#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hph n ASN 4 N 0.00 6.36 0.08 4.31 6.94 -1.26 -4.63 115.26 127.06 3hph n ASN 4 Ca 0.00 -2.67 -0.20 0.00 -0.02 0.00 0.00 54.58 51.69 3hph n ASN 4 Cb 0.00 -1.56 -0.11 0.00 -2.36 0.00 0.00 39.78 35.74 3hph n ASN 4 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 3hph h ILE 5 N 3.48 1.32 0.00 1.53 2.10 -1.97 -3.25 117.51 120.72 3hph h ILE 5 Ca 0.72 -2.48 -0.02 0.00 1.08 0.00 0.00 64.86 64.16 3hph h ILE 5 Cb 0.44 2.62 -0.00 0.00 -1.09 0.00 0.00 36.82 38.79 3hph h ILE 5 CO 1.82 0.75 -0.09 -0.65 -1.08 0.00 0.00 178.15 178.90 3hph h PRO 6 N 0.27 0.00 0.00 2.19 0.11 -2.02 -2.23 132.00 130.33 3hph h PRO 6 Ca -0.16 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.86 3hph h PRO 6 Cb 1.84 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.93 3hph h PRO 6 CO 0.22 0.09 -0.43 1.25 -0.21 0.00 0.00 178.00 178.92 3hph h LEU 7 N 0.00 0.00 -0.30 2.35 5.85 -1.94 -2.56 115.31 118.72 3hph h LEU 7 Ca -0.00 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 3hph h LEU 7 Cb 0.22 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3hph h LEU 7 CO 0.01 0.43 -0.25 0.00 -0.34 0.00 0.00 178.44 178.29 3hph h ALA 8 N 1.57 0.43 -0.29 1.25 0.00 -1.46 -1.64 119.26 119.12 3hph h ALA 8 Ca -0.00 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.53 3hph h ALA 8 Cb 0.86 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3hph h ALA 8 CO 0.06 0.42 0.18 0.93 0.00 0.00 0.00 179.25 180.83 3hph h GLU 9 N 0.44 0.35 -0.39 0.00 5.08 -1.51 0.39 114.58 118.94 3hph h GLU 9 Ca 0.05 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 3hph h GLU 9 Cb 0.81 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.93 3hph h GLU 9 CO 0.06 0.23 0.10 0.93 -1.00 0.00 0.00 179.01 179.33 3hph h GLU 10 N 0.36 0.23 -0.32 2.33 5.08 -1.42 -0.39 114.58 120.45 3hph h GLU 10 Ca 0.11 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.32 3hph h GLU 10 Cb -0.01 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 3hph h GLU 10 CO -0.05 0.15 -0.34 0.93 -1.00 0.00 0.00 179.01 178.70 3hph h GLU 11 N 0.24 0.80 -0.50 2.33 4.39 -1.06 -3.13 114.58 117.66 3hph h GLU 11 Ca 0.19 -0.43 -0.04 0.00 0.34 0.00 0.00 59.36 59.41 3hph h GLU 11 Cb 0.20 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 3hph h GLU 11 CO -0.22 1.06 0.13 1.25 -1.16 0.00 0.00 179.01 180.07 3hph h HIS 12 N 0.58 0.76 0.00 4.33 2.76 0.07 -1.18 115.15 122.46 3hph h HIS 12 Ca 0.05 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 3hph h HIS 12 Cb 0.93 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.66 3hph h HIS 12 CO 0.07 0.63 0.00 -0.91 -1.30 0.00 0.00 177.93 176.42 3hph h ASN 13 N 0.72 0.00 0.01 3.26 2.35 -1.02 0.48 115.58 121.39 3hph h ASN 13 Ca 0.16 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.52 3hph h ASN 13 Cb 0.25 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.56 3hph h ASN 13 CO -0.00 0.00 -2.22 0.29 -1.65 0.00 0.00 177.43 173.84 3hph n LYS 14 N -2.38 0.62 -0.00 0.81 5.02 -0.82 -4.79 118.16 116.62 3hph n LYS 14 Ca -0.00 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 3hph n LYS 14 Cb 0.13 -1.57 -0.00 0.00 -0.02 0.00 0.00 35.03 33.57 3hph n LYS 14 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3hph n TRP 15 N -3.96 0.00 -4.01 2.13 7.02 -0.51 -5.05 117.44 113.05 3hph n TRP 15 Ca -0.46 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 55.70 3hph n TRP 15 Cb 0.89 -0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.76 3hph n TRP 15 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 3hph n HIS 16 N -1.15 -1.55 -2.23 -5.99 8.25 0.17 -4.79 115.22 107.92 3hph n HIS 16 Ca 0.00 0.52 -0.34 0.00 -0.26 0.00 0.00 57.72 57.63 3hph n HIS 16 Cb 0.01 -3.26 0.00 0.00 1.12 0.00 0.00 29.99 27.86 3hph n HIS 16 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3hph s GLN 17 N -6.83 3.36 0.94 -0.41 1.11 -1.26 -5.04 119.66 111.54 3hph s GLN 17 Ca 0.19 1.51 -0.12 0.00 0.01 0.00 0.00 55.36 56.96 3hph s GLN 17 Cb -0.09 -2.02 0.16 0.00 -1.01 0.00 0.00 33.01 30.05 3hph s GLN 17 CO 0.93 -0.82 1.09 0.16 0.01 0.00 0.00 175.29 176.65 3hph s ASP 18 N -1.98 3.01 0.37 5.90 -4.77 -1.26 -4.75 116.67 113.18 3hph s ASP 18 Ca 0.70 1.48 0.05 0.00 -3.30 0.00 0.00 52.55 51.49 3hph s ASP 18 Cb -0.22 -2.16 0.74 0.00 -1.09 0.00 0.00 42.92 40.20 3hph s ASP 18 CO 0.28 -2.93 1.99 0.00 0.70 0.00 0.00 175.17 175.21 3hph h ALA 19 N -1.75 1.68 -0.42 2.11 0.00 -1.97 -1.61 119.26 117.30 3hph h ALA 19 Ca -0.51 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 3hph h ALA 19 Cb 1.30 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3hph h ALA 19 CO 0.54 0.24 0.06 0.28 0.00 0.00 0.00 179.25 180.37 3hph h VAL 20 N 0.74 1.24 -0.28 0.00 2.07 -1.92 -2.59 116.25 115.51 3hph h VAL 20 Ca 0.27 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 3hph h VAL 20 Cb 0.13 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3hph h VAL 20 CO -0.08 0.31 0.17 0.28 0.02 0.00 0.00 177.57 178.27 3hph h SER 21 N 0.56 0.34 -0.48 0.57 0.02 -1.45 -2.35 113.55 110.75 3hph h SER 21 Ca 0.13 -0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.06 3hph h SER 21 Cb 0.38 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 3hph h SER 21 CO 0.01 0.29 0.26 -0.07 -1.14 0.00 0.00 176.83 176.18 3hph h LEU 22 N 0.35 0.40 -1.00 5.07 3.38 -1.41 -0.03 115.31 122.07 3hph h LEU 22 Ca 0.10 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.18 3hph h LEU 22 Cb 0.02 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.63 3hph h LEU 22 CO -0.02 0.28 0.64 -0.74 0.09 0.00 0.00 178.44 178.69 3hph h HIS 23 N 0.52 1.17 0.15 1.13 2.76 -1.27 -1.68 115.15 117.92 3hph h HIS 23 Ca 0.20 0.03 -0.29 0.00 -2.20 0.00 0.00 60.37 58.12 3hph h HIS 23 Cb 0.08 -0.38 0.01 0.00 1.55 0.00 0.00 27.41 28.67 3hph h HIS 23 CO -0.09 0.53 -1.42 -0.07 -1.30 0.00 0.00 177.93 175.59 3hph h LEU 24 N 1.08 0.49 -0.90 0.26 3.38 -1.06 -2.99 115.31 115.57 3hph h LEU 24 Ca 0.46 -0.90 -0.11 0.00 0.09 0.00 0.00 57.88 57.43 3hph h LEU 24 Cb 0.33 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3hph h LEU 24 CO -0.22 1.64 -0.40 -0.08 0.09 0.00 0.00 178.44 179.47 3hph h GLU 25 N -0.17 0.30 -0.05 1.13 4.81 -0.97 -3.34 114.58 116.28 3hph h GLU 25 Ca -0.29 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 3hph h GLU 25 Cb 1.86 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.24 3hph h GLU 25 CO 0.12 0.66 0.00 1.19 -0.73 0.00 0.00 179.01 180.25 3hph n PHE 26 N -4.03 0.07 -4.12 0.92 3.72 -0.64 -5.01 117.46 108.37 3hph n PHE 26 Ca -0.01 -0.40 -0.29 0.00 -0.05 0.00 0.00 57.45 56.69 3hph n PHE 26 Cb 0.48 -0.04 -0.04 0.00 -0.94 0.00 0.00 39.48 38.94 3hph n PHE 26 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hph n GLY 27 N -0.22 -0.24 3.74 1.37 0.00 -1.13 -4.67 105.19 104.03 3hph n GLY 27 Ca 0.02 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3hph