#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pqh s ILE 2 N 0.00 4.47 0.04 3.17 -1.09 -1.26 -1.11 121.20 125.41 1pqh s ILE 2 Ca 0.00 -0.15 -0.01 0.00 -2.23 0.00 0.00 60.65 58.27 1pqh s ILE 2 Cb 0.00 -3.01 -0.04 0.00 -1.58 0.00 0.00 42.46 37.83 1pqh s ILE 2 CO 0.00 0.45 0.19 -0.13 -1.23 0.00 0.00 174.94 174.22 1pqh s ARG 3 N 0.54 3.38 -0.27 2.79 1.81 0.19 -4.91 118.95 122.49 1pqh s ARG 3 Ca 0.01 -0.42 -0.11 0.00 -1.72 0.00 0.00 55.73 53.50 1pqh s ARG 3 Cb -0.13 -3.03 -0.05 0.00 -0.45 0.00 0.00 34.95 31.29 1pqh s ARG 3 CO 0.02 0.63 0.18 0.99 -0.68 0.00 0.00 175.30 176.43 1pqh s THR 4 N -1.43 5.20 0.06 0.02 2.01 -1.26 -1.74 115.64 118.50 1pqh s THR 4 Ca 0.31 0.13 0.07 0.00 0.31 0.00 0.00 61.69 62.52 1pqh s THR 4 Cb -0.13 -3.47 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 1pqh s THR 4 CO 0.24 0.26 -0.20 -0.04 -0.69 0.00 0.00 174.62 174.19 1pqh s MET 5 N 1.71 1.26 0.11 4.92 1.00 0.55 -4.96 119.30 123.90 1pqh s MET 5 Ca 0.07 -0.99 -0.31 0.00 0.00 0.00 0.00 55.69 54.47 1pqh s MET 5 Cb -0.16 -1.41 -0.10 0.00 0.00 0.00 0.00 34.83 33.16 1pqh s MET 5 CO 0.10 0.35 1.85 -1.17 0.00 0.00 0.00 175.02 176.15 1pqh s LEU 6 N -1.39 4.41 -0.13 -0.03 2.96 -1.26 -0.85 118.68 122.40 1pqh s LEU 6 Ca 0.06 2.75 -0.19 0.00 -0.22 0.00 0.00 54.13 56.54 1pqh s LEU 6 Cb -0.09 -3.56 -0.25 0.00 0.50 0.00 0.00 46.19 42.78 1pqh s LEU 6 CO 0.02 -1.02 0.52 -0.61 -1.32 0.00 0.00 176.35 173.95 1pqh h GLN 7 N 8.88 0.16 -1.88 1.98 -0.00 -0.99 -3.38 115.11 119.88 1pqh h GLN 7 Ca -0.47 -0.28 0.22 0.00 -0.00 0.00 0.00 58.65 58.13 1pqh h GLN 7 Cb 1.22 0.10 -0.13 0.00 0.00 0.00 0.00 27.48 28.67 1pqh h GLN 7 CO 0.95 1.13 0.66 0.20 0.00 0.00 0.00 178.83 181.77 1pqh s GLY 8 N -4.83 -0.35 -0.14 2.39 0.00 -1.13 -0.91 107.32 102.35 1pqh s GLY 8 Ca -0.21 0.80 -0.09 0.00 0.00 0.00 0.00 44.72 45.22 1pqh s GLY 8 CO 0.72 0.22 0.35 1.25 0.00 0.00 0.00 173.10 175.65 1pqh s LYS 9 N -2.81 0.35 -0.37 2.90 2.20 0.08 -1.57 119.74 120.52 1pqh s LYS 9 Ca 0.11 0.64 -0.14 0.00 -0.36 0.00 0.00 55.97 56.22 1pqh s LYS 9 Cb 0.01 0.01 -0.00 0.00 -1.51 0.00 0.00 37.83 36.34 1pqh s LYS 9 CO -0.03 -0.13 0.26 -0.51 -0.36 0.00 0.00 175.35 174.58 1pqh s LEU 10 N 1.04 4.73 -0.39 5.43 1.43 0.58 -1.28 118.68 130.22 1pqh s LEU 10 Ca -0.07 -0.61 -0.16 0.00 -1.03 0.00 0.00 54.13 52.26 1pqh s LEU 10 Cb -0.07 -2.14 0.01 0.00 0.03 0.00 0.00 46.19 44.01 1pqh s LEU 10 CO -0.08 -0.32 0.37 -2.28 0.23 0.00 0.00 176.35 174.27 1pqh s HIS 11 N 1.70 3.20 -0.89 0.29 2.46 0.10 -1.77 115.29 120.38 1pqh s HIS 11 Ca 0.06 -0.29 -0.03 0.00 0.47 0.00 0.00 55.06 55.27 1pqh s HIS 11 Cb -0.18 -2.72 -0.03 0.00 -0.13 0.00 0.00 32.58 29.51 1pqh s HIS 11 CO 0.10 -0.56 0.76 0.54 -2.47 0.00 0.00 174.74 173.11 1pqh n ARG 12 N 5.40 -3.29 -2.75 2.88 1.74 -1.03 -2.54 116.66 117.06 1pqh n ARG 12 Ca -0.09 0.69 -0.29 0.00 -0.77 0.00 0.00 57.85 57.39 1pqh n ARG 12 Cb 0.48 -5.07 -0.02 0.00 -1.02 0.00 0.00 32.46 26.83 1pqh n ARG 12 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1pqh s VAL 13 N -3.30 4.83 -0.14 1.55 -7.23 -0.60 -4.60 120.40 110.89 1pqh s VAL 13 Ca 0.21 0.49 -0.06 0.00 -1.81 0.00 0.00 61.98 60.81 1pqh s VAL 13 Cb -0.03 -3.78 -0.04 0.00 0.56 0.00 0.00 36.38 33.09 1pqh s VAL 13 CO 0.59 -0.65 0.06 -1.59 -0.31 0.00 0.00 175.10 173.21 1pqh s LYS 14 N -4.18 3.59 0.04 4.82 0.00 -1.26 -0.64 119.74 122.10 1pqh s LYS 14 Ca 0.50 -0.31 -0.30 0.00 0.00 0.00 0.00 55.97 55.86 1pqh s LYS 14 Cb -0.10 -3.10 -0.07 0.00 0.00 0.00 0.00 37.83 34.56 1pqh s LYS 14 CO 0.36 0.51 1.45 0.08 0.00 0.00 0.00 175.35 177.75 1pqh s VAL 15 N -0.30 3.49 -0.36 1.79 1.01 0.04 -4.41 120.40 121.67 1pqh s VAL 15 Ca 0.09 0.94 0.17 0.00 0.00 0.00 0.00 