpg s LEU 115 CO -0.07 -0.09 -0.15 -1.10 -1.32 0.00 0.00 176.35 173.62 3hpg s GLN 116 N -0.37 2.17 -0.09 1.98 -0.21 0.18 -1.02 119.66 122.29 3hpg s GLN 116 Ca -0.04 -0.94 -0.31 0.00 0.02 0.00 0.00 55.36 54.09 3hpg s GLN 116 Cb -0.03 -2.26 0.12 0.00 1.00 0.00 0.00 33.01 31.84 3hpg s GLN 116 CO -0.00 0.55 1.00 -1.54 -2.12 0.00 0.00 175.29 173.18 3hpg s SER 117 N -1.54 -0.30 1.13 5.90 1.04 -1.11 -1.52 113.70 117.31 3hpg s SER 117 Ca 0.16 0.08 -0.14 0.00 0.48 0.00 0.00 55.95 56.53 3hpg s SER 117 Cb -0.11 0.30 0.26 0.00 0.10 0.00 0.00 66.02 66.57 3hpg s SER 117 CO 0.07 -0.45 1.05 1.51 0.98 0.00 0.00 173.24 176.40 3hpg s ASP 118 N -2.09 1.39 0.00 7.02 3.84 -1.26 -1.08 116.67 124.48 3hpg s ASP 118 Ca 0.05 1.20 0.00 0.00 -0.00 0.00 0.00 52.55 53.80 3hpg s ASP 118 Cb -0.01 -1.86 0.00 0.00 -1.38 0.00 0.00 42.92 39.67 3hpg s ASP 118 CO -0.06 -3.90 0.63 0.59 -0.00 0.00 0.00 175.17 172.43 3hpg n ASN 119 N -4.69 1.60 -4.28 2.11 3.02 -1.26 -4.46 115.26 107.31 3hpg n ASN 119 Ca 0.05 -1.84 -0.35 0.00 -0.03 0.00 0.00 54.58 52.40 3hpg n ASN 119 Cb 0.57 -0.46 0.07 0.00 -0.61 0.00 0.00 39.78 39.34 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 0.22 -2.88 0.19 7.41 0.00 -1.26 -4.64 105.19 104.24 3hpg n GLY 120 Ca 0.00 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.88 -0.40 -0.82 1.61 0.11 -1.91 -1.63 132.00 128.08 3hpg h PRO 121 Ca -0.44 0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.81 3hpg h PRO 121 Cb 1.33 0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.47 3hpg h PRO 121 CO 0.34 -0.15 0.54 0.00 -0.21 0.00 0.00 178.00 178.51 3hpg h ALA 122 N 0.05 1.79 0.03 -0.75 0.00 -1.88 -0.95 119.26 117.54 3hpg h ALA 122 Ca -0.04 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 3hpg h ALA 122 Cb 0.42 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.07 3hpg h ALA 122 CO 0.07 0.02 -1.01 0.74 0.00 0.00 0.00 179.25 179.08 3hpg h PHE 123 N 0.72 0.63 0.00 0.00 0.04 -1.84 -3.35 116.94 113.14 3hpg h PHE 123 Ca 0.39 -0.36 -0.13 0.00 2.80 0.00 0.00 57.97 60.67 3hpg h PHE 123 Cb 0.54 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 3hpg h PHE 123 CO -0.00 1.20 -1.19 0.28 -0.60 0.00 0.00 178.31 177.99 3hpg h VAL 124 N 0.22 0.46 -1.05 -0.55 2.07 -0.97 -3.41 116.25 113.01 3hpg h VAL 124 Ca -0.10 -1.84 -0.41 0.00 0.82 0.00 0.00 66.70 65.17 3hpg h VAL 124 Cb 1.66 2.00 0.10 0.00 -1.52 0.00 0.00 31.29 33.53 3hpg h VAL 124 CO 0.17 0.26 -0.59 0.00 0.02 0.00 0.00 177.57 177.43 3hpg n ALA 125 N -2.33 -2.41 -0.06 1.67 0.00 -0.39 -4.64 120.51 112.35 3hpg n ALA 125 Ca -0.06 0.10 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 3hpg n ALA 125 Cb 0.77 -0.98 0.03 0.00 0.00 0.00 0.00 19.45 19.28 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 0.26 0.75 -0.61 0.00 4.81 -1.93 -1.52 114.58 116.34 3hpg h GLU 126 Ca -0.24 -0.40 -0.05 0.00 -0.13 0.00 0.00 59.36 58.54 3hpg h GLU 126 Cb 0.95 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.32 3hpg h GLU 126 CO 0.32 1.03 0.18 0.77 -0.73 0.00 0.00 179.01 180.57 3hpg h SER 127 N 0.61 0.89 -0.35 1.04 0.02 -1.97 -1.83 113.55 111.96 3hpg h SER 127 Ca 0.04 -0.21 -0.03 0.00 -0.84 0.00 0.00 61.79 60.75 3hpg h SER 127 Cb 0.98 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 3hpg h SER 127 CO 0.09 0.87 0.12 0.74 -1.14 0.00 0.00 176.83 177.51 3hpg h THR 128 N 0.87 1.20 -0.41 -2.27 2.02 -1.82 -1.56 