n GLY 27 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hph s ILE 28 N -3.93 4.37 0.64 -0.61 -4.36 -1.22 -4.79 121.20 111.30 3hph s ILE 28 Ca 0.16 -0.73 -0.17 0.00 -0.26 0.00 0.00 60.65 59.64 3hph s ILE 28 Cb -0.09 -3.05 -0.08 0.00 1.25 0.00 0.00 42.46 40.48 3hph s ILE 28 CO 0.93 0.21 0.34 -2.65 0.24 0.00 0.00 174.94 174.00 3hph n PRO 29 N 0.77 0.32 -0.10 0.37 -0.02 -1.26 -4.56 135.00 130.52 3hph n PRO 29 Ca -0.11 0.13 -0.11 0.00 -2.02 0.00 0.00 63.50 61.40 3hph n PRO 29 Cb 0.52 -1.58 -0.03 0.00 -0.02 0.00 0.00 33.50 32.39 3hph n PRO 29 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hph h ARG 30 N -0.09 0.53 0.00 -0.52 3.08 -1.96 -2.90 114.38 112.53 3hph h ARG 30 Ca -0.45 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.45 3hph h ARG 30 Cb 1.39 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.38 3hph h ARG 30 CO 0.43 0.65 0.00 0.25 -1.07 0.00 0.00 179.97 180.23 3hph n THR 31 N -4.59 0.00 -0.11 2.04 -2.24 -1.26 -2.20 114.28 105.93 3hph n THR 31 Ca -0.02 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.63 3hph n THR 31 Cb 0.24 -0.66 -0.14 0.00 -2.10 0.00 0.00 70.33 67.67 3hph n THR 31 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hph n ALA 32 N -1.00 1.50 -0.02 6.98 0.00 -1.11 -3.58 120.51 123.29 3hph n ALA 32 Ca 0.16 -1.18 -0.12 0.00 0.00 0.00 0.00 53.44 52.30 3hph n ALA 32 Cb 0.07 -0.12 -0.07 0.00 0.00 0.00 0.00 19.45 19.33 3hph n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hph h ALA 33 N 0.56 0.10 0.00 0.00 0.00 -1.29 -2.56 119.26 116.06 3hph h ALA 33 Ca -0.53 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 3hph h ALA 33 Cb 2.05 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.80 3hph h ALA 33 CO -0.02 -0.26 -0.15 0.93 0.00 0.00 0.00 179.25 179.75 3hph h GLU 34 N -0.12 0.00 -0.11 0.00 5.08 -1.64 -2.11 114.58 115.68 3hph h GLU 34 Ca 0.02 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.21 3hph h GLU 34 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3hph h GLU 34 CO 0.00 0.15 -0.64 0.22 -1.00 0.00 0.00 179.01 177.74 3hph h ASP 35 N 0.00 0.49 -0.56 1.42 3.58 -1.60 0.81 116.42 120.55 3hph h ASP 35 Ca -0.00 -0.29 -0.07 0.00 0.42 0.00 0.00 57.03 57.09 3hph h ASP 35 Cb 0.27 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.16 3hph h ASP 35 CO 0.02 1.00 0.09 0.40 -2.88 0.00 0.00 179.24 177.87 3hph h ILE 36 N 0.31 1.25 0.04 2.25 2.04 -0.96 -3.07 117.51 119.37 3hph h ILE 36 Ca -0.01 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 3hph h ILE 36 Cb 1.19 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 3hph h ILE 36 CO 0.11 0.36 -0.02 0.58 0.00 0.00 0.00 178.15 179.18 3hph h VAL 37 N 0.91 0.89 0.00 1.67 2.07 -1.42 -2.99 116.25 117.38 3hph h VAL 37 Ca 0.18 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.16 3hph h VAL 37 Cb 0.41 1.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3hph h VAL 37 CO 0.01 0.29 0.00 0.00 0.02 0.00 0.00 177.57 177.89 3hph n GLN 38 N -4.75 0.14 -0.87 1.57 3.00 0.27 -1.30 117.38 115.44 3hph n GLN 38 Ca -0.06 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 56.94 3hph n GLN 38 Cb 0.25 -1.27 0.00 0.00 0.00 0.00 0.00 30.24 29.23 3hph n GLN 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3hph n GLN 39 N -0.77 0.00 -3.69 -1.09 10.64 -1.16 -5.03 117.38 116.28 3hph n GLN 39 Ca 0.02 -1.30 -0.37 0.00 -1.83 0.00 0.00 57.00 53.53 3hph n GLN 39 Cb 0.01 -0.26 -0.10 0.00 -0.86 0.00 0.00 30.24 29.03 3hph n GLN 39 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3hph h ASP 41 N 7.70 0.00 1.63 0.00 3.32 -1.91 -2.76 116.42 124.39 3hph h ASP 41 Ca -0.37 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.61 3hph h ASP 41 Cb 1.17 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 3hph h ASP 41 CO 0.63 0.19 -0.37 0.58 -1.72 0.00 0.00 179.24 178.55 3hph h VAL 42 N 0.00 0.57 -3.81 -1.35 2.07 -1.95 -3.55 116.25 108.23 3hph h VAL 42 Ca -0.00 -1.81 -0.49 0.00 0.82 0.00 0.00 66.70 65.21 3hph h VAL 42 Cb 0.34 2.27 0.02 0.00 -1.52 0.00 0.00 31.29 32.40 3hph h VAL 42 CO 0.02 0.33 0.18 0.00 0.02 0.00 0.00 177.57 178.12 3hph h ILE 60 N 0.82 0.33 -2.06 0.00 6.09 -2.02 -3.47 117.51 117.19 3hph h ILE 60 Ca -0.47 -0.01 -0.57 0.00 -1.37 0.00 0.00 64.86 62.44 3hph h ILE 60 Cb 1.19 0.28 -0.39 0.00 0.47 0.00 0.00 36.82 38.37 3hph h ILE 60 CO 0.63 0.01 -1.02 0.47 -3.07 0.00 0.00 178.15 175.17 3hph n ASP 61 N -5.41 0.71 -4.20 2.19 8.00 -1.26 -4.96 116.55 111.62 3hph n ASP 61 Ca 0.11 -2.79 -0.33 0.00 0.71 0.00 0.00 54.79 52.48 3hph n ASP 61 Cb 0.40 -0.64 -0.15 0.00 -0.02 0.00 0.00 41.12 40.70 3hph n ASP 61 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3hph s HIS 62 N -1.30 2.81 0.23 1.24 2.46 -1.26 -1.41 115.29 118.06 3hph s HIS 62 Ca 0.36 -1.32 0.09 0.00 0.47 0.00 0.00 55.06 54.65 3hph s HIS 62 Cb 0.16 -1.95 -0.04 0.00 -0.13 0.00 0.00 32.58 30.61 3hph s HIS 62 CO -0.10 -0.66 -0.02 -1.58 -2.47 0.00 0.00 174.74 169.91 3hph s TRP 63 N 1.19 2.73 0.03 3.88 0.52 -0.64 -1.55 118.94 125.10 3hph s TRP 63 Ca 0.02 -0.20 0.08 0.00 0.02 0.00 0.00 56.10 56.03 3hph s TRP 63 Cb -0.14 -1.26 -0.03 0.00 -1.15 0.00 0.00 33.47 30.89 3hph s TRP 63 CO -0.07 0.57 -0.25 -1.14 0.02 0.00 0.00 176.95 176.09 3hph s GLN 64 N -3.33 1.73 -0.05 4.98 0.74 -0.43 -0.04 119.66 123.26 3hph s GLN 64 Ca 0.29 -1.02 0.04 0.00 0.05 0.00 0.00 55.36 54.72 3hph s GLN 64 Cb -0.08 -1.84 0.00 0.00 1.10 0.00 0.00 33.01 32.19 3hph s GLN 64 CO 0.19 0.48 -0.17 0.54 -0.55 0.00 0.00 175.29 175.78 3hph s VAL 65 N -0.75 1.42 0.04 1.34 0.11 -0.95 -0.45 120.40 121.16 3hph s VAL 65 Ca 0.10 -0.69 0.02 0.00 -2.93 0.00 0.00 61.98 58.48 3hph s VAL 65 Cb -0.10 -1.24 -0.02 0.00 -1.53 0.00 0.00 36.38 33.49 3hph s VAL 65 CO 0.01 0.41 -0.08 -1.81 -3.33 0.00 0.00 175.10 170.31 3hph s ASP 66 N 0.22 0.89 0.18 3.54 1.01 0.04 -4.58 116.67 117.97 3hph s ASP 66 Ca -0.08 -0.53 -0.26 0.00 0.71 0.00 0.00 52.55 52.38 3hph s ASP 66 Cb -0.13 0.03 -0.08 0.00 1.01 0.00 0.00 42.92 43.74 3hph s ASP 66 CO 0.03 -0.18 0.81 -0.31 0.21 0.00 0.00 175.17 175.73 3hph s TYR 67 N -1.32 3.92 0.08 4.23 2.02 -1.26 -0.84 117.35 124.17 3hph s TYR 67 Ca -0.09 1.69 0.05 0.00 -0.37 0.00 0.00 57.07 58.36 3hph s TYR 67 Cb -0.10 -2.82 -0.03 0.00 -0.40 0.00 0.00 41.96 38.61 3hph s TYR 67 CO 0.00 0.49 -0.14 0.99 -1.57 0.00 0.00 175.55 175.32 3hph s THR 68 N -1.10 1.16 -0.01 -0.71 2.01 0.86 -4.97 115.64 112.88 3hph s THR 68 Ca 0.37 -1.37 0.05 0.00 0.31 0.00 0.00 61.69 61.05 3hph s THR 68 Cb -0.24 -1.15 -0.03 0.00 0.01 0.00 0.00 72.50 71.09 3hph s THR 68 CO 0.27 -0.25 -0.16 -1.00 -0.69 0.00 0.00 174.62 172.79 3hph s HIS 69 N -1.40 2.63 -0.23 4.92 0.09 -1.26 -0.65 115.29 119.38 3hph s HIS 69 Ca -0.00 -0.21 -0.04 0.00 -0.00 0.00 0.00 55.06 54.80 3hph s HIS 69 Cb -0.09 -1.56 0.08 0.00 -0.00 0.00 0.00 32.58 31.01 3hph s HIS 69 CO 