61.98 63.18 1pqh s VAL 15 Cb -0.12 -3.60 -0.23 0.00 0.00 0.00 0.00 36.38 32.42 1pqh s VAL 15 CO 0.02 0.01 0.53 0.35 0.00 0.00 0.00 175.10 176.01 1pqh n THR 16 N 4.53 0.00 -3.67 3.92 -2.24 0.48 -0.72 114.28 116.58 1pqh n THR 16 Ca 0.13 -0.27 -0.14 0.00 -2.27 0.00 0.00 64.05 61.51 1pqh n THR 16 Cb 0.43 0.49 -0.08 0.00 -2.10 0.00 0.00 70.33 69.07 1pqh n THR 16 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1pqh s HIS 17 N -2.95 -0.64 -0.29 4.78 5.65 -1.13 -4.93 115.29 115.78 1pqh s HIS 17 Ca -0.01 1.57 0.01 0.00 0.25 0.00 0.00 55.06 56.89 1pqh s HIS 17 Cb 0.12 0.22 0.15 0.00 -1.18 0.00 0.00 32.58 31.89 1pqh s HIS 17 CO 0.71 -0.31 0.38 0.00 -0.65 0.00 0.00 174.74 174.87 1pqh s ALA 18 N 0.30 -1.03 -0.21 1.58 0.00 -1.26 -0.77 121.76 120.38 1pqh s ALA 18 Ca -0.00 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.05 1pqh s ALA 18 Cb -0.04 -2.02 0.04 0.00 0.00 0.00 0.00 23.12 21.10 1pqh s ALA 18 CO 0.01 -1.75 -0.16 0.34 0.00 0.00 0.00 175.76 174.20 1pqh s ASP 19 N 2.49 3.66 -0.04 0.00 2.15 -1.22 -4.91 116.67 118.80 1pqh s ASP 19 Ca 0.10 -0.96 -0.24 0.00 0.43 0.00 0.00 52.55 51.88 1pqh s ASP 19 Cb -0.13 -1.49 -0.18 0.00 -0.30 0.00 0.00 42.92 40.82 1pqh s ASP 19 CO -0.31 -0.08 1.07 0.25 -0.17 0.00 0.00 175.17 175.93 1pqh h LEU 20 N 7.88 -0.11 0.05 -1.34 5.85 -1.80 -2.01 115.31 123.83 1pqh h LEU 20 Ca -0.34 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 57.94 1pqh h LEU 20 Cb 1.10 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1pqh h LEU 20 CO 0.56 0.43 -0.02 0.45 -0.34 0.00 0.00 178.44 179.51 1pqh h HIS 21 N -0.71 -0.06 -0.17 1.25 3.86 -1.95 -3.32 115.15 114.05 1pqh h HIS 21 Ca -0.01 -0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.12 1pqh h HIS 21 Cb 0.54 0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.03 1pqh h HIS 21 CO 0.10 -0.04 -0.18 0.10 0.86 0.00 0.00 177.93 178.77 1pqh h TYR 22 N -0.79 0.52 -2.33 2.45 -0.00 -2.01 -3.45 116.97 111.36 1pqh h TYR 22 Ca -0.01 -0.16 -0.52 0.00 -0.00 0.00 0.00 58.73 58.05 1pqh h TYR 22 Cb 0.05 -0.11 -0.05 0.00 -0.00 0.00 0.00 36.73 36.62 1pqh h TYR 22 CO 0.00 0.81 -0.53 -1.21 -0.00 0.00 0.00 178.16 177.23 1pqh s GLU 23 N -4.30 2.97 0.00 0.10 2.02 -1.26 -5.05 118.70 113.18 1pqh s GLU 23 Ca -0.14 -0.97 0.00 0.00 0.02 0.00 0.00 54.97 53.88 1pqh s GLU 23 Cb 0.06 -2.62 0.00 0.00 0.10 0.00 0.00 34.13 31.67 1pqh s GLU 23 CO 0.77 0.43 0.00 0.41 0.02 0.00 0.00 175.26 176.89 1pqh n GLY 24 N -0.97 0.00 3.75 -1.39 0.00 -1.26 -2.18 105.19 103.14 1pqh n GLY 24 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 1pqh n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pqh s THR 25 N -1.78 5.16 0.41 2.61 2.01 -1.26 -2.68 115.64 120.10 1pqh s THR 25 Ca 0.00 0.89 -0.27 0.00 0.31 0.00 0.00 61.69 62.62 1pqh s THR 25 Cb 0.00 -3.78 -0.09 0.00 0.01 0.00 0.00 72.50 68.64 1pqh s THR 25 CO 0.00 0.39 1.40 0.00 -0.69 0.00 0.00 174.62 175.72 1pqh s ALA 27 N -1.19 0.21 -0.03 0.00 0.00 -0.22 -1.35 121.76 119.18 1pqh s ALA 27 Ca 0.56 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1pqh s ALA 27 Cb -0.43 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 22.69 1pqh s ALA 27 CO 0.56 0.03 0.00 0.42 0.00 0.00 0.00 175.76 176.77 1pqh s ILE 28 N -0.24 0.14 -0.26 0.00 1.01 -0.51 -0.67 121.20 120.68 1pqh s ILE 28 Ca -0.01 0.09 -0.43 0.00 0.00 0.00 0.00 60.65 60.30 1pqh s ILE 28 Cb -0.02 -0.23 -0.19 0.00 0.01 0.00 0.00 42.46 42.02 1pqh s ILE 28 CO -0.00 0.13 1.40 -0.67 0.00 0.00 0.00 174.94 175.80 1pqh n ASP 29 N 4.04 0.91 -0.11 3.58 -0.08 -0.54 -0.70 116.55 123.64 1pqh n ASP 29 Ca -0.26 1.16 0.16 0.00 -1.51 0.00 0.00 54.79 54.34 1pqh n ASP 29 Cb 0.51 -0.94 0.55 0.00 2.34 0.00 0.00 41.12 43.58 