#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pdh s LYS 2 N 0.00 0.43 0.35 3.17 2.20 -1.26 -1.42 119.74 123.21 1pdh s LYS 2 Ca 0.00 -0.78 -0.07 0.00 -0.36 0.00 0.00 55.97 54.76 1pdh s LYS 2 Cb 0.00 0.16 0.02 0.00 -1.51 0.00 0.00 37.83 36.49 1pdh s LYS 2 CO 0.00 -0.08 0.58 -0.08 -0.36 0.00 0.00 175.35 175.41 1pdh s THR 3 N -2.24 0.00 -0.17 3.43 -1.32 -0.36 -4.93 115.64 110.04 1pdh s THR 3 Ca -0.09 -1.40 -0.14 0.00 -1.21 0.00 0.00 61.69 58.86 1pdh s THR 3 Cb -0.04 -2.69 -0.09 0.00 -1.51 0.00 0.00 72.50 68.17 1pdh s THR 3 CO -0.04 0.00 -0.07 0.00 -2.21 0.00 0.00 174.62 172.30 1pdh n GLN 4 N -0.55 0.50 -4.18 7.08 6.02 -1.13 -3.96 117.38 121.16 1pdh n GLN 4 Ca -0.02 0.52 -0.33 0.00 -0.01 0.00 0.00 57.00 57.15 1pdh n GLN 4 Cb 0.61 -1.69 -0.15 0.00 1.02 0.00 0.00 30.24 30.03 1pdh n GLN 4 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1pdh s VAL 5 N -2.33 2.48 -0.16 5.09 1.01 -0.63 -1.00 120.40 124.87 1pdh s VAL 5 Ca -0.21 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 60.80 1pdh s VAL 5 Cb 0.04 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1pdh s VAL 5 CO 0.36 0.51 0.40 0.00 0.00 0.00 0.00 175.10 176.37 1pdh s ALA 6 N 1.22 3.54 -0.20 5.51 0.00 -0.35 -1.99 121.76 129.49 1pdh s ALA 6 Ca 0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 1pdh s ALA 6 Cb -0.14 -2.57 0.01 0.00 0.00 0.00 0.00 23.12 20.42 1pdh s ALA 6 CO -0.08 -0.08 -0.13 0.42 0.00 0.00 0.00 175.76 175.90 1pdh s ILE 7 N 0.82 2.69 -0.35 0.00 1.01 0.46 -0.52 121.20 125.30 1pdh s ILE 7 Ca 0.21 -0.73 -0.17 0.00 0.00 0.00 0.00 60.65 59.96 1pdh s ILE 7 Cb -0.14 -2.18 -0.00 0.00 0.01 0.00 0.00 42.46 40.14 1pdh s ILE 7 CO 0.07 0.49 0.43 -0.63 0.00 0.00 0.00 174.94 175.30 1pdh s ILE 8 N 1.33 5.10 0.00 2.92 -1.09 -0.55 -0.65 121.20 128.26 1pdh s ILE 8 Ca 0.04 0.12 0.00 0.00 -2.23 0.00 0.00 60.65 58.58 1pdh s ILE 8 Cb -0.14 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 36.84 1pdh s ILE 8 CO -0.08 -0.18 0.00 0.61 -1.23 0.00 0.00 174.94 174.06 1pdh n GLY 9 N 4.91 2.72 2.20 6.18 0.00 0.15 -0.91 105.19 120.44 1pdh n GLY 9 Ca -0.07 -1.37 -0.28 0.00 0.00 0.00 0.00 46.02 44.30 1pdh n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pdh n ALA 10 N 1.64 5.43 -2.03 4.61 0.00 -1.26 -4.02 120.51 124.88 1pdh n ALA 10 Ca 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 53.44 49.64 1pdh n ALA 10 Cb 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1pdh n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pdh n GLY 11 N -0.72 0.77 0.36 0.00 0.00 -1.26 -4.77 105.19 99.57 1pdh n GLY 11 Ca 0.49 -1.93 0.06 0.00 0.00 0.00 0.00 46.02 44.64 1pdh n GLY 11 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pdh h PRO 12 N 0.00 0.89 0.78 1.61 0.13 -1.94 -2.43 132.00 131.05 1pdh h PRO 12 Ca 0.00 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 1pdh h PRO 12 Cb 0.00 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 30.93 1pdh h PRO 12 CO 0.00 0.59 -0.47 0.77 -0.23 0.00 0.00 178.00 178.67 1pdh h SER 13 N 0.92 -1.17 -0.63 1.44 0.02 -1.92 -0.18 113.55 112.03 1pdh h SER 13 Ca 0.40 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.38 1pdh h SER 13 Cb 0.32 0.34 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 1pdh h SER 13 CO -0.16 -0.73 0.28 1.23 -1.14 0.00 0.00 176.83 176.31 1pdh h GLY 14 N -1.17 1.00 0.97 -3.77 0.00 -1.68 -1.17 103.07 97.27 1pdh h GLY 14 Ca -0.10 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.67 1pdh h GLY 14 CO 0.11 0.50 0.18 1.41 0.00 0.00 0.00 176.54 178.74 1pdh h LEU 15 N 0.88 0.71 -0.24 3.11 3.38 -1.44 0.12 115.31 121.84 1pdh h LEU 15 Ca 0.21 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1pdh h LEU 15 Cb 0.17 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1pdh h LEU 15 CO -0.02 0.71 0.05 0.25 0.09 0.00 0.00 178.44 179.51 1pdh h LEU 16 N 0.68 0.37 -0.69 1.67 5.85 -0.89 -1.11 115.31 121.19 1pdh h LEU 16 Ca 0.16 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 1pdh h LEU 16 Cb 0.23 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1pdh h LEU 16 CO -0.01 0.52 0.37 0.25 -0.34 0.00 0.00 178.44 179.23 1pdh h LEU 17 N 0.20 0.87 -1.15 2.25 5.85 -1.10 -2.19 115.31 120.05 1pdh h LEU 17 Ca 0.07 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 1pdh h LEU 17 Cb 0.30 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1pdh h LEU 17 CO 0.00 0.73 -0.11 1.23 -0.34 0.00 0.00 178.44 179.95 1pdh h GLY 18 N 0.95 0.51 0.89 3.75 0.00 -0.53 -1.66 103.07 106.98 1pdh h GLY 18 Ca 0.24 -0.34 -0.15 0.00 0.00 0.00 0.00 47.33 47.08 1pdh h GLY 18 CO -0.04 0.31 -0.52 -1.61 0.00 0.00 0.00 176.54 174.69 1pdh h GLN 19 N 0.44 0.54 -0.41 4.80 5.75 -0.89 -1.26 115.11 124.07 1pdh h GLN 19 Ca 0.08 -0.44 -0.01 0.00 -0.15 0.00 0.00 58.65 58.14 1pdh h GLN 19 Cb 0.46 0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.08 1pdh h GLN 19 CO 0.03 1.06 0.21 -0.07 -2.65 0.00 0.00 178.83 177.41 1pdh h LEU 20 N 0.14 0.53 -0.54 -2.39 3.38 -1.32 -0.99 115.31 114.12 1pdh h LEU 20 Ca -0.03 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1pdh h LEU 20 Cb 1.16 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1pdh h LEU 20 CO 0.11 0.49 0.03 -0.07 0.09 0.00 0.00 178.44 179.08 1pdh h LEU 21 N 0.53 0.92 0.16 1.67 3.38 -1.33 -2.10 115.31 118.53 1pdh h LEU 21 Ca 0.14 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1pdh h LEU 21 Cb 0.09 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1pdh h LEU 21 CO -0.02 0.98 -0.14 -0.74 0.09 0.00 0.00 178.44 178.61 1pdh h HIS 22 N 0.82 -0.36 -0.11 1.13 2.76 -0.98 0.13 115.15 118.54 1pdh h HIS 22 Ca 0.16 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.36 1pdh h HIS 22 Cb 0.50 0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.59 1pdh h HIS 22 CO 0.04 -0.22 0.10 0.87 -1.30 0.00 0.00 177.93 177.42 1pdh h LYS 23 N -0.32 0.00 -0.07 5.26 1.57 -1.06 0.14 116.57 122.10 1pdh h LYS 23 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pdh h LYS 23 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1pdh h LYS 23 CO -0.02 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.86 1pdh n ALA 24 N -2.42 2.56 -0.85 3.86 0.00 -0.80 -4.92 120.51 117.95 1pdh n ALA 24 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1pdh n ALA 24 Cb 0.21 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1pdh n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pdh n GLY 25 N 1.13 0.54 3.50 0.00 0.00 0.50 -5.03 105.19 105.83 1pdh n GLY 25 Ca 0.18 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1pdh n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pdh s ILE 26 N -2.00 5.21 0.35 -0.61 1.01 0.39 -5.00 121.20 120.55 1pdh s ILE 26 Ca 0.00 -0.37 -0.28 0.00 0.00 0.00 0.00 60.65 60.00 1pdh s ILE 26 Cb 0.00 -3.75 -0.10 0.00 0.01 0.00 0.00 42.46 38.63 1pdh s ILE 26 CO 0.00 -0.10 1.30 -1.81 0.00 0.00 0.00 174.94 174.34 1pdh s ASP 27 N 1.70 6.66 -0.04 3.58 1.01 -1.26 -3.59 116.67 124.73 1pdh s ASP 27 Ca 0.06 2.67 -0.14 0.00 0.71 0.00 0.00 52.55 55.85 1pdh s ASP 27 Cb -0.18 -2.65 0.02 0.00 1.01 0.00 0.00 42.92 41.13 1pdh s ASP 27 CO 0.10 -0.61 0.31 0.54 0.21 0.00 0.00 175.17 175.72 1pdh s ASN 28 N -0.56 -0.22 -0.05 0.27 2.20 -1.26 -1.60 114.94 113.71 1pdh s ASN 28 Ca 0.51 0.19 0.05 0.00 -0.94 0.00 0.00 52.86 52.68 1pdh s ASN 28 Cb -0.39 0.38 -0.01 0.00 -2.00 0.00 0.00 41.25 39.23 1pdh s ASN 28 CO 0.52 -0.38 -0.22 -0.69 -2.94 0.00 0.00 177.10 173.38 1pdh s VAL 29 N -1.04 1.83 -0.15 3.54 1.01 -0.84 -4.14 120.40 120.61 1pdh s VAL 29 Ca -0.11 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 60.89 1pdh s VAL 29 Cb -0.05 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 1pdh s VAL 29 CO 0.03 0.51 -0.02 -0.63 0.00 0.00 0.00 175.10 175.00 1pdh s ILE 30 N -0.08 4.04 -0.20 2.22 1.01 -0.69 -0.41 121.20 127.10 1pdh s ILE 30 Ca -0.04 -0.31 -0.03 0.00 0.00 0.00 0.00 60.65 60.27 1pdh s ILE 30 Cb -0.13 -2.77 -0.01 0.00 0.01 0.00 0.00 42.46 39.56 1pdh s ILE 30 CO 0.03 0.50 -0.06 -0.76 0.00 0.00 0.00 174.94 174.65 1pdh s LEU 31 N 0.21 2.84 -0.07 2.97 1.43 0.17 -0.30 118.68 125.94 1pdh s LEU 31 Ca -0.01 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.74 1pdh s LEU 31 Cb -0.14 -1.71 0.01 0.00 0.03 0.00 0.00 46.19 44.38 1pdh s LEU 31 CO 0.02 0.02 -0.17 -0.70 0.23 0.00 0.00 176.35 175.76 1pdh s GLU 32 N 1.23 2.13 0.21 1.70 2.56 0.00 0.29 118.70 126.83 1pdh s GLU 32 Ca 0.03 -0.59 -0.08 0.00 0.00 0.00 0.00 54.97 54.32 1pdh s GLU 32 Cb -0.14 -1.71 0.14 0.00 2.00 0.00 0.00 34.13 34.42 1pdh s GLU 32 CO -0.02 0.11 1.76 -0.09 -0.56 0.00 0.00 175.26 176.46 1pdh h ARG 33 N 6.76 1.17 0.00 4.30 2.43 -1.86 0.23 114.38 127.41 1pdh h ARG 33 Ca -0.28 -0.23 -0.16 0.00 -0.81 0.00 0.00 59.98 58.50 1pdh h ARG 33 Cb 1.20 -0.18 0.03 0.00 -0.42 0.00 0.00 29.97 30.60 1pdh h ARG 33 CO 0.47 0.97 0.05 1.04 -1.51 0.00 0.00 179.97 180.99 1pdh n GLN 34 N -4.27 0.31 -3.61 0.20 1.13 -1.26 -3.52 117.38 106.36 1pdh n GLN 34 Ca 0.07 -0.94 -0.21 0.00 -1.94 0.00 0.00 57.00 53.97 1pdh n GLN 34 Cb 0.21 -0.25 -0.01 0.00 0.11 0.00 0.00 30.24 30.29 1pdh n GLN 34 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1pdh s THR 35 N -1.01 4.74 0.25 5.09 -4.23 -1.26 -1.82 115.64 117.41 1pdh s THR 35 Ca 0.24 -0.84 -0.03 0.00 -1.18 0.00 0.00 61.69 59.88 1pdh s THR 35 Cb -0.01 -3.68 0.23 0.00 1.34 0.00 0.00 72.50 70.37 1pdh s THR 35 CO 0.16 -0.32 1.81 -0.65 -0.54 0.00 0.00 174.62 175.08 1pdh h PRO 36 N 0.93 0.78 -0.70 3.99 0.11 -1.99 -2.05 132.00 133.07 1pdh h PRO 36 Ca -0.49 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 1pdh h PRO 36 Cb 1.24 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1pdh h PRO 36 CO 0.58 0.52 0.36 -0.44 -0.21 0.00 0.00 178.00 178.81 1pdh h ASP 37 N 0.80 0.90 -0.56 -2.05 3.32 -1.98 -1.73 116.42 115.13 1pdh h ASP 37 Ca 0.43 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.32 1pdh h ASP 37 Cb 0.43 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1pdh h ASP 37 CO -0.27 0.76 0.20 0.22 -1.72 0.00 0.00 179.24 178.44 1pdh h TYR 38 N 0.98 0.87 -0.60 4.55 5.03 -1.78 -2.27 116.97 123.74 1pdh h TYR 38 Ca 0.24 -0.08 -0.02 0.00 2.58 0.00 0.00 58.73 61.46 1pdh h TYR 38 Cb 0.08 -0.26 -0.03 0.00 1.55 0.00 0.00 36.73 38.08 1pdh h TYR 38 CO 0.00 0.72 0.29 0.28 -1.32 0.00 0.00 178.16 178.13 1pdh h VAL 39 N 0.77 1.21 0.00 1.81 2.07 -1.15 -2.40 116.25 118.57 1pdh h VAL 39 Ca 0.18 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1pdh h VAL 39 Cb 0.23 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1pdh h VAL 39 CO -0.01 0.24 0.00 0.18 0.02 0.00 0.00 177.57 178.00 1pdh n LEU 40 N -4.52 0.00 0.16 2.57 4.32 -0.68 -2.55 117.00 116.30 1pdh n LEU 40 Ca 0.04 0.46 0.12 0.00 -0.02 0.00 0.00 56.01 56.61 1pdh n LEU 40 Cb 0.12 -0.46 0.26 0.00 -1.62 0.00 0.00 43.42 41.73 1pdh n LEU 40 CO 0.38 -0.18 0.80 1.23 -1.22 0.00 0.00 177.39 178.39 1pdh h GLY 41 N 3.04 0.00 -4.48 -0.72 0.00 -0.87 -3.45 103.07 96.58 1pdh h GLY 41 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 1pdh h GLY 41 CO 0.00 0.00 0.54 0.50 0.00 0.00 0.00 176.54 177.58 1pdh s ARG 42 N -3.17 4.44 -0.05 4.80 0.52 -1.06 -4.98 118.95 119.45 1pdh s ARG 42 Ca 0.08 1.74 -0.02 0.00 -0.52 0.00 0.00 55.73 57.01 1pdh s ARG 42 Cb 0.09 -3.36 -0.01 0.00 0.52 0.00 0.00 34.95 32.19 1pdh s ARG 42 CO 0.65 -0.24 -0.04 0.82 0.02 0.00 0.00 175.30 176.50 1pdh h ILE 43 N 4.54 0.00 0.00 1.52 1.08 -1.90 -3.39 117.51 119.36 1pdh h ILE 43 Ca -0.41 -0.42 0.00 0.00 -0.39 0.00 0.00 64.86 63.63 1pdh h ILE 43 Cb 1.21 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 1pdh h ILE 43 CO 0.81 0.00 0.00 0.54 -0.69 0.00 0.00 178.15 178.81 1pdh n ARG 44 N -3.22 0.00 -0.83 2.37 1.74 -1.26 -3.96 116.66 111.50 1pdh n ARG 44 Ca -0.02 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.75 1pdh n ARG 44 Cb 0.06 0.00 0.15 0.00 -1.02 0.00 0.00 32.46 31.65 1pdh n ARG 44 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pdh s ALA 45 N -1.73 1.57 0.00 7.54 0.00 -1.26 -4.85 121.76 123.03 1pdh s ALA 45 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.44 1pdh s ALA 45 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1pdh s ALA 45 CO 0.00 -2.57 0.00 0.41 0.00 0.00 0.00 175.76 173.60 1pdh n GLY 46 N -0.12 1.00 3.22 0.00 0.00 -1.26 -1.06 105.19 106.97 1pdh n GLY 46 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1pdh n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pdh s VAL 47 N 0.00 2.48 -0.10 1.61 1.01 -1.26 -1.52 120.40 122.61 1pdh s VAL 47 Ca 0.00 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.16 1pdh s VAL 47 Cb 0.00 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1pdh s VAL 47 CO 0.00 0.52 -0.08 -0.76 0.00 0.00 0.00 175.10 174.77 1pdh s LEU 48 N 1.00 3.03 0.67 3.92 1.43 0.90 -4.79 118.68 124.84 1pdh s LEU 48 Ca -0.02 -0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 52.83 1pdh s LEU 48 Cb -0.15 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 1pdh s LEU 48 CO -0.04 0.26 1.05 -1.61 0.23 0.00 0.00 176.35 176.25 1pdh s GLU 49 N -0.22 3.18 0.36 1.70 2.02 -1.26 -0.89 118.70 123.59 1pdh s GLU 49 Ca 0.02 0.78 0.03 0.00 0.02 0.00 0.00 54.97 55.82 1pdh s GLU 49 Cb -0.13 -2.03 0.66 0.00 0.10 0.00 0.00 34.13 32.73 1pdh s GLU 49 CO 0.03 -0.88 2.00 0.37 0.02 0.00 0.00 175.26 176.80 1pdh h GLN 50 N -0.55 0.76 -0.90 1.61 5.75 -1.75 -1.95 115.11 118.08 1pdh h GLN 50 Ca -0.44 -0.06 0.05 0.00 -0.15 0.00 0.00 58.65 58.05 1pdh h GLN 50 Cb 1.21 -0.17 -0.06 0.00 1.07 0.00 0.00 27.48 29.53 1pdh h GLN 50 CO 0.60 0.53 0.57 0.78 -2.65 0.00 0.00 178.83 178.67 1pdh h GLY 51 N 0.81 1.35 