112.91 110.95 3hpg h THR 128 Ca 0.19 -0.65 0.03 0.00 0.77 0.00 0.00 66.41 66.75 3hpg h THR 128 Cb 0.30 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 3hpg h THR 128 CO -0.00 0.23 0.27 -0.61 0.37 0.00 0.00 175.52 175.78 3hpg h GLN 129 N 0.42 0.44 0.02 6.66 4.15 -0.99 -1.65 115.11 124.15 3hpg h GLN 129 Ca 0.12 -0.03 -0.24 0.00 0.77 0.00 0.00 58.65 59.27 3hpg h GLN 129 Cb 0.23 -0.10 0.01 0.00 0.21 0.00 0.00 27.48 27.83 3hpg h GLN 129 CO -0.01 0.29 -1.00 -0.07 -1.93 0.00 0.00 178.83 176.11 3hpg h LEU 130 N 0.45 0.57 -0.95 -2.39 3.38 -1.03 -3.02 115.31 112.32 3hpg h LEU 130 Ca 0.17 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 3hpg h LEU 130 Cb 0.10 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3hpg h LEU 130 CO -0.04 1.29 0.29 0.25 0.09 0.00 0.00 178.44 180.32 3hpg h LEU 131 N 0.23 0.96 -1.12 1.67 5.85 -0.61 -0.85 115.31 121.44 3hpg h LEU 131 Ca -0.10 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 3hpg h LEU 131 Cb 1.65 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 3hpg h LEU 131 CO 0.18 0.85 -0.16 0.24 -0.34 0.00 0.00 178.44 179.21 3hpg h MET 132 N 1.03 0.43 -0.21 1.25 2.86 -1.32 -1.92 114.93 117.05 3hpg h MET 132 Ca 0.24 -0.13 -0.08 0.00 -2.06 0.00 0.00 59.70 57.67 3hpg h MET 132 Cb 0.19 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 3hpg h MET 132 CO -0.02 0.58 -0.18 0.87 1.06 0.00 0.00 176.91 179.22 3hpg h LYS 133 N 0.40 0.49 -0.94 1.72 6.56 -1.33 0.15 116.57 123.62 3hpg h LYS 133 Ca 0.07 -0.25 0.09 0.00 -1.06 0.00 0.00 60.65 59.50 3hpg h LYS 133 Cb 0.51 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 32.11 3hpg h LYS 133 CO 0.03 0.82 0.61 -0.92 -2.06 0.00 0.00 179.45 177.93 3hpg h TYR 134 N 0.18 1.07 0.00 -1.35 3.20 -0.90 -0.54 116.97 118.62 3hpg h TYR 134 Ca 0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3hpg h TYR 134 Cb 0.71 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.64 3hpg h TYR 134 CO 0.08 0.51 -0.28 1.28 -1.64 0.00 0.00 178.16 178.10 3hpg n LEU 135 N -4.53 0.37 -0.63 2.82 4.77 -0.75 -4.95 117.00 114.10 3hpg n LEU 135 Ca 0.16 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 3hpg n LEU 135 Cb 0.27 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3hpg n LEU 135 CO 0.31 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3hpg n GLY 136 N 1.46 0.81 3.24 -0.72 0.00 -0.21 -5.06 105.19 104.70 3hpg n GLY 136 Ca 0.06 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.98 2.34 -0.92 -0.61 1.01 0.47 -4.87 121.20 115.64 3hpg s ILE 137 Ca 0.00 -0.90 -0.24 0.00 0.00 0.00 0.00 60.65 59.51 3hpg s ILE 137 Cb 0.00 -1.95 0.05 0.00 0.01 0.00 0.00 42.46 40.57 3hpg s ILE 137 CO 0.00 0.54 1.37 -1.61 0.00 0.00 0.00 174.94 175.24 3hpg s GLU 138 N 0.61 3.45 -0.47 2.79 2.02 -0.91 -4.46 118.70 121.74 3hpg s GLU 138 Ca -0.11 -0.87 -0.17 0.00 0.02 0.00 0.00 54.97 53.84 3hpg s GLU 138 Cb -0.16 -4.93 0.05 0.00 0.10 0.00 0.00 34.13 29.18 3hpg s GLU 138 CO 0.03 -2.16 0.49 -1.58 0.02 0.00 0.00 175.26 172.07 3hpg s HIS 139 N 5.08 3.15 0.03 1.61 5.65 -1.26 -0.78 115.29 128.76 3hpg s HIS 139 Ca 0.41 -0.58 -0.11 0.00 0.25 0.00 0.00 55.06 55.03 3hpg s HIS 139 Cb -0.03 -3.20 -0.06 0.00 -1.18 0.00 0.00 32.58 28.11 3hpg s HIS 139 CO -0.01 -0.85 0.38 0.95 -0.65 0.00 0.00 174.74 174.56 3hpg s THR 140 N 2.19 5.10 0.03 0.89 -4.23 -0.19 -4.97 115.64 114.46 3hpg s THR 140 Ca 0.11 0.58 0.07 0.00 -1.18 0.00 0.00 61.69 61.27 3hpg s THR 140 Cb -0.20 -3.65 -0.03 0.00 1.34 0.00 0.00 72.50 69.96 3hpg s THR 140 CO 0.11 0.42 -0.18 -0.89 -0.54 0.00 0.00 174.62 173.54 3hpg s THR 141 N -1.25 2.77 0.00 3.99 2.01 -1.26 -2.75 115.64 119.15 3hpg s THR 141 Ca 0.28 -1.14 0.00 0.00 0.31 0.00 0.00 61.69 61.14 3hpg s THR 141 Cb -0.15 -2.15 0.00 0.00 0.01 0.00 0.00 72.50 70.21 3hpg s THR 141 CO 0.15 0.38 0.00 0.61 -0.69 0.00 0.00 174.62 175.07 3hpg n GLY 142 N 1.67 3.52 2.00 4.40 0.00 -0.24 -4.93 105.19 111.61 3hpg n GLY 142 Ca -0.16 -1.85 -0.36 0.00 0.00 0.00 0.00 46.02 43.64 3hpg n GLY 142 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3hpg n ILE 143 N -1.22 0.00 -0.86 -0.61 -6.64 -1.26 -4.68 119.36 104.09 3hpg n ILE 143 Ca 0.00 0.00 -0.38 0.00 -1.77 0.00 0.00 62.75 60.60 3hpg n ILE 143 Cb 0.00 -0.27 -0.07 0.00 -1.44 0.00 0.00 39.64 37.86 3hpg n ILE 143 CO 0.00 0.00 0.00 -2.65 -1.77 0.00 0.00 176.55 172.13 3hpg n PRO 144 N 2.50 0.00 -0.05 6.28 -0.02 -1.26 -4.88 135.00 137.56 3hpg n PRO 144 Ca 0.19 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.79 3hpg n PRO 144 Cb -0.03 -0.92 0.34 0.00 -0.02 0.00 0.00 33.50 32.87 3hpg n PRO 144 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3hpg n TRP 145 N 3.93 0.14 -3.79 6.00 5.03 -1.26 -4.92 117.44 122.58 3hpg n TRP 145 Ca 0.29 -0.07 -0.20 0.00 3.03 0.00 0.00 57.50 60.55 3hpg n TRP 145 Cb -0.03 0.00 -0.17 0.00 -1.03 0.00 0.00 31.31 30.08 3hpg n TRP 145 CO 0.00 0.00 0.00 1.21 -0.03 0.00 0.00 177.69 178.87 3hpg s ASN 146 N -1.79 1.03 0.00 -0.99 3.84 -1.26 -5.00 114.94 110.78 3hpg s ASN 146 Ca 0.34 -0.01 0.26 0.00 0.21 0.00 0.00 52.86 53.67 3hpg s ASN 146 Cb 0.20 -0.26 1.44 0.00 -0.55 0.00 0.00 41.25 42.08 3hpg s ASN 146 CO 0.30 -0.18 1.92 -2.65 -2.79 0.00 0.00 177.10 173.70 3hpg n PRO 147 N 4.86 0.58 -0.08 0.43 -0.02 -1.26 -2.01 135.00 137.50 3hpg n PRO 147 Ca -0.12 0.02 -0.10 0.00 -2.02 0.00 0.00 63.50 61.28 3hpg n PRO 147 Cb 0.50 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.40 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 -1.16 0.83 0.01 -0.52 6.02 -1.26 -2.55 117.38 118.76 3hpg n GLN 148 Ca 0.16 0.07 -0.13 0.00 -0.01 0.00 0.00 57.00 57.09 3hpg n GLN 148 Cb 0.16 -1.33 -0.09 0.00 1.02 0.00 0.00 30.24 30.01 3hpg n GLN 148 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 3hpg h SER 149 N 0.00 -0.01 -0.31 1.08 0.02 -1.97 -1.80 113.55 110.56 3hpg h SER 149 Ca -0.36 -0.27 0.06 0.00 -0.84 0.00 0.00 61.79 60.38 3hpg h SER 149 Cb 1.63 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.12 3hpg h SER 149 CO -0.04 0.27 -0.02 1.56 -1.14 0.00 0.00 176.83 177.46 3hpg h GLN 150 N -0.28 0.07 -0.49 3.45 7.50 -1.60 0.23 115.11 123.99 3hpg h GLN 150 Ca -0.00 -0.00 0.10 0.00 0.50 0.00 0.00 58.65 59.24 3hpg h GLN 150 Cb 0.27 -0.01 -0.09 0.00 0.05 0.00 0.00 27.48 27.70 3hpg h GLN 150 CO 0.00 0.04 -0.09 0.00 -1.50 0.00 0.00 178.83 177.29 3hpg h ALA 151 N 1.28 0.36 0.10 3.87 0.00 -1.46 -0.13 119.26 123.29 3hpg h ALA 151 Ca 0.15 0.18 -0.26 0.00 0.00 0.00 0.00 54.91 54.98 3hpg h ALA 151 Cb 0.21 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3hpg h ALA 151 CO -0.27 -0.43 -1.19 1.25 0.00 0.00 0.00 179.25 178.62 3hpg h LEU 152 N 0.03 0.38 -0.59 0.00 5.85 -1.10 -2.73 115.31 117.15 3hpg h LEU 152 Ca 0.24 -0.40 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 3hpg h LEU 152 Cb 0.37 