1pqh n ASP 29 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1pqh h GLN 30 N 4.45 0.30 -0.78 -0.67 5.75 -1.53 0.50 115.11 123.14 1pqh h GLN 30 Ca -0.47 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 1pqh h GLN 30 Cb 1.38 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 29.83 1pqh h GLN 30 CO 0.84 0.20 0.50 -0.44 -2.65 0.00 0.00 178.83 177.29 1pqh h ASP 31 N 0.31 0.90 -0.15 -0.69 3.32 -1.87 -0.24 116.42 118.01 1pqh h ASP 31 Ca 0.33 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.28 1pqh h ASP 31 Cb 0.84 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 1pqh h ASP 31 CO -0.08 0.66 -0.18 -0.26 -1.72 0.00 0.00 179.24 177.66 1pqh h PHE 32 N 1.06 0.46 -0.55 4.55 0.04 -1.25 -1.89 116.94 119.37 1pqh h PHE 32 Ca 0.28 -0.15 0.09 0.00 2.80 0.00 0.00 57.97 60.99 1pqh h PHE 32 Cb -0.10 -0.09 -0.07 0.00 2.20 0.00 0.00 35.95 37.88 1pqh h PHE 32 CO 0.00 0.80 0.16 -0.07 -0.60 0.00 0.00 178.31 178.60 1pqh h LEU 33 N 0.00 0.12 -0.88 1.54 3.38 -1.21 -1.84 115.31 116.42 1pqh h LEU 33 Ca 0.02 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1pqh h LEU 33 Cb 0.73 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 1pqh h LEU 33 CO 0.04 0.09 0.54 0.44 0.09 0.00 0.00 178.44 179.64 1pqh h ASP 34 N 0.32 1.05 -0.09 -0.43 3.32 -0.93 -0.00 116.42 119.66 1pqh h ASP 34 Ca 0.27 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.16 1pqh h ASP 34 Cb 0.35 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1pqh h ASP 34 CO -0.31 0.79 -0.27 0.00 -1.72 0.00 0.00 179.24 177.73 1pqh h ALA 35 N 1.30 1.02 -0.01 3.45 0.00 -0.83 -3.07 119.26 121.12 1pqh h ALA 35 Ca 0.32 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pqh h ALA 35 Cb -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1pqh h ALA 35 CO -0.06 0.59 -0.32 0.00 0.00 0.00 0.00 179.25 179.46 1pqh n ALA 36 N -2.49 3.21 -1.03 0.00 0.00 -0.74 -4.65 120.51 114.81 1pqh n ALA 36 Ca -0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 53.44 52.99 1pqh n ALA 36 Cb 0.43 -1.08 -0.00 0.00 0.00 0.00 0.00 19.45 18.80 1pqh n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pqh n GLY 37 N 1.36 0.41 3.74 0.00 0.00 -0.11 -4.07 105.19 106.53 1pqh n GLY 37 Ca 0.11 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1pqh n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pqh s ILE 38 N -1.74 4.50 0.07 -0.61 1.01 -0.63 -4.97 121.20 118.84 1pqh s ILE 38 Ca 0.00 1.91 -0.01 0.00 0.00 0.00 0.00 60.65 62.55 1pqh s ILE 38 Cb 0.00 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.18 1pqh s ILE 38 CO 0.00 0.37 0.23 -0.76 0.00 0.00 0.00 174.94 174.78 1pqh s LEU 39 N -0.26 4.35 0.24 2.97 1.43 -1.26 -4.44 118.68 121.70 1pqh s LEU 39 Ca 0.43 0.32 -0.31 0.00 -1.03 0.00 0.00 54.13 53.54 1pqh s LEU 39 Cb -0.23 -2.99 -0.14 0.00 0.03 0.00 0.00 46.19 42.86 1pqh s LEU 39 CO 0.28 0.16 1.32 -0.62 0.23 0.00 0.00 176.35 177.72 1pqh n GLU 40 N 0.30 1.82 -0.93 1.70 1.02 -1.26 -1.87 120.64 121.42 1pqh n GLU 40 Ca -0.05 0.65 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 1pqh n GLU 40 Cb 0.51 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.68 1pqh n GLU 40 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1pqh n ASN 41 N 1.95 -1.72 -4.76 1.62 3.02 0.58 -5.00 115.26 110.95 1pqh n ASN 41 Ca 0.12 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.28 1pqh n ASN 41 Cb 0.30 -0.90 -0.06 0.00 -0.61 0.00 0.00 39.78 38.52 1pqh n ASN 41 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1pqh s GLU 42 N -0.36 4.74 0.24 3.52 2.12 -0.78 -4.85 118.70 123.33 1pqh s GLU 42 Ca 0.00 1.41 -0.31 0.00 0.36 0.00 0.00 54.97 56.43 1pqh s GLU 42 Cb 0.00 -3.08 -0.12 0.00 0.26 0.00 0.00 34.13 31.18 1pqh