1.05 2.39 0.00 -1.93 0.76 103.07 107.51 1pdh h GLY 51 Ca 0.21 -0.42 -0.16 0.00 0.00 0.00 0.00 47.33 46.95 1pdh h GLY 51 CO -0.04 0.31 -0.49 1.98 0.00 0.00 0.00 176.54 178.30 1pdh h MET 52 N 1.07 0.76 -0.43 4.80 1.85 -1.76 -1.60 114.93 119.62 1pdh h MET 52 Ca 0.38 -0.49 0.06 0.00 -0.61 0.00 0.00 59.70 59.04 1pdh h MET 52 Cb 0.12 0.06 -0.05 0.00 0.43 0.00 0.00 31.60 32.16 1pdh h MET 52 CO -0.16 1.12 0.12 0.28 -0.40 0.00 0.00 176.91 177.87 1pdh h VAL 53 N 0.49 0.81 -0.33 -5.77 2.07 -0.75 0.04 116.25 112.82 1pdh h VAL 53 Ca 0.01 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 1pdh h VAL 53 Cb 1.10 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1pdh h VAL 53 CO 0.11 0.05 -0.08 0.44 0.02 0.00 0.00 177.57 178.11 1pdh h ASP 54 N 0.27 0.52 -0.22 0.57 3.32 -0.80 -1.72 116.42 118.36 1pdh h ASP 54 Ca 0.21 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 57.03 1pdh h ASP 54 Cb 0.23 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1pdh h ASP 54 CO -0.24 0.64 -0.21 0.25 -1.72 0.00 0.00 179.24 177.96 1pdh h LEU 55 N 0.51 0.67 -0.58 1.55 5.85 -0.38 -0.18 115.31 122.76 1pdh h LEU 55 Ca 0.10 -0.23 -0.12 0.00 0.84 0.00 0.00 57.88 58.47 1pdh h LEU 55 Cb 0.45 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1pdh h LEU 55 CO 0.02 0.88 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.76 1pdh h LEU 56 N 0.59 0.97 -0.64 2.25 3.38 -0.35 -0.34 115.31 121.18 1pdh h LEU 56 Ca 0.09 -0.34 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 1pdh h LEU 56 Cb 0.68 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1pdh h LEU 56 CO 0.05 1.12 0.15 -0.09 0.09 0.00 0.00 178.44 179.76 1pdh h ARG 57 N 0.84 1.03 -0.43 1.13 2.43 -1.04 -0.10 114.38 118.23 1pdh h ARG 57 Ca 0.12 -0.25 -0.07 0.00 -0.81 0.00 0.00 59.98 58.97 1pdh h ARG 57 Cb 0.73 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1pdh h ARG 57 CO 0.06 0.93 -0.02 1.49 -1.51 0.00 0.00 179.97 180.92 1pdh h GLU 58 N 0.95 0.72 0.00 0.20 4.81 -0.67 -0.84 114.58 119.75 1pdh h GLU 58 Ca 0.20 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1pdh h GLU 58 Cb 0.37 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1pdh h GLU 58 CO 0.00 0.75 0.00 0.00 -0.73 0.00 0.00 179.01 179.03 1pdh n ALA 59 N -2.48 2.34 -1.83 2.92 0.00 -0.17 -4.89 120.51 116.41 1pdh n ALA 59 Ca 0.02 -0.13 -0.06 0.00 0.00 0.00 0.00 53.44 53.27 1pdh n ALA 59 Cb 0.30 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.32 1pdh n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pdh n GLY 60 N 0.85 0.34 2.68 0.00 0.00 -0.32 -4.82 105.19 103.93 1pdh n GLY 60 Ca 0.14 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 1pdh n GLY 60 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pdh n VAL 61 N -3.65 2.06 -0.40 1.61 0.31 -0.11 -4.81 118.33 113.34 1pdh n VAL 61 Ca -0.07 -5.25 0.00 0.00 -0.01 0.00 0.00 64.34 59.01 1pdh n VAL 61 Cb 0.45 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 1pdh n VAL 61 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1pdh n ASP 62 N 0.00 0.79 0.34 4.52 5.75 -1.25 -4.67 116.55 122.02 1pdh n ASP 62 Ca 0.29 -1.19 -0.18 0.00 -0.01 0.00 0.00 54.79 53.71 1pdh n ASP 62 Cb 0.47 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.47 1pdh n ASP 62 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 1pdh h ARG 63 N 0.00 -0.88 -0.29 0.11 2.43 -1.95 0.28 114.38 114.07 1pdh h ARG 63 Ca 0.00 0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 1pdh h ARG 63 Cb 0.36 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 1pdh h ARG 63 CO 0.00 -0.59 -0.11 0.00 -1.51 0.00 0.00 179.97 177.76 1pdh h ARG 64 N -0.92 0.49 -0.10 0.20 3.08 -1.99 -1.62 114.38 113.53 1pdh h ARG 64 Ca -0.07 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 1pdh h ARG 64 Cb 0.75 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 1pdh h ARG 64 CO 0.07 0.60 0.03 1.98 -1.07 0.00 0.00 179.97 181.58 1pdh h MET 65 N 0.45 0.16 -0.18 0.04 4.05 -1.80 0.37 114.93 118.02 1pdh h MET 65 Ca 0.09 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 1pdh h MET 65 Cb 0.47 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.24 1pdh h MET 65 CO 0.03 0.33 0.12 0.00 0.23 0.00 0.00 176.91 177.62 1pdh h ALA 66 N 0.82 1.87 0.01 0.39 0.00 -0.27 0.67 119.26 122.74 1pdh h ALA 66 Ca 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1pdh h ALA 66 Cb 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1pdh h ALA 66 CO 0.00 0.12 -0.07 -0.09 0.00 0.00 0.00 179.25 179.22 1pdh h ARG 67 N 0.25 0.03 0.00 0.00 2.43 -0.85 -3.40 114.38 112.83 1pdh h ARG 67 Ca 0.07 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1pdh h ARG 67 Cb -0.03 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1pdh h ARG 67 CO -0.01 1.00 -1.77 -0.25 -1.51 0.00 0.00 179.97 177.43 1pdh n ASP 68 N -4.58 0.20 -4.75 -3.80 8.00 0.12 -4.97 116.55 106.78 1pdh n ASP 68 Ca -0.10 0.07 -0.37 0.00 0.71 0.00 0.00 54.79 55.10 1pdh n ASP 68 Cb 0.50 1.64 0.04 0.00 -0.02 0.00 0.00 41.12 43.28 1pdh n ASP 68 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1pdh s GLY 69 N -4.48 2.84 -0.20 0.44 0.00 0.23 -4.96 107.32 101.19 1pdh s GLY 69 Ca -0.06 1.20 -0.04 0.00 0.00 0.00 0.00 44.72 45.81 1pdh s GLY 69 CO 0.88 1.66 -0.02 1.08 0.00 0.00 0.00 173.10 176.71 1pdh s LEU 70 N -3.79 3.13 -0.19 0.66 1.43 -0.27 -4.93 118.68 114.73 1pdh s LEU 70 Ca 0.75 -0.26 -0.21 0.00 -1.03 0.00 0.00 54.13 53.37 1pdh s LEU 70 Cb -0.36 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 1pdh s LEU 70 CO 0.41 0.04 0.65 -0.69 0.23 0.00 0.00 176.35 177.00 1pdh s VAL 71 N 1.13 5.01 -0.11 -1.59 1.01 -1.26 0.57 120.40 125.15 1pdh s VAL 71 Ca 0.02 1.24 -0.02 0.00 0.00 0.00 0.00 61.98 63.22 1pdh s VAL 71 Cb -0.14 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1pdh s VAL 71 CO 0.01 0.11 -0.04 -1.00 0.00 0.00 0.00 175.10 174.18 1pdh s HIS 72 N 1.86 3.03 -1.40 5.22 3.76 0.08 -4.97 115.29 122.87 1pdh s HIS 72 Ca 0.30 -0.08 0.18 0.00 -0.15 0.00 0.00 55.06 55.31 1pdh s HIS 72 Cb -0.16 -1.85 -0.07 0.00 1.11 0.00 0.00 32.58 31.62 1pdh s HIS 72 CO 0.11 0.20 0.88 0.39 -0.85 0.00 0.00 174.74 175.46 1pdh n GLU 73 N 2.81 1.42 -3.91 1.40 1.02 -1.26 -2.70 120.64 119.41 1pdh n GLU 73 Ca -0.18 -0.59 -0.09 0.00 -0.02 0.00 0.00 57.16 56.28 1pdh n GLU 73 Cb 0.53 -1.34 -0.02 0.00 -0.02 0.00 0.00 31.44 30.59 1pdh n GLU 73 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1pdh s GLY 74 N -2.29 0.50 -0.04 0.62 0.00 -1.26 -0.92 107.32 103.93 1pdh s GLY 74 Ca 0.12 -0.81 -0.22 0.00 0.00 0.00 0.00 44.72 43.82 1pdh s GLY 74 CO 0.55 -0.45 0.48 0.54 0.00 0.00 0.00 173.10 174.22 1pdh s VAL 75 N -3.22 0.03 0.13 1.40 0.11 -0.96 -4.50 120.40 113.39 1pdh s VAL 75 Ca 0.19 -0.24 0.07 0.00 -2.93 0.00 0.00 61.98 59.07 1pdh s VAL 75 Cb -0.03 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 1pdh s VAL 75 CO 0.11 -0.13 -0.08 -1.61 -3.33 0.00 0.00 175.10 170.06 1pdh s GLU 76 N -1.17 2.18 -0.11 1.54 2.02 0.13 -0.06 118.70 123.23 1pdh s GLU 76 Ca -0.12 -1.08 -0.00 0.00 0.02 0.00 0.00 54.97 53.79 1pdh s GLU 76 Cb -0.03 -2.30 0.02 0.00 0.10 0.00 0.00 34.13 31.93 1pdh s GLU 76 CO 0.06 0.48 -0.08 0.42 0.02 0.00 0.00 175.26 176.17 1pdh s ILE 77 N -1.42 1.04 -0.17 -1.63 1.01 0.11 -1.23 121.20 118.91 1pdh s ILE 77 Ca 0.23 -0.30 -0.05 0.00 0.00 0.00 0.00 60.65 60.53 1pdh s ILE 77 Cb -0.10 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 1pdh s ILE 77 CO 0.15 0.37 0.00 0.00 0.00 0.00 0.00 174.94 175.46 1pdh s ALA 78 N 1.64 3.16 0.03 9.38 0.00 -0.11 0.03 121.76 135.88 1pdh s ALA 78 Ca 0.04 -0.80 -0.26 0.00 0.00 0.00 0.00 51.96 50.94 1pdh s ALA 78 Cb -0.13 -1.71 0.06 0.00 0.00 0.00 0.00 23.12 21.35 1pdh s ALA 78 CO -0.08 0.18 0.59 -0.59 0.00 0.00 0.00 175.76 175.87 1pdh s PHE 79 N 0.39 -0.54 -1.54 0.00 -0.71 -0.17 -0.88 117.98 114.54 1pdh s PHE 79 Ca -0.01 0.71 -0.04 0.00 -1.04 0.00 0.00 56.93 56.55 1pdh s PHE 79 Cb -0.13 0.40 0.04 0.00 -1.21 0.00 0.00 43.02 42.12 1pdh s PHE 79 CO 0.02 -0.66 0.11 0.00 -1.34 0.00 0.00 175.22 173.34 1pdh n ALA 80 N 0.49 -1.81 -2.43 1.99 0.00 -1.26 -0.86 120.51 116.62 1pdh n ALA 80 Ca -0.18 -0.36 -0.09 0.00 0.00 0.00 0.00 53.44 52.80 1pdh n ALA 80 Cb 0.60 -1.06 0.01 0.00 0.00 0.00 0.00 19.45 18.99 1pdh n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pdh n GLY 81 N -2.24 0.13 3.39 0.00 0.00 -1.26 -5.04 105.19 100.17 1pdh n GLY 81 Ca -0.23 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.20 1pdh n GLY 81 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1pdh s GLN 82 N -4.81 1.03 -0.13 1.61 -2.07 -0.04 -5.15 119.66 110.11 1pdh s GLN 82 Ca 0.08 -0.24 0.02 0.00 -1.82 0.00 0.00 55.36 53.41 1pdh s GLN 82 Cb -0.04 0.47 0.00 0.00 -1.09 0.00 0.00 33.01 32.36 1pdh s GLN 82 CO 0.10 -0.37 -0.21 1.03 -1.32 0.00 0.00 175.29 174.52 1pdh s ARG 83 N -2.45 3.08 -0.14 9.60 0.52 -1.26 -1.00 118.95 127.31 1pdh s ARG 83 Ca -0.05 -0.84 0.02 0.00 -0.52 0.00 0.00 55.73 54.35 1pdh s ARG 83 Cb -0.01 -2.43 0.01 0.00 0.52 0.00 0.00 34.95 33.04 1pdh s ARG 83 CO -0.02 0.07 -0.22 1.03 0.02 0.00 0.00 175.30 176.19 1pdh s ARG 84 N 0.62 3.04 -0.15 3.54 1.81 0.10 -4.95 118.95 122.97 1pdh s ARG 84 Ca -0.11 -0.85 -0.11 0.00 -1.72 0.00 0.00 55.73 52.94 1pdh s ARG 84 Cb -0.16 -2.44 -0.05 0.00 -0.45 0.00 0.00 34.95 31.85 1pdh s ARG 84 CO 0.03 0.01 0.20 0.50 -0.68 0.00 0.00 175.30 175.36 1pdh s ARG 85 N 0.77 3.97 -0.28 3.54 3.52 -1.26 0.04 118.95 129.25 1pdh s ARG 85 Ca -0.08 -0.05 -0.11 0.00 -0.13 0.00 0.00 55.73 55.36 1pdh s ARG 85 Cb -0.16 -3.34 -0.05 0.00 -1.56 0.00 0.00 34.95 29.84 1pdh s ARG 85 CO -0.01 0.45 0.19 0.42 -0.81 0.00 0.00 175.30 175.54 1pdh s ILE 86 N -0.13 5.28 -0.85 4.11 1.09 0.92 -4.96 121.20 126.65 1pdh s ILE 86 Ca 0.14 0.16 -0.23 0.00 -1.10 0.00 0.00 60.65 59.62 1pdh s ILE 86 Cb -0.12 -3.52 0.07 0.00 -1.06 0.00 0.00 42.46 37.83 1pdh s ILE 86 CO 0.03 0.25 1.23 -0.62 -0.10 0.00 0.00 174.94 175.73 1pdh s ASP 87 N 1.76 6.37 0.18 3.58 -1.08 -1.26 -2.26 116.67 123.95 1pdh s ASP 87 Ca 0.07 -1.24 -0.11 0.00 -0.52 0.00 0.00 52.55 50.75 1pdh s ASP 87 Cb -0.16 -2.50 0.09 0.00 -1.46 0.00 0.00 42.92 38.89 1pdh s ASP 87 CO 0.11 -1.48 1.75 -0.07 0.52 0.00 0.00 175.17 176.00 1pdh h LEU 88 N 12.00 0.84 -0.11 -1.34 3.38 -1.36 -0.96 115.31 127.76 1pdh h LEU 88 Ca -0.04 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1pdh h LEU 88 Cb 1.04 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 1pdh h LEU 88 CO 1.27 0.76 0.04 0.50 0.09 0.00 0.00 178.44 181.10 1pdh h LYS 89 N 0.86 0.16 -0.04 1.13 3.64 -1.45 0.49 116.57 121.37 1pdh h LYS 89 Ca 0.21 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1pdh h LYS 89 Cb 0.17 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1pdh h LYS 89 CO -0.02 0.26 0.00 -0.09 -2.27 0.00 0.00 179.45 177.33 1pdh h ARG 90 N 0.02 0.07 0.00 1.90 2.43 -1.84 0.93 114.38 117.89 1pdh h ARG 90 Ca 0.04 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1pdh h ARG 90 Cb 0.16 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1pdh h ARG 90 CO -0.00 0.36 -0.13 -0.07 -1.51 0.00 0.00 179.97 178.61 1pdh h LEU 91 N -0.22 0.00 -1.47 3.80 3.38 -1.17 -3.10 115.31 116.53 1pdh h LEU 91 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1pdh h LEU 91 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1pdh h LEU 91 CO 0.00 0.13 -0.19 -1.54 0.09 0.00 0.00 178.44 176.93 1pdh n SER 92 N -3.26 2.48 -0.26 -0.43 3.41 0.16 -4.71 113.62 111.01 1pdh n SER 92 Ca 0.01 -1.75 0.00 0.00 -0.26 0.00 0.00 58.87 56.87 1pdh n SER 92 Cb 0.39 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 1pdh n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pdh n GLY 93 N 1.37 0.96 0.92 5.00 0.00 -1.08 -4.33 105.19 108.03 1pdh n GLY 93 Ca 0.12 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1pdh n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pdh n GLY 94 N -0.49 0.68 3.87 -0.02 0.00 0.32 -5.04 105.19 104.51 1pdh n GLY 94 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1pdh n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pdh s LYS 95 N -0.68 3.83 0.34 1.61 1.02 -1.25 -4.91 119.74 119.69 1pdh s LYS 95 Ca 0.00 0.57 0.07 0.00 0.02 0.00 0.00 55.97 56.64 1pdh s LYS 95 Cb 0.00 -2.35 -0.03 0.00 -0.52 0.00 0.00 37.83 34.93 1pdh s LYS 95 CO 0.00 -0.05 0.27 0.25 -0.92 0.00 0.00 175.35 174.90 1pdh n THR 96 N -1.23 0.00 -4.32 2.17 -2.24 -1.26 -3.23 114.28 104.17 1pdh n THR 96 Ca 0.03 -2.42 -0.19 0.00 -2.27 0.00 0.00 64.05 59.20 1pdh n THR 96 Cb 0.54 1.18 -0.11 0.00 -2.10 0.00 0.00 70.33 69.85 1pdh n THR 96 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1pdh s VAL 97 N -3.33 1.69 -0.12 2.28 -7.23 -1.10 -4.23 120.40 108.36 1pdh s VAL 97 Ca 0.38 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.54 1pdh s VAL 97 Cb 0.02 -1.88 -0.01 0.00 0.56 0.00 0.00 36.38 35.07 1pdh s VAL 97 CO 0.27 -0.47 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.53 1pdh s THR 98 N -2.52 2.74 -0.41 5.32 2.01 -0.07 -0.74 115.64 121.96 1pdh s THR 98 Ca 0.18 -0.78 -0.19 0.00 0.31 0.00 0.00 61.69 61.21 1pdh s THR 98 Cb -0.03 -2.12 0.02 0.00 0.01 0.00 0.00 72.50 70.37 1pdh s THR 98 CO 0.06 0.54 0.58 -0.69 -0.69 0.00 0.00 174.62 174.41 1pdh s VAL 99 N 0.34 4.92 -0.25 3.82 1.01 0.19 -0.07 120.40 130.37 1pdh s VAL 99 Ca -0.13 0.12 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 1pdh s VAL 99 Cb -0.17 -4.11 0.12 0.00 0.00 0.00 0.00 36.38 32.23 1pdh s VAL 99 CO 0.07 -0.46 0.49 -0.47 0.00 0.00 0.00 175.10 174.73 1pdh s TYR 100 N 2.60 -1.05 0.42 5.22 5.04 -0.58 -1.11 117.35 127.89 1pdh s TYR 100 Ca 0.20 1.57 -0.24 0.00 -2.44 0.00 0.00 57.07 56.16 1pdh s TYR 100 Cb -0.15 0.39 -0.11 0.00 0.35 0.00 0.00 41.96 42.44 1pdh s TYR 100 CO 0.16 -0.64 0.94 0.41 -1.34 0.00 0.00 175.55 175.09 1pdh n GLY 101 N 5.40 -0.39 0.29 8.97 0.00 -1.26 -4.50 105.19 113.70 1pdh n GLY 101 Ca -0.07 0.13 -0.00 0.00 0.00 0.00 0.00 46.02 46.08 1pdh n GLY 101 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1pdh h GLN 102 N 1.43 0.66 -0.86 1.61 4.15 -1.29 -0.85 115.11 119.96 1pdh h GLN 102 Ca -0.44 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 58.87 1pdh h GLN 102 Cb 1.35 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.88 1pdh h GLN 102 CO 0.56 0.59 0.50 1.15 -1.93 0.00 0.00 178.83 179.70 1pdh h THR 103 N 0.65 1.24 -0.27 2.39 2.02 -1.77 -0.34 112.91 116.82 1pdh h THR 103 Ca 0.15 -0.55 -0.05 0.00 0.77 0.00 0.00 66.41 66.73 1pdh h THR 103 Cb 0.21 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 1pdh h THR 103 CO -0.01 0.26 -0.03 -0.33 0.37 0.00 0.00 175.52 175.78 1pdh h GLU 104 N 1.18 0.50 -0.52 6.66 3.07 -1.70 -1.35 114.58 122.43 1pdh h GLU 104 Ca 0.31 -0.18 0.02 0.00 -0.50 0.00 0.00 59.36 59.01 1pdh h GLU 104 Cb -0.03 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.81 1pdh h GLU 104 CO -0.06 0.69 0.31 0.28 -1.40 0.00 0.00 179.01 178.83 1pdh h VAL 105 N 0.27 1.06 -0.74 3.13 2.07 -0.85 -0.71 116.25 120.49 1pdh h VAL 105 Ca 0.07 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 1pdh h VAL 105 Cb 0.48 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1pdh h VAL 105 CO 0.02 0.11 0.32 0.74 0.02 0.00 0.00 177.57 178.78 1pdh h THR 106 N 0.62 1.25 -0.59 2.57 2.02 -0.89 -1.50 112.91 116.38 1pdh h THR 106 Ca 0.21 -0.74 -0.09 0.00 0.77 0.00 0.00 66.41 66.56 1pdh h THR 106 Cb 0.01 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 1pdh h THR 106 CO -0.09 0.30 0.02 -0.09 0.37 0.00 0.00 175.52 176.04 1pdh h ARG 107 N 1.05 1.03 -0.43 6.66 2.43 -0.93 -0.26 114.38 123.94 1pdh h ARG 107 Ca 0.25 -0.32 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1pdh h ARG 107 Cb 0.17 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1pdh h ARG 107 CO -0.03 1.01 0.19 -0.44 -1.51 0.00 0.00 179.97 179.19 1pdh h ASP 108 N 0.93 0.57 -0.46 -3.80 3.32 -0.78 -2.08 116.42 114.13 1pdh h ASP 108 Ca 0.17 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 1pdh h ASP 108 Cb 0.52 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 1pdh h ASP 108 CO 0.03 0.56 0.01 -0.07 -1.72 0.00 0.00 179.24 178.04 1pdh h LEU 109 N 0.55 0.80 -1.03 1.55 3.38 -1.09 -2.13 115.31 117.33 1pdh h LEU 109 Ca 0.14 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1pdh h LEU 109 Cb 0.15 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1pdh h LEU 109 CO -0.02 0.90 0.60 0.24 0.09 0.00 0.00 178.44 180.26 1pdh h MET 110 N 0.66 1.26 0.04 1.13 2.86 -0.93 -0.42 114.93 119.54 1pdh h MET 110 Ca 0.13 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1pdh h MET 110 Cb 0.49 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1pdh h MET 110 CO 0.02 0.85 -0.02 0.93 1.06 0.00 0.00 176.91 179.76 1pdh h GLU 111 N 1.29 -0.06 -0.68 1.72 5.08 -1.26 -0.98 114.58 119.70 1pdh h GLU 111 Ca 0.34 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.78 1pdh h GLU 111 Cb -0.11 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.09 1pdh h GLU 111 CO -0.07 0.17 0.36 0.00 -1.00 0.00 0.00 179.01 178.48 1pdh h ALA 112 N 0.67 0.91 -0.37 3.43 0.00 -1.11 -0.49 119.26 122.30 1pdh h ALA 112 Ca -0.01 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1pdh h ALA 112 Cb 0.25 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1pdh h ALA 112 CO 0.01 0.02 0.03 -0.09 0.00 0.00 0.00 179.25 179.22 1pdh h ARG 113 N 0.66 0.64 -0.38 0.00 2.43 -0.96 -1.57 114.38 115.19 1pdh h ARG 113 Ca 0.31 -0.19 0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1pdh h ARG 113 Cb 0.23 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 1pdh h ARG 113 CO -0.20 0.72 0.22 1.49 -1.51 0.00 0.00 179.97 180.69 1pdh h GLU 114 N 0.47 0.44 -0.70 0.20 4.22 -0.81 -2.43 114.58 115.97 1pdh h GLU 114 Ca 0.11 -0.03 -0.05 0.00 0.08 0.00 0.00 59.36 59.48 1pdh h GLU 114 Cb 0.41 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1pdh h GLU 114 CO 0.01 0.29 0.24 0.00 -2.18 0.00 0.00 179.01 177.38 1pdh h ALA 115 N 1.17 1.12 0.00 2.92 0.00 -0.93 -2.78 119.26 120.76 1pdh h ALA 115 Ca 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pdh h ALA 115 Cb 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1pdh h ALA 115 CO -0.08 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.79 1pdh n GLY 117 N 1.40 0.47 3.76 0.00 0.00 -0.94 -5.03 105.19 104.84 1pdh n GLY 117 Ca 0.07 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 1pdh n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pdh s ALA 118 N -1.99 2.49 -0.02 4.61 0.00 -1.20 -4.95 121.76 120.70 1pdh s ALA 118 Ca 0.00 0.81 -0.30 0.00 0.00 0.00 0.00 51.96 52.47 1pdh s ALA 118 Cb 0.00 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.68 1pdh s ALA 118 CO 0.00 -1.22 1.30 0.99 0.00 0.00 0.00 175.76 176.83 1pdh s THR 119 N -1.92 3.96 -0.04 0.00 2.01 -1.26 -4.86 115.64 113.54 1pdh s THR 119 Ca 0.73 1.33 -0.01 0.00 0.31 0.00 0.00 61.69 64.05 1pdh s THR 119 Cb -0.26 -3.85 0.03 0.00 0.01 0.00 0.00 72.50 68.43 1pdh s THR 119 CO 0.36 0.00 0.02 -0.89 -0.69 0.00 0.00 174.62 173.42 1pdh s THR 120 N 2.24 0.11 -0.36 -0.82 2.01 -1.26 -1.70 115.64 115.86 1pdh s THR 120 Ca 0.60 0.21 -0.03 0.00 0.31 0.00 0.00 61.69 62.78 1pdh s THR 120 Cb -0.28 -0.28 0.08 0.00 0.01 0.00 0.00 72.50 72.03 1pdh s THR 120 CO 0.25 0.18 0.11 -0.69 -0.69 0.00 0.00 174.62 173.77 1pdh s VAL 121 N 1.59 3.26 0.57 3.82 1.01 0.59 -4.97 120.40 126.27 1pdh s VAL 121 Ca -0.02 -1.65 -0.08 0.00 0.00 0.00 0.00 61.98 60.23 1pdh s VAL 121 Cb -0.13 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 1pdh s VAL 121 CO -0.03 -0.39 0.92 -0.31 0.00 0.00 0.00 175.10 175.30 1pdh s TYR 122 N 1.23 3.50 -1.48 5.22 2.02 -1.26 -0.82 117.35 125.76 1pdh s TYR 122 Ca 0.01 0.96 -0.06 0.00 -0.37 0.00 0.00 57.07 57.61 1pdh s TYR 122 Cb -0.21 -2.60 0.02 0.00 -0.40 0.00 0.00 41.96 38.77 1pdh s TYR 122 CO -0.02 -0.61 0.62 1.04 -1.57 0.00 0.00 175.55 175.01 1pdh n GLN 123 N -2.56 -4.74 -2.68 -0.62 6.02 0.67 -4.85 117.38 108.61 1pdh n GLN 123 Ca 0.04 0.79 -0.42 0.00 -0.01 0.00 0.00 57.00 57.40 1pdh n GLN 123 Cb 0.55 -5.63 -0.03 0.00 1.02 0.00 0.00 30.24 26.15 1pdh n GLN 123 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pdh s ALA 124 N -3.13 3.04 0.36 -1.58 0.00 -0.31 -4.72 121.76 115.42 1pdh s ALA 124 Ca 0.35 -1.05 -0.05 0.00 0.00 0.00 0.00 51.96 51.21 1pdh s ALA 124 Cb -0.17 -3.94 -0.05 0.00 0.00 0.00 0.00 23.12 18.97 1pdh s ALA 124 CO 0.44 -2.61 0.64 0.00 0.00 0.00 0.00 175.76 174.23 1pdh s ALA 125 N 4.61 3.53 -1.44 0.00 0.00 -0.54 -3.95 121.76 123.98 1pdh s ALA 125 Ca 0.37 -0.52 -0.11 0.00 0.00 0.00 0.00 51.96 51.70 1pdh s ALA 125 Cb -0.10 -2.41 0.01 0.00 0.00 0.00 0.00 23.12 20.62 1pdh s ALA 125 CO 0.22 0.04 0.23 0.39 0.00 0.00 0.00 175.76 176.64 1pdh n GLU 126 N -1.39 -0.86 -1.87 0.00 -0.58 -1.26 -0.76 120.64 113.93 1pdh n GLU 126 Ca -0.01 0.10 -0.42 0.00 -0.42 0.00 0.00 57.16 56.42 1pdh n GLU 126 Cb 0.54 -3.32 -0.03 0.00 -0.57 0.00 0.00 31.44 28.07 1pdh n GLU 126 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1pdh s VAL 127 N -4.11 2.37 0.02 2.62 1.01 -1.26 -4.47 120.40 116.58 1pdh s VAL 127 Ca 0.15 0.28 0.04 0.00 0.00 0.00 0.00 61.98 62.45 1pdh s VAL 127 Cb -0.08 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.10 1pdh s VAL 127 CO 0.99 0.03 -0.11 -0.13 0.00 0.00 0.00 175.10 175.87 1pdh s ARG 128 N 0.53 0.83 -0.05 2.72 1.81 0.23 -4.95 118.95 120.08 1pdh s ARG 128 Ca 0.68 -0.55 -0.00 0.00 -1.72 0.00 0.00 55.73 54.13 1pdh s ARG 128 Cb -0.46 -0.79 -0.03 0.00 -0.45 0.00 0.00 34.95 33.22 1pdh s ARG 128 CO 0.37 0.20 -0.01 -0.51 -0.68 0.00 0.00 175.30 174.68 1pdh s LEU 129 N -0.73 3.49 0.07 2.53 1.43 -1.26 -0.95 118.68 123.26 1pdh s LEU 129 Ca 0.02 0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.19 1pdh s LEU 129 Cb -0.06 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 1pdh s LEU 129 CO 0.00 0.33 -0.07 -1.00 0.23 0.00 0.00 176.35 175.85 1pdh s HIS 130 N -0.96 0.75 -1.54 0.29 3.76 0.50 -4.89 115.29 113.20 1pdh s HIS 130 Ca 0.16 -0.74 -0.08 0.00 -0.15 0.00 0.00 55.06 54.25 1pdh s HIS 130 Cb -0.11 -0.45 0.07 0.00 1.11 0.00 0.00 32.58 33.20 1pdh s HIS 130 CO 0.06 -0.14 0.57 -0.25 -0.85 0.00 0.00 174.74 174.12 1pdh n ASP 131 N 0.64 -1.62 0.02 1.40 8.00 -1.26 -1.97 116.55 121.76 1pdh n ASP 131 Ca -0.17 -1.01 0.17 0.00 0.71 0.00 0.00 54.79 54.48 1pdh n ASP 131 Cb 0.58 -2.89 0.64 0.00 -0.02 0.00 0.00 41.12 39.43 1pdh n ASP 131 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1pdh h LEU 132 N -1.71 0.08 -3.27 0.64 3.38 -1.92 -0.95 115.31 111.55 1pdh h LEU 132 Ca -0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.36 1pdh h LEU 132 Cb 1.38 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1pdh h LEU 132 CO 0.69 0.04 0.00 0.00 0.09 0.00 0.00 178.44 179.27 1pdh n GLN 133 N -4.43 4.00 -2.16 1.13 6.02 -1.26 -0.24 117.38 120.45 1pdh n GLN 133 Ca 0.08 -2.95 -0.16 0.00 -0.01 0.00 0.00 57.00 53.96 1pdh n GLN 133 Cb 0.48 -1.98 0.07 0.00 1.02 0.00 0.00 30.24 29.83 1pdh n GLN 133 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1pdh n GLY 134 N 0.82 1.09 0.09 1.08 0.00 -0.36 -4.98 105.19 102.93 1pdh n GLY 134 Ca 0.26 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.07 1pdh n GLY 134 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pdh h GLU 135 N 0.00 0.18 -3.14 1.61 4.81 -1.93 -3.41 114.58 112.69 1pdh h GLU 135 Ca -0.22 -0.30 -0.62 0.00 -0.13 0.00 0.00 59.36 58.08 1pdh h GLU 135 Cb 0.89 0.11 -0.40 0.00 0.63 0.00 0.00 28.75 29.98 1pdh h GLU 135 CO 0.26 1.10 -0.69 0.50 -0.73 0.00 0.00 179.01 179.45 1pdh s ARG 136 N -2.66 1.57 0.81 1.92 6.06 -1.26 -4.89 118.95 120.50 1pdh s ARG 136 Ca -0.04 -2.27 -0.12 0.00 -2.50 0.00 0.00 55.73 50.81 1pdh s ARG 136 Cb 0.08 -2.74 0.08 0.00 0.06 0.00 0.00 34.95 32.43 1pdh s ARG 136 CO 0.86 -1.14 1.11 -1.25 -2.50 0.00 0.00 175.30 172.37 1pdh s PRO 137 N 0.08 2.01 0.10 5.12 0.04 -1.24 -4.88 135.00 136.23 1pdh s PRO 137 Ca 0.17 0.55 -0.15 0.00 0.04 0.00 0.00 61.00 61.62 1pdh s PRO 137 Cb -0.25 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.40 1pdh s PRO 137 CO -0.00 -1.65 0.36 1.52 0.04 0.00 0.00 177.00 177.27 1pdh s TYR 138 N -3.21 -0.15 -0.03 0.56 1.13 -0.83 -2.47 117.35 112.35 1pdh s TYR 138 Ca 0.61 -0.14 0.07 0.00 -1.41 0.00 0.00 57.07 56.20 1pdh s TYR 138 Cb -0.14 0.19 -0.02 0.00 -1.10 0.00 0.00 41.96 40.90 1pdh s TYR 138 CO 0.54 -0.65 -0.24 0.08 -2.51 0.00 0.00 175.55 172.76 1pdh s VAL 139 N -3.57 1.95 0.11 -3.49 1.01 0.03 -0.37 120.40 116.08 1pdh s VAL 139 Ca 0.02 -1.04 0.10 0.00 0.00 0.00 0.00 61.98 61.06 1pdh s VAL 139 Cb 0.02 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1pdh s VAL 139 CO -0.10 0.55 -0.26 0.42 0.00 0.00 0.00 175.10 175.71 1pdh s THR 140 N -0.43 2.14 0.27 3.92 -4.23 -0.13 0.10 115.64 117.28 1pdh s THR 140 Ca 0.05 -1.65 -0.21 0.00 -1.18 0.00 0.00 61.69 58.69 1pdh s THR 140 Cb -0.11 -1.89 0.02 0.00 1.34 0.00 0.00 72.50 71.87 1pdh s THR 140 CO 0.01 0.11 0.73 0.72 -0.54 0.00 0.00 174.62 175.65 1pdh s PHE 141 N -1.03 -0.19 -0.10 3.99 -0.71 -0.75 -0.60 117.98 118.59 1pdh s PHE 141 Ca 0.12 -0.26 0.02 0.00 -1.04 0.00 0.00 56.93 55.77 1pdh s PHE 141 Cb -0.10 0.71 -0.01 0.00 -1.21 0.00 0.00 43.02 42.40 1pdh s PHE 141 CO 0.05 -1.22 -0.17 -1.21 -1.34 0.00 0.00 175.22 171.34 1pdh s GLU 142 N -3.89 3.02 -0.11 1.99 2.02 0.06 0.29 118.70 122.09 1pdh s GLU 142 Ca 0.11 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.36 1pdh s GLU 142 Cb -0.06 -2.46 0.02 0.00 0.10 0.00 0.00 34.13 31.73 1pdh s GLU 142 CO 0.07 0.33 -0.09 0.50 0.02 0.00 0.00 175.26 176.08 1pdh s ARG 143 N 0.03 1.60 0.00 1.61 3.52 0.97 -1.47 118.95 125.21 1pdh s ARG 143 Ca -0.06 -0.30 0.00 0.00 -0.13 0.00 0.00 55.73 55.24 1pdh s ARG 143 Cb -0.15 -1.58 0.00 0.00 -1.56 0.00 0.00 34.95 31.66 1pdh s ARG 143 CO 0.05 -0.21 0.00 -3.47 -0.81 0.00 0.00 175.30 170.86 1pdh n ASP 144 N 4.72 0.00 0.00 -2.12 -0.08 -1.26 -0.82 116.55 116.99 1pdh n ASP 144 Ca -0.15 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.13 1pdh n ASP 144 Cb 0.50 -0.37 0.00 0.00 2.34 0.00 0.00 41.12 43.60 1pdh n ASP 144 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1pdh n GLY 145 N -1.69 0.94 3.80 0.27 0.00 -1.26 -5.11 105.19 102.14 1pdh n GLY 145 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1pdh n GLY 145 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1pdh s GLU 146 N 0.00 4.10 -0.31 1.61 -1.05 -0.00 -5.03 118.70 118.01 1pdh s GLU 146 Ca 0.00 0.50 -0.17 0.00 -0.15 0.00 0.00 54.97 55.14 1pdh s GLU 146 Cb 0.00 -3.28 -0.02 0.00 -0.44 0.00 0.00 34.13 30.39 1pdh s GLU 146 CO 0.00 0.53 0.47 0.50 0.95 0.00 0.00 175.26 177.72 1pdh s ARG 147 N -0.62 3.81 0.20 -4.83 6.06 -1.26 -0.02 118.95 122.29 1pdh s ARG 147 Ca 0.25 -0.02 0.06 0.00 -2.50 0.00 0.00 55.73 53.53 1pdh s ARG 147 Cb -0.17 -3.74 -0.04 0.00 0.06 0.00 0.00 34.95 31.06 1pdh s ARG 147 CO 0.14 -0.49 0.14 -0.51 -2.50 0.00 0.00 175.30 172.08 1pdh s LEU 148 N 2.28 3.73 -0.08 -0.88 1.43 0.15 -4.93 118.68 120.38 1pdh s LEU 148 Ca 0.18 -0.22 0.05 0.00 -1.03 0.00 0.00 54.13 53.11 1pdh s LEU 148 Cb -0.16 -2.32 -0.01 0.00 0.03 0.00 0.00 46.19 43.74 1pdh s LEU 148 CO 0.11 0.03 -0.24 -0.60 0.23 0.00 0.00 176.35 175.88 1pdh s ARG 149 N -3.38 2.81 -0.24 1.70 3.52 -1.26 -1.82 