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3hpg h LEU 152 CO -0.48 1.30 0.21 0.58 -0.34 0.00 0.00 178.44 179.71 3hpg h VAL 153 N 0.08 1.24 -0.26 1.05 2.07 -0.72 0.87 116.25 120.57 3hpg h VAL 153 Ca -0.12 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 3hpg h VAL 153 Cb 1.91 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 3hpg h VAL 153 CO 0.19 0.29 0.08 -0.08 0.02 0.00 0.00 177.57 178.08 3hpg h GLU 154 N 0.83 0.41 -0.76 1.57 4.57 -1.03 -0.37 114.58 119.80 3hpg h GLU 154 Ca 0.19 -0.09 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 3hpg h GLU 154 Cb 0.24 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 3hpg h GLU 154 CO -0.01 0.48 0.35 0.00 -1.18 0.00 0.00 179.01 178.64 3hpg h ARG 155 N 0.26 1.09 -0.03 1.92 2.47 -1.45 -2.24 114.38 116.40 3hpg h ARG 155 Ca 0.08 -0.16 -0.00 0.00 -1.26 0.00 0.00 59.98 58.64 3hpg h ARG 155 Cb 0.24 -0.20 -0.00 0.00 -1.65 0.00 0.00 29.97 28.36 3hpg h ARG 155 CO -0.00 0.85 0.02 1.15 0.56 0.00 0.00 179.97 182.55 3hpg h THR 156 N 1.08 1.08 -0.61 2.04 2.02 -0.45 -0.15 112.91 117.92 3hpg h THR 156 Ca 0.26 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 3hpg h THR 156 Cb 0.13 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 3hpg h THR 156 CO -0.03 0.07 0.33 0.45 0.37 0.00 0.00 175.52 176.71 3hpg h HIS 157 N -0.05 0.82 -0.19 3.16 3.86 -0.94 -0.54 115.15 121.27 3hpg h HIS 157 Ca 0.01 -0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 59.09 3hpg h HIS 157 Cb 0.10 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.30 3hpg h HIS 157 CO -0.04 0.57 -0.34 1.96 0.86 0.00 0.00 177.93 180.94 3hpg h GLN 158 N 0.85 0.56 -0.02 2.45 4.20 -1.24 -2.44 115.11 119.47 3hpg h GLN 158 Ca 0.22 -0.35 -0.05 0.00 0.06 0.00 0.00 58.65 58.52 3hpg h GLN 158 Cb 0.02 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3hpg h GLN 158 CO -0.04 0.96 -0.24 1.15 -0.67 0.00 0.00 178.83 180.00 3hpg h THR 159 N 0.23 1.18 0.34 -0.54 2.02 -0.71 0.15 112.91 115.59 3hpg h THR 159 Ca 0.01 -0.86 -0.02 0.00 0.77 0.00 0.00 66.41 66.31 3hpg h THR 159 Cb 0.93 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 3hpg h THR 159 CO 0.08 0.25 -0.16 0.25 0.37 0.00 0.00 175.52 176.30 3hpg h LEU 160 N 0.03 -0.39 -0.28 2.58 5.85 -1.00 -0.87 115.31 121.24 3hpg h LEU 160 Ca 0.00 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.62 3hpg h LEU 160 Cb 0.44 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 3hpg h LEU 160 CO 0.03 -0.05 0.06 0.11 -0.34 0.00 0.00 178.44 178.25 3hpg h LYS 161 N -0.76 0.15 -0.33 1.25 1.57 -1.22 -0.49 116.57 116.75 3hpg h LYS 161 Ca -0.05 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 3hpg h LYS 161 Cb 0.51 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.75 3hpg h LYS 161 CO 0.08 0.10 0.11 -0.97 -0.57 0.00 0.00 179.45 178.20 3hpg h ASN 162 N 0.16 0.13 1.35 0.86 -1.24 -0.65 -1.68 115.58 114.50 3hpg h ASN 162 Ca 0.13 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.17 3hpg h ASN 162 Cb 0.13 0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.20 3hpg h ASN 162 CO -0.17 0.11 0.00 0.71 -1.29 0.00 0.00 177.43 176.79 3hpg h THR 163 N 0.26 0.00 -0.05 -3.57 1.35 -1.00 -2.61 112.91 107.29 3hpg h THR 163 Ca 0.15 -0.48 -0.00 0.00 -0.55 0.00 0.00 66.41 65.52 3hpg h THR 163 Cb 0.11 1.42 -0.00 0.00 -1.73 0.00 0.00 68.15 67.95 3hpg h THR 163 CO -0.15 0.00 0.01 -0.07 -0.25 0.00 0.00 