s GLU 42 CO 0.00 0.42 1.60 0.00 -0.54 0.00 0.00 175.26 176.74 1pqh n ALA 43 N 1.12 2.24 -2.65 6.30 0.00 -1.26 -3.58 120.51 122.67 1pqh n ALA 43 Ca -0.01 0.40 -0.16 0.00 0.00 0.00 0.00 53.44 53.67 1pqh n ALA 43 Cb 0.48 -2.44 -0.11 0.00 0.00 0.00 0.00 19.45 17.38 1pqh n ALA 43 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1pqh s ILE 44 N 0.44 0.94 -0.14 0.00 -4.36 -0.27 -4.57 121.20 113.24 1pqh s ILE 44 Ca 0.70 -1.39 -0.06 0.00 -0.26 0.00 0.00 60.65 59.64 1pqh s ILE 44 Cb -0.55 -1.09 -0.04 0.00 1.25 0.00 0.00 42.46 42.03 1pqh s ILE 44 CO 0.43 -0.38 0.06 -1.81 0.24 0.00 0.00 174.94 173.47 1pqh s ASP 45 N -1.98 5.65 -0.15 4.36 1.01 0.25 -1.02 116.67 124.79 1pqh s ASP 45 Ca -0.01 0.18 0.01 0.00 0.71 0.00 0.00 52.55 53.44 1pqh s ASP 45 Cb -0.07 -1.84 0.00 0.00 1.01 0.00 0.00 42.92 42.02 1pqh s ASP 45 CO 0.01 0.29 -0.16 -0.63 0.21 0.00 0.00 175.17 174.88 1pqh s ILE 46 N -0.31 2.55 -0.25 0.77 1.01 0.35 -0.76 121.20 124.56 1pqh s ILE 46 Ca 0.08 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.93 1pqh s ILE 46 Cb -0.12 -2.07 0.04 0.00 0.01 0.00 0.00 42.46 40.32 1pqh s ILE 46 CO 0.02 0.52 -0.10 0.26 0.00 0.00 0.00 174.94 175.64 1pqh s TRP 47 N 0.83 3.12 -0.46 3.97 0.51 -0.06 -1.43 118.94 125.41 1pqh s TRP 47 Ca -0.05 -1.93 -0.22 0.00 -2.12 0.00 0.00 56.10 51.78 1pqh s TRP 47 Cb -0.15 -1.99 0.03 0.00 -0.81 0.00 0.00 33.47 30.55 1pqh s TRP 47 CO -0.01 -0.82 0.73 1.21 -0.51 0.00 0.00 176.95 177.55 1pqh s ASN 48 N 1.22 6.35 0.29 2.95 3.84 0.28 -0.66 114.94 129.20 1pqh s ASN 48 Ca -0.03 -0.31 0.05 0.00 0.21 0.00 0.00 52.86 52.78 1pqh s ASN 48 Cb -0.18 -2.35 0.44 0.00 -0.55 0.00 0.00 41.25 38.61 1pqh s ASN 48 CO -0.06 -0.89 1.70 0.58 -2.79 0.00 0.00 177.10 175.64 1pqh h VAL 49 N 5.93 1.30 -0.10 -5.21 2.07 -0.95 0.20 116.25 119.49 1pqh h VAL 49 Ca -0.25 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 65.79 1pqh h VAL 49 Cb 1.09 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1pqh h VAL 49 CO 0.95 0.44 -0.03 0.74 0.02 0.00 0.00 177.57 179.69 1pqh h THR 50 N 0.26 1.30 -0.00 2.57 2.02 -1.88 -3.37 112.91 113.80 1pqh h THR 50 Ca 0.03 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.24 1pqh h THR 50 Cb 0.79 1.74 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1pqh h THR 50 CO 0.06 0.27 -0.00 -0.46 0.37 0.00 0.00 175.52 175.76 1pqh n ASN 51 N -4.76 1.26 0.00 4.18 0.23 -1.22 -5.01 115.26 109.93 1pqh n ASN 51 Ca -0.06 -1.13 0.00 0.00 -0.53 0.00 0.00 54.58 52.86 1pqh n ASN 51 Cb 0.24 0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.97 1pqh n ASN 51 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pqh n GLY 52 N 0.21 2.08 3.77 4.83 0.00 0.71 -5.02 105.19 111.77 1pqh n GLY 52 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 1pqh n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pqh s LYS 53 N -0.07 3.64 -0.05 1.61 1.02 -1.25 -4.69 119.74 119.95 1pqh s LYS 53 Ca 0.00 1.84 0.00 0.00 0.02 0.00 0.00 55.97 57.83 1pqh s LYS 53 Cb 0.00 -2.36 0.02 0.00 -0.52 0.00 0.00 37.83 34.97 1pqh s LYS 53 CO 0.00 -0.67 -0.04 1.03 -0.92 0.00 0.00 175.35 174.76 1pqh s ARG 54 N -2.76 0.82 0.20 1.68 0.52 -1.26 -0.56 118.95 117.59 1pqh s ARG 54 Ca 0.65 -0.06 -0.12 0.00 -0.52 0.00 0.00 55.73 55.68 1pqh s ARG 54 Cb -0.30 -0.92 -0.00 0.00 0.52 0.00 0.00 34.95 34.25 1pqh s ARG 54 CO 0.36 -0.15 0.40 -0.59 0.02 0.00 0.00 175.30 175.34 1pqh s PHE 55 N 1.22 0.30 -0.02 -0.53 -0.71 -0.52 -5.01 117.98 112.72 1pqh s PHE 55 Ca -0.06 -0.66 0.07 0.00 -1.04 0.00 0.00 56.93 55.24 1pqh s PHE 55 Cb -0.14 0.11 -0.02 0.00 -1.21 0.00 0.00 43.02 41.76 1pqh s PHE 55 CO -0.02 -0.85 -0.23 -1.12 -1.34 0.00 0.00 175.22 171.66 1pqh s SER 56 N -2.97 2.67 