0.02 0.20 0.12 -0.47 -0.00 0.00 0.00 174.74 174.61 3hph s TYR 70 N -0.80 0.23 0.00 1.40 5.04 0.10 -4.96 117.35 118.36 3hph s TYR 70 Ca 0.13 -0.59 0.00 0.00 -2.44 0.00 0.00 57.07 54.17 3hph s TYR 70 Cb -0.11 -0.79 0.00 0.00 0.35 0.00 0.00 41.96 41.42 3hph s TYR 70 CO 0.02 -0.68 0.00 0.39 -1.34 0.00 0.00 175.55 173.94 3hph n GLU 71 N 5.27 0.00 0.19 4.97 1.02 -1.26 -0.44 120.64 130.38 3hph n GLU 71 Ca -0.06 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.20 3hph n GLU 71 Cb 0.45 0.00 0.25 0.00 -0.02 0.00 0.00 31.44 32.12 3hph n GLU 71 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 3hph h ASP 72 N 0.00 0.00 -3.34 1.62 -0.00 -2.03 -3.46 116.42 109.21 3hph h ASP 72 Ca 0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 57.03 56.47 3hph h ASP 72 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 39.33 39.29 3hph h ASP 72 CO 0.00 0.00 0.04 -0.54 -0.00 0.00 0.00 179.24 178.74 3hph s LYS 73 N -3.18 4.34 -0.09 4.15 1.02 0.41 -5.07 119.74 121.32 3hph s LYS 73 Ca 0.08 0.89 -0.01 0.00 0.02 0.00 0.00 55.97 56.95 3hph s LYS 73 Cb 0.07 -3.25 -0.03 0.00 -0.52 0.00 0.00 37.83 34.10 3hph s LYS 73 CO 0.65 0.59 -0.04 0.96 -0.92 0.00 0.00 175.35 176.59 3hph s ILE 74 N -1.05 3.96 -0.09 2.17 -4.36 -1.26 0.00 121.20 120.57 3hph s ILE 74 Ca 0.32 -0.37 0.02 0.00 -0.26 0.00 0.00 60.65 60.35 3hph s ILE 74 Cb -0.21 -2.65 0.02 0.00 1.25 0.00 0.00 42.46 40.87 3hph s ILE 74 CO 0.21 0.58 -0.12 -0.63 0.24 0.00 0.00 174.94 175.23 3hph s ILE 75 N -0.64 1.21 -0.10 8.37 1.01 0.17 -1.48 121.20 129.74 3hph s ILE 75 Ca 0.10 -0.48 -0.26 0.00 0.00 0.00 0.00 60.65 60.00 3hph s ILE 75 Cb -0.12 -1.13 -0.02 0.00 0.01 0.00 0.00 42.46 41.20 3hph s ILE 75 CO 0.02 0.38 0.85 -0.22 0.00 0.00 0.00 174.94 175.97 3hph s LEU 76 N 0.97 4.26 -0.13 2.97 2.96 -0.18 -0.10 118.68 129.44 3hph s LEU 76 Ca -0.08 1.33 -0.00 0.00 -0.22 0.00 0.00 54.13 55.15 3hph s LEU 76 Cb -0.15 -3.31 0.03 0.00 0.50 0.00 0.00 46.19 43.26 3hph s LEU 76 CO -0.00 -0.30 -0.07 -0.69 -1.32 0.00 0.00 176.35 173.97 3hph s VAL 77 N 1.54 1.04 -0.14 1.68 1.01 -0.02 -1.59 120.40 123.92 3hph s VAL 77 Ca 0.42 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 3hph s VAL 77 Cb -0.18 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 3hph s VAL 77 CO 0.18 0.31 -0.00 0.26 0.00 0.00 0.00 175.10 175.84 3hph s TRP 78 N 1.69 3.12 -0.15 5.22 0.52 0.20 -0.78 118.94 128.77 3hph s TRP 78 Ca 0.04 -0.04 0.01 0.00 0.02 0.00 0.00 56.10 56.13 3hph s TRP 78 Cb -0.13 -1.93 0.02 0.00 -1.15 0.00 0.00 33.47 30.28 3hph s TRP 78 CO -0.08 0.18 -0.16 0.08 0.02 0.00 0.00 176.95 177.00 3hph s VAL 79 N -0.07 1.66 -0.08 4.03 1.01 0.40 -0.39 120.40 126.97 3hph s VAL 79 Ca 0.03 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 3hph s VAL 79 Cb -0.13 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 3hph s VAL 79 CO 0.02 0.47 1.01 -0.70 0.00 0.00 0.00 175.10 175.90 3hph s GLU 80 N 1.34 4.45 0.07 2.72 -6.30 0.17 -1.32 118.70 119.83 3hph s GLU 80 Ca 0.02 1.41 0.25 0.00 -2.50 0.00 0.00 54.97 54.16 3hph s GLU 80 Cb -0.13 -3.52 0.51 0.00 0.00 0.00 0.00 34.13 30.99 3hph s GLU 80 CO -0.09 -0.26 1.44 0.25 0.02 0.00 0.00 175.26 176.62 3hph n THR 81 N 4.39 0.20 0.07 -1.70 -2.24 -0.60 0.03 114.28 114.44 3hph n THR 81 Ca 0.08 -0.15 0.11 0.00 -2.27 0.00 0.00 64.05 61.82 3hph n THR 81 Cb 0.49 -0.05 -0.05 0.00 -2.10 0.00 0.00 70.33 68.62 3hph n THR 81 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3hph n ASN 82 N -1.84 0.64 -0.00 3.42 3.02 -1.26 -4.50 115.26 114.74 3hph n ASN 82 Ca 0.05 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.85 3hph n ASN 82 Cb 0.39 0.81 -0.00 0.00 -0.61 0.00 0.00 39.78 40.37 3hph n ASN 82 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3hph n SER 83 N -2.59 4.99 0.00 6.41 3.41 -1.23 -4.93 113.62 119.69 3hph n SER 83 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 3hph n SER 83 Cb 0.57 0.81 0.00 0.00 -0.26 0.00 0.00 64.21 65.33 3hph n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hph n GLY 84 N 2.69 0.66 3.77 5.00 0.00 0.10 -4.49 105.19 112.94 3hph n GLY 84 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3hph n GLY 84 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hph s LEU 85 N 0.00 4.37 -0.11 0.99 2.96 -1.20 -4.72 118.68 120.97 3hph s LEU 85 Ca 0.00 2.88 0.01 0.00 -0.22 0.00 0.00 54.13 56.80 3hph s LEU 85 Cb 0.00 -3.66 -0.02 0.00 0.50 0.00 0.00 46.19 43.01 3hph s LEU 85 CO 0.00 -0.71 -0.14 -0.63 -1.32 0.00 0.00 176.35 173.55 3hph s ILE 86 N -1.12 3.03 -0.08 6.68 1.01 -1.26 -0.65 121.20 128.81 3hph s ILE 86 Ca 0.51 -0.69 0.05 0.00 0.00 0.00 0.00 60.65 60.52 3hph s ILE 86 Cb -0.43 -2.25 -0.01 0.00 0.01 0.00 0.00 42.46 39.78 3hph s ILE 86 CO 0.58 0.54 -0.23 -0.47 0.00 0.00 0.00 174.94 175.36 3hph s TYR 87 N 0.07 2.51 0.06 3.97 5.04 0.47 -4.98 117.35 124.49 3hph s TYR 87 Ca -0.05 -0.79 -0.13 0.00 -2.44 0.00 0.00 57.07 53.65 3hph s TYR 87 Cb -0.15 -1.65 0.02 0.00 0.35 0.00 0.00 41.96 40.53 3hph s TYR 87 CO 0.04 -0.26 0.30 0.00 -1.34 0.00 0.00 175.55 174.30 3hph s ALA 88 N -0.00 -0.66 -0.28 3.97 0.00 -1.26 0.62 121.76 124.15 3hph s ALA 88 Ca -0.08 -0.07 -0.25 0.00 0.00 0.00 0.00 51.96 51.57 3hph s ALA 88 Cb -0.15 0.37 0.12 0.00 0.00 0.00 0.00 23.12 23.46 3hph s ALA 88 CO 0.05 -0.44 0.99 -2.00 0.00 0.00 0.00 175.76 174.36 3hph s GLU 89 N -2.80 0.55 0.32 0.00 2.12 -0.62 -5.00 118.70 113.27 3hph s GLU 89 Ca -0.03 0.65 -0.28 0.00 0.36 0.00 0.00 54.97 55.68 3hph s GLU 89 Cb 0.00 0.27 -0.09 0.00 0.26 0.00 0.00 34.13 34.56 3hph s GLU 89 CO -0.05 -0.07 1.11 0.50 -0.54 0.00 0.00 175.26 176.21 3hph s ARG 90 N 0.26 4.45 -0.01 4.30 3.52 -1.26 -1.01 118.95 129.20 3hph s ARG 90 Ca 0.03 1.76 0.01 0.00 -0.13 0.00 0.00 55.73 57.40 3hph s ARG 90 Cb -0.05 -2.98 0.00 0.00 -1.56 0.00 0.00 34.95 30.36 3hph s ARG 90 CO -0.05 0.05 -0.04 0.08 -0.81 0.00 0.00 175.30 174.53 3hph s VAL 91 N -1.30 0.35 0.10 7.11 1.01 -0.55 -4.90 120.40 122.21 3hph s VAL 91 Ca 0.49 -0.16 -0.20 0.00 0.00 0.00 0.00 61.98 62.11 3hph s VAL 91 Cb -0.30 -0.32 -0.09 0.00 0.00 0.00 0.00 36.38 35.67 3hph s VAL 91 CO 0.38 0.11 1.68 0.11 0.00 0.00 0.00 175.10 177.39 3hph h LYS 92 N 6.23 0.24 0.00 2.72 1.79 -1.96 -3.39 116.57 122.19 3hph h LYS 92 Ca -0.30 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 3hph h LYS 92 Cb 1.19 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 3hph h LYS 92 CO 0.50 0.26 0.00 0.41 -1.08 0.00 0.00 179.45 179.54 3hph n GLY 93 N -0.87 3.41 0.93 3.86 0.00 -1.26 -4.92 105.19 106.34 3hph n GLY 93 Ca -0.04 -1.30 0.01 0.00 0.00 0.00 0.00 46.02 44.68 3hph n GLY 93 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hph n GLU 94 N 0.00 1.89 -2.38 1.61 1.02 -1.26 -4.91 120.64 116.61 3hph n GLU 94 Ca 0.00 -3.11 -0.35 0.00 -0.02 0.00 0.00 57.16 53.68 3hph n GLU 94 Cb 0.00 -1.76 -0.02 0.00 -0.02 0.00 0.00 31.44 