175.52 175.07 3hpg h LEU 164 N 0.00 0.07 -1.50 3.87 3.38 -0.39 -2.48 115.31 118.27 3hpg h LEU 164 Ca 0.00 -0.21 0.18 0.00 0.09 0.00 0.00 57.88 57.94 3hpg h LEU 164 Cb 0.67 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 3hpg h LEU 164 CO 0.00 0.27 0.57 -0.08 0.09 0.00 0.00 178.44 179.28 3hpg h GLU 165 N -0.12 0.44 -0.03 1.13 4.57 -0.95 0.16 114.58 119.78 3hpg h GLU 165 Ca 0.02 -0.03 -0.20 0.00 -1.18 0.00 0.00 59.36 57.97 3hpg h GLU 165 Cb 0.22 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 3hpg h GLU 165 CO -0.00 0.29 -0.82 0.87 -1.18 0.00 0.00 179.01 178.17 3hpg h LYS 166 N 0.45 0.31 0.02 1.92 1.57 -1.41 -3.39 116.57 116.04 3hpg h LYS 166 Ca 0.44 -0.30 -0.38 0.00 -1.87 0.00 0.00 60.65 58.55 3hpg h LYS 166 Cb 1.01 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 33.34 3hpg h LYS 166 CO -0.17 0.98 -2.35 1.28 -0.57 0.00 0.00 179.45 178.62 3hpg n LEU 167 N -3.75 2.02 0.28 2.94 4.77 -0.44 -4.56 117.00 118.25 3hpg n LEU 167 Ca -0.04 -0.02 0.17 0.00 -0.03 0.00 0.00 56.01 56.08 3hpg n LEU 167 Cb 0.77 -0.50 0.93 0.00 -2.33 0.00 0.00 43.42 42.28 3hpg n LEU 167 CO 0.48 0.78 1.14 0.16 -1.33 0.00 0.00 177.39 178.62 3hpg h ILE 168 N 0.01 0.42 0.00 -0.08 3.07 -0.94 0.17 117.51 120.15 3hpg h ILE 168 Ca -0.53 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 65.86 3hpg h ILE 168 Cb 2.02 0.93 -0.00 0.00 -0.27 0.00 0.00 36.82 39.50 3hpg h ILE 168 CO -0.02 0.00 -0.06 -0.65 -1.05 0.00 0.00 178.15 176.36 3hpg h PRO 169 N 0.00 0.00 -0.01 0.16 0.11 -1.81 -3.01 132.00 127.43 3hpg h PRO 169 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3hpg h PRO 169 Cb 0.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.30 3hpg h PRO 169 CO -0.00 0.06 -0.19 -1.33 -0.21 0.00 0.00 178.00 176.33 3hpg n MET 170 N -3.36 1.37 -4.70 1.05 2.81 0.59 -4.92 117.12 109.96 3hpg n MET 170 Ca -0.01 -0.94 -0.25 0.00 -1.81 0.00 0.00 57.70 54.68 3hpg n MET 170 Cb 0.21 -1.48 -0.16 0.00 -0.71 0.00 0.00 33.22 31.08 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 -2.28 1.52 0.04 2.03 0.08 -1.14 -5.03 117.98 113.20 3hpg s PHE 171 Ca 0.27 -0.47 -0.26 0.00 0.12 0.00 0.00 56.93 56.59 3hpg s PHE 171 Cb 0.20 -1.06 -0.17 0.00 -0.57 0.00 0.00 43.02 41.42 3hpg s PHE 171 CO 0.45 -0.19 1.47 -0.97 -0.10 0.00 0.00 175.22 175.88 3hpg h ASN 172 N 6.48 -0.28 -3.42 1.36 -0.00 -1.91 -3.43 115.58 114.38 3hpg h ASN 172 Ca -0.32 -0.13 -0.54 0.00 -0.00 0.00 0.00 56.30 55.31 3hpg h ASN 172 Cb 1.18 0.07 -0.04 0.00 -0.00 0.00 0.00 38.32 39.53 3hpg h ASN 172 CO 0.48 -0.03 0.04 0.00 -0.00 0.00 0.00 177.43 177.91 3hpg s ALA 173 N -5.40 3.50 0.14 1.57 0.00 -1.26 -4.98 121.76 115.33 3hpg s ALA 173 Ca -0.15 0.09 -0.14 0.00 0.00 0.00 0.00 51.96 51.76 3hpg s ALA 173 Cb 0.03 -2.72 0.01 0.00 0.00 0.00 0.00 23.12 20.44 3hpg s ALA 173 CO 0.61 0.37 1.65 0.35 0.00 0.00 0.00 175.76 178.74 3hpg h PHE 174 N 3.87 0.74 -0.92 0.00 3.57 -1.94 -2.69 116.94 119.57 3hpg h PHE 174 Ca -0.48 -0.09 0.12 0.00 3.53 0.00 0.00 57.97 61.05 3hpg h PHE 174 Cb 1.20 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 39.66 3hpg h PHE 174 CO 0.65 0.68 0.59 0.93 -2.23 0.00 0.00 178.31 178.93 3hpg h GLU 175 N 0.58 0.82 0.00 1.11 3.07 -1.98 -0.07 114.58 118.12 3hpg h GLU 175 Ca 0.14 -0.05 -0.13 0.00 -0.50 0.00 0.00 59.36 58.82 3hpg h GLU 175 Cb 0.31 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 3hpg h GLU 175 