0.00 1.98 0.01 -1.26 -0.50 113.70 113.63 1pqh s SER 56 Ca 0.18 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.03 1pqh s SER 56 Cb 0.01 -0.30 0.00 0.00 0.21 0.00 0.00 66.02 65.95 1pqh s SER 56 CO 0.03 0.28 0.00 1.07 0.41 0.00 0.00 173.24 175.03 1pqh n THR 57 N 2.50 0.00 -4.02 1.44 5.66 -0.19 -5.00 114.28 114.68 1pqh n THR 57 Ca -0.16 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.76 1pqh n THR 57 Cb 0.52 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.21 1pqh n THR 57 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1pqh s TYR 58 N -1.36 0.48 0.21 1.09 1.13 -1.26 -1.12 117.35 116.53 1pqh s TYR 58 Ca 0.00 -0.93 0.08 0.00 -1.41 0.00 0.00 57.07 54.81 1pqh s TYR 58 Cb 0.00 -0.27 -0.05 0.00 -1.10 0.00 0.00 41.96 40.54 1pqh s TYR 58 CO 0.00 -0.51 -0.15 0.00 -2.51 0.00 0.00 175.55 172.39 1pqh s ALA 59 N -3.94 2.06 0.39 9.51 0.00 -1.23 -4.22 121.76 124.33 1pqh s ALA 59 Ca 0.12 -1.67 0.08 0.00 0.00 0.00 0.00 51.96 50.49 1pqh s ALA 59 Cb 0.06 -0.10 -0.06 0.00 0.00 0.00 0.00 23.12 23.02 1pqh s ALA 59 CO -0.06 0.08 0.10 0.96 0.00 0.00 0.00 175.76 176.84 1pqh s ILE 60 N -2.92 2.33 0.10 0.00 -4.36 -0.46 -0.31 121.20 115.58 1pqh s ILE 60 Ca 0.23 -1.83 -0.30 0.00 -0.26 0.00 0.00 60.65 58.48 1pqh s ILE 60 Cb -0.01 -2.95 -0.05 0.00 1.25 0.00 0.00 42.46 40.70 1pqh s ILE 60 CO 0.07 -0.06 0.98 0.00 0.24 0.00 0.00 174.94 176.18 1pqh s ALA 61 N -2.60 3.24 0.50 2.27 0.00 -1.26 -1.42 121.76 122.49 1pqh s ALA 61 Ca 0.38 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1pqh s ALA 61 Cb 0.04 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.87 1pqh s ALA 61 CO 0.21 -0.08 0.73 0.00 0.00 0.00 0.00 175.76 176.61 1pqh s ALA 62 N 0.16 3.76 0.28 0.00 0.00 0.12 -4.71 121.76 121.36 1pqh s ALA 62 Ca 0.48 -1.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.03 1pqh s ALA 62 Cb -0.24 -2.16 -0.12 0.00 0.00 0.00 0.00 23.12 20.60 1pqh s ALA 62 CO 0.30 -0.54 1.46 -1.91 0.00 0.00 0.00 175.76 175.07 1pqh n GLU 63 N -2.21 2.33 -1.68 0.00 2.13 -1.26 -1.77 120.64 118.18 1pqh n GLU 63 Ca 0.04 0.83 -0.45 0.00 0.66 0.00 0.00 57.16 58.23 1pqh n GLU 63 Cb 0.58 -2.52 -0.03 0.00 0.27 0.00 0.00 31.44 29.74 1pqh n GLU 63 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1pqh n ARG 64 N 1.76 2.19 -0.26 5.31 1.74 -1.26 -1.93 116.66 124.22 1pqh n ARG 64 Ca 0.09 0.79 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 1pqh n ARG 64 Cb 0.34 -2.53 0.00 0.00 -1.02 0.00 0.00 32.46 29.26 1pqh n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pqh n GLY 65 N 2.96 1.60 0.20 -0.13 0.00 -1.26 -4.90 105.19 103.65 1pqh n GLY 65 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.24 1pqh n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pqh h SER 66 N 0.00 0.00 -1.99 1.61 4.64 -1.75 -3.47 113.55 112.59 1pqh h SER 66 Ca 0.00 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.92 1pqh h SER 66 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.01 1pqh h SER 66 CO 0.00 0.33 -0.45 0.54 -0.87 0.00 0.00 176.83 176.38 1pqh n ARG 67 N -3.45 -1.49 -2.59 4.77 1.74 -1.26 -4.96 116.66 109.42 1pqh n ARG 67 Ca 0.00 1.06 -0.41 0.00 -0.77 0.00 0.00 57.85 57.73 1pqh n ARG 67 Cb 0.50 -5.55 -0.04 0.00 -1.02 0.00 0.00 32.46 26.35 1pqh n ARG 67 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1pqh s ILE 68 N -2.88 4.02 -0.29 0.55 1.01 -1.26 -4.85 121.20 117.51 1pqh s ILE 68 Ca 0.00 1.76 0.00 0.00 0.00 0.00 0.00 60.65 62.42 1pqh s ILE 68 Cb 0.00 -4.13 0.09 0.00 0.01 0.00 0.00 42.46 38.43 1pqh s ILE 68 CO 0.00 0.31 0.06 -0.63 0.00 0.00 0.00 174.94 174.68 1pqh s ILE 69 N -0.30 1.18 -0.21 2.92 -1.09 -1.26 -1.47 121.20 120.98 1pqh s ILE 69 Ca 0.48 -1.45 -0.03 0.00 -2.23 0.00 0.00 60.65 57.41 1pqh s ILE 69 Cb -0.28 -1.80 -0.01 0.00 -1.58 0.00 0.00 42.46 38.80 1pqh s ILE 69 CO 0.34 -0.53 -0.06 -0.55 -1.23 0.00 0.00 174.94 172.91 1pqh s SER 70 N 1.48 4.24 -0.35 3.58 0.15 0.15 -0.39 113.70 122.56 1pqh s SER 70 Ca 0.06 -0.39 0.02 0.00 0.70 0.00 0.00 55.95 56.34 1pqh s SER 70 Cb -0.18 -1.72 0.10 0.00 -1.71 0.00 0.00 66.02 62.51 1pqh s SER 70 CO -0.18 -0.00 0.07 -0.69 1.20 0.00 0.00 173.24 173.65 1pqh s VAL 71 N 1.36 2.58 0.46 4.45 1.01 0.05 -1.06 120.40 129.27 1pqh s VAL 71 Ca 0.04 -2.15 0.01 0.00 0.00 0.00 0.00 61.98 59.88 1pqh s VAL 71 Cb -0.14 -2.81 -0.00 0.00 0.00 0.00 0.00 36.38 33.43 1pqh s VAL 71 CO -0.03 -0.54 0.03 0.59 0.00 0.00 0.00 175.10 175.14 1pqh n ASN 72 N 4.38 2.91 0.00 3.32 3.02 -1.26 -3.43 115.26 124.20 1pqh n ASN 72 Ca -0.00 -3.10 0.00 0.00 -0.03 0.00 0.00 54.58 51.45 1pqh n ASN 72 Cb 0.42 0.46 0.00 0.00 -0.61 0.00 0.00 39.78 40.05 1pqh n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pqh n GLY 73 N -0.71 1.43 0.34 7.41 0.00 -0.75 -2.50 105.19 110.41 1pqh n GLY 73 Ca -0.17 -0.62 0.12 0.00 0.00 0.00 0.00 46.02 45.35 1pqh n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pqh h ALA 74 N -0.78 2.07 0.00 4.61 0.00 -1.83 -1.71 119.26 121.62 1pqh h ALA 74 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pqh h ALA 74 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1pqh h ALA 74 CO 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.07 1pqh h ALA 75 N 1.74 1.00 0.00 0.00 0.00 -1.82 -1.77 119.26 118.42 1pqh h ALA 75 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1pqh h ALA 75 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1pqh h ALA 75 CO -0.05 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.20 1pqh h ALA 76 N 2.08 1.00 0.00 0.00 0.00 -1.35 -3.08 119.26 117.90 1pqh h ALA 76 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pqh h ALA 76 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1pqh h ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1pqh n HIS 77 N -2.61 0.00 -1.03 0.00 8.25 -0.67 -4.69 115.22 114.47 1pqh n HIS 77 Ca -0.01 -0.33 -0.33 0.00 -0.26 0.00 0.00 57.72 56.79 1pqh n HIS 77 Cb 0.13 -0.21 0.02 0.00 1.12 0.00 0.00 29.99 31.05 1pqh n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pqh n ALA 79 N 0.75 -3.63 -2.43 -1.41 0.00 -1.17 -5.17 120.51 107.45 1pqh n ALA 79 Ca 0.00 -0.22 -0.21 0.00 0.00 0.00 0.00 53.44 53.00 1pqh n ALA 79 Cb 0.31 -1.16 -0.11 0.00 0.00 0.00 0.00 19.45 18.49 1pqh n ALA 79 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1pqh s SER 80 N -0.88 2.75 0.20 0.00 0.01 -1.26 -4.91 113.70 109.60 1pqh s SER 80 Ca 0.45 -0.92 -0.33 0.00 1.31 0.00 0.00 55.95 56.47 1pqh s SER 80 Cb -0.35 -0.17 -0.14 0.00 0.21 0.00 0.00 66.02 65.58 1pqh s SER 80 CO 0.63 -0.06 1.41 0.52 0.41 0.00 0.00 173.24 176.15 1pqh n VAL 81 N 0.04 0.63 0.00 3.43 0.31 -1.26 -1.50 118.33 119.97 1pqh n VAL 81 Ca -0.11 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1pqh n VAL 81 Cb 0.58 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 1pqh n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pqh n GLY 82 N 2.48 2.24 3.76 2.92 0.00 0.10 -4.98 105.19 111.73 1pqh n GLY 82 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1pqh n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pqh s ASP 83 N -1.66 6.00 -0.18 1.61 1.01 -0.56 -4.67 116.67 118.22 1pqh s ASP 83 Ca 0.00 2.67 -0.14 0.00 0.71 0.00 0.00 52.55 55.78 1pqh s ASP 83 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 1pqh s ASP 83 CO 0.00 -1.06 0.33 -0.63 0.21 0.00 0.00 175.17 174.02 1pqh s ILE 84 N -1.30 5.27 0.19 0.77 -1.09 -1.26 -0.78 121.20 122.99 1pqh s ILE 84 Ca 0.62 