29.65 3hph n GLU 94 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3hph s THR 95 N -3.16 3.40 0.61 2.62 -4.23 -1.26 -4.28 115.64 109.35 3hph s THR 95 Ca 0.42 0.93 0.37 0.00 -1.18 0.00 0.00 61.69 62.23 3hph s THR 95 Cb 0.38 -3.41 0.40 0.00 1.34 0.00 0.00 72.50 71.21 3hph s THR 95 CO -0.00 -0.13 2.30 1.23 -0.54 0.00 0.00 174.62 177.48 3hph h GLY 96 N 1.63 0.00 0.90 3.99 0.00 -1.89 -2.29 103.07 105.41 3hph h GLY 96 Ca -0.50 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.74 3hph h GLY 96 CO 0.59 0.00 -0.22 -1.61 0.00 0.00 0.00 176.54 175.29 3hph h GLN 97 N 0.00 0.59 -0.38 4.80 4.15 -1.93 -1.14 115.11 121.20 3hph h GLN 97 Ca -0.00 -0.30 -0.12 0.00 0.77 0.00 0.00 58.65 59.00 3hph h GLN 97 Cb 0.02 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 3hph h GLN 97 CO 0.00 0.89 -0.21 1.49 -1.93 0.00 0.00 178.83 179.07 3hph h GLU 98 N 0.30 0.81 -0.45 1.69 4.81 -1.87 -3.05 114.58 116.83 3hph h GLU 98 Ca 0.04 -0.37 0.07 0.00 -0.13 0.00 0.00 59.36 58.98 3hph h GLU 98 Cb 0.77 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 3hph h GLU 98 CO 0.06 1.00 0.31 0.35 -0.73 0.00 0.00 179.01 180.00 3hph h PHE 99 N 0.61 0.30 -0.03 0.92 3.57 -1.18 -0.91 116.94 120.22 3hph h PHE 99 Ca 0.08 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.42 3hph h PHE 99 Cb 0.77 -0.10 0.01 0.00 2.79 0.00 0.00 35.95 39.43 3hph h PHE 99 CO 0.06 0.16 -0.64 0.00 -2.23 0.00 0.00 178.31 175.65 3hph h ARG 100 N 0.30 0.50 -0.58 1.11 3.08 -1.11 0.32 114.38 117.99 3hph h ARG 100 Ca 0.20 -0.49 0.12 0.00 0.07 0.00 0.00 59.98 59.88 3hph h ARG 100 Cb 0.43 0.13 -0.09 0.00 0.08 0.00 0.00 29.97 30.51 3hph h ARG 100 CO -0.04 1.13 0.04 0.28 -1.07 0.00 0.00 179.97 180.31 3hph h VAL 101 N 0.05 0.57 0.00 2.04 2.07 -1.29 -1.75 116.25 117.94 3hph h VAL 101 Ca -0.07 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 3hph h VAL 101 Cb 1.32 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 3hph h VAL 101 CO 0.13 0.03 -0.38 1.56 0.02 0.00 0.00 177.57 178.93 3hph h GLN 102 N 0.16 0.00 -0.63 1.57 1.08 -0.95 -1.37 115.11 114.96 3hph h GLN 102 Ca 0.30 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.42 3hph h GLN 102 Cb 0.47 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.88 3hph h GLN 102 CO -0.46 0.38 0.08 1.15 -0.95 0.00 0.00 178.83 179.03 3hph h THR 103 N 0.00 1.26 -0.27 -0.54 2.02 -0.47 -2.13 112.91 112.78 3hph h THR 103 Ca -0.00 -1.05 0.03 0.00 0.77 0.00 0.00 66.41 66.16 3hph h THR 103 Cb 0.86 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 3hph h THR 103 CO 0.05 0.39 0.09 0.24 0.37 0.00 0.00 175.52 176.65 3hph h MET 104 N 0.97 0.20 -0.47 6.66 2.86 -0.38 0.16 114.93 124.93 3hph h MET 104 Ca 0.19 -0.01 -0.14 0.00 -2.06 0.00 0.00 59.70 57.68 3hph h MET 104 Cb 0.46 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 3hph h MET 104 CO 0.02 0.13 -0.25 0.87 1.06 0.00 0.00 176.91 178.74 3hph h LYS 105 N 0.21 0.99 -0.54 1.72 1.57 -1.37 -0.99 116.57 118.17 3hph h LYS 105 Ca 0.12 -0.44 -0.05 0.00 -1.87 0.00 0.00 60.65 58.41 3hph h LYS 105 Cb 0.09 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3hph h LYS 105 CO -0.13 1.12 0.15 2.35 -0.57 0.00 0.00 179.45 182.36 3hph h TRP 106 N 0.85 0.89 -0.46 -1.35 7.01 -1.28 -0.76 115.95 120.84 3hph h TRP 106 Ca 0.10 -0.10 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 3hph h TRP 106 Cb 0.84 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 27.62 3hph h TRP 106 CO 0.06 0.77 0.25 -0.92 -2.79 0.00 0.00 178.44 175.80 3hph h TYR 107 N 0.75 0.63 -0.61 2.65 3.20 -0.71 -1.65 116.97 121.22 3hph h TYR 107 Ca 0.17 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.11 3hph h TYR 107 Cb 0.32 -0.20 -0.07 0.00 1.54 0.00 0.00 36.73 38.32 3hph h TYR 107 CO 0.02 0.47 0.25 0.00 -1.64 0.00 0.00 178.16 177.27 3hph h ALA 108 N 1.10 0.80 -0.33 1.82 0.00 -1.00 -1.61 119.26 120.04 3hph h ALA 108 Ca 0.16 0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.96 3hph h ALA 108 Cb 0.05 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3hph h ALA 108 CO -0.03 -0.15 -0.48 1.98 0.00 0.00 0.00 179.25 180.57 3hph h MET 109 N 0.46 0.90 0.00 0.00 1.85 -0.58 -3.40 114.93 114.16 3hph h MET 109 Ca 0.30 -0.54 0.00 0.00 -0.61 0.00 0.00 59.70 58.86 3hph h MET 109 Cb 0.34 0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.42 3hph h MET 109 CO -0.28 1.18 0.00 1.19 -0.40 0.00 0.00 176.91 178.60 3hph n PHE 110 N -4.03 0.00 -3.86 1.39 3.72 -0.67 -5.02 117.46 108.99 3hph n PHE 110 Ca -0.04 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.09 3hph n PHE 110 Cb 0.60 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.14 3hph n PHE 110 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hph n ALA 111 N -0.60 -2.19 -0.86 4.37 0.00 -0.62 -4.92 120.51 115.68 3hph n ALA 111 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 53.44 52.87 3hph n ALA 111 Cb 0.00 -2.33 0.16 0.00 0.00 0.00 0.00 19.45 17.28 3hph n ALA 111 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hph s PRO 112 N -6.37 1.03 -0.20 0.00 0.04 -1.26 -5.00 135.00 123.24 3hph s PRO 112 Ca 0.16 1.27 -0.00 0.00 0.04 0.00 0.00 61.00 62.46 3hph s PRO 112 Cb -0.06 -1.75 -0.12 0.00 0.04 0.00 0.00 34.50 32.61 3hph s PRO 112 CO 0.88 -2.53 -0.19 1.17 0.04 0.00 0.00 177.00 176.37 3hph n LYS 113 N -4.14 0.49 -3.68 4.56 3.00 -0.50 -4.92 118.16 112.97 3hph n LYS 113 Ca 0.09 0.13 -0.10 0.00 -0.00 0.00 0.00 58.31 58.43 3hph n LYS 113 Cb 0.53 -1.38 -0.04 0.00 0.00 0.00 0.00 35.03 34.14 3hph n LYS 113 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 3hph s SER 114 N -6.06 -0.28 -0.09 3.14 1.04 -1.11 -2.81 113.70 107.54 3hph s SER 114 Ca -0.27 -0.40 -0.13 0.00 0.48 0.00 0.00 55.95 55.63 3hph s SER 114 Cb 0.07 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.78 3hph s SER 114 CO 0.45 -0.99 0.33 -0.22 0.98 0.00 0.00 173.24 173.79 3hph s LEU 115 N -2.84 0.73 0.03 2.42 2.96 -0.12 -1.62 118.68 120.23 3hph s LEU 115 Ca 0.07 0.51 0.07 0.00 -0.22 0.00 0.00 54.13 54.57 3hph s LEU 115 Cb -0.00 1.21 -0.02 0.00 0.50 0.00 0.00 46.19 47.87 3hph s LEU 115 CO -0.06 -0.22 -0.22 0.00 -1.32 0.00 0.00 176.35 174.53 3hph s GLN 116 N -0.27 1.55 0.29 1.98 -2.07 0.95 -0.24 119.66 121.85 3hph s GLN 116 Ca -0.04 -0.93 -0.00 0.00 -1.82 0.00 0.00 55.36 52.57 3hph s GLN 116 Cb -0.03 -1.63 -0.02 0.00 -1.09 0.00 0.00 33.01 30.24 3hph s GLN 116 CO 0.02 0.42 0.32 -1.54 -1.32 0.00 0.00 175.29 173.20 3hph s SER 117 N -1.02 0.81 1.02 12.60 1.04 0.00 -2.25 113.70 125.90 3hph s SER 117 Ca 0.08 -1.47 -0.06 0.00 0.48 0.00 0.00 55.95 54.98 3hph s SER 117 Cb -0.09 0.55 0.08 0.00 0.10 0.00 0.00 66.02 66.66 3hph s SER 117 CO 0.01 -1.09 0.45 -0.90 0.98 0.00 0.00 173.24 172.69 3hph n ASP 118 N -1.01 -0.23 -2.07 7.02 5.68 -1.26 0.98 116.55 125.65 3hph n ASP 118 Ca 0.03 -1.09 -0.21 0.00 -0.50 0.00 0.00 54.79 53.02 3hph n ASP 118 