CO 0.00 0.54 -0.61 0.66 -1.40 0.00 0.00 179.01 178.20 3hpg h SER 176 N 0.85 0.00 -0.25 1.42 4.64 -1.95 -2.28 113.55 115.98 3hpg h SER 176 Ca 0.45 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.65 3hpg h SER 176 Cb 0.54 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 3hpg h SER 176 CO -0.21 0.61 -0.27 0.00 -0.87 0.00 0.00 176.83 176.09 3hpg h ALA 177 N 1.39 0.85 -0.48 5.18 0.00 -0.87 -0.98 119.26 124.35 3hpg h ALA 177 Ca -0.01 -0.39 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 3hpg h ALA 177 Cb 1.45 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 3hpg h ALA 177 CO 0.08 0.63 0.02 1.25 0.00 0.00 0.00 179.25 181.24 3hpg h LEU 178 N 0.63 0.81 -0.17 0.00 5.85 -1.03 -1.81 115.31 119.60 3hpg h LEU 178 Ca 0.08 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.52 3hpg h LEU 178 Cb 0.78 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 3hpg h LEU 178 CO 0.06 0.91 0.06 0.00 -0.34 0.00 0.00 178.44 179.13 3hpg h ALA 179 N 0.94 0.18 -0.89 1.25 0.00 -1.31 -1.98 119.26 117.44 3hpg h ALA 179 Ca 0.14 0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.20 3hpg h ALA 179 Cb 0.48 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.18 3hpg h ALA 179 CO 0.02 -0.38 0.50 0.78 0.00 0.00 0.00 179.25 180.18 3hpg h GLY 180 N 0.14 1.47 1.72 0.00 0.00 -1.06 -0.51 103.07 104.83 3hpg h GLY 180 Ca 0.07 -0.31 -0.11 0.00 0.00 0.00 0.00 47.33 46.97 3hpg h GLY 180 CO -0.07 0.03 -0.42 -0.91 0.00 0.00 0.00 176.54 175.16 3hpg h THR 181 N 0.75 1.31 -0.55 4.70 1.35 -0.95 -1.39 112.91 118.13 3hpg h THR 181 Ca 0.47 -1.56 -0.04 0.00 -0.55 0.00 0.00 66.41 64.73 3hpg h THR 181 Cb 0.60 1.68 -0.03 0.00 -1.73 0.00 0.00 68.15 68.67 3hpg h THR 181 CO -0.32 0.47 0.19 -0.07 -0.25 0.00 0.00 175.52 175.54 3hpg h LEU 182 N 0.25 0.74 -0.18 3.87 3.38 -0.56 -0.36 115.31 122.45 3hpg h LEU 182 Ca 0.02 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3hpg h LEU 182 Cb 0.85 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3hpg h LEU 182 CO 0.07 0.68 0.10 0.40 0.09 0.00 0.00 178.44 179.78 3hpg h ILE 183 N 0.79 1.10 -0.13 1.22 2.04 -0.61 0.34 117.51 122.27 3hpg h ILE 183 Ca 0.18 -0.28 -0.17 0.00 1.00 0.00 0.00 64.86 65.60 3hpg h ILE 183 Cb 0.20 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3hpg h ILE 183 CO -0.01 0.10 -0.62 0.71 0.00 0.00 0.00 178.15 178.32 3hpg h THR 184 N 0.20 1.35 0.00 -0.27 1.35 -0.78 0.25 112.91 115.01 3hpg h THR 184 Ca 0.07 -1.95 -0.08 0.00 -0.55 0.00 0.00 66.41 63.90 3hpg h THR 184 Cb 0.07 1.93 -0.01 0.00 -1.73 0.00 0.00 68.15 68.41 3hpg h THR 184 CO -0.01 0.59 -0.80 -0.07 -0.25 0.00 0.00 175.52 174.98 3hpg h LEU 185 N 0.33 0.00 0.00 3.87 3.38 -1.13 -0.85 115.31 120.91 3hpg h LEU 185 Ca -0.01 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.61 3hpg h LEU 185 Cb 1.17 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.86 3hpg h LEU 185 CO 0.11 0.31 -2.33 0.59 0.09 0.00 0.00 178.44 177.21 3hpg n ASN 186 N -2.97 1.33 -0.04 -0.43 3.02 0.11 -4.59 115.26 111.68 3hpg n ASN 186 Ca -0.02 -0.07 -0.08 0.00 -0.03 0.00 0.00 54.58 54.39 3hpg n ASN 186 Cb 0.68 0.24 -0.03 0.00 -0.61 0.00 0.00 39.78 40.06 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 -2.97 0.43 0.11 2.41 5.41 -0.23 -1.79 119.36 122.73 3hpg n ILE 187 Ca -0.37 -0.12 -0.02 0.00 1.00 0.00 0.00 62.75 63.24 3hpg n ILE 187 Cb 1.02 -1.39 0.04 0.00 -0.71 0.00 0.00 