118.95 120.28 1pdh s ARG 149 Ca 0.31 -0.89 0.02 0.00 -0.13 0.00 0.00 55.73 55.04 1pdh s ARG 149 Cb -0.09 -2.23 0.05 0.00 -1.56 0.00 0.00 34.95 31.11 1pdh s ARG 149 CO 0.23 0.28 -0.12 -1.17 -0.81 0.00 0.00 175.30 173.72 1pdh s LEU 150 N 0.09 3.16 0.25 -0.88 2.96 0.11 -3.04 118.68 121.33 1pdh s LEU 150 Ca -0.11 -1.17 -0.18 0.00 -0.22 0.00 0.00 54.13 52.46 1pdh s LEU 150 Cb -0.16 -1.56 -0.08 0.00 0.50 0.00 0.00 46.19 44.89 1pdh s LEU 150 CO 0.06 -0.15 0.71 -1.81 -1.32 0.00 0.00 176.35 173.85 1pdh s ASP 151 N 1.18 6.94 0.39 3.68 1.01 -0.51 -0.79 116.67 128.57 1pdh s ASP 151 Ca -0.05 1.34 -0.14 0.00 0.71 0.00 0.00 52.55 54.41 1pdh s ASP 151 Cb -0.18 -2.39 0.05 0.00 1.01 0.00 0.00 42.92 41.41 1pdh s ASP 151 CO -0.06 -0.04 0.77 0.00 0.21 0.00 0.00 175.17 176.04 1pdh n ASP 153 N -1.51 1.98 -4.09 0.00 8.00 -0.17 -3.64 116.55 117.12 1pdh n ASP 153 Ca -0.08 0.01 -0.10 0.00 0.71 0.00 0.00 54.79 55.33 1pdh n ASP 153 Cb 0.60 -0.55 -0.11 0.00 -0.02 0.00 0.00 41.12 41.05 1pdh n ASP 153 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1pdh s TYR 154 N -2.52 0.65 -0.07 1.24 2.02 -1.03 -4.62 117.35 113.02 1pdh s TYR 154 Ca -0.35 -0.76 0.03 0.00 -0.37 0.00 0.00 57.07 55.62 1pdh s TYR 154 Cb 0.10 -0.40 0.01 0.00 -0.40 0.00 0.00 41.96 41.27 1pdh s TYR 154 CO 0.58 -0.18 -0.15 0.42 -1.57 0.00 0.00 175.55 174.65 1pdh s ILE 155 N -2.67 1.36 -0.27 2.71 1.01 0.06 -1.21 121.20 122.18 1pdh s ILE 155 Ca -0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 60.65 59.97 1pdh s ILE 155 Cb -0.01 -1.21 0.00 0.00 0.01 0.00 0.00 42.46 41.25 1pdh s ILE 155 CO -0.04 0.40 0.05 0.00 0.00 0.00 0.00 174.94 175.35 1pdh s ALA 156 N 0.48 3.01 -0.71 9.38 0.00 0.32 -1.31 121.76 132.93 1pdh s ALA 156 Ca -0.13 -1.37 -0.23 0.00 0.00 0.00 0.00 51.96 50.22 1pdh s ALA 156 Cb -0.15 -2.04 0.06 0.00 0.00 0.00 0.00 23.12 20.99 1pdh s ALA 156 CO 0.04 -0.79 1.07 0.20 0.00 0.00 0.00 175.76 176.29 1pdh s GLY 157 N 1.50 1.29 -0.30 0.00 0.00 0.12 -1.48 107.32 108.44 1pdh s GLY 157 Ca 0.03 -1.82 0.07 0.00 0.00 0.00 0.00 44.72 43.01 1pdh s GLY 157 CO 0.01 2.23 1.26 0.00 0.00 0.00 0.00 173.10 176.60 1pdh n ASP 159 N -0.81 5.11 -0.74 0.00 5.68 -0.74 -4.35 116.55 120.71 1pdh n ASP 159 Ca 0.41 -2.76 0.08 0.00 -0.50 0.00 0.00 54.79 52.01 1pdh n ASP 159 Cb 0.91 -0.65 -0.02 0.00 -1.14 0.00 0.00 41.12 40.22 1pdh n ASP 159 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pdh n GLY 160 N 0.65 -1.88 0.37 6.12 0.00 -1.26 -2.80 105.19 106.38 1pdh n GLY 160 Ca 0.25 -1.28 0.12 0.00 0.00 0.00 0.00 46.02 45.10 1pdh n GLY 160 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1pdh h PHE 161 N -0.53 0.95 -0.54 1.61 3.57 -1.83 -1.70 116.94 118.47 1pdh h PHE 161 Ca 0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1pdh h PHE 161 Cb 0.53 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.97 1pdh h PHE 161 CO 0.00 0.31 0.00 0.72 -2.23 0.00 0.00 178.31 177.11 1pdh n HIS 162 N -4.62 1.92 -1.22 0.41 8.25 -1.26 -4.91 115.22 113.78 1pdh n HIS 162 Ca 0.20 -0.74 -0.29 0.00 -0.26 0.00 0.00 57.72 56.62 1pdh n HIS 162 Cb 0.49 -0.48 0.15 0.00 1.12 0.00 0.00 29.99 31.27 1pdh n HIS 162 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1pdh s GLY 163 N -0.95 1.60 0.32 -1.41 0.00 -0.64 -4.96 107.32 101.28 1pdh s GLY 163 Ca 0.53 -0.20 0.17 0.00 0.00 0.00 0.00 44.72 45.22 1pdh s GLY 163 CO 0.15 0.33 1.50 1.19 0.00 0.00 0.00 173.10 176.27 1pdh h ILE 164 N -1.66 0.66 -0.29 0.90 6.09 -1.89 -3.37 117.51 117.95 1pdh h ILE 164 Ca -0.51 -1.90 -0.01 0.00 -1.37 0.00 0.00 64.86 61.06 1pdh h ILE 164 Cb 1.30 2.30 -0.01 0.00 0.47 0.00 0.00 36.82 40.88 1pdh h ILE 164 CO 0.56 0.37 0.13 0.77 -3.07 0.00 0.00 178.15 176.91 1pdh h SER 165 N 0.00 0.40 0.01 2.19 4.64 -1.94 -1.27 113.55 117.58 1pdh h SER 165 Ca -0.00 -0.15 -0.08 0.00 -0.47 0.00 0.00 61.79 61.09 1pdh h SER 165 Cb 1.27 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1pdh h SER 165 CO 0.05 0.43 -0.22 -0.09 -0.87 0.00 0.00 176.83 176.14 1pdh h ARG 166 N 0.33 0.36 0.00 4.77 2.43 -1.85 -2.02 114.38 118.41 1pdh h ARG 166 Ca 0.10 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1pdh h ARG 166 Cb 0.15 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1pdh h ARG 166 CO -0.01 0.57 -0.09 1.96 -1.51 0.00 0.00 179.97 180.89 1pdh h GLN 167 N 0.33 0.00 -0.00 0.20 4.20 -1.61 -2.95 115.11 115.28 1pdh h GLN 167 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1pdh h GLN 167 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1pdh h GLN 167 CO 0.04 0.09 -0.02 0.43 -0.67 0.00 0.00 178.83 178.70 1pdh n SER 168 N -3.33 0.05 -4.78 1.46 7.64 -0.52 -4.79 113.62 109.34 1pdh n SER 168 Ca -0.01 -0.02 -0.38 0.00 1.01 0.00 0.00 58.87 59.47 1pdh n SER 168 Cb 0.28 -0.31 -0.06 0.00 -1.01 0.00 0.00 64.21 63.11 1pdh n SER 168 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1pdh s ILE 169 N -2.68 5.10 -0.12 0.44 1.01 -1.11 -5.00 121.20 118.83 1pdh s ILE 169 Ca 0.25 0.89 -0.34 0.00 0.00 0.00 0.00 60.65 61.44 1pdh s ILE 169 Cb 0.20 -3.76 -0.11 0.00 0.01 0.00 0.00 42.46 38.80 1pdh s ILE 169 CO 0.49 0.46 1.93 -2.65 0.00 0.00 0.00 174.94 175.16 1pdh n PRO 170 N 2.71 2.07 -0.37 2.79 -0.02 -1.26 -4.81 135.00 136.11 1pdh n PRO 170 Ca -0.11 0.74 0.30 0.00 -2.02 0.00 0.00 63.50 62.42 1pdh n PRO 170 Cb 0.52 -2.67 0.57 0.00 -0.02 0.00 0.00 33.50 31.90 1pdh n PRO 170 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pdh h ALA 171 N 9.86 2.30 0.00 3.55 0.00 -1.93 0.46 119.26 133.50 1pdh h ALA 171 Ca -0.46 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1pdh h ALA 171 Cb 1.27 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1pdh h ALA 171 CO 0.96 -0.95 0.00 0.39 0.00 0.00 0.00 179.25 179.65 1pdh n GLU 172 N -4.95 0.02 0.05 0.00 1.02 -1.26 -1.83 120.64 113.68 1pdh n GLU 172 Ca 0.35 0.28 0.11 0.00 -0.02 0.00 0.00 57.16 57.88 1pdh n GLU 172 Cb 1.21 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 31.15 1pdh n GLU 172 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1pdh n ARG 173 N -1.48 0.40 -3.98 3.49 1.74 0.16 -4.93 116.66 112.06 1pdh n ARG 173 Ca 0.03 0.02 -0.34 0.00 -0.77 0.00 0.00 57.85 56.79 1pdh n ARG 173 Cb 0.13 -1.66 -0.06 0.00 -1.02 0.00 0.00 32.46 29.86 1pdh n ARG 173 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pdh s LEU 174 N -4.36 4.20 -0.23 0.55 1.43 -0.76 -4.38 118.68 115.13 1pdh s LEU 174 Ca 0.02 0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1pdh s LEU 174 Cb 0.13 -2.36 0.04 0.00 0.03 0.00 0.00 46.19 44.03 1pdh s LEU 174 CO 0.80 0.30 -0.13 -0.75 0.23 0.00 0.00 176.35 176.79 1pdh s LYS 175 N -1.63 2.68 -0.11 1.70 2.20 0.34 -4.94 119.74 119.98 1pdh s LYS 175 Ca 0.23 -1.05 -0.08 0.00 -0.36 0.00 0.00 55.97 54.70 1pdh s LYS 175 Cb -0.12 -2.78 -0.04 0.00 -1.51 0.00 0.00 37.83 33.37 1pdh s LYS 175 CO 0.13 -0.39 0.17 0.08 -0.36 0.00 0.00 175.35 174.99 1pdh s VAL 176 N 1.23 5.45 -0.10 4.02 1.01 -1.26 -0.65 120.40 130.09 1pdh s VAL 176 Ca -0.01 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.26 1pdh s VAL 176 Cb -0.16 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.80 1pdh s VAL 176 CO -0.08 0.61 -0.13 -0.36 0.00 0.00 0.00 175.10 175.14 1pdh s PHE 177 N -0.98 1.77 -0.00 5.22 0.40 0.28 -5.00 117.98 119.66 1pdh s PHE 177 Ca 0.16 -0.83 -0.07 0.00 -0.60 0.00 0.00 56.93 55.59 1pdh s PHE 177 Cb -0.12 -1.32 0.00 0.00 0.51 0.00 0.00 43.02 42.09 1pdh s PHE 177 CO 0.05 -0.46 0.14 -2.00 0.70 0.00 0.00 175.22 173.64 1pdh s GLU 178 N 1.14 0.46 -0.12 0.44 2.12 -1.26 -0.77 118.70 120.70 1pdh s GLU 178 Ca -0.04 -0.35 -0.06 0.00 0.36 0.00 0.00 54.97 54.88 1pdh s GLU 178 Cb -0.14 0.19 0.05 0.00 0.26 0.00 0.00 34.13 34.49 1pdh s GLU 178 CO -0.03 -0.11 0.28 0.50 -0.54 0.00 0.00 175.26 175.36 1pdh s ARG 179 N -1.26 0.22 -0.11 4.30 6.06 -0.53 -4.99 118.95 122.64 1pdh s ARG 179 Ca -0.13 0.65 -0.02 0.00 -2.50 0.00 0.00 55.73 53.72 1pdh s ARG 179 Cb -0.07 -0.07 -0.03 0.00 0.06 0.00 0.00 34.95 34.84 1pdh s ARG 179 CO 0.01 -0.20 -0.04 0.08 -2.50 0.00 0.00 175.30 172.66 1pdh s VAL 180 N 1.67 3.96 0.17 7.11 1.01 -1.26 -0.50 120.40 132.55 1pdh s VAL 180 Ca -0.06 -0.36 -0.10 0.00 0.00 0.00 0.00 61.98 61.46 1pdh s VAL 180 Cb -0.11 -2.68 -0.07 0.00 0.00 0.00 0.00 36.38 33.53 1pdh s VAL 180 CO -0.09 0.55 0.49 -0.31 0.00 0.00 0.00 175.10 175.74 1pdh s TYR 181 N -0.31 3.49 0.00 5.22 2.02 -0.66 -4.98 117.35 122.14 1pdh s TYR 181 Ca 0.05 0.83 0.00 0.00 -0.37 0.00 0.00 57.07 57.58 1pdh s TYR 181 Cb -0.12 -2.21 0.00 0.00 -0.40 0.00 0.00 41.96 39.22 1pdh s TYR 181 CO 0.02 0.37 1.01 -0.35 -1.57 0.00 0.00 175.55 175.03 1pdh n PRO 182 N 0.24 0.93 -3.71 -1.71 -0.04 -1.26 -4.66 135.00 124.79 1pdh n PRO 182 Ca -0.02 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.36 1pdh n PRO 182 Cb 0.52 -1.04 -0.02 0.00 -0.04 0.00 0.00 33.50 32.93 1pdh n PRO 182 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1pdh s PHE 183 N 0.08 -0.28 0.43 0.54 -0.12 -1.26 -4.24 117.98 113.13 1pdh s PHE 183 Ca 0.00 -0.07 0.04 0.00 -0.05 0.00 0.00 56.93 56.85 1pdh s PHE 183 Cb 0.00 0.65 -0.02 0.00 -0.63 0.00 0.00 43.02 43.02 1pdh s PHE 183 CO 0.00 -1.01 0.15 0.41 -0.05 0.00 0.00 175.22 174.71 1pdh n GLY 184 N -0.43 3.21 3.28 1.99 0.00 0.56 -2.82 105.19 110.99 1pdh n GLY 184 Ca -0.08 -2.13 -0.32 0.00 0.00 0.00 0.00 46.02 43.49 1pdh n GLY 184 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pdh s TRP 185 N -3.14 2.65 -0.37 1.61 0.52 0.88 -1.48 118.94 119.61 1pdh s TRP 185 Ca 0.21 -0.88 -0.15 0.00 0.02 0.00 0.00 56.10 55.30 1pdh s TRP 185 Cb 0.01 -1.75 -0.00 0.00 -1.15 0.00 0.00 33.47 30.57 1pdh s TRP 185 CO 0.15 -0.33 0.33 -1.17 0.02 0.00 0.00 176.95 175.95 1pdh s LEU 186 N 0.31 4.68 0.04 2.99 2.96 0.29 -1.02 118.68 128.93 1pdh s LEU 186 Ca -0.15 -0.50 0.01 0.00 -0.22 0.00 0.00 54.13 53.27 1pdh s LEU 186 Cb -0.17 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.22 1pdh s LEU 186 CO 0.08 -0.38 0.07 -0.83 -1.32 0.00 0.00 176.35 173.97 1pdh s GLY 187 N 1.73 2.00 -0.04 7.98 0.00 -0.00 -1.13 107.32 117.86 1pdh s GLY 187 Ca 0.09 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.86 1pdh s GLY 187 CO 0.11 -0.87 -0.01 -2.27 0.00 0.00 0.00 173.10 170.06 1pdh s LEU 188 N -2.02 1.05 -0.21 0.66 0.20 0.44 -2.06 118.68 116.74 1pdh s LEU 188 Ca 0.25 -0.07 -0.09 0.00 0.69 0.00 0.00 54.13 54.92 1pdh s LEU 188 Cb -0.12 -0.34 -0.04 0.00 -0.43 0.00 0.00 46.19 45.25 1pdh s LEU 188 CO 0.17 -0.11 0.11 -0.22 -0.29 0.00 0.00 176.35 176.01 1pdh s LEU 189 N 1.24 3.96 0.04 -0.68 2.96 0.42 -1.43 118.68 125.19 1pdh s LEU 189 Ca -0.06 0.10 0.03 0.00 -0.22 0.00 0.00 54.13 53.98 1pdh s LEU 189 Cb -0.13 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 1pdh s LEU 189 CO -0.02 0.12 -0.10 0.00 -1.32 0.00 0.00 176.35 175.03 1pdh s ALA 190 N 0.70 0.79 -0.85 5.97 0.00 -0.66 0.54 121.76 128.25 1pdh s ALA 190 Ca 0.06 -0.77 -0.06 0.00 0.00 0.00 0.00 51.96 51.19 1pdh s ALA 190 Cb -0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 1pdh s ALA 190 CO 0.01 0.08 2.87 -3.47 0.00 0.00 0.00 175.76 175.25 1pdh n ASP 191 N 1.65 7.14 -4.31 0.00 2.03 -1.26 -1.37 116.55 120.43 1pdh n ASP 191 Ca -0.21 -2.92 -0.18 0.00 0.52 0.00 0.00 54.79 52.01 1pdh n ASP 191 Cb 0.55 -1.37 -0.10 0.00 -0.72 0.00 0.00 41.12 39.47 1pdh n ASP 191 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1pdh s THR 192 N -0.42 1.60 0.33 5.18 -4.23 -1.09 -4.80 115.64 112.21 1pdh s THR 192 Ca 0.61 -2.08 -0.29 0.00 -1.18 0.00 0.00 61.69 58.75 1pdh s THR 192 Cb 0.27 -1.92 -0.10 0.00 1.34 0.00 0.00 72.50 72.10 1pdh s THR 192 CO -0.11 -0.56 1.27 -2.84 -0.54 0.00 0.00 174.62 171.84 1pdh s PRO 193 N -3.42 4.37 0.61 3.99 0.02 -1.26 -2.39 135.00 136.91 1pdh s PRO 193 Ca 0.19 2.14 -0.19 0.00 0.02 0.00 0.00 61.00 63.15 1pdh s PRO 193 Cb -0.01 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.42 1pdh s PRO 193 CO 0.05 -0.15 1.28 -2.14 -0.33 0.00 0.00 177.00 175.71 1pdh s PRO 194 N -1.79 2.82 0.28 5.54 0.02 -1.26 -4.63 135.00 135.98 1pdh s PRO 194 Ca 0.49 2.02 0.26 0.00 0.02 0.00 0.00 61.00 63.79 1pdh s PRO 194 Cb -0.38 -1.97 0.90 0.00 0.02 0.00 0.00 34.50 33.07 1pdh s PRO 194 CO 0.50 -1.38 1.76 -0.24 -0.33 0.00 0.00 177.00 177.31 1pdh h VAL 195 N 0.86 0.00 -3.74 3.83 3.04 -1.90 -3.45 116.25 114.88 1pdh h VAL 195 Ca -0.51 -0.42 -0.09 0.00 -1.01 0.00 0.00 66.70 64.67 1pdh h VAL 195 Cb 1.32 1.31 -0.15 0.00 -2.01 0.00 0.00 31.29 31.75 1pdh h VAL 195 CO 0.55 0.00 -0.38 -0.55 -1.01 0.00 0.00 177.57 176.17 1pdh s SER 196 N -4.66 0.10 0.00 3.17 0.15 -1.26 -4.93 113.70 106.28 1pdh s SER 196 Ca 0.07 -0.57 0.29 0.00 0.70 0.00 0.00 55.95 56.43 1pdh s SER 196 Cb 0.10 0.32 1.20 0.00 -1.71 0.00 0.00 66.02 65.93 1pdh s SER 196 CO 0.51 -0.67 1.85 1.41 1.20 0.00 0.00 173.24 177.54 1pdh n HIS 197 N 0.18 0.00 -4.18 3.44 -0.00 -1.26 -4.80 115.22 108.59 1pdh n HIS 197 Ca -0.16 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.45 1pdh n HIS 197 Cb 0.61 -0.23 -0.10 0.00 -0.00 0.00 0.00 29.99 30.28 1pdh n HIS 197 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1pdh s GLU 198 N -2.57 0.92 0.45 -0.41 2.02 -1.26 -4.99 118.70 112.86 1pdh s GLU 198 Ca 0.26 -1.41 -0.23 0.00 0.02 0.00 0.00 54.97 53.61 1pdh s GLU 198 Cb 0.20 -0.11 -0.08 0.00 0.10 0.00 0.00 34.13 34.24 1pdh s GLU 198 CO 0.50 -0.11 1.10 -0.51 0.02 0.00 0.00 175.26 176.26 1pdh s LEU 199 N -3.08 4.01 -0.22 1.80 1.02 -1.26 -4.89 118.68 116.07 1pdh s LEU 199 Ca 0.18 2.14 0.01 0.00 0.02 0.00 0.00 54.13 56.47 1pdh s LEU 199 Cb 0.06 -4.29 0.05 0.00 0.02 0.00 0.00 46.19 42.03 1pdh s LEU 199 CO -0.01 -0.76 -0.07 -0.63 