0.59 0.05 0.00 -2.23 0.00 0.00 60.65 59.68 1pqh s ILE 84 Cb -0.38 -3.67 -0.05 0.00 -1.58 0.00 0.00 42.46 36.79 1pqh s ILE 84 CO 0.48 0.33 -0.07 0.68 -1.23 0.00 0.00 174.94 175.13 1pqh s VAL 85 N 0.84 1.21 -0.08 2.92 -7.23 0.18 -0.27 120.40 117.96 1pqh s VAL 85 Ca 0.17 -2.07 0.05 0.00 -1.81 0.00 0.00 61.98 58.31 1pqh s VAL 85 Cb -0.14 -2.07 -0.01 0.00 0.56 0.00 0.00 36.38 34.72 1pqh s VAL 85 CO 0.06 -0.56 -0.23 -0.63 -0.31 0.00 0.00 175.10 173.43 1pqh s ILE 86 N -3.31 2.23 -0.12 -0.62 1.01 0.16 -1.56 121.20 118.99 1pqh s ILE 86 Ca 0.22 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.92 1pqh s ILE 86 Cb 0.03 -1.84 0.01 0.00 0.01 0.00 0.00 42.46 40.67 1pqh s ILE 86 CO 0.05 0.56 -0.22 -0.63 0.00 0.00 0.00 174.94 174.69 1pqh s ILE 87 N 0.03 2.03 0.06 2.92 1.01 -0.73 -0.88 121.20 125.64 1pqh s ILE 87 Ca -0.09 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.63 1pqh s ILE 87 Cb -0.15 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.51 1pqh s ILE 87 CO 0.06 0.55 -0.12 0.00 0.00 0.00 0.00 174.94 175.42 1pqh s ALA 88 N 0.63 1.00 0.16 9.38 0.00 0.06 -0.31 121.76 132.68 1pqh s ALA 88 Ca -0.12 -0.92 0.07 0.00 0.00 0.00 0.00 51.96 50.99 1pqh s ALA 88 Cb -0.16 -0.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 1pqh s ALA 88 CO 0.02 0.11 -0.16 -1.54 0.00 0.00 0.00 175.76 174.20 1pqh s SER 89 N -1.67 2.42 0.03 0.00 1.04 -0.61 -0.58 113.70 114.34 1pqh s SER 89 Ca -0.04 -0.89 0.06 0.00 0.48 0.00 0.00 55.95 55.55 1pqh s SER 89 Cb -0.10 -0.12 -0.02 0.00 0.10 0.00 0.00 66.02 65.88 1pqh s SER 89 CO 0.02 -0.11 -0.16 -0.36 0.98 0.00 0.00 173.24 173.60 1pqh s PHE 90 N -2.35 1.44 0.24 5.02 0.40 -1.26 -0.33 117.98 121.14 1pqh s PHE 90 Ca 0.15 -0.34 0.07 0.00 -0.60 0.00 0.00 56.93 56.21 1pqh s PHE 90 Cb -0.04 -0.86 -0.05 0.00 0.51 0.00 0.00 43.02 42.58 1pqh s PHE 90 CO 0.05 0.05 -0.09 0.14 0.70 0.00 0.00 175.22 176.07 1pqh s VAL 91 N -0.76 1.61 0.12 -0.44 -7.23 -0.03 -4.80 120.40 108.88 1pqh s VAL 91 Ca 0.04 -2.15 0.07 0.00 -1.81 0.00 0.00 61.98 58.13 1pqh s VAL 91 Cb -0.08 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 1pqh s VAL 91 CO 0.01 -0.44 -0.08 0.42 -0.31 0.00 0.00 175.10 174.70 1pqh s THR 92 N -3.04 3.45 0.10 5.32 -4.23 -1.26 -0.33 115.64 115.65 1pqh s THR 92 Ca 0.26 -1.30 -0.25 0.00 -1.18 0.00 0.00 61.69 59.21 1pqh s THR 92 Cb 0.02 -2.64 0.08 0.00 1.34 0.00 0.00 72.50 71.30 1pqh s THR 92 CO 0.09 0.06 0.75 0.00 -0.54 0.00 0.00 174.62 174.98 1pqh s MET 93 N -2.37 1.13 0.71 3.99 0.23 -0.71 -4.98 119.30 117.30 1pqh s MET 93 Ca 0.23 -0.46 -0.16 0.00 -1.03 0.00 0.00 55.69 54.27 1pqh s MET 93 Cb -0.11 0.49 0.03 0.00 -1.53 0.00 0.00 34.83 33.71 1pqh s MET 93 CO 0.15 -0.50 1.24 -2.14 -2.03 0.00 0.00 175.02 171.74 1pqh s PRO 94 N -3.48 2.23 0.27 3.16 0.02 -1.26 -0.63 135.00 135.30 1pqh s PRO 94 Ca 0.04 1.87 0.00 0.00 0.02 0.00 0.00 61.00 62.94 1pqh s PRO 94 Cb -0.01 -1.83 0.60 0.00 0.02 0.00 0.00 34.50 33.28 1pqh s PRO 94 CO -0.09 -1.80 1.72 0.22 -0.33 0.00 0.00 177.00 176.72 1pqh h ASP 95 N -0.05 0.34 -0.93 2.53 3.58 -1.48 -1.00 116.42 119.41 1pqh h ASP 95 Ca -0.49 0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.11 1pqh h ASP 95 Cb 1.31 0.10 -0.05 0.00 1.72 0.00 0.00 39.33 42.41 1pqh h ASP 95 CO 0.50 0.07 0.62 -0.08 -2.88 0.00 0.00 179.24 177.47 1pqh h GLU 96 N 0.45 1.20 0.09 0.28 4.22 -1.90 -1.93 114.58 116.99 1pqh h GLU 96 Ca 0.49 -0.07 -0.27 0.00 0.08 0.00 0.00 59.36 59.59 1pqh h GLU 96 Cb 0.84 -0.27 0.01 0.00 0.50 0.00 0.00 28.75 29.83 1pqh h GLU 96 CO -0.46 0.80 -1.16 0.93 -2.18 0.00 0.00 179.01 176.94 1pqh h GLU 97 N 1.24 0.43 0.00 1.92 5.08 -1.68 -3.31 114.58 118.26 1pqh h GLU 97 Ca 0.35 -0.58 