39.64 38.61 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 -0.21 0.00 -6.49 0.38 1.79 -1.08 -3.44 116.57 107.53 3hpg h LYS 188 Ca -0.19 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.73 3hpg h LYS 188 Cb 1.20 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.77 3hpg h LYS 188 CO -0.10 0.72 0.98 0.50 -1.08 0.00 0.00 179.45 180.47 3hpg s ARG 189 N -3.08 3.43 -0.09 3.15 3.52 -0.32 -5.03 118.95 120.52 3hpg s ARG 189 Ca 0.01 0.11 -0.08 0.00 -0.13 0.00 0.00 55.73 55.64 3hpg s ARG 189 Cb 0.10 -4.05 -0.04 0.00 -1.56 0.00 0.00 34.95 29.40 3hpg s ARG 189 CO 0.77 -1.78 0.19 0.15 -0.81 0.00 0.00 175.30 173.83 3hpg s LYS 190 N 5.07 3.53 -0.19 5.12 1.02 -1.26 -4.03 119.74 129.00 3hpg s LYS 190 Ca 0.41 -0.04 -0.02 0.00 0.02 0.00 0.00 55.97 56.33 3hpg s LYS 190 Cb -0.08 -3.19 -0.01 0.00 -0.52 0.00 0.00 37.83 34.03 3hpg s LYS 190 CO 0.23 0.76 -0.08 0.20 -0.92 0.00 0.00 175.35 175.54 3hpg s GLY 191 N -1.07 1.57 0.00 -3.33 0.00 -0.82 -4.83 107.32 98.84 3hpg s GLY 191 Ca 0.17 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.79 3hpg s GLY 191 CO 0.06 0.26 0.00 0.61 0.00 0.00 0.00 173.10 174.03 3hpg n GLY 192 N 4.45 0.53 2.01 0.20 0.00 -1.26 -2.07 105.19 109.05 3hpg n GLY 192 Ca -0.19 0.68 -0.22 0.00 0.00 0.00 0.00 46.02 46.29 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 6.57 -3.83 0.99 4.77 -1.26 -4.91 117.00 119.33 3hpg n LEU 193 Ca 0.00 -3.49 -0.26 0.00 -0.03 0.00 0.00 56.01 52.23 3hpg n LEU 193 Cb 0.00 -0.94 0.02 0.00 -2.33 0.00 0.00 43.42 40.17 3hpg n LEU 193 CO 0.00 1.20 0.01 0.61 -1.33 0.00 0.00 177.39 177.87 3hpg n GLY 194 N -0.30 -0.39 3.17 -0.72 0.00 -0.88 -5.02 105.19 101.06 3hpg n GLY 194 Ca 0.43 0.16 -0.33 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.51 2.17 0.76 2.61 -4.23 -1.20 -4.80 115.64 107.44 3hpg s THR 195 Ca 0.33 -0.93 -0.13 0.00 -1.18 0.00 0.00 61.69 59.78 3hpg s THR 195 Cb -0.17 -1.89 0.05 0.00 1.34 0.00 0.00 72.50 71.84 3hpg s THR 195 CO 0.83 0.54 1.15 -0.94 -0.54 0.00 0.00 174.62 175.66 3hpg s SER 196 N 0.98 4.22 0.35 3.99 1.04 -1.26 -1.94 113.70 121.09 3hpg s SER 196 Ca -0.03 2.14 0.09 0.00 0.48 0.00 0.00 55.95 58.63 3hpg s SER 196 Cb -0.15 -2.56 0.81 0.00 0.10 0.00 0.00 66.02 64.22 3hpg s SER 196 CO -0.05 -2.23 1.87 -0.65 0.98 0.00 0.00 173.24 173.16 3hpg h PRO 197 N -0.67 0.68 -0.23 4.02 0.11 -1.69 -0.24 132.00 133.98 3hpg h PRO 197 Ca -0.46 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 3hpg h PRO 197 Cb 1.27 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3hpg h PRO 197 CO 0.49 0.45 -0.23 1.98 -0.21 0.00 0.00 178.00 180.48 3hpg h MET 198 N 0.70 0.42 -0.08 1.05 1.85 -1.68 -0.72 114.93 116.47 3hpg h MET 198 Ca 0.44 -0.15 0.03 0.00 -0.61 0.00 0.00 59.70 59.42 3hpg h MET 198 Cb 0.69 -0.03 -0.04 0.00 0.43 0.00 0.00 31.60 32.66 3hpg h MET 198 CO -0.20 0.63 -0.13 -0.44 -0.40 0.00 0.00 176.91 176.37 3hpg h ASP 199 N 0.37 -0.38 -0.18 1.39 3.32 -1.32 -1.41 116.42 118.21 3hpg h ASP 199 Ca 0.06 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3hpg h ASP 199 Cb 0.62 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 3hpg h ASP 199 CO 0.04 -0.17 0.12 0.40 -1.72 0.00 0.00 179.24 177.91 3hpg h ILE 200 N -0.17 1.06 0.18 0.35 1.08 -1.10 -0.81 117.51 118.09 3hpg h ILE 200 Ca 0.07 -0.13 0.01 0.00 -0.39 0.00 0.00 64.86 64.43 3hpg h ILE 200 Cb 0.27 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 