0.02 0.00 0.00 176.35 174.90 1pdh s ILE 200 N -1.67 1.52 -0.16 -0.59 1.01 -0.89 -0.69 121.20 119.73 1pdh s ILE 200 Ca 0.63 -1.12 -0.15 0.00 0.00 0.00 0.00 60.65 60.00 1pdh s ILE 200 Cb -0.24 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 1pdh s ILE 200 CO 0.29 -0.02 0.36 -0.31 0.00 0.00 0.00 174.94 175.27 1pdh s TYR 201 N 1.41 3.46 -0.10 3.97 1.51 -0.36 -0.94 117.35 126.30 1pdh s TYR 201 Ca -0.04 0.68 0.02 0.00 -1.01 0.00 0.00 57.07 56.72 1pdh s TYR 201 Cb -0.18 -2.44 0.01 0.00 -0.11 0.00 0.00 41.96 39.24 1pdh s TYR 201 CO -0.07 0.17 -0.16 0.00 -1.11 0.00 0.00 175.55 174.38 1pdh s ALA 202 N 0.69 1.68 -0.32 3.71 0.00 0.97 -0.94 121.76 127.56 1pdh s ALA 202 Ca 0.20 -0.70 -0.12 0.00 0.00 0.00 0.00 51.96 51.34 1pdh s ALA 202 Cb -0.14 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 1pdh s ALA 202 CO 0.06 0.05 0.21 1.21 0.00 0.00 0.00 175.76 177.30 1pdh s ASN 203 N 0.76 5.98 0.11 0.00 3.84 -0.06 -1.67 114.94 123.91 1pdh s ASN 203 Ca -0.11 -0.31 0.07 0.00 0.21 0.00 0.00 52.86 52.71 1pdh s ASN 203 Cb -0.16 -2.12 -0.04 0.00 -0.55 0.00 0.00 41.25 38.39 1pdh s ASN 203 CO 0.02 -0.17 -0.16 -2.28 -2.79 0.00 0.00 177.10 171.72 1pdh s HIS 204 N 1.72 1.50 0.47 0.43 5.65 -1.18 -4.36 115.29 119.53 1pdh s HIS 204 Ca 0.06 -0.49 0.17 0.00 0.25 0.00 0.00 55.06 55.05 1pdh s HIS 204 Cb -0.17 -0.80 1.16 0.00 -1.18 0.00 0.00 32.58 31.60 1pdh s HIS 204 CO 0.10 0.17 2.02 -1.35 -0.65 0.00 0.00 174.74 175.03 1pdh h PRO 205 N 3.75 0.23 0.00 2.88 0.11 -1.96 0.71 132.00 137.72 1pdh h PRO 205 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1pdh h PRO 205 Cb 1.19 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1pdh h PRO 205 CO 0.46 0.15 0.00 0.54 -0.21 0.00 0.00 178.00 178.94 1pdh n ARG 206 N -4.46 0.06 0.00 1.05 1.74 -1.26 -4.99 116.66 108.80 1pdh n ARG 206 Ca 0.07 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 1pdh n ARG 206 Cb 0.37 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 1pdh n ARG 206 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pdh n GLY 207 N 0.86 2.84 3.77 -0.13 0.00 0.24 -5.00 105.19 107.77 1pdh n GLY 207 Ca 0.05 -1.98 -0.36 0.00 0.00 0.00 0.00 46.02 43.74 1pdh n GLY 207 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1pdh s PHE 208 N -2.01 2.56 -0.03 1.61 5.36 -1.26 -3.12 117.98 121.09 1pdh s PHE 208 Ca 0.00 1.53 -0.08 0.00 -0.96 0.00 0.00 56.93 57.42 1pdh s PHE 208 Cb 0.00 -3.38 0.01 0.00 -0.34 0.00 0.00 43.02 39.31 1pdh s PHE 208 CO 0.00 -1.84 0.19 0.00 -1.46 0.00 0.00 175.22 172.10 1pdh s ALA 209 N -1.68 -0.46 -0.04 11.12 0.00 -0.67 -1.21 121.76 128.82 1pdh s ALA 209 Ca 0.74 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.92 1pdh s ALA 209 Cb -0.27 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 22.80 1pdh s ALA 209 CO 0.30 -0.17 -0.01 -1.17 0.00 0.00 0.00 175.76 174.71 1pdh s LEU 210 N -0.76 1.10 -0.34 0.00 2.96 -0.46 -0.02 118.68 121.17 1pdh s LEU 210 Ca -0.09 -0.05 -0.08 0.00 -0.22 0.00 0.00 54.13 53.69 1pdh s LEU 210 Cb -0.05 -0.28 0.02 0.00 0.50 0.00 0.00 46.19 46.38 1pdh s LEU 210 CO 0.01 -0.11 0.14 0.00 -1.32 0.00 0.00 176.35 175.08 1pdh n SER 212 N 4.91 1.39 -3.68 0.00 2.88 0.75 -2.09 113.62 117.77 1pdh n SER 212 Ca -0.13 -1.17 -0.08 0.00 -1.33 0.00 0.00 58.87 56.16 1pdh n SER 212 Cb 0.46 0.06 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 1pdh n SER 212 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pdh s GLN 213 N -2.13 1.81 0.00 -1.46 -2.07 -1.26 -1.98 119.66 112.58 1pdh s GLN 213 Ca 0.01 -1.21 0.00 0.00 -1.82 0.00 0.00 55.36 52.34 1pdh s GLN 213 Cb 0.00 0.56 0.00 0.00 -1.09 0.00 0.00 33.01 32.48 1pdh s GLN 213 CO 0.01 -0.81 0.00 0.54 -1.32 0.00 0.00 175.29 173.71 1pdh n ARG 214 N -0.46 2.33 -1.00 9.60 5.12 0.84 -4.71 116.66 128.39 1pdh n ARG 214 Ca -0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 1pdh n ARG 214 Cb 0.60 -0.79 0.00 0.00 -1.16 0.00 0.00 32.46 31.11 1pdh n ARG 214 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1pdh n SER 215 N -1.35 0.00 0.20 0.55 3.41 -1.01 -4.73 113.62 110.70 1pdh n SER 215 Ca 0.00 -0.85 0.14 0.00 -0.26 0.00 0.00 58.87 57.90 1pdh n SER 215 Cb 0.28 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.67 1pdh n SER 215 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pdh h ALA 216 N 2.00 1.00 0.00 7.33 0.00 -1.96 -3.16 119.26 124.47 1pdh h ALA 216 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1pdh h ALA 216 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1pdh h ALA 216 CO 0.00 0.00 -0.26 0.25 0.00 0.00 0.00 179.25 179.24 1pdh n THR 217 N -2.74 1.32 -3.65 0.00 -2.24 -1.26 -4.24 114.28 101.47 1pdh n THR 217 Ca 0.03 -1.73 -0.17 0.00 -2.27 0.00 0.00 64.05 59.90 1pdh n THR 217 Cb 0.38 0.03 -0.16 0.00 -2.10 0.00 0.00 70.33 68.48 1pdh n THR 217 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1pdh s ARG 218 N -2.00 0.04 0.21 -0.78 3.52 -1.01 -2.66 118.95 116.28 1pdh s ARG 218 Ca 0.25 0.52 0.08 0.00 -0.13 0.00 0.00 55.73 56.44 1pdh s ARG 218 Cb 0.23 -0.38 -0.04 0.00 -1.56 0.00 0.00 34.95 33.19 1pdh s ARG 218 CO -0.00 -0.34 0.04 -1.12 -0.81 0.00 0.00 175.30 173.07 1pdh s SER 219 N 2.29 4.90 -0.10 -2.12 0.01 -0.47 -0.11 113.70 118.10 1pdh s SER 219 Ca 0.03 -0.42 -0.03 0.00 1.31 0.00 0.00 55.95 56.84 1pdh s SER 219 Cb -0.12 -1.07 0.04 0.00 0.21 0.00 0.00 66.02 65.08 1pdh s SER 219 CO -0.06 0.04 0.07 -0.60 0.41 0.00 0.00 173.24 173.10 1pdh s ARG 220 N -3.31 -0.01 0.21 12.44 6.06 -0.84 -1.66 118.95 131.85 1pdh s ARG 220 Ca 0.30 0.18 0.11 0.00 -2.50 0.00 0.00 55.73 53.82 1pdh s ARG 220 Cb -0.08 -1.08 -0.05 0.00 0.06 0.00 0.00 34.95 33.81 1pdh s ARG 220 CO 0.20 -0.47 -0.21 0.71 -2.50 0.00 0.00 175.30 173.03 1pdh s TYR 221 N 2.15 2.33 0.00 5.12 2.02 -0.52 -0.18 117.35 128.29 1pdh s TYR 221 Ca 0.04 -0.34 -0.05 0.00 -0.37 0.00 0.00 57.07 56.35 1pdh s TYR 221 Cb -0.14 -1.12 -0.00 0.00 -0.40 0.00 0.00 41.96 40.30 1pdh s TYR 221 CO -0.06 0.56 0.09 0.71 -1.57 0.00 0.00 175.55 175.28 1pdh s TYR 222 N -1.89 0.09 0.00 2.71 2.02 -0.69 -0.42 117.35 119.18 1pdh s TYR 222 Ca 0.23 -0.21 0.01 0.00 -0.37 0.00 0.00 57.07 56.73 1pdh s TYR 222 Cb -0.07 -0.08 -0.01 0.00 -0.40 0.00 0.00 41.96 41.40 1pdh s TYR 222 CO 0.12 -0.25 -0.03 0.14 -1.57 0.00 0.00 175.55 173.96 1pdh s VAL 223 N -1.33 0.21 0.24 0.71 -7.23 -0.29 -1.35 120.40 111.36 1pdh s VAL 223 Ca -0.14 -0.25 -0.30 0.00 -1.81 0.00 0.00 61.98 59.48 1pdh s VAL 223 Cb -0.08 -0.21 -0.09 0.00 0.56 0.00 0.00 36.38 36.56 1pdh s VAL 223 CO 0.01 -0.03 1.23 -1.58 -0.31 0.00 0.00 175.10 174.42 1pdh s GLN 224 N -0.29 4.47 0.03 4.82 0.74 -0.35 -0.54 119.66 128.53 1pdh s GLN 224 Ca -0.01 1.97 -0.04 0.00 0.05 0.00 0.00 55.36 57.33 1pdh s GLN 224 Cb -0.02 -3.18 -0.01 0.00 1.10 0.00 0.00 33.01 30.89 1pdh s GLN 224 CO -0.00 -0.09 0.05 0.14 -0.55 0.00 0.00 175.29 174.85 1pdh s VAL 225 N -0.47 0.12 0.66 1.34 -7.23 -0.55 -4.79 120.40 109.49 1pdh s VAL 225 Ca 0.51 -1.03 -0.17 0.00 -1.81 0.00 0.00 61.98 59.49 1pdh s VAL 225 Cb -0.35 -0.66 0.00 0.00 0.56 0.00 0.00 36.38 35.93 1pdh s VAL 225 CO 0.41 -0.57 1.20 -2.84 -0.31 0.00 0.00 175.10 172.99 1pdh s PRO 226 N -2.13 2.59 0.00 4.82 0.02 -1.26 -0.32 135.00 138.71 1pdh s PRO 226 Ca -0.09 1.74 0.08 0.00 0.02 0.00 0.00 61.00 62.75 1pdh s PRO 226 Cb -0.04 -1.89 0.35 0.00 0.02 0.00 0.00 34.50 32.93 1pdh s PRO 226 CO -0.03 -1.49 1.24 1.28 -0.33 0.00 0.00 177.00 177.67 1pdh n LEU 227 N -2.20 0.00 0.02 -5.54 4.77 -1.26 -2.23 117.00 110.57 1pdh n LEU 227 Ca 0.13 0.47 0.13 0.00 -0.03 0.00 0.00 56.01 56.71 1pdh n LEU 227 Cb 0.50 -0.47 0.40 0.00 -2.33 0.00 0.00 43.42 41.52 1pdh n LEU 227 CO 0.46 -0.34 0.69 0.35 -1.33 0.00 0.00 177.39 177.22 1pdh n THR 228 N -1.47 0.12 -2.48 -5.08 -2.24 -1.26 -4.91 114.28 96.95 1pdh n THR 228 Ca 0.02 -0.07 -0.33 0.00 -2.27 0.00 0.00 64.05 61.40 1pdh n THR 228 Cb 0.09 -0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.09 1pdh n THR 228 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1pdh s GLU 229 N -3.03 3.81 -0.04 -0.78 0.41 -0.95 -5.07 118.70 113.06 1pdh s GLU 229 Ca 0.11 1.23 0.04 0.00 -0.41 0.00 0.00 54.97 55.95 1pdh s GLU 229 Cb 0.17 -2.10 -0.00 0.00 -1.78 0.00 0.00 34.13 30.41 1pdh s GLU 229 CO 0.62 -0.41 -0.17 -1.59 -0.49 0.00 0.00 175.26 173.23 1pdh s LYS 230 N -3.49 1.68 0.46 1.61 -2.85 -1.26 -5.03 119.74 110.85 1pdh s LYS 230 Ca 0.64 -0.60 0.26 0.00 -1.00 0.00 0.00 55.97 55.27 1pdh s LYS 230 Cb -0.14 -1.49 1.29 0.00 -2.06 0.00 0.00 37.83 35.43 1pdh s LYS 230 CO 0.23 0.26 1.79 -0.24 0.10 0.00 0.00 175.35 177.50 1pdh h VAL 231 N 5.16 0.49 0.00 1.79 3.04 -1.97 0.26 116.25 125.01 1pdh h VAL 231 Ca -0.33 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 1pdh h VAL 231 Cb 1.17 0.24 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 1pdh h VAL 231 CO 0.48 0.04 0.00 -1.84 -1.01 0.00 0.00 177.57 175.24 1pdh n GLU 232 N -4.45 0.11 0.00 4.17 0.00 -1.26 -0.84 120.64 118.37 1pdh n GLU 232 Ca 0.25 0.44 0.13 0.00 0.00 0.00 0.00 57.16 57.98 1pdh n GLU 232 Cb 1.01 -1.75 0.51 0.00 0.00 0.00 0.00 31.44 31.20 1pdh n GLU 232 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1pdh n ASP 233 N -1.97 0.25 -4.05 -1.84 8.00 0.93 -4.65 116.55 113.21 1pdh n ASP 233 Ca 0.01 0.04 -0.34 0.00 0.71 0.00 0.00 54.79 55.21 1pdh n ASP 233 Cb 0.15 -0.17 -0.12 0.00 -0.02 0.00 0.00 41.12 40.95 1pdh n ASP 233 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1pdh s TRP 234 N -2.88 3.48 0.87 1.24 0.52 -0.02 -5.04 118.94 117.12 1pdh s TRP 234 Ca 0.16 -2.80 -0.12 0.00 0.02 0.00 0.00 56.10 53.37 1pdh s TRP 234 Cb 0.19 -3.07 0.11 0.00 -1.15 0.00 0.00 33.47 29.55 1pdh s TRP 234 CO 0.57 -0.88 1.10 -1.54 0.02 0.00 0.00 176.95 176.22 1pdh s SER 235 N 0.83 3.76 0.20 2.95 1.04 -1.26 -4.82 113.70 116.41 1pdh s SER 235 Ca 0.13 1.37 -0.10 0.00 0.48 0.00 0.00 55.95 57.83 1pdh s SER 235 Cb -0.22 -2.06 0.18 0.00 0.10 0.00 0.00 66.02 64.02 1pdh s SER 235 CO -0.04 -2.44 1.84 0.44 0.98 0.00 0.00 173.24 174.02 1pdh h ASP 236 N -1.41 0.69 -0.68 7.02 3.32 -1.97 -1.28 116.42 122.10 1pdh h ASP 236 Ca -0.49 0.00 0.09 0.00 0.02 0.00 0.00 57.03 56.65 1pdh h ASP 236 Cb 1.28 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 40.62 1pdh h ASP 236 CO 0.57 0.48 0.34 -0.08 -1.72 0.00 0.00 179.24 178.82 1pdh h GLU 237 N 0.82 0.57 -0.48 3.56 4.81 -1.95 -1.19 114.58 120.73 1pdh h GLU 237 Ca 0.28 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.38 1pdh h GLU 237 Cb 0.03 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1pdh h GLU 237 CO -0.11 0.38 -0.05 -0.09 -0.73 0.00 0.00 179.01 178.41 1pdh h ARG 238 N 0.59 0.87 0.23 1.92 2.43 -1.68 -2.57 114.38 116.17 1pdh h ARG 238 Ca 0.33 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1pdh h ARG 238 Cb 0.33 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1pdh h ARG 238 CO -0.25 0.94 -0.12 0.35 -1.51 0.00 0.00 179.97 179.37 1pdh h PHE 239 N 0.72 -0.31 -0.60 2.20 3.57 -0.61 -2.01 116.94 119.90 1pdh h PHE 239 Ca 0.13 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.67 1pdh h PHE 239 Cb 0.58 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.38 1pdh h PHE 239 CO 0.04 -0.19 0.34 -1.49 -2.23 0.00 0.00 178.31 174.78 1pdh h TRP 240 N -0.32 0.62 -0.66 0.41 -0.00 -1.21 0.12 115.95 114.91 1pdh h TRP 240 Ca -0.03 0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 58.87 1pdh h TRP 240 Cb 0.26 -0.19 -0.03 0.00 -0.00 0.00 0.00 29.16 29.20 1pdh h TRP 240 CO -0.07 0.32 0.36 1.15 -0.00 0.00 0.00 178.44 180.20 1pdh h THR 241 N 0.64 1.21 -0.33 1.49 2.02 -1.42 -1.19 112.91 115.32 1pdh h THR 241 Ca 0.26 -0.51 -0.08 0.00 0.77 0.00 0.00 66.41 66.84 1pdh h THR 241 Cb 0.11 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1pdh h THR 241 CO -0.15 0.22 -0.11 -0.08 0.37 0.00 0.00 175.52 175.78 1pdh h GLU 242 N 0.90 0.66 0.01 6.66 4.57 -0.72 -2.34 114.58 124.33 1pdh h GLU 242 Ca 0.23 -0.27 0.02 0.00 -1.18 0.00 0.00 59.36 58.17 1pdh h GLU 242 Cb 0.04 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 1pdh h GLU 242 CO -0.04 0.85 -0.15 1.25 -1.18 0.00 0.00 179.01 179.73 1pdh h LEU 243 N 0.44 -0.44 -1.15 1.64 6.46 -0.57 -2.27 115.31 119.42 1pdh h LEU 243 Ca 0.08 0.06 0.07 0.00 -0.12 0.00 0.00 57.88 57.98 1pdh h LEU 243 Cb 0.62 0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 40.67 1pdh h LEU 243 CO 0.04 -0.21 0.59 0.11 -0.62 0.00 0.00 178.44 178.34 1pdh h LYS 244 N -0.26 0.98 0.00 1.25 1.57 -1.18 -0.53 116.57 118.40 1pdh h LYS 244 Ca 0.05 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1pdh h LYS 244 Cb 0.32 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1pdh h LYS 244 CO -0.14 0.65 -0.05 0.00 -0.57 0.00 0.00 179.45 179.34 1pdh h ALA 245 N 1.52 1.09 -0.03 3.86 0.00 -0.85 -2.60 119.26 122.25 1pdh h ALA 245 Ca 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1pdh h ALA 245 Cb 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1pdh h ALA 245 CO -0.16 0.06 -0.01 0.54 0.00 0.00 0.00 179.25 179.68 1pdh n ARG 246 N -3.28 2.24 -4.19 0.00 1.74 -0.23 -4.98 116.66 107.97 1pdh n ARG 246 Ca -0.01 -1.82 -0.24 0.00 -0.77 0.00 0.00 57.85 55.01 1pdh n ARG 246 Cb 0.22 -1.46 -0.06 0.00 -1.02 0.00 0.00 32.46 30.13 1pdh n ARG 246 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pdh s LEU 247 N -2.01 3.49 0.35 0.55 1.43 -0.98 -4.72 118.68 116.79 1pdh s LEU 247 Ca 0.29 -0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 52.70 1pdh s LEU 247 Cb 0.20 -2.06 -0.11 0.00 0.03 0.00 0.00 46.19 44.26 1pdh s LEU 247 CO 0.31 0.01 1.48 -2.84 0.23 0.00 0.00 176.35 175.54 1pdh s PRO 248 N -3.52 4.15 0.28 1.29 0.02 -1.26 -4.71 135.00 131.26 1pdh s PRO 248 Ca 0.31 2.51 0.02 0.00 0.02 0.00 0.00 61.00 63.86 1pdh s PRO 248 Cb -0.08 -3.00 0.69 0.00 0.02 0.00 0.00 34.50 32.14 1pdh s PRO 248 CO 0.22 -0.50 1.66 0.00 -0.33 0.00 0.00 177.00 178.05 1pdh h ALA 249 N 3.50 1.29 0.00 -1.55 0.00 -1.98 0.13 119.26 120.65 1pdh h ALA 249 Ca -0.50 0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1pdh h ALA 249 Cb 1.23 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1pdh h ALA 249 CO 0.68 -0.43 -0.24 1.05 0.00 0.00 0.00 179.25 180.31 1pdh h GLU 250 N 0.26 0.00 0.00 0.00 9.09 -1.99 -0.76 114.58 121.18 1pdh h GLU 250 Ca 0.54 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.95 1pdh h GLU 250 Cb 1.