Cb 0.63 -0.35 0.15 0.00 -1.14 0.00 0.00 41.12 40.41 3hph n ASP 118 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3hph n ASN 119 N -3.36 3.76 -4.50 -1.12 3.02 -1.26 -4.03 115.26 107.76 3hph n ASN 119 Ca 0.06 -3.41 -0.35 0.00 -0.03 0.00 0.00 54.58 50.85 3hph n ASN 119 Cb 0.20 -0.80 0.09 0.00 -0.61 0.00 0.00 39.78 38.66 3hph n ASN 119 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hph n GLY 120 N -0.93 -1.33 0.34 7.41 0.00 -1.26 -4.78 105.19 104.64 3hph n GLY 120 Ca 0.52 -0.48 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 3hph n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hph h PRO 121 N -0.71 -0.24 -0.93 1.61 0.11 -1.94 -2.70 132.00 127.20 3hph h PRO 121 Ca -0.45 0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.78 3hph h PRO 121 Cb 1.32 0.05 -0.08 0.00 0.11 0.00 0.00 31.00 32.41 3hph h PRO 121 CO 0.41 -0.16 0.56 0.00 -0.21 0.00 0.00 178.00 178.61 3hph h ALA 122 N 0.77 1.36 0.00 -0.75 0.00 -1.90 -2.26 119.26 116.48 3hph h ALA 122 Ca 0.18 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3hph h ALA 122 Cb 0.54 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3hph h ALA 122 CO -0.55 0.19 0.00 1.19 0.00 0.00 0.00 179.25 180.08 3hph n PHE 123 N -4.66 0.79 0.01 0.00 3.72 -1.04 -3.85 117.46 112.43 3hph n PHE 123 Ca 0.16 0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.82 3hph n PHE 123 Cb 0.31 -0.92 -0.00 0.00 -0.94 0.00 0.00 39.48 37.93 3hph n PHE 123 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3hph n VAL 124 N -2.17 0.00 -1.48 -4.37 0.31 -0.98 -4.72 118.33 104.92 3hph n VAL 124 Ca 0.04 -0.49 -0.37 0.00 -0.01 0.00 0.00 64.34 63.51 3hph n VAL 124 Cb 0.35 1.00 0.07 0.00 -0.91 0.00 0.00 33.84 34.35 3hph n VAL 124 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hph n ALA 125 N -0.86 -0.14 -0.25 3.52 0.00 -0.89 -4.75 120.51 117.14 3hph n ALA 125 Ca 0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 53.44 53.27 3hph n ALA 125 Cb 0.01 -2.09 0.05 0.00 0.00 0.00 0.00 19.45 17.41 3hph n ALA 125 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3hph h GLU 126 N 0.07 1.12 -0.90 0.00 4.81 -1.94 -2.37 114.58 115.37 3hph h GLU 126 Ca -0.48 -0.26 0.16 0.00 -0.13 0.00 0.00 59.36 58.65 3hph h GLU 126 Cb 1.35 -0.15 -0.10 0.00 0.63 0.00 0.00 28.75 30.48 3hph h GLU 126 CO 0.48 0.98 0.49 0.77 -0.73 0.00 0.00 179.01 181.01 3hph h SER 127 N 1.06 0.61 0.46 1.04 0.02 -1.97 -0.91 113.55 113.86 3hph h SER 127 Ca 0.22 0.10 -0.23 0.00 -0.84 0.00 0.00 61.79 61.04 3hph h SER 127 Cb 0.36 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 3hph h SER 127 CO 0.00 0.24 -0.98 0.71 -1.14 0.00 0.00 176.83 175.65 3hph h THR 128 N 0.67 1.45 -0.57 -2.27 1.35 -1.74 -1.66 112.91 110.14 3hph h THR 128 Ca 0.50 -2.61 -0.01 0.00 -0.55 0.00 0.00 66.41 63.74 3hph h THR 128 Cb 0.74 2.53 -0.03 0.00 -1.73 0.00 0.00 68.15 69.66 3hph h THR 128 CO -0.37 0.77 0.30 1.56 -0.25 0.00 0.00 175.52 177.52 3hph h GLN 129 N 0.17 0.79 -0.06 4.72 4.20 -0.93 -0.62 115.11 123.38 3hph h GLN 129 Ca -0.08 -0.09 -0.17 0.00 0.06 0.00 0.00 58.65 58.38 3hph h GLN 129 Cb 1.63 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 29.27 3hph h GLN 129 CO 0.16 0.59 -0.61 -0.07 -0.67 0.00 0.00 178.83 178.24 3hph h LEU 130 N 0.79 0.64 -1.11 1.46 3.38 -1.10 -2.65 115.31 116.72 3hph h LEU 130 Ca 0.20 -0.69 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 3hph h LEU 130 Cb 0.05 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3hph h LEU 130 CO -0.03 1.24 0.42 0.25 0.09 0.00 0.00 178.44 180.41 3hph h LEU 131 N 0.09 0.93 -0.70 1.67 5.85 -1.11 0.33 115.31 122.37 3hph h LEU 131 Ca -0.06 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.60 3hph h LEU 131 Cb 1.28 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 3hph h LEU 131 CO 0.12 0.74 0.46 0.24 -0.34 0.00 0.00 178.44 179.66 3hph h MET 132 N 1.05 0.91 -0.54 1.25 2.86 -1.10 0.16 114.93 119.52 3hph h MET 132 Ca 0.27 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.77 3hph h MET 132 Cb 0.01 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 3hph h MET 132 CO -0.05 0.60 0.00 0.87 1.06 0.00 0.00 176.91 179.40 3hph h LYS 133 N 0.94 0.96 -0.61 1.72 6.56 -1.00 0.20 116.57 125.34 3hph h LYS 133 Ca 0.26 -0.31 0.08 0.00 -1.06 0.00 0.00 60.65 59.62 3hph h LYS 133 Cb -0.09 -0.09 -0.06 0.00 -0.57 0.00 0.00 32.23 31.42 3hph h LYS 133 CO -0.06 0.97 0.28 -0.92 -2.06 0.00 0.00 179.45 177.65 3hph h TYR 134 N 0.84 0.50 -0.00 -1.35 3.20 0.16 -0.43 116.97 119.89 3hph h TYR 134 Ca 0.15 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3hph h TYR 134 Cb 0.53 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.67 3hph h TYR 134 CO 0.04 0.19 -0.02 1.28 -1.64 0.00 0.00 178.16 178.01 3hph n LEU 135 N -4.91 0.03 -2.84 2.82 4.77 -0.00 -4.91 117.00 111.95 3hph n LEU 135 Ca 0.08 0.43 -0.13 0.00 -0.03 0.00 0.00 56.01 56.36 3hph n LEU 135 Cb 0.22 -0.44 0.07 0.00 -2.33 0.00 0.00 43.42 40.94 3hph n LEU 135 CO 0.25 0.01 0.08 0.61 -1.33 0.00 0.00 177.39 177.01 3hph n GLY 136 N 1.45 -0.19 3.41 -0.72 0.00 -0.17 -5.03 105.19 103.96 3hph n GLY 136 Ca 0.08 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3hph n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hph s ILE 137 N -3.27 3.10 -0.43 -0.61 1.01 0.59 -4.92 121.20 116.67 3hph s ILE 137 Ca 0.02 -0.67 -0.25 0.00 0.00 0.00 0.00 60.65 59.75 3hph s ILE 137 Cb -0.00 -2.28 0.02 0.00 0.01 0.00 0.00 42.46 40.21 3hph s ILE 137 CO 0.55 0.55 0.88 -0.70 0.00 0.00 0.00 174.94 176.22 3hph s GLU 138 N -0.02 3.61 -0.36 2.79 2.12 -1.12 -4.16 118.70 121.56 3hph s GLU 138 Ca -0.03 0.23 -0.08 0.00 0.36 0.00 0.00 54.97 55.46 3hph s GLU 138 Cb -0.14 -3.89 0.05 0.00 0.26 0.00 0.00 34.13 30.41 3hph s GLU 138 CO 0.04 -1.10 0.15 -1.58 -0.54 0.00 0.00 175.26 172.23 3hph s HIS 139 N 3.54 3.28 -0.17 5.30 5.65 -1.26 -0.95 115.29 130.67 3hph s HIS 139 Ca 0.35 -1.39 -0.23 0.00 0.25 0.00 0.00 55.06 54.05 3hph s HIS 139 Cb -0.11 -2.44 -0.02 0.00 -1.18 0.00 0.00 32.58 28.82 3hph s HIS 139 CO 0.23 -0.74 0.70 0.99 -0.65 0.00 0.00 174.74 175.27 3hph s THR 140 N 1.42 4.98 -0.12 0.89 2.01 0.66 -4.99 115.64 120.49 3hph s THR 140 Ca -0.00 1.36 -0.05 0.00 0.31 0.00 0.00 61.69 63.31 3hph s THR 140 Cb -0.20 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 3hph s THR 140 CO 0.03 0.10 0.05 0.42 -0.69 0.00 0.00 174.62 174.54 3hph s THR 141 N 1.84 4.75 0.00 -0.82 -4.23 -1.26 -0.82 115.64 115.11 3hph s THR 141 Ca 0.33 -0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.77 3hph s THR 141 Cb -0.16 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.62 3hph s THR 141 CO 0.12 0.57 0.00 0.61 -0.54 0.00 0.00 174.62 175.38 3hph n GLY 142 N 2.52 -1.01 3.65 3.99 0.00 0.28 -4.90 105.19 109.72 3hph n GLY 142 Ca -0.18 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 3hph