34.81 3hpg h ILE 200 CO -0.18 0.06 -0.29 0.15 -0.69 0.00 0.00 178.15 177.20 3hpg h PHE 201 N 0.23 -0.78 -0.72 1.37 3.57 -0.97 -0.95 116.94 118.69 3hpg h PHE 201 Ca 0.07 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.61 3hpg h PHE 201 Cb -0.01 0.32 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 3hpg h PHE 201 CO -0.06 -0.40 0.44 0.82 -2.23 0.00 0.00 178.31 176.88 3hpg h ILE 202 N -0.54 1.08 -0.16 1.41 2.04 -1.21 -2.05 117.51 118.08 3hpg h ILE 202 Ca 0.02 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.60 3hpg h ILE 202 Cb 0.54 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3hpg h ILE 202 CO -0.13 0.16 0.02 0.15 0.00 0.00 0.00 178.15 178.35 3hpg h PHE 203 N 0.86 0.03 -0.79 1.37 3.57 -0.82 -1.15 116.94 120.01 3hpg h PHE 203 Ca 0.29 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.87 3hpg h PHE 203 Cb 0.04 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.73 3hpg h PHE 203 CO -0.04 0.00 0.47 -0.91 -2.23 0.00 0.00 178.31 175.60 3hpg h ASN 204 N 0.08 0.72 -0.67 0.41 2.35 -0.99 -1.18 115.58 116.30 3hpg h ASN 204 Ca 0.07 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 3hpg h ASN 204 Cb 0.07 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 3hpg h ASN 204 CO -0.10 0.46 0.27 0.11 -1.65 0.00 0.00 177.43 176.51 3hpg h LYS 205 N 0.85 1.03 -0.21 0.81 1.79 -0.90 -2.01 116.57 117.93 3hpg h LYS 205 Ca 0.35 -0.18 -0.18 0.00 -2.18 0.00 0.00 60.65 58.47 3hpg h LYS 205 Cb 0.20 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 3hpg h LYS 205 CO -0.19 0.84 -0.55 1.49 -1.08 0.00 0.00 179.45 179.96 3hpg h GLU 206 N 1.01 0.75 -0.27 3.15 4.57 -0.77 -2.82 114.58 120.20 3hpg h GLU 206 Ca 0.23 -0.52 -0.05 0.00 -1.18 0.00 0.00 59.36 57.84 3hpg h GLU 206 Cb 0.20 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 3hpg h GLU 206 CO -0.02 1.15 -0.06 1.96 -1.18 0.00 0.00 179.01 180.86 3hpg h GLN 207 N 0.48 0.43 -0.27 1.92 7.50 -1.09 -1.74 115.11 122.34 3hpg h GLN 207 Ca -0.01 -0.10 0.00 0.00 0.50 0.00 0.00 58.65 59.04 3hpg h GLN 207 Cb 1.17 -0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.63 3hpg h GLN 207 CO 0.12 0.51 0.17 1.96 -1.50 0.00 0.00 178.83 180.09 3hpg h GLN 208 N 0.41 0.36 -0.49 1.46 4.20 -1.28 -1.08 115.11 118.70 3hpg h GLN 208 Ca 0.09 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 3hpg h GLN 208 Cb 0.37 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 3hpg h GLN 208 CO 0.02 0.26 0.27 -0.09 -0.67 0.00 0.00 178.83 178.62 3hpg h ARG 209 N 0.35 0.68 -0.62 1.46 2.43 -1.16 -2.04 114.38 115.48 3hpg h ARG 209 Ca 0.10 -0.08 0.08 0.00 -0.81 0.00 0.00 59.98 59.27 3hpg h ARG 209 Cb -0.01 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.34 3hpg h ARG 209 CO -0.02 0.53 0.28 0.82 -1.51 0.00 0.00 179.97 180.07 3hpg h ILE 210 N 0.64 0.85 -0.28 1.20 2.04 -1.23 -2.02 117.51 118.71 3hpg h ILE 210 Ca 0.17 -0.17 -0.21 0.00 1.00 0.00 0.00 64.86 65.65 3hpg h ILE 210 Cb 0.05 0.30 -0.08 0.00 -0.74 0.00 0.00 36.82 36.35 3hpg h ILE 210 CO -0.03 0.09 0.07 0.00 0.00 0.00 0.00 178.15 178.29 3hpg n GLN 211 N -4.92 1.66 0.00 2.37 6.02 -0.42 -5.11 117.38 116.99 3hpg n GLN 211 Ca 0.08 -1.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.07 3hpg n GLN 211 Cb 0.23 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 29.92 3hpg n GLN 211 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05