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.17 1pdh h GLU 250 CO -0.61 0.24 -0.00 0.28 0.05 0.00 0.00 179.01 178.97 1pdh h VAL 251 N 0.00 1.69 -0.77 -1.06 2.07 -1.21 -3.29 116.25 113.68 1pdh h VAL 251 Ca -0.00 -2.16 0.17 0.00 0.82 0.00 0.00 66.70 65.53 1pdh h VAL 251 Cb 0.44 3.13 -0.05 0.00 -1.52 0.00 0.00 31.29 33.30 1pdh h VAL 251 CO 0.03 0.55 0.52 0.00 0.02 0.00 0.00 177.57 178.69 1pdh h ALA 252 N 0.02 2.26 0.00 1.67 0.00 -0.75 -0.50 119.26 121.95 1pdh h ALA 252 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pdh h ALA 252 Cb 0.91 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1pdh h ALA 252 CO 0.00 -0.47 0.00 1.05 0.00 0.00 0.00 179.25 179.83 1pdh h GLU 253 N 0.31 0.00 0.00 0.00 4.11 -1.25 -3.15 114.58 114.61 1pdh h GLU 253 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.81 1pdh h GLU 253 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 1pdh h GLU 253 CO -0.10 0.00 -0.67 1.63 0.07 0.00 0.00 179.01 179.94 1pdh n LYS 254 N -2.82 0.22 -1.75 1.06 4.01 -0.22 -4.94 118.16 113.72 1pdh n LYS 254 Ca 0.04 0.05 -0.42 0.00 -0.51 0.00 0.00 58.31 57.47 1pdh n LYS 254 Cb 0.46 -1.62 -0.03 0.00 -0.51 0.00 0.00 35.03 33.33 1pdh n LYS 254 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1pdh s LEU 255 N -3.85 4.41 -0.28 -0.35 2.96 -1.07 -4.90 118.68 115.59 1pdh s LEU 255 Ca 0.07 2.62 -0.13 0.00 -0.22 0.00 0.00 54.13 56.47 1pdh s LEU 255 Cb 0.15 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 1pdh s LEU 255 CO 0.73 -1.01 0.27 -0.69 -1.32 0.00 0.00 176.35 174.33 1pdh s VAL 256 N 3.83 5.25 0.49 1.68 1.01 -1.26 -5.08 120.40 126.33 1pdh s VAL 256 Ca 0.83 0.31 0.08 0.00 0.00 0.00 0.00 61.98 63.20 1pdh s VAL 256 Cb -0.42 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.38 1pdh s VAL 256 CO 0.38 0.19 0.59 0.42 0.00 0.00 0.00 175.10 176.68 1pdh s THR 257 N 1.89 2.44 0.00 3.92 -4.23 -1.26 -4.77 115.64 113.63 1pdh s THR 257 Ca 0.10 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 1pdh s THR 257 Cb -0.16 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.11 1pdh s THR 257 CO 0.11 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.80 1pdh n GLY 258 N -1.92 -0.29 3.77 3.99 0.00 -1.26 -4.98 105.19 104.49 1pdh n GLY 258 Ca 0.09 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.73 1pdh n GLY 258 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1pdh s PRO 259 N -2.00 4.07 0.31 1.61 0.02 -1.26 -4.96 135.00 132.78 1pdh s PRO 259 Ca 0.00 2.24 -0.28 0.00 0.02 0.00 0.00 61.00 62.97 1pdh s PRO 259 Cb 0.00 -2.86 -0.09 0.00 0.02 0.00 0.00 34.50 31.57 1pdh s PRO 259 CO 0.00 -0.44 1.10 -1.54 -0.33 0.00 0.00 177.00 175.79 1pdh s SER 260 N -0.59 7.10 -0.10 2.53 1.04 -1.26 -4.37 113.70 118.05 1pdh s SER 260 Ca 0.55 2.25 0.09 0.00 0.48 0.00 0.00 55.95 59.32 1pdh s SER 260 Cb -0.40 -2.62 -0.24 0.00 0.10 0.00 0.00 66.02 62.87 1pdh s SER 260 CO 0.52 -0.26 0.44 0.18 0.98 0.00 0.00 173.24 175.10 1pdh n LEU 261 N 0.86 1.18 -3.72 2.42 4.77 0.19 -4.96 117.00 117.73 1pdh n LEU 261 Ca 0.00 0.26 -0.14 0.00 -0.03 0.00 0.00 56.01 56.11 1pdh n LEU 261 Cb 0.46 -0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 41.37 1pdh n LEU 261 CO 0.52 0.53 0.09 -0.70 -1.33 0.00 0.00 177.39 176.51 1pdh s GLU 262 N -2.57 0.67 -0.25 3.23 -6.30 -1.18 -4.98 118.70 107.32 1pdh s GLU 262 Ca -0.11 0.06 -0.13 0.00 -2.50 0.00 0.00 54.97 52.29 1pdh s GLU 262 Cb 0.07 0.31 0.08 0.00 0.00 0.00 0.00 34.13 34.59 1pdh s GLU 262 CO 0.80 -0.17 0.60 0.21 0.02 0.00 0.00 175.26 176.72 1pdh s LYS 263 N -0.91 0.59 0.11 4.30 2.20 -1.26 -0.44 119.74 124.33 1pdh s LYS 263 Ca -0.10 1.14 -0.25 0.00 -0.36 0.00 0.00 55.97 56.40 1pdh s LYS 263 Cb -0.04 0.21 0.07 0.00 -1.51 0.00 0.00 37.83 36.57 1pdh s LYS 263 CO 0.04 -0.17 0.81 -1.54 -0.36 0.00 0.00 175.35 174.13 1pdh s SER 264 N 1.82 -0.36 -0.14 1.43 1.04 -0.87 -5.00 113.70 111.62 1pdh s SER 264 Ca -0.09 -0.17 -0.02 0.00 0.48 0.00 0.00 55.95 56.15 1pdh s SER 264 Cb -0.07 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 1pdh s SER 264 CO -0.18 -0.87 -0.09 -0.63 0.98 0.00 0.00 173.24 172.46 1pdh s ILE 265 N -3.42 3.43 -0.13 -1.02 1.01 -1.26 -0.82 121.20 118.99 1pdh s ILE 265 Ca 0.06 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.20 1pdh s ILE 265 Cb -0.02 -2.47 0.02 0.00 0.01 0.00 0.00 42.46 40.00 1pdh s ILE 265 CO -0.05 0.51 -0.16 0.00 0.00 0.00 0.00 174.94 175.24 1pdh s ALA 266 N 0.39 1.81 0.62 9.38 0.00 -0.19 -4.94 121.76 128.82 1pdh s ALA 266 Ca -0.07 -0.83 -0.14 0.00 0.00 0.00 0.00 51.96 50.91 1pdh s ALA 266 Cb -0.15 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 22.01 1pdh s ALA 266 CO 0.04 -0.18 1.05 -1.25 0.00 0.00 0.00 175.76 175.42 1pdh s PRO 267 N 1.15 3.25 -0.08 0.00 0.04 -1.26 -0.09 135.00 138.01 1pdh s PRO 267 Ca -0.02 1.13 -0.08 0.00 0.04 0.00 0.00 61.00 62.06 1pdh s PRO 267 Cb -0.14 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1pdh s PRO 267 CO -0.05 -0.86 0.20 -0.51 0.04 0.00 0.00 177.00 175.82 1pdh s LEU 268 N -4.74 4.41 0.00 -3.56 1.02 -1.13 -4.87 118.68 109.81 1pdh s LEU 268 Ca 0.62 0.57 -0.28 0.00 0.02 0.00 0.00 54.13 55.06 1pdh s LEU 268 Cb -0.15 -2.23 0.07 0.00 0.02 0.00 0.00 46.19 43.90 1pdh s LEU 268 CO 0.41 0.38 0.64 -0.60 0.02 0.00 0.00 176.35 177.20 1pdh s ARG 269 N -1.11 1.09 -0.03 1.70 3.52 -1.26 -1.65 118.95 121.21 1pdh s ARG 269 Ca 0.18 0.07 0.07 0.00 -0.13 0.00 0.00 55.73 55.91 1pdh s ARG 269 Cb -0.13 0.51 -0.02 0.00 -1.56 0.00 0.00 34.95 33.75 1pdh s ARG 269 CO 0.07 -0.38 -0.24 -1.12 -0.81 0.00 0.00 175.30 172.82 1pdh s SER 270 N -1.56 3.17 -0.27 -2.12 0.01 0.34 -2.48 113.70 110.79 1pdh s SER 270 Ca -0.08 -0.45 -0.17 0.00 1.31 0.00 0.00 55.95 56.56 1pdh s SER 270 Cb -0.00 -0.54 0.08 0.00 0.21 0.00 0.00 66.02 65.77 1pdh s SER 270 CO 0.04 0.30 0.67 0.12 0.41 0.00 0.00 173.24 174.79 1pdh s PHE 271 N -0.50 -1.00 -0.03 2.43 2.19 -0.24 -1.45 117.98 119.38 1pdh s PHE 271 Ca 0.06 2.05 -0.02 0.00 0.33 0.00 0.00 56.93 59.36 1pdh s PHE 271 Cb -0.11 0.57 0.01 0.00 -1.31 0.00 0.00 43.02 42.18 1pdh s PHE 271 CO 0.00 -0.50 0.07 0.08 1.83 0.00 0.00 175.22 176.70 1pdh s VAL 272 N 1.47 -0.01 0.02 3.12 1.01 0.05 -0.41 120.40 125.65 1pdh s VAL 272 Ca -0.09 0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.00 1pdh s VAL 272 Cb -0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 36.38 36.20 1pdh s VAL 272 CO -0.17 0.01 -0.24 0.54 0.00 0.00 0.00 175.10 175.24 1pdh s VAL 273 N 0.17 1.91 -0.04 2.92 0.11 -1.07 -0.56 120.40 123.85 1pdh s VAL 273 Ca -0.01 -1.19 0.01 0.00 -2.93 0.00 0.00 61.98 57.85 1pdh s VAL 273 Cb -0.02 -1.62 0.02 0.00 -1.53 0.00 0.00 36.38 33.23 1pdh s VAL 273 CO -0.00 0.39 -0.02 -1.61 -3.33 0.00 0.00 175.10 170.53 1pdh s GLU 274 N -0.95 0.55 0.00 1.54 2.02 0.17 -4.45 118.70 117.59 1pdh s GLU 274 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 54.97 55.09 1pdh s GLU 274 Cb -0.09 -0.68 0.00 0.00 0.10 0.00 0.00 34.13 33.46 1pdh s GLU 274 CO 0.01 -0.13 0.00 -0.35 0.02 0.00 0.00 175.26 174.81 1pdh n PRO 275 N 4.19 -0.17 -0.32 0.39 -0.04 -1.26 -0.50 135.00 137.29 1pdh n PRO 275 Ca -0.24 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.30 1pdh n PRO 275 Cb 0.51 0.00 0.18 0.00 -0.04 0.00 0.00 33.50 34.14 1pdh n PRO 275 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1pdh n MET 276 N -1.01 1.63 -3.74 0.54 2.81 -1.26 -4.88 117.12 111.20 1pdh n MET 276 Ca 0.00 -2.86 -0.10 0.00 -1.81 0.00 0.00 57.70 52.93 1pdh n MET 276 Cb 0.00 -1.61 -0.04 0.00 -0.71 0.00 0.00 33.22 30.87 1pdh n MET 276 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1pdh s GLN 277 N -3.00 1.36 -0.30 0.03 -2.07 -1.26 -0.70 119.66 113.72 1pdh s GLN 277 Ca 0.36 -0.87 -0.02 0.00 -1.82 0.00 0.00 55.36 53.01 1pdh s GLN 277 Cb 0.32 0.51 0.19 0.00 -1.09 0.00 0.00 33.01 32.95 1pdh s GLN 277 CO 0.01 -0.58 0.65 -1.58 -1.32 0.00 0.00 175.29 172.48 1pdh s HIS 278 N -3.87 -1.50 0.00 9.60 2.46 -0.19 -5.01 115.29 116.78 1pdh s HIS 278 Ca 0.09 1.52 0.00 0.00 0.47 0.00 0.00 55.06 57.14 1pdh s HIS 278 Cb -0.01 0.50 0.00 0.00 -0.13 0.00 0.00 32.58 32.94 1pdh s HIS 278 CO -0.03 -0.83 0.00 0.41 -2.47 0.00 0.00 174.74 171.83 1pdh n GLY 279 N 5.43 3.81 0.64 1.59 0.00 -1.26 -1.49 105.19 113.90 1pdh n GLY 279 Ca -0.01 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.06 1pdh n GLY 279 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pdh n ARG 280 N 13.81 1.81 -4.18 1.61 5.12 0.66 -4.85 116.66 130.64 1pdh n ARG 280 Ca 0.00 -1.25 -0.34 0.00 -1.93 0.00 0.00 57.85 54.33 1pdh n ARG 280 Cb 0.00 -1.30 -0.11 0.00 -1.16 0.00 0.00 32.46 29.89 1pdh n ARG 280 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1pdh s LEU 281 N -1.11 3.58 -0.10 0.55 2.96 -0.56 -0.76 118.68 123.24 1pdh s LEU 281 Ca 0.26 -0.00 0.02 0.00 -0.22 0.00 0.00 54.13 54.18 1pdh s LEU 281 Cb 0.13 -1.89 0.01 0.00 0.50 0.00 0.00 46.19 44.95 1pdh s LEU 281 CO 0.18 0.18 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.88 1pdh s PHE 282 N 0.33 1.96 0.19 5.38 0.40 -0.43 -1.02 117.98 124.79 1pdh s PHE 282 Ca 0.00 -0.90 -0.14 0.00 -0.60 0.00 0.00 56.93 55.29 1pdh s PHE 282 Cb -0.13 -1.41 -0.07 0.00 0.51 0.00 0.00 43.02 41.92 1pdh s PHE 282 CO 0.01 -0.46 0.59 -0.51 0.70 0.00 0.00 175.22 175.55 1pdh s LEU 283 N 0.92 4.28 -0.06 -0.37 1.43 0.12 0.10 118.68 125.11 1pdh s LEU 283 Ca -0.08 1.10 -0.13 0.00 -1.03 0.00 0.00 54.13 54.00 1pdh s LEU 283 Cb -0.15 -3.46 0.03 0.00 0.03 0.00 0.00 46.19 42.63 1pdh s LEU 283 CO -0.01 0.03 0.30 0.00 0.23 0.00 0.00 176.35 176.91 1pdh s ALA 284 N -1.59 -0.76 0.00 4.21 0.00 -0.45 -4.87 121.76 118.30 1pdh s ALA 284 Ca 0.42 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1pdh s ALA 284 Cb -0.14 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.79 1pdh s ALA 284 CO 0.20 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.16 1pdh n GLY 285 N 2.00 0.25 0.24 0.00 0.00 -1.26 -3.50 105.19 102.92 1pdh n GLY 285 Ca -0.18 -0.92 0.15 0.00 0.00 0.00 0.00 46.02 45.07 1pdh n GLY 285 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pdh h ASP 286 N 8.50 0.00 0.60 1.61 5.19 -1.90 -1.37 116.42 129.05 1pdh h ASP 286 Ca 0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 1pdh h ASP 286 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 1pdh h ASP 286 CO 0.00 0.00 -0.18 0.00 -3.12 0.00 0.00 179.24 175.94 1pdh h ALA 287 N 1.82 1.16 0.00 3.45 0.00 -1.61 -2.86 119.26 121.23 1pdh h ALA 287 Ca 0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1pdh h ALA 287 Cb 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1pdh h ALA 287 CO 0.00 0.22 -1.57 0.00 0.00 0.00 0.00 179.25 177.89 1pdh n ALA 288 N -2.26 2.16 -3.49 0.00 0.00 -0.54 -4.73 120.51 111.66 1pdh n ALA 288 Ca -0.01 -0.42 -0.14 0.00 0.00 0.00 0.00 53.44 52.87 1pdh n ALA 288 Cb 0.33 -0.22 -0.04 0.00 0.00 0.00 0.00 19.45 19.52 1pdh n ALA 288 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1pdh s HIS 289 N -2.56 -0.56 -0.01 0.00 0.00 -1.08 -2.59 115.29 108.49 1pdh s HIS 289 Ca -0.04 0.70 0.02 0.00 -3.00 0.00 0.00 55.06 52.74 1pdh s HIS 289 Cb 0.05 0.48 -0.00 0.00 -4.00 0.00 0.00 32.58 29.11 1pdh s HIS 289 CO 0.44 -0.67 -0.08 0.42 -1.00 0.00 0.00 174.74 173.85 1pdh s ILE 290 N -2.30 0.64 0.06 -5.38 -1.09 0.45 -3.96 121.20 109.62 1pdh s ILE 290 Ca -0.04 -0.34 0.06 0.00 -2.23 0.00 0.00 60.65 58.10 1pdh s ILE 290 Cb -0.01 -0.55 -0.03 0.00 -1.58 0.00 0.00 42.46 40.30 1pdh s ILE 290 CO -0.01 0.19 -0.16 0.68 -1.23 0.00 0.00 174.94 174.40 1pdh s VAL 291 N -0.12 1.31 0.49 2.92 -7.23 -1.24 -1.08 120.40 115.45 1pdh s VAL 291 Ca 0.02 -1.22 -0.22 0.00 -1.81 0.00 0.00 61.98 58.74 1pdh s VAL 291 Cb -0.04 -1.20 -0.07 0.00 0.56 0.00 0.00 36.38 35.63 1pdh s VAL 291 CO -0.00 -0.04 1.21 -2.16 -0.31 0.00 0.00 175.10 173.80 1pdh s PRO 292 N -1.47 3.58 0.00 4.82 0.04 -1.03 -4.72 135.00 136.22 1pdh s PRO 292 Ca 0.02 1.88 0.04 0.00 0.04 0.00 0.00 61.00 62.98 1pdh s PRO 292 Cb -0.09 -2.35 0.17 0.00 0.04 0.00 0.00 34.50 32.27 1pdh s PRO 292 CO 0.02 -0.73 1.08 -0.35 0.04 0.00 0.00 177.00 177.06 1pdh n PRO 293 N -0.67 0.01 -0.34 0.56 -0.04 -1.26 -3.81 135.00 129.46 1pdh n PRO 293 Ca 0.08 0.39 0.21 0.00 -0.04 0.00 0.00 63.50 64.14 1pdh n PRO 293 Cb 0.47 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.89 1pdh n PRO 293 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1pdh h THR 294 N 0.00 0.51 -0.38 0.52 2.02 -1.90 -0.26 112.91 113.42 1pdh h THR 294 Ca 0.00 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1pdh h THR 294 Cb 0.06 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.46 1pdh h THR 294 CO 0.00 0.09 0.00 0.61 0.37 0.00 0.00 175.52 176.59 1pdh n GLY 295 N -1.39 1.58 2.60 2.16 0.00 -1.25 -4.93 105.19 103.96 1pdh n GLY 295 Ca 0.27 -0.70 -0.19 0.00 0.00 0.00 0.00 46.02 45.40 1pdh n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pdh n ALA 296 N 1.35 -0.77 0.71 4.61 0.00 -0.11 -4.92 120.51 121.39 1pdh n ALA 296 Ca 0.19 0.16 0.11 0.00 0.00 0.00 0.00 53.44 53.91 1pdh n ALA 296 Cb 0.57 -2.36 0.09 0.00 0.00 0.00 0.00 19.45 17.75 1pdh n ALA 296 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pdh n LYS 297 N -3.20 0.19 0.14 0.00 4.76 -1.26 -4.40 118.16 114.39 1pdh n LYS 297 Ca -0.18 0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.15 1pdh n LYS 297 Cb 0.64 -1.58 -0.07 0.00 -1.84 0.00 0.00 35.03 32.18 1pdh n LYS 297 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1pdh h GLY 298 N 4.69 -1.15 1.34 0.72 0.00 -1.89 0.34 103.07 107.13 1pdh h GLY 298 Ca 0.00 0.57 -0.04 0.00 0.00 0.00 0.00 47.33 47.86 1pdh h GLY 298 CO 0.00 -0.33 0.19 -2.00 0.00 0.00 0.00 176.54 174.39 1pdh h LEU 299 N -0.64 0.77 -1.18 3.11 5.85 -1.93 -2.22 115.31 119.07 1pdh h LEU 299 Ca -0.02 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 1pdh h LEU 299 Cb 0.59 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1pdh h LEU 299 CO -0.13 0.72 -0.27 0.78 -0.34 0.00 0.00 178.44 179.19 1pdh h ASN 300 N 0.81 0.22 0.53 1.25 2.35 -1.68 -1.50 115.58 117.57 1pdh h ASN 300 Ca 0.19 -0.07 -0.22 0.00 -0.55 0.00 0.00 56.30 55.65 1pdh h ASN 300 Cb 0.22 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1pdh h ASN 300 CO -0.01 0.50 -0.94 -0.07 -1.65 0.00 0.00 177.43 175.26 1pdh h LEU 301 N 0.20 0.35 -0.56 1.61 3.38 0.09 -2.54 115.31 117.85 1pdh h LEU 301 Ca 0.03 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1pdh h LEU 301 Cb 0.60 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1pdh h LEU 301 CO 0.04 1.12 0.36 0.00 0.09 0.00 0.00 178.44 180.05 1pdh h ALA 302 N 0.86 0.71 -0.07 1.53 0.00 -0.97 -1.35 119.26 119.96 1pdh h ALA 302 Ca -0.06 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1pdh h ALA 302 Cb 1.59 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1pdh h ALA 302 CO 0.15 0.15 -0.06 0.00 0.00 0.00 0.00 179.25 179.49 1pdh h ALA 303 N 1.20 -0.00 -0.27 0.00 0.00 -1.16 -1.15 119.26 117.87 1pdh h ALA 303 Ca 0.20 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1pdh h ALA 303 Cb -0.07 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1pdh h ALA 303 CO -0.04 -0.53 -0.09 0.66 0.00 0.00 0.00 179.25 179.24 1pdh h SER 304 N -0.08 0.43 -0.17 0.00 4.64 -1.26 0.56 113.55 117.67 1pdh h SER 304 Ca 0.05 -0.10 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 1pdh h SER 304 Cb 0.15 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1pdh h SER 304 CO -0.12 0.56 0.02 0.44 -0.87 0.00 0.00 176.83 176.86 1pdh h ASP 305 N 0.42 0.28 -0.70 4.97 3.32 -0.93 -1.66 116.42 122.12 1pdh h ASP 305 Ca 0.08 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.86 1pdh h ASP 305 Cb 0.42 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1pdh h ASP 305 CO 0.02 0.48 0.43 0.58 -1.72 0.00 0.00 179.24 179.03 1pdh h VAL 306 N 0.07 1.20 -0.35 -1.35 2.07 -0.92 0.11 116.25 117.07 1pdh h VAL 306 Ca 0.05 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1pdh h VAL 306 Cb 0.32 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1pdh h VAL 306 CO 0.00 0.21 0.23 -1.28 0.02 0.00 0.00 177.57 176.75 1pdh h SER 307 N 0.96 0.41 -0.41 0.57 0.87 -0.80 0.11 113.55 115.25 1pdh h SER 307 Ca 0.25 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.77 1pdh h SER 307 Cb -0.04 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 1pdh h SER 307 CO -0.05 0.30 0.13 0.74 -0.53 0.00 0.00 176.83 177.42 1pdh h THR 308 N 0.48 1.21 -0.40 2.23 2.02 -0.96 -1.68 112.91 115.82 1pdh h THR 308 Ca 0.13 -0.70 -0.06 0.00 0.77 0.00 0.00 66.41 66.55 1pdh h THR 308 Cb -0.05 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1pdh h THR 308 CO -0.03 0.25 0.03 0.25 0.37 0.00 0.00 175.52 176.39 1pdh h LEU 309 N 0.52 0.66 -0.06 2.58 5.85 -0.57 -2.11 115.31 122.18 1pdh h LEU 309 Ca 0.13 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.58 1pdh h LEU 309 Cb 0.25 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1pdh h LEU 309 CO -0.01 0.78 -0.03 0.22 -0.34 0.00 0.00 178.44 179.06 1pdh h TYR 310 N 0.52 -0.08 -0.23 1.25 3.20 -0.71 -0.05 116.97 120.87 1pdh h TYR 310 Ca 0.12 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 1pdh h TYR 310 Cb 0.43 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 1pdh h TYR 310 CO 0.03 -0.06 -0.10 0.00 -1.64 0.00 0.00 178.16 176.40 1pdh h ARG 311 N -0.04 0.36 -0.09 1.82 3.08 -1.26 -0.62 114.38 117.63 1pdh h ARG 311 Ca 0.04 -0.09 -0.19 0.00 0.07 0.00 0.00 59.98 59.81 1pdh h ARG 311 Cb 0.09 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1pdh h ARG 311 CO -0.08 0.47 -0.74 -0.07 -1.07 0.00 0.00 179.97 178.48 1pdh h LEU 312 N 0.34 0.56 -0.88 3.04 3.38 -1.10 -2.61 115.31 118.04 1pdh h LEU 312 Ca 0.07 -0.37 -0.12 0.00 0.09 0.00 0.00 57.88 57.55 1pdh h LEU 312 Cb 0.39 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1pdh h LEU 312 CO 0.02 1.12 -0.49 -0.07 0.09 0.00 0.00 178.44 179.11 1pdh h LEU 313 N 0.32 0.18 -0.36 1.67 3.38 -0.56 -1.64 115.31 118.29 1pdh h LEU 313 Ca -0.04 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1pdh h LEU 313 Cb 1.33 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1pdh h LEU 313 CO 0.13 0.64 0.10 -0.07 0.09 0.00 0.00 178.44 179.33 1pdh h LEU 314 N 0.13 0.54 -0.58 1.67 3.38 -1.03 0.40 115.31 119.83 1pdh h LEU 314 Ca 0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1pdh h LEU 314 Cb 0.92 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1pdh h LEU 314 CO 0.07 0.62 0.31 0.11 0.09 0.00 0.00 178.44 179.65 1pdh h LYS 315 N 0.44 0.81 -0.34 1.13 1.79 -1.24 0.24 116.57 119.39 1pdh h LYS 315 Ca 0.11 -0.10 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1pdh h LYS 315 Cb 0.29 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 1pdh h LYS 315 CO -0.00 0.62 0.16 0.00 -1.08 0.00 0.00 179.45 179.16 1pdh h ALA 316 N 1.14 0.44 0.08 3.86 0.00 -0.98 -0.38 119.26 123.41 1pdh h ALA 316 Ca 0.20 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1pdh h ALA 316 Cb 0.06 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.72 1pdh h ALA 316 CO -0.03 0.00 -0.66 1.88 0.00 0.00 0.00 179.25 180.44 1pdh h TYR 317 N 0.41 0.30 -0.04 0.00 0.05 -0.87 -2.75 116.97 114.07 1pdh h TYR 317 Ca 0.12 -0.22 -0.20 0.00 0.05 0.00 0.00 58.73 58.48 1pdh h TYR 317 Cb 0.12 -0.01 0.01 0.00 1.01 0.00 0.00 36.73 37.87 1pdh h TYR 317 CO -0.02 1.26 -0.76 -0.09 -1.05 0.00 0.00 178.16 177.50 1pdh h ARG 318 N -0.63 0.59 -0.15 4.88 2.43 -0.63 -3.36 114.38 117.51 1pdh h ARG 318 Ca -0.14 -0.58 0.00 0.00 -0.81 0.00 0.00 59.98 58.46 1pdh h ARG 318 Cb 1.41 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 31.11 1pdh h ARG 318 CO 0.06 1.20 0.00 0.39 -1.51 0.00 0.00 179.97 180.10 1pdh n GLU 319 N -4.06 1.49 -1.80 0.20 1.02 -0.22 -4.97 120.64 112.29 1pdh n GLU 319 Ca -0.10 -1.56 -0.16 0.00 -0.02 0.00 0.00 57.16 55.32 1pdh n GLU 319 Cb 0.74 -1.27 -0.04 0.00 -0.02 0.00 0.00 31.44 30.85 1pdh n GLU 319 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pdh n GLY 320 N 0.71 0.82 2.61 0.62 0.00 -0.83 -4.92 105.19 104.20 1pdh n GLY 320 Ca 0.10 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1pdh n GLY 320 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pdh n ARG 321 N -2.53 5.30 0.17 1.61 5.12 -0.76 -4.81 116.66 120.76 1pdh n ARG 321 Ca -0.17 -4.46 0.14 0.00 -1.93 0.00 0.00 57.85 51.43 1pdh n ARG 321 Cb 0.57 -2.50 0.70 0.00 -1.16 0.00 0.00 32.46 30.07 1pdh n ARG 321 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1pdh h GLY 322 N 4.43 0.00 1.37 -0.13 0.00 -1.82 -2.70 103.07 104.22 1pdh h GLY 322 Ca 0.57 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.97 1pdh h GLY 322 CO 1.23 0.00 0.27 0.83 0.00 0.00 0.00 176.54 178.87 1pdh h GLU 323 N 0.00 0.23 -0.08 4.80 3.07 -1.98 -2.33 114.58 118.29 1pdh h GLU 323 Ca 0.10 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 58.96 1pdh h GLU 323 Cb 0.40 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.26 1pdh h GLU 323 CO -0.00 0.15 0.07 -0.07 -1.40 0.00 0.00 179.01 177.76 1pdh h LEU 324 N 0.23 0.00 -2.74 1.33 3.38 -1.85 -2.33 115.31 113.33 1pdh h LEU 324 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1pdh h LEU 324 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1pdh h LEU 324 CO -0.03 0.00 0.04 -0.07 0.09 0.00 0.00 178.44 178.47 1pdh h LEU 325 N 0.00 0.00 -1.75 1.67 3.38 -1.64 -0.64 115.31 116.33 1pdh h LEU 325 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1pdh h LEU 325 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1pdh h LEU 325 CO -0.00 0.00 -0.04 -0.33 0.09 0.00 0.00 178.44 178.16 1pdh h GLU 326 N 0.00 0.00 -0.01 1.13 4.39 -1.63 -2.52 114.58 115.94 1pdh h GLU 326 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1pdh h GLU 326 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1pdh h GLU 326 CO -0.00 0.04 -0.11 0.54 -1.16 0.00 0.00 179.01 178.32 1pdh n ARG 327 N -3.18 1.11 -0.04 2.33 1.74 -0.25 -4.43 116.66 113.93 1pdh n ARG 327 Ca -0.00 -0.56 -0.10 0.00 -0.77 0.00 0.00 57.85 56.42 1pdh n ARG 327 Cb 0.27 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.19 1pdh n ARG 327 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1pdh h TYR 328 N 1.37 -0.94 -0.56 -1.55 3.20 -1.58 -2.35 116.97 114.56 1pdh h TYR 328 Ca 0.00 0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1pdh h TYR 328 Cb 0.43 0.45 -0.03 0.00 1.54 0.00 0.00 36.73 39.12 1pdh h TYR 328 CO 0.00 -0.40 0.37 0.77 -1.64 0.00 0.00 178.16 177.26 1pdh h SER 329 N -0.36 0.64 -0.58 -2.11 0.02 -1.84 -1.86 113.55 107.46 1pdh h SER 329 Ca 0.12 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1pdh h SER 329 Cb 0.55 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 1pdh h SER 329 CO -0.42 0.46 0.39 0.00 -1.14 0.00 0.00 176.83 176.11 1pdh h ALA 330 N 1.21 0.74 0.05 3.77 0.00 -1.81 0.14 119.26 123.35 1pdh h ALA 330 Ca 0.20 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1pdh h ALA 330 Cb -0.08 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1pdh h ALA 330 CO -0.05 0.17 -0.02 0.82 0.00 0.00 0.00 179.25 180.17 1pdh h ILE 331 N 0.79 1.11 -0.48 0.00 2.04 -1.21 -3.05 117.51 116.71 1pdh h ILE 331 Ca 0.21 -0.53 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 1pdh h ILE 331 Cb -0.09 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1pdh h ILE 331 CO -0.05 0.13 0.13 0.00 0.00 0.00 0.00 178.15 178.37 1pdh h LEU 333 N 0.64 0.21 -0.58 0.00 3.38 -0.76 0.10 115.31 118.30 1pdh h LEU 333 Ca 0.15 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1pdh h LEU 333 Cb 0.30 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1pdh h LEU 333 CO -0.00 0.15 0.25 0.03 0.09 0.00 0.00 178.44 178.96 1pdh h ARG 334 N 0.24 0.86 -0.08 1.13 3.08 -1.45 -0.95 114.38 117.21 1pdh h ARG 334 Ca 0.08 -0.14 -0.18 0.00 0.07 0.00 0.00 59.98 59.81 1pdh h ARG 334 Cb 0.04 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 29.95 1pdh h ARG 334 CO -0.02 0.72 -0.64 -0.09 -1.07 0.00 0.00 179.97 178.88 1pdh h ARG 335 N 0.80 0.58 -0.24 0.04 2.43 -1.39 -3.18 114.38 113.41 1pdh h ARG 335 Ca 0.20 -0.51 0.05 0.00 -0.81 0.00 0.00 59.98 58.90 1pdh h ARG 335 Cb 0.17 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.79 1pdh h ARG 335 CO -0.02 1.13 -0.05 0.82 -1.51 0.00 0.00 179.97 180.34 1pdh h ILE 336 N 0.19 0.77 -0.69 1.20 2.04 -0.85 -1.38 117.51 118.80 1pdh h ILE 336 Ca -0.06 -0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1pdh h ILE 336 Cb 1.29 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 1pdh h ILE 336 CO 0.13 0.00 0.35 -0.50 0.00 0.00 0.00 178.15 178.13 1pdh h TRP 337 N 0.01 0.95 -0.29 1.37 4.06 -1.27 0.18 115.95 120.97 1pdh h TRP 337 Ca 0.12 -0.03 -0.13 0.00 2.06 0.00 0.00 58.89 60.91 1pdh h TRP 337 Cb 0.17 -0.30 -0.01 0.00 -1.00 0.00 0.00 29.16 28.02 1pdh h TRP 337 CO -0.24 0.68 -0.34 0.87 -3.56 0.00 0.00 178.44 175.85 1pdh h LYS 338 N 0.96 0.63 -0.06 0.49 1.57 -1.44 -0.70 116.57 118.02 1pdh h LYS 338 Ca 0.24 -0.29 -0.16 0.00 -1.87 0.00 0.00 60.65 58.56 1pdh h LYS 338 Cb 0.07 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1pdh h LYS 338 CO -0.03 0.88 -0.68 0.00 -0.57 0.00 0.00 179.45 179.04 1pdh h ALA 339 N 1.10 0.73 -0.55 3.86 0.00 -0.69 -2.28 119.26 121.42 1pdh h ALA 339 Ca 0.06 -0.59 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 1pdh h ALA 339 Cb 0.84 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1pdh h ALA 339 CO 0.07 0.78 -0.03 0.93 0.00 0.00 0.00 179.25 181.00 1pdh h GLU 340 N 0.18 1.00 -0.44 0.00 4.39 -0.40 -1.35 114.58 117.96 1pdh h GLU 340 Ca -0.02 -0.33 -0.02 0.00 0.34 0.00 0.00 59.36 59.33 1pdh h GLU 340 Cb 1.23 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.78 1pdh h GLU 340 CO 0.11 1.01 0.20 -0.09 -1.16 0.00 0.00 179.01 179.08 1pdh h ARG 341 N 0.88 0.65 -0.21 2.33 2.43 -0.98 -1.13 114.38 118.35 1pdh h ARG 341 Ca 0.15 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1pdh h ARG 341 Cb 0.58 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1pdh h ARG 341 CO 0.03 0.57 0.04 0.35 -1.51 0.00 0.00 179.97 179.45 1pdh h PHE 342 N 0.57 0.36 -0.65 2.20 3.57 -1.31 -0.89 116.94 120.79 1pdh h PHE 342 Ca 0.15 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1pdh h PHE 342 Cb 0.14 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1pdh h PHE 342 CO -0.01 0.47 0.36 0.77 -2.23 0.00 0.00 178.31 177.68 1pdh h SER 343 N 0.15 0.80 -0.17 0.41 0.02 -1.20 0.76 113.55 114.32 1pdh h SER 343 Ca 0.06 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1pdh h SER 343 Cb 0.30 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1pdh