n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hph s ILE 143 N 0.00 3.94 0.71 -0.61 1.01 -1.19 -4.76 121.20 120.31 3hph s ILE 143 Ca 0.00 1.12 -0.16 0.00 0.00 0.00 0.00 60.65 61.61 3hph s ILE 143 Cb 0.00 -3.77 0.03 0.00 0.01 0.00 0.00 42.46 38.73 3hph s ILE 143 CO 0.00 -0.15 1.25 -2.84 0.00 0.00 0.00 174.94 173.21 3hph s PRO 144 N 3.89 2.18 -0.21 2.79 0.02 -1.26 -4.94 135.00 137.48 3hph s PRO 144 Ca 0.64 1.93 -0.29 0.00 0.02 0.00 0.00 61.00 63.29 3hph s PRO 144 Cb -0.26 -1.82 -0.00 0.00 0.02 0.00 0.00 34.50 32.44 3hph s PRO 144 CO 0.22 -1.85 1.18 -0.46 -0.33 0.00 0.00 177.00 175.77 3hph s TRP 145 N -1.72 3.02 -0.38 6.54 -0.00 -1.26 -4.91 118.94 120.22 3hph s TRP 145 Ca 0.78 1.16 -0.00 0.00 -0.00 0.00 0.00 56.10 58.05 3hph s TRP 145 Cb -0.34 -3.47 0.19 0.00 -0.00 0.00 0.00 33.47 29.85 3hph s TRP 145 CO 0.44 -1.23 0.85 1.21 -0.00 0.00 0.00 176.95 178.21 3hph s ASN 146 N 1.76 -0.95 0.38 5.86 3.84 -1.26 -5.07 114.94 119.51 3hph s ASN 146 Ca 0.51 -0.61 0.09 0.00 0.21 0.00 0.00 52.86 53.06 3hph s ASN 146 Cb -0.18 1.22 0.83 0.00 -0.55 0.00 0.00 41.25 42.57 3hph s ASN 146 CO 0.12 -0.09 1.95 -0.65 -2.79 0.00 0.00 177.10 175.64 3hph h PRO 147 N 5.91 0.63 -0.00 0.43 0.11 -1.97 0.22 132.00 137.33 3hph h PRO 147 Ca 0.01 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 3hph h PRO 147 Cb 1.19 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3hph h PRO 147 CO 0.00 0.42 -0.00 1.96 -0.21 0.00 0.00 178.00 180.17 3hph h GLN 148 N 0.65 0.00 -0.91 1.05 4.20 -1.99 -0.19 115.11 117.93 3hph h GLN 148 Ca 0.32 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 59.07 3hph h GLN 148 Cb 0.41 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.13 3hph h GLN 148 CO -0.11 0.59 0.58 1.03 -0.67 0.00 0.00 178.83 180.25 3hph h SER 149 N -0.59 0.95 0.26 1.46 0.87 -1.85 -1.33 113.55 113.33 3hph h SER 149 Ca -0.00 -0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.38 3hph h SER 149 Cb 0.59 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 3hph h SER 149 CO 0.00 0.64 -0.70 1.56 -0.53 0.00 0.00 176.83 177.81 3hph h GLN 150 N 1.11 0.39 -0.46 2.24 4.20 -0.52 -2.50 115.11 119.57 3hph h GLN 150 Ca 0.37 -0.31 -0.13 0.00 0.06 0.00 0.00 58.65 58.65 3hph h GLN 150 Cb 0.05 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3hph h GLN 150 CO -0.14 0.94 -0.22 0.00 -0.67 0.00 0.00 178.83 178.75 3hph h ALA 151 N 0.98 0.74 -0.32 3.87 0.00 -0.84 -2.71 119.26 120.99 3hph h ALA 151 Ca -0.02 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.51 3hph h ALA 151 Cb 1.26 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3hph h ALA 151 CO 0.12 0.67 0.18 1.25 0.00 0.00 0.00 179.25 181.47 3hph h LEU 152 N 0.81 0.29 -0.56 0.00 5.85 -1.07 0.88 115.31 121.53 3hph h LEU 152 Ca 0.11 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 3hph h LEU 152 Cb 0.78 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 3hph h LEU 152 CO 0.06 0.22 -0.14 0.58 -0.34 0.00 0.00 178.44 178.82 3hph h VAL 153 N 0.38 1.27 -0.27 1.05 2.07 -1.49 -1.08 116.25 118.17 3hph h VAL 153 Ca 0.13 -1.30 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 3hph h VAL 153 Cb 0.01 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3hph h VAL 153 CO -0.06 0.46 0.07 -0.08 0.02 0.00 0.00 177.57 177.97 3hph h GLU 154 N 0.88 0.44 -0.01 1.57 4.81 -1.23 0.18 114.58 121.23 3hph h GLU 154 Ca 0.13 -0.10 -0.13 0.00 -0.13 0.00 0.00 59.36 59.12 3hph h GLU 154 Cb 0.71 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 3hph h GLU 154 CO 0.05 0.52 -0.62 0.00 -0.73 0.00 0.00 179.01 178.24 3hph h ARG 155 N 0.27 0.02 -0.06 1.92 3.08 -0.75 -2.73 114.38 116.14 3hph h ARG 155 Ca 0.09 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3hph h ARG 155 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 3hph h ARG 155 CO 0.00 0.64 -0.04 1.15 -1.07 0.00 0.00 179.97 180.65 3hph h THR 156 N 0.02 1.35 -1.00 2.04 2.02 -1.00 -0.99 112.91 115.35 3hph h THR 156 Ca -0.01 -1.11 0.11 0.00 0.77 0.00 0.00 66.41 66.17 3hph h THR 156 Cb 1.10 1.97 -0.08 0.00 -1.74 0.00 0.00 68.15 69.40 3hph h THR 156 CO 0.08 0.30 0.63 0.45 0.37 0.00 0.00 175.52 177.36 3hph h HIS 157 N -0.29 1.15 -0.13 3.16 -0.00 -0.61 0.33 115.15 118.77 3hph h HIS 157 Ca 0.01 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.37 3hph h HIS 157 Cb 0.51 -0.37 -0.00 0.00 -0.00 0.00 0.00 27.41 27.55 3hph h HIS 157 CO 0.08 0.49 -0.09 0.37 -0.00 0.00 0.00 177.93 178.78 3hph h GLN 158 N 1.03 0.29 -0.04 2.45 -0.00 -1.39 -1.89 115.11 115.57 3hph h GLN 158 Ca 0.48 -0.14 -0.07 0.00 -0.00 0.00 0.00 58.65 58.92 3hph h GLN 158 Cb 0.41 -0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.88 3hph h GLN 158 CO -0.24 0.65 -0.30 1.15 0.00 0.00 0.00 178.83 180.08 3hph h THR 159 N -0.08 1.23 0.30 2.39 2.02 -0.70 0.27 112.91 118.34 3hph h THR 159 Ca 0.03 -1.11 -0.01 0.00 0.77 0.00 0.00 66.41 66.08 3hph h THR 159 Cb 0.58 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 3hph h THR 159 CO 0.02 0.32 -0.14 0.25 0.37 0.00 0.00 175.52 176.34 3hph h LEU 160 N 0.06 -0.34 -0.30 2.58 5.85 -0.21 -0.13 115.31 122.83 3hph h LEU 160 Ca 0.01 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.66 3hph h LEU 160 Cb 0.57 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 3hph h LEU 160 CO 0.04 -0.08 0.04 0.11 -0.34 0.00 0.00 178.44 178.21 3hph h LYS 161 N -0.59 0.14 -0.57 1.25 1.57 -0.98 -0.84 116.57 116.54 3hph h LYS 161 Ca -0.04 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 3hph h LYS 161 Cb 0.43 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 3hph h LYS 161 CO 0.07 0.09 -0.03 -0.97 -0.57 0.00 0.00 179.45 178.04 3hph h ASN 162 N 0.14 1.00 0.06 0.86 -0.73 -0.40 -2.63 115.58 113.89 3hph h ASN 162 Ca 0.14 -0.29 -0.21 0.00 1.87 0.00 0.00 56.30 57.81 3hph h ASN 162 Cb 0.16 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 38.49 3hph h ASN 162 CO -0.20 1.07 -0.77 0.74 -0.37 0.00 0.00 177.43 177.90 3hph h THR 163 N 0.93 1.33 -0.98 -3.57 2.02 -0.88 -3.12 112.91 108.64 3hph h THR 163 Ca 0.16 -2.07 0.07 0.00 0.77 0.00 0.00 66.41 65.33 3hph h THR 163 Cb 0.57 2.06 -0.07 0.00 -1.74 0.00 0.00 68.15 68.98 3hph h THR 163 CO 0.03 0.64 0.63 0.25 0.37 0.00 0.00 175.52 177.44 3hph h LEU 164 N 0.40 1.00 -1.03 2.58 5.85 -1.05 -2.07 115.31 120.99 3hph h LEU 164 Ca -0.05 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.60 3hph h LEU 164 Cb 1.37 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 3hph h LEU 164 CO 0.15 0.64 -0.19 -0.08 -0.34 0.00 0.00 178.44 178.62 3hph h GLU 165 N 1.14 0.47 -0.53 1.25 4.81 -1.42 -1.24 114.58 119.06 3hph h GLU 165 Ca 0.42 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 59.42 3hph h GLU 165 Cb 0.17 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3hph h GLU 165 CO -0.17 0.64 0.02 0.87 -0.73 0.00 0.00 179.01 179.64 3hph h LYS 166 N 0.43 0.93 0.00 1.92 1.57 -1.35 -3.35 116.57 116.72 3hph h LYS 166 Ca 0.07 -0.28 -0.10 0.00 -1.87 0.00 0.00 60.65 58.47 3hph h LYS 166 Cb 0.57 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 3hph h LYS 166 CO 0.04 0.93 -0.75 -0.07 -0.57 0.00 0.00 179.45 179.03 3hph h LEU 167 N 0.80 0.00 -0.46 2.94 3.38 -0.83 -3.37 115.31 117.78 3hph h LEU 167 Ca 0.15 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.20 3hph h LEU 167 Cb 0.50 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 3hph h LEU 167 CO 0.02 0.40 0.08 0.40 0.09 0.00 0.00 178.44 179.43 3hph h ILE 168 N 0.00 0.74 -0.02 1.22 2.04 -1.38 -0.02 117.51 120.09 3hph h ILE 168 Ca -0.05 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3hph h ILE 168 Cb 1.34 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 3hph h ILE 168 CO 0.04 0.04 0.04 1.55 0.00 0.00 0.00 178.15 179.82 3hph h PRO 169 N 0.21 0.00 0.00 2.37 0.13 -1.79 -2.73 132.00 130.19 3hph h PRO 169 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 3hph h PRO 169 Cb 0.