h SER 343 CO 0.00 0.64 -0.03 -0.25 -1.14 0.00 0.00 176.83 176.05 1pdh h TRP 344 N 0.91 0.35 0.11 3.45 7.01 -1.06 -1.12 115.95 125.59 1pdh h TRP 344 Ca 0.23 -0.07 -0.00 0.00 2.11 0.00 0.00 58.89 61.16 1pdh h TRP 344 Cb 0.01 -0.09 -0.00 0.00 -2.10 0.00 0.00 29.16 26.98 1pdh h TRP 344 CO 0.01 0.57 -0.07 2.35 -2.79 0.00 0.00 178.44 178.51 1pdh h TRP 345 N 0.04 -0.17 -0.44 2.65 7.01 -0.76 0.71 115.95 124.99 1pdh h TRP 345 Ca 0.04 -0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.13 1pdh h TRP 345 Cb 0.45 0.06 -0.08 0.00 -2.10 0.00 0.00 29.16 27.49 1pdh h TRP 345 CO 0.05 -0.10 -0.09 0.52 -2.79 0.00 0.00 178.44 176.03 1pdh h MET 346 N -0.17 0.02 -0.29 2.65 2.86 -0.86 -1.54 114.93 117.61 1pdh h MET 346 Ca -0.01 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1pdh h MET 346 Cb 0.14 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1pdh h MET 346 CO 0.01 0.01 0.14 1.15 1.06 0.00 0.00 176.91 179.28 1pdh h THR 347 N 0.02 1.15 0.00 2.22 2.02 -0.83 -2.35 112.91 115.14 1pdh h THR 347 Ca 0.21 -0.43 -0.06 0.00 0.77 0.00 0.00 66.41 66.90 1pdh h THR 347 Cb 0.32 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1pdh h THR 347 CO -0.43 0.15 -0.29 0.77 0.37 0.00 0.00 175.52 176.09 1pdh h SER 348 N 0.33 0.00 1.12 4.18 4.64 -0.33 -2.36 113.55 121.14 1pdh h SER 348 Ca 0.10 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1pdh h SER 348 Cb 0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1pdh h SER 348 CO -0.01 0.29 -0.90 -0.37 -0.87 0.00 0.00 176.83 174.96 1pdh h VAL 349 N 0.00 0.18 0.00 0.95 -1.51 -1.15 -3.38 116.25 111.34 1pdh h VAL 349 Ca -0.00 -1.32 -0.00 0.00 -1.23 0.00 0.00 66.70 64.15 1pdh h VAL 349 Cb 0.53 1.77 -0.00 0.00 -2.13 0.00 0.00 31.29 31.45 1pdh h VAL 349 CO 0.04 0.10 -1.84 0.18 -1.23 0.00 0.00 177.57 174.82 1pdh n LEU 350 N -2.83 0.14 -4.95 4.19 4.77 -0.90 -4.95 117.00 112.47 1pdh n LEU 350 Ca -0.01 0.05 -0.24 0.00 -0.03 0.00 0.00 56.01 55.78 1pdh n LEU 350 Cb 0.63 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.68 1pdh n LEU 350 CO 0.40 -0.03 -0.05 -1.00 -1.33 0.00 0.00 177.39 175.37 1pdh s HIS 351 N -3.49 3.47 -0.31 -1.77 3.76 -0.90 -4.27 115.29 111.78 1pdh s HIS 351 Ca -0.07 0.09 -0.14 0.00 -0.15 0.00 0.00 55.06 54.79 1pdh s HIS 351 Cb 0.13 -1.65 -0.02 0.00 1.11 0.00 0.00 32.58 32.15 1pdh s HIS 351 CO 0.89 0.46 0.34 1.03 -0.85 0.00 0.00 174.74 176.61 1pdh s ARG 352 N -3.57 3.75 0.04 1.40 1.81 -1.26 -4.94 118.95 116.18 1pdh s ARG 352 Ca 0.35 -0.27 -0.10 0.00 -1.72 0.00 0.00 55.73 53.99 1pdh s ARG 352 Cb -0.10 -3.74 -0.05 0.00 -0.45 0.00 0.00 34.95 30.60 1pdh s ARG 352 CO 0.29 -0.40 0.36 -0.06 -0.68 0.00 0.00 175.30 174.81 1pdh s PHE 353 N 2.00 3.60 0.51 -0.53 0.40 -1.26 -4.98 117.98 117.72 1pdh s PHE 353 Ca 0.12 0.76 -0.20 0.00 -0.60 0.00 0.00 56.93 57.01 1pdh s PHE 353 Cb -0.16 -2.13 -0.07 0.00 0.51 0.00 0.00 43.02 41.17 1pdh s PHE 353 CO 0.11 0.57 1.09 -1.25 0.70 0.00 0.00 175.22 176.43 1pdh s PRO 354 N -1.72 3.60 -1.20 0.24 0.04 -1.26 -3.97 135.00 130.73 1pdh s PRO 354 Ca 0.30 1.50 -0.01 0.00 0.04 0.00 0.00 61.00 62.82 1pdh s PRO 354 Cb -0.14 -2.08 -0.01 0.00 0.04 0.00 0.00 34.50 32.31 1pdh s PRO 354 CO 0.16 -0.62 0.93 -0.25 0.04 0.00 0.00 177.00 177.25 1pdh n ASP 355 N -1.08 -2.63 -4.63 6.66 8.00 -1.26 -4.99 116.55 116.61 1pdh n ASP 355 Ca 0.10 -0.68 -0.35 0.00 0.71 0.00 0.00 54.79 54.57 1pdh n ASP 355 Cb 0.52 -4.90 -0.10 0.00 -0.02 0.00 0.00 41.12 36.62 1pdh n ASP 355 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1pdh s THR 356 N -3.43 4.96 0.81 -3.53 2.01 -1.25 -5.09 115.64 110.11 1pdh s THR 356 Ca 0.08 0.03 -0.12 0.00 0.31 0.00 0.00 61.69 62.00 1pdh s THR 356 Cb -0.01 -3.27 0.08 0.00 0.01 0.00 0.00 72.50 69.30 1pdh s THR 356 CO 0.75 0.42 1.14 1.51 -0.69 0.00 0.00 174.62 177.75 1pdh s ASP 357 N 0.67 4.51 0.23 3.53 -4.77 -1.26 -4.87 116.67 114.71 1pdh s ASP 357 Ca 0.05 0.98 -0.07 0.00 -3.30 0.00 0.00 52.55 50.21 1pdh s ASP 357 Cb -0.13 -1.59 0.34 0.00 -1.09 0.00 0.00 42.92 40.45 1pdh s ASP 357 CO 0.01 -1.92 1.78 0.00 0.70 0.00 0.00 175.17 175.74 1pdh h ALA 358 N -1.06 1.00 -0.05 2.11 0.00 -2.00 -2.50 119.26 116.76 1pdh h ALA 358 Ca -0.47 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.52 1pdh h ALA 358 Cb 1.30 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 1pdh h ALA 358 CO 0.64 -0.04 -0.09 0.35 0.00 0.00 0.00 179.25 180.10 1pdh h PHE 359 N 0.61 -0.23 -0.86 0.00 3.57 -2.00 -2.24 116.94 115.80 1pdh h PHE 359 Ca 0.36 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.88 1pdh h PHE 359 Cb 0.38 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 1pdh h PHE 359 CO -0.11 -0.14 0.57 0.77 -2.23 0.00 0.00 178.31 177.18 1pdh h SER 360 N -0.13 0.98 -0.36 0.41 0.02 -1.85 -0.74 113.55 111.88 1pdh h SER 360 Ca 0.05 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1pdh h SER 360 Cb 0.20 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1pdh h SER 360 CO -0.13 0.70 0.10 1.56 -1.14 0.00 0.00 176.83 177.93 1pdh h GLN 361 N 1.15 0.57 -0.77 3.45 4.20 -1.25 -0.76 115.11 121.71 1pdh h GLN 361 Ca 0.32 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.88 1pdh h GLN 361 Cb -0.11 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.55 1pdh h GLN 361 CO -0.07 0.60 0.38 0.00 -0.67 0.00 0.00 178.83 179.07 1pdh h ARG 362 N 0.44 1.10 -0.55 1.46 2.47 -0.91 -1.75 114.38 116.63 1pdh h ARG 362 Ca 0.12 -0.15 -0.07 0.00 -1.26 0.00 0.00 59.98 58.61 1pdh h ARG 362 Cb 0.27 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 1pdh h ARG 362 CO -0.00 0.84 0.07 0.82 0.56 0.00 0.00 179.97 182.26 1pdh h ILE 363 N 1.07 1.25 -0.75 2.04 1.08 -0.92 -0.79 117.51 120.50 1pdh h ILE 363 Ca 0.26 -0.97 -0.05 0.00 -0.39 0.00 0.00 64.86 63.71 1pdh h ILE 363 Cb 0.10 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 34.56 1pdh h ILE 363 CO -0.04 0.35 0.27 -0.61 -0.69 0.00 0.00 178.15 177.44 1pdh h GLN 364 N 0.85 1.14 -0.36 2.37 4.15 -0.69 0.63 115.11 123.21 1pdh h GLN 364 Ca 0.17 -0.23 -0.14 0.00 0.77 0.00 0.00 58.65 59.23 1pdh h GLN 364 Cb 0.41 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1pdh h GLN 364 CO 0.01 0.95 -0.31 0.37 -1.93 0.00 0.00 178.83 177.92 1pdh h GLN 365 N 1.09 0.84 -0.24 1.69 4.15 -1.08 -2.94 115.11 118.62 1pdh h GLN 365 Ca 0.25 -0.43 -0.07 0.00 0.77 0.00 0.00 58.65 59.17 1pdh h GLN 365 Cb 0.26 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1pdh h GLN 365 CO -0.01 1.07 -0.16 1.15 -1.93 0.00 0.00 178.83 178.94 1pdh h THR 366 N 0.63 1.23 -0.28 2.39 2.02 -0.80 -1.36 112.91 116.75 1pdh h THR 366 Ca 0.06 -1.02 0.01 0.00 0.77 0.00 0.00 66.41 66.23 1pdh h THR 366 Cb 0.89 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 1pdh h THR 366 CO 0.08 0.33 0.15 -0.33 0.37 0.00 0.00 175.52 176.12 1pdh h GLU 367 N 0.38 0.30 0.11 6.66 4.39 -0.80 0.19 114.58 125.81 1pdh h GLU 367 Ca 0.07 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1pdh h GLU 367 Cb 0.51 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1pdh h GLU 367 CO 0.03 0.20 -0.05 -0.07 -1.16 0.00 0.00 179.01 177.96 1pdh h LEU 368 N 0.31 -0.12 -0.67 1.33 3.38 -1.28 -0.51 115.31 117.74 1pdh h LEU 368 Ca 0.11 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1pdh h LEU 368 Cb 0.01 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1pdh h LEU 368 CO -0.06 -0.04 0.40 -0.33 0.09 0.00 0.00 178.44 178.49 1pdh h GLU 369 N -0.19 0.74 0.44 1.13 5.08 -1.01 -0.23 114.58 120.53 1pdh h GLU 369 Ca -0.01 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1pdh h GLU 369 Cb 0.15 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1pdh h GLU 369 CO 0.02 0.49 -0.21 -0.92 -1.00 0.00 0.00 179.01 177.39 1pdh h TYR 370 N 0.76 -0.54 -0.52 4.33 3.20 -0.48 -2.35 116.97 121.36 1pdh h TYR 370 Ca 0.28 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 1pdh h TYR 370 Cb 0.10 0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 1pdh h TYR 370 CO -0.06 -0.22 0.23 1.88 -1.64 0.00 0.00 178.16 178.35 1pdh h TYR 371 N -0.90 0.72 -0.00 -3.82 0.05 -0.93 -2.02 116.97 110.06 1pdh h TYR 371 Ca -0.06 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.70 1pdh h TYR 371 Cb 0.57 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 38.08 1pdh h TYR 371 CO 0.01 0.54 -0.18 1.28 -1.05 0.00 0.00 178.16 178.77 1pdh n LEU 372 N -4.37 0.53 -0.22 3.88 4.77 -0.11 -1.90 117.00 119.59 1pdh n LEU 372 Ca 0.04 0.01 0.05 0.00 -0.03 0.00 0.00 56.01 56.08 1pdh n LEU 372 Cb 0.14 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1pdh n LEU 372 CO 0.38 0.10 0.21 0.61 -1.33 0.00 0.00 177.39 177.36 1pdh n GLY 373 N 1.34 -0.18 3.41 -0.72 0.00 -0.82 -4.94 105.19 103.29 1pdh n GLY 373 Ca 0.12 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 1pdh n GLY 373 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pdh s SER 374 N -1.28 3.83 0.21 1.61 0.15 -0.84 -5.02 113.70 112.35 1pdh s SER 374 Ca 0.08 -0.29 -0.09 0.00 0.70 0.00 0.00 55.95 56.34 1pdh s SER 374 Cb 0.08 -1.02 0.23 0.00 -1.71 0.00 0.00 66.02 63.60 1pdh s SER 374 CO 0.23 0.28 1.82 -0.33 1.20 0.00 0.00 173.24 176.44 1pdh h GLU 375 N 5.81 0.70 -0.54 5.44 4.39 -1.91 0.25 114.58 128.73 1pdh h GLU 375 Ca -0.39 -0.04 -0.11 0.00 0.34 0.00 0.00 59.36 59.16 1pdh h GLU 375 Cb 1.17 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.64 1pdh h GLU 375 CO 0.51 0.46 -0.09 0.00 -1.16 0.00 0.00 179.01 178.73 1pdh h ALA 376 N 1.34 0.74 -0.25 3.43 0.00 -1.95 -1.89 119.26 120.68 1pdh h ALA 376 Ca 0.30 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1pdh h ALA 376 Cb 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1pdh h ALA 376 CO -0.17 0.64 0.13 0.78 0.00 0.00 0.00 179.25 180.64 1pdh h GLY 377 N 0.89 0.37 1.17 0.00 0.00 -1.50 -2.31 103.07 101.69 1pdh h GLY 377 Ca 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1pdh h GLY 377 CO 0.05 0.17 0.44 1.41 0.00 0.00 0.00 176.54 178.60 1pdh h LEU 378 N 0.28 0.98 -1.08 3.11 3.38 0.18 -2.49 115.31 119.67 1pdh h LEU 378 Ca 0.09 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1pdh h LEU 378 Cb 0.08 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1pdh h LEU 378 CO -0.01 0.78 0.39 0.00 0.09 0.00 0.00 178.44 179.69 1pdh h ALA 379 N 1.38 1.29 -0.36 1.53 0.00 -1.01 -0.31 119.26 121.77 1pdh h ALA 379 Ca 0.28 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1pdh h ALA 379 Cb 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1pdh h ALA 379 CO -0.05 0.57 -0.12 1.79 0.00 0.00 0.00 179.25 181.44 1pdh h THR 380 N 1.04 1.25 0.11 0.00 1.35 -0.96 -1.38 112.91 114.32 1pdh h THR 380 Ca 0.26 -1.11 -0.01 0.00 -0.55 0.00 0.00 66.41 65.01 1pdh h THR 380 Cb 0.05 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1pdh h THR 380 CO -0.04 0.37 -0.05 0.40 -0.25 0.00 0.00 175.52 175.95 1pdh h ILE 381 N 0.58 1.11 -0.15 6.82 2.04 -1.31 -3.12 117.51 123.48 1pdh h ILE 381 Ca 0.10 -1.12 0.03 0.00 1.00 0.00 0.00 64.86 64.88 1pdh h ILE 381 Cb 0.55 1.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.38 1pdh h ILE 381 CO 0.03 0.26 -0.06 0.00 0.00 0.00 0.00 178.15 178.38 1pdh h ALA 382 N 0.08 0.08 -0.16 1.87 0.00 -0.99 0.13 119.26 120.27 1pdh h ALA 382 Ca -0.01 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1pdh h ALA 382 Cb 0.53 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1pdh h ALA 382 CO 0.02 -0.50 -0.04 1.05 0.00 0.00 0.00 179.25 179.78 1pdh h GLU 383 N -0.03 0.24 0.15 0.00 4.11 -1.37 -0.60 114.58 117.08 1pdh h GLU 383 Ca 0.08 -0.04 -0.30 0.00 0.07 0.00 0.00 59.36 59.17 1pdh h GLU 383 Cb 0.15 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.39 1pdh h GLU 383 CO -0.18 0.30 -1.29 -0.91 0.07 0.00 0.00 179.01 177.00 1pdh h ASN 384 N 0.23 0.74 -0.43 3.06 2.35 -1.41 -2.88 115.58 117.24 1pdh h ASN 384 Ca 0.05 -0.73 -0.14 0.00 -0.55 0.00 0.00 56.30 54.94 1pdh h ASN 384 Cb 0.24 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1pdh h ASN 384 CO 0.01 1.55 -0.27 0.22 -1.65 0.00 0.00 177.43 177.29 1pdh h TYR 385 N 0.19 1.09 0.00 1.19 5.03 -0.26 -2.71 116.97 121.50 1pdh h TYR 385 Ca -0.19 -0.29 -0.06 0.00 2.58 0.00 0.00 58.73 60.77 1pdh h TYR 385 Cb 1.98 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 40.01 1pdh h TYR 385 CO 0.10 1.10 -0.30 -0.39 -1.32 0.00 0.00 178.16 177.36 1pdh h VAL 386 N 0.77 0.73 0.00 1.81 -1.51 -1.24 -3.48 116.25 113.32 1pdh h VAL 386 Ca 0.09 -1.31 0.00 0.00 -1.23 0.00 0.00 66.70 64.24 1pdh h VAL 386 Cb 0.85 1.84 0.00 0.00 -2.13 0.00 0.00 31.29 31.85 1pdh h VAL 386 CO 0.07 0.29 0.00 0.61 -1.23 0.00 0.00 177.57 177.32 1pdh n GLY 387 N 0.17 2.54 3.77 5.19 0.00 -1.02 -4.31 105.19 111.52 1pdh n GLY 387 Ca -0.00 -1.33 -0.35 0.00 0.00 0.00 0.00 46.02 44.33 1pdh n GLY 387 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pdh s LEU 388 N 0.00 3.76 0.45 0.99 1.02 -1.23 -4.85 118.68 118.81 1pdh s LEU 388 Ca 0.00 2.25 -0.25 0.00 0.02 0.00 0.00 54.13 56.15 1pdh s LEU 388 Cb 0.00 -4.55 -0.08 0.00 0.02 0.00 0.00 46.19 41.58 1pdh s LEU 388 CO 0.00 -1.28 1.43 -2.16 0.02 0.00 0.00 176.35 174.36 1pdh s PRO 389 N -3.23 3.67 0.62 1.29 0.04 -1.26 -4.97 135.00 131.15 1pdh s PRO 389 Ca 0.73 2.42 -0.18 0.00 0.04 0.00 0.00 61.00 64.01 1pdh s PRO 389 Cb -0.26 -2.65 -0.02 0.00 0.04 0.00 0.00 34.50 31.61 1pdh s PRO 389 CO 0.29 -0.83 1.22 0.71 0.04 0.00 0.00 177.00 178.43 1pdh s TYR 390 N -1.20 2.31 -2.61 0.56 1.51 -1.26 -5.09 117.35 111.56 1pdh s TYR 390 Ca 0.61 1.52 0.27 0.00 -1.01 0.00 0.00 57.07 58.46 1pdh s TYR 390 Cb -0.44 -3.51 0.85 0.00 -0.11 0.00 0.00 41.96 38.76 1pdh s TYR 390 CO 0.56 -2.35 1.63 -1.91 -1.11 0.00 0.00 175.55 172.38