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.43 3hph h PRO 169 CO -0.31 0.00 -0.32 0.52 -0.23 0.00 0.00 178.00 177.67 3hph h MET 170 N 0.00 0.00 -6.04 0.86 2.86 -1.21 -3.47 114.93 107.93 3hph h MET 170 Ca 0.01 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.10 3hph h MET 170 Cb 0.09 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 31.58 3hph h MET 170 CO -0.00 0.00 -0.78 -0.06 1.06 0.00 0.00 176.91 177.13 3hph s PHE 171 N -3.15 1.93 -0.15 -0.22 0.08 -1.03 -5.06 117.98 110.38 3hph s PHE 171 Ca 0.08 -0.45 -0.26 0.00 0.12 0.00 0.00 56.93 56.42 3hph s PHE 171 Cb 0.12 -0.94 -0.24 0.00 -0.57 0.00 0.00 43.02 41.38 3hph s PHE 171 CO 0.66 0.40 0.62 -0.97 -0.10 0.00 0.00 175.22 175.83 3hph h ASN 172 N 3.09 0.03 -3.16 1.36 -0.00 -1.91 -3.46 115.58 111.52 3hph h ASN 172 Ca -0.42 -0.86 -0.58 0.00 -0.00 0.00 0.00 56.30 54.43 3hph h ASN 172 Cb 1.21 -0.01 -0.04 0.00 -0.00 0.00 0.00 38.32 39.48 3hph h ASN 172 CO 0.52 1.16 -0.23 0.00 -0.00 0.00 0.00 177.43 178.88 3hph s ALA 173 N -2.27 3.71 0.20 1.57 0.00 -1.26 -4.99 121.76 118.72 3hph s ALA 173 Ca -0.21 -0.37 -0.11 0.00 0.00 0.00 0.00 51.96 51.26 3hph s ALA 173 Cb -0.00 -2.29 0.16 0.00 0.00 0.00 0.00 23.12 20.99 3hph s ALA 173 CO 0.67 0.56 1.85 0.35 0.00 0.00 0.00 175.76 179.19 3hph h PHE 174 N 3.48 0.78 -0.41 0.00 3.57 -1.96 -2.10 116.94 120.30 3hph h PHE 174 Ca -0.48 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.11 3hph h PHE 174 Cb 1.19 -0.26 -0.07 0.00 2.79 0.00 0.00 35.95 39.60 3hph h PHE 174 CO 0.65 0.46 -0.02 0.93 -2.23 0.00 0.00 178.31 178.10 3hph h GLU 175 N 0.83 0.09 -0.37 1.11 3.07 -1.99 0.15 114.58 117.47 3hph h GLU 175 Ca 0.26 -0.01 0.06 0.00 -0.50 0.00 0.00 59.36 59.17 3hph h GLU 175 Cb -0.01 -0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 27.83 3hph h GLU 175 CO -0.09 0.06 0.06 0.77 -1.40 0.00 0.00 179.01 178.41 3hph h SER 176 N 0.09 -0.01 -0.49 1.42 0.02 -1.92 0.70 113.55 113.35 3hph h SER 176 Ca 0.20 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.23 3hph h SER 176 Cb 0.29 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 3hph h SER 176 CO -0.35 0.03 0.31 0.00 -1.14 0.00 0.00 176.83 175.68 3hph h ALA 177 N 1.28 0.63 -0.43 3.77 0.00 -0.56 0.24 119.26 124.19 3hph h ALA 177 Ca 0.18 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3hph h ALA 177 Cb 0.21 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3hph h ALA 177 CO -0.24 0.03 0.25 1.25 0.00 0.00 0.00 179.25 180.53 3hph h LEU 178 N 0.62 0.39 0.04 0.00 5.85 -0.51 -0.36 115.31 121.33 3hph h LEU 178 Ca 0.19 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.94 3hph h LEU 178 Cb -0.02 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3hph h LEU 178 CO -0.07 0.28 -0.18 0.00 -0.34 0.00 0.00 178.44 178.13 3hph h ALA 179 N 1.20 -0.25 -0.97 1.25 0.00 -0.20 -1.54 119.26 118.74 3hph h ALA 179 Ca 0.17 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.29 3hph h ALA 179 Cb 0.03 0.30 -0.12 0.00 0.00 0.00 0.00 17.79 18.01 3hph h ALA 179 CO -0.09 -0.69 0.55 0.78 0.00 0.00 0.00 179.25 179.81 3hph h GLY 180 N -0.31 1.77 0.99 0.00 0.00 0.14 0.24 103.07 105.89 3hph h GLY 180 Ca 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3hph h GLY 180 CO -0.14 -0.18 0.16 -0.84 0.00 0.00 0.00 176.54 175.54 3hph h THR 181 N 0.61 1.08 -0.98 4.70 2.02 -0.07 -0.53 112.91 119.75 3hph h THR 181 Ca 0.60 -0.18 0.03 0.00 0.77 0.00 0.00 66.41 67.63 3hph h THR 181 Cb 1.05 0.73 -0.06 0.00 -1.74 0.00 0.00 68.15 68.14 3hph h THR 181 CO -0.45 0.08 0.64 -0.07 0.37 0.00 0.00 175.52 176.09 3hph h LEU 182 N 0.34 1.08 0.24 2.58 3.38 -0.59 0.14 115.31 122.47 3hph h LEU 182 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3hph h LEU 182 Cb -0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3hph h LEU 182 CO -0.02 0.74 -0.23 0.40 0.09 0.00 0.00 178.44 179.42 3hph h ILE 183 N 1.25 0.50 -0.08 1.22 2.04 -0.14 -0.27 117.51 122.03 3hph h ILE 183 Ca 0.38 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.28 3hph h ILE 183 Cb -0.02 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 36.50 3hph h ILE 183 CO -0.11 0.00 -0.41 0.74 0.00 0.00 0.00 178.15 178.37 3hph h THR 184 N -0.50 0.17 -0.03 -0.27 2.02 -0.53 -1.59 112.91 112.19 3hph h THR 184 Ca -0.00 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 66.99 3hph h THR 184 Cb 0.46 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 3hph h THR 184 CO -0.05 0.00 -0.80 -0.07 0.37 0.00 0.00 175.52 174.97 3hph h LEU 185 N -0.51 0.33 0.00 2.58 3.38 -0.61 -1.22 115.31 119.25 3hph h LEU 185 Ca 0.07 -0.24 -0.30 0.00 0.09 0.00 0.00 57.88 57.50 3hph h LEU 185 Cb 0.63 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 3hph h LEU 185 CO -0.36 1.00 -1.94 0.59 0.09 0.00 0.00 178.44 177.81 3hph n ASN 186 N -3.75 0.51 -0.01 -0.43 3.02 -0.12 -4.36 115.26 110.12 3hph n ASN 186 Ca -0.04 0.24 -0.02 0.00 -0.03 0.00 0.00 54.58 54.74 3hph n ASN 186 Cb 0.75 0.43 -0.01 0.00 -0.61 0.00 0.00 39.78 40.35 3hph n ASN 186 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3hph n ILE 187 N -2.89 0.09 0.08 2.41 5.41 -0.64 -0.87 119.36 122.95 3hph n ILE 187 Ca -0.22 -0.02 -0.16 0.00 1.00 0.00 0.00 62.75 63.35 3hph n ILE 187 Cb 1.05 -1.44 -0.14 0.00 -0.71 0.00 0.00 39.64 38.40 3hph n ILE 187 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 3hph h LYS 188 N -0.06 0.24 -6.57 0.38 1.79 -1.36 -3.45 116.57 107.53 3hph h LYS 188 Ca -0.04 -0.41 -0.53 0.00 -2.18 0.00 0.00 60.65 57.50 3hph h LYS 188 Cb 1.04 0.15 0.04 0.00 -1.58 0.00 0.00 32.23 31.88 3hph h LYS 188 CO -0.02 1.13 0.88 0.50 -1.08 0.00 0.00 179.45 180.86 3hph s ARG 189 N -2.64 4.22 -0.12 3.15 3.52 -0.47 -4.90 118.95 121.71 3hph s ARG 189 Ca -0.06 2.32 0.00 0.00 -0.13 0.00 0.00 55.73 57.86 3hph s ARG 189 Cb 0.07 -3.24 0.02 0.00 -1.56 0.00 0.00 34.95 30.24 3hph s ARG 189 CO 0.86 -0.61 -0.12 0.15 -0.81 0.00 0.00 175.30 174.77 3hph s LYS 190 N 1.39 2.01 0.00 5.12 -0.14 -1.26 -3.96 119.74 122.90 3hph s LYS 190 Ca 0.70 -0.46 0.00 0.00 -1.36 0.00 0.00 55.97 54.85 3hph s LYS 190 Cb -0.42 -1.86 0.00 0.00 -1.68 0.00 0.00 37.83 33.86 3hph s LYS 190 CO 0.31 -0.19 0.00 0.41 -0.76 0.00 0.00 175.35 175.12 3hph n GLY 191 N 4.65 1.80 4.36 -3.33 0.00 -0.69 -4.03 105.19 107.95 3hph n GLY 191 Ca -0.16 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 43.93 3hph n GLY 191 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hph n GLY 192 N 5.00 1.12 0.05 -0.02 0.00 -1.26 -2.74 105.19 107.33 3hph n GLY 192 Ca 0.00 0.38 0.11 0.00 0.00 0.00 0.00 46.02 46.52 3hph n GLY 192 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hph n LEU 193 N 0.00 0.34 -4.12 0.99 4.77 -1.26 -4.78 117.00 112.94 3hph n LEU 193 Ca 0.00 0.10 -0.20 0.00 -0.03 0.00 0.00 56.01 55.88 3hph n LEU 193 Cb 0.00 -0.03 -0.14 0.00 -2.33 0.00 0.00 43.42 40.93 3hph n LEU 193 CO 0.00 -0.06 -0.46 -0.83 -1.33 0.00 0.00 177.39 174.71 3hph s GLY 194 N -4.39 0.73 0.01 -0.72 0.00 -1.25 -5.11 107.32 96.60 3hph s GLY 194 Ca -0.04 -0.73 0.08 0.00 0.00 0.00 0.00 44.72 44.02 3hph s GLY 194 CO 0.86 -0.69 -0.23 -0.51 0.00 0.00 0.00 173.10 172.53 3hph s THR 195 N -0.68 1.86 0.64 0.90 -4.23 -1.11 -4.78 115.64 108.23 3hph s THR 195 Ca 0.02 -1.13 -0.08 0.00 -1.18 0.00 0.00 61.69 59.33 3hph s THR 195 Cb -0.07 -1.57 0.02 0.00 1.34 0.00 0.00 72.50 72.22 3hph s THR 195 CO 0.01 0.40 0.97 -0.94 -0.54 0.00 0.00 174.62 174.52 3hph s SER 196 N -0.86 5.47 0.17 3.99 1.04 -1.25 -1.70 113.70 120.55 3hph s SER 196 Ca 0.09 0.81 -0.17 0.00 0.48 0.00 0.00 55.95 57.16 3hph s SER 196 Cb -0.09 -1.71 0.11 0.00 0.10 0.00 0.00 66.02 64.43 3hph s SER 196 CO 0.00 -1.20 1.66 -0.65 0.98 0.00 0.00 173.24 174.04 3hph h PRO 197 N -0.36 -0.00 -0.84 4.02 0.11 -1.75 -2.31 132.00 130.87 3hph h PRO 197 Ca -0.45 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.77 3hph h PRO 197 Cb 1.26 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.29 3hph h PRO 197 CO 0.62 -0.00 0.47 1.98 -0.21 0.00 0.00 178.00 180.85 3hph h MET 198 N -0.00 0.73 -0.68 1.05 4.05 -1.32 -0.09 114.93 118.67 3hph h MET 198 Ca 0.20 -0.04 0.14 0.00 -0.28 0.00 0.00 59.70 59.72 3hph h MET 198 Cb 0.31 -0.16 -0.11 0.00 -0.80 0.00 0.00 31.60 30.84 3hph h MET 198 CO -0.43 0.48 0.08 -0.44 0.23 0.00 0.00 176.91 176.83 3hph h ASP 199 N 0.75 -0.15 -0.04 1.39 3.32 -1.69 -0.27 116.42 119.74 3hph h ASP 199 Ca 0.42 0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.57 3hph h ASP 199 Cb 0.46 0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.25 3hph h ASP 199 CO -0.28 -0.08 -0.20 0.40 -1.72 0.00 0.00 179.24 177.35 3hph h ILE 200 N 0.18 1.47 -0.76 0.35 2.04 -0.56 0.95 117.51 121.19 3hph h ILE 200 Ca 0.37 -1.69 0.17 0.00 1.00 0.00 0.00 64.86 64.71 3hph h ILE 200 Cb 0.61 2.46 -0.11 0.00 -0.74 0.00 0.00 36.82 39.04 3hph h ILE 200 CO -0.53 0.47 0.19 0.15 0.00 0.00 0.00 178.15 178.44 3hph h PHE 201 N -0.36 0.30 -0.11 1.37 3.57 -1.03 0.11 116.94 120.79 3hph h PHE 201 Ca -0.01 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 3hph h PHE 201 Cb 0.86 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.59 3hph h PHE 201 CO 0.14 -0.09 -0.09 0.82 -2.23 0.00 0.00 178.31 176.86 3hph h ILE 202 N 0.27 1.35 -0.71 1.41 1.08 -0.86 -2.31 117.51 117.75 3hph h ILE 202 Ca 0.44 -1.21 0.08 0.00 -0.39 0.00 0.00 64.86 63.78 3hph h ILE 202 Cb 0.76 1.91 -0.07 0.00 -3.07 0.00 0.00 36.82 36.36 3hph h ILE 202 CO -0.53 0.34 0.37 0.15 -0.69 0.00 0.00 178.15 177.80 3hph h PHE 203 N -0.14 0.67 -0.42 1.37 3.57 -0.22 -1.10 116.94 120.67 3hph h PHE 203 Ca 0.02 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 3hph h PHE 203 Cb 0.59 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 3hph h PHE 203 CO 0.08 0.27 0.10 -0.91 -2.23 0.00 0.00 178.31 175.62 3hph h ASN 204 N 0.64 0.64 0.01 0.41 2.35 -0.69 -0.58 115.58 118.37 3hph h ASN 204 Ca 0.34 -0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.87 3hph h ASN 204 Cb 0.31 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 3hph h ASN 204 CO -0.24 0.71 -0.15 0.11 -1.65 0.00 0.00 177.43 176.21 3hph h LYS 205 N 0.55 -0.25 -0.71 0.81 1.79 -1.06 -1.37 116.57 116.32 3hph h LYS 205 Ca 0.13 0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.55 3hph h LYS 205 Cb 0.32 0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 31.00 3hph h LYS 205 CO 0.00 -0.17 0.19 1.49 -1.08 0.00 0.00 179.45 179.88 3hph h GLU 206 N -0.26 1.12 -0.76 3.15 4.57 -1.01 -1.27 114.58 120.11 3hph h GLU 206 Ca 0.05 -0.26 -0.03 0.00 -1.18 0.00 0.00 59.36 57.94 3hph h GLU 206 Cb 0.32 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 3hph h GLU 206 CO -0.14 0.98 0.37 1.96 -1.18 0.00 0.00 179.01 180.99 3hph h GLN 207 N 1.07 1.10 -0.55 1.92 1.08 -1.00 -2.29 115.11 116.44 3hph h GLN 207 Ca 0.22 -0.16 0.03 0.00 -1.45 0.00 0.00 58.65 57.29 3hph h GLN 207 Cb 0.35 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.55 3hph h GLN 207 CO -0.00 0.86 0.33 0.37 -0.95 0.00 0.00 178.83 179.44 3hph h GLN 208 N 1.08 0.63 -0.47 1.46 4.15 -0.74 -2.70 115.11 118.53 3hph h GLN 208 Ca 0.26 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.58 3hph h GLN 208 Cb 0.12 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 3hph h GLN 208 CO -0.03 0.42 0.03 -0.09 -1.93 0.00 0.00 178.83 177.22 3hph h ARG 209 N 0.65 0.75 0.00 1.69 2.43 -1.00 -1.97 114.38 116.93 3hph h ARG 209 Ca 0.22 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3hph h ARG 209 Cb 0.02 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3hph h ARG 209 CO -0.10 0.74 0.00 -0.89 -1.51 0.00 0.00 179.97 178.21 3hph n ILE 210 N -4.24 1.09 -0.05 1.20 5.41 -0.88 -2.79 119.36 119.10 3hph n ILE 210 Ca 0.03 0.27 -0.02 0.00 1.00 0.00 0.00 62.75 64.03 3hph n ILE 210 Cb 0.27 -1.11 -0.11 0.00 -0.71 0.00 0.00 39.64 37.98 3hph n ILE 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hph n GLN 211 N -1.40 1.33 0.27 0.38 6.02 -0.75 -3.80 117.38 119.42 3hph n GLN 211 Ca 0.03 -0.05 0.18 0.00 -0.01 0.00 0.00 57.00 57.15 3hph n GLN 211 Cb 0.09 -1.35 0.77 0.00 1.02 0.00 0.00 30.24 30.78 3hph n GLN 211 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 3hph h GLN 212 N 0.00 0.00 -0.01 -1.09 4.20 -1.39 -3.09 115.11 113.73 3hph h GLN 212 Ca -0.24 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.39 3hph h GLN 212 Cb 1.42 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.21 3hph h GLN 212 CO 0.01 0.00 -0.31 -0.56 -0.67 0.00 0.00 178.83 177.30 3hph h GLN 213 N 0.00 0.22 -0.01 1.46 3.07 -1.70 -3.52 115.11 114.63 3hph h GLN 213 Ca 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 58.65 58.51 3hph h GLN 213 Cb 0.38 0.06 0.00 0.00 0.08 0.00 0.00 27.48 28.00 3hph h GLN 213 CO 0.00 0.95 0.00 -1.13 0.09 0.00 0.00 178.83 178.74