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1pqh h GLU 97 Cb -0.11 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1pqh h GLU 97 CO -0.08 1.24 -0.02 0.00 -1.00 0.00 0.00 179.01 179.14 1pqh h ALA 98 N 0.54 1.96 0.00 3.43 0.00 -0.48 -2.32 119.26 122.38 1pqh h ALA 98 Ca -0.14 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1pqh h ALA 98 Cb 1.84 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.62 1pqh h ALA 98 CO 0.20 0.02 -0.09 0.00 0.00 0.00 0.00 179.25 179.39 1pqh h ARG 99 N 0.00 0.00 -0.11 0.00 3.08 -1.49 -2.66 114.38 113.20 1pqh h ARG 99 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1pqh h ARG 99 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1pqh h ARG 99 CO 0.00 0.09 0.00 0.25 -1.07 0.00 0.00 179.97 179.24 1pqh n THR 100 N -3.54 0.63 -1.81 2.04 -2.24 -0.90 -5.06 114.28 103.40 1pqh n THR 100 Ca -0.02 -0.81 -0.40 0.00 -2.27 0.00 0.00 64.05 60.55 1pqh n THR 100 Cb 0.21 0.73 0.01 0.00 -2.10 0.00 0.00 70.33 69.19 1pqh n THR 100 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1pqh s TRP 101 N -0.79 2.49 -0.17 4.78 -0.11 -1.01 -5.01 118.94 119.11 1pqh s TRP 101 Ca 0.09 1.26 0.01 0.00 1.22 0.00 0.00 56.10 58.68 1pqh s TRP 101 Cb 0.05 -3.92 0.03 0.00 -1.50 0.00 0.00 33.47 28.13 1pqh s TRP 101 CO 0.07 -2.91 -0.16 1.03 -4.62 0.00 0.00 176.95 170.36 1pqh s ARG 102 N -2.40 2.52 0.82 5.86 0.52 -1.26 -5.07 118.95 119.94 1pqh s ARG 102 Ca 0.60 -0.72 -0.11 0.00 -0.52 0.00 0.00 55.73 54.97 1pqh s ARG 102 Cb -0.44 -2.35 0.08 0.00 0.52 0.00 0.00 34.95 32.77 1pqh s ARG 102 CO 0.57 -0.26 1.09 -2.14 0.02 0.00 0.00 175.30 174.57 1pqh s PRO 103 N 1.39 1.87 -0.43 3.54 0.02 -1.26 -5.01 135.00 135.12 1pqh s PRO 103 Ca 0.04 0.80 -0.14 0.00 0.02 0.00 0.00 61.00 61.72 1pqh s PRO 103 Cb -0.14 -1.88 0.05 0.00 0.02 0.00 0.00 34.50 32.55 1pqh s PRO 103 CO -0.11 -1.81 0.31 -0.80 -0.33 0.00 0.00 177.00 174.26 1pqh s ASN 104 N -3.65 5.99 -0.16 2.53 0.01 -0.09 -4.94 114.94 114.64 1pqh s ASN 104 Ca 0.62 -1.14 -0.02 0.00 -0.71 0.00 0.00 52.86 51.60 1pqh s ASN 104 Cb -0.16 -2.12 -0.01 0.00 0.41 0.00 0.00 41.25 39.36 1pqh s ASN 104 CO 0.56 -0.52 -0.09 -0.69 -1.51 0.00 0.00 177.10 174.85 1pqh s VAL 105 N 1.61 3.27 -0.10 1.60 1.01 -1.26 -0.74 120.40 125.79 1pqh s VAL 105 Ca 0.04 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1pqh s VAL 105 Cb -0.21 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1pqh s VAL 105 CO 0.07 0.49 -0.16 0.00 0.00 0.00 0.00 175.10 175.50 1pqh s ALA 106 N 0.72 2.54 -0.01 5.51 0.00 -0.41 -4.97 121.76 125.15 1pqh s ALA 106 Ca -0.04 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 50.99 1pqh s ALA 106 Cb -0.15 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 1pqh s ALA 106 CO 0.02 0.35 0.02 0.71 0.00 0.00 0.00 175.76 176.86 1pqh s TYR 107 N 0.01 3.14 0.07 0.00 2.02 -1.26 -0.72 117.35 120.61 1pqh s TYR 107 Ca -0.05 0.13 0.04 0.00 -0.37 0.00 0.00 57.07 56.81 1pqh s TYR 107 Cb -0.14 -1.70 -0.03 0.00 -0.40 0.00 0.00 41.96 39.69 1pqh s TYR 107 CO 0.04 0.49 -0.11 -0.06 -1.57 0.00 0.00 175.55 174.35 1pqh s PHE 108 N -1.10 1.00 0.14 2.71 0.40 -1.05 -1.16 117.98 118.92 1pqh s PHE 108 Ca 0.20 -0.55 -0.01 0.00 -0.60 0.00 0.00 56.93 55.98 1pqh s PHE 108 Cb -0.12 -0.56 -0.04 0.00 0.51 0.00 0.00 43.02 42.81 1pqh s PHE 108 CO 0.11 -0.01 0.05 -1.83 0.70 0.00 0.00 175.22 174.24 1pqh s GLU 109 N -2.10 0.98 4.24 0.44 -1.05 -0.56 -4.82 118.70 115.83 1pqh s GLU 109 Ca -0.01 -1.47 0.00 0.00 -0.15 0.00 0.00 54.97 53.33 1pqh s GLU 109 Cb -0.07 0.15 0.00 0.00 -0.44 0.00 0.00 34.13 33.77 1pqh s GLU 109 CO 0.01 -0.25 0.00 0.41 0.95 0.00 0.00 175.26 176.38 1pqh n GLY 110 N -0.13 2.74 2.83 -3.83 0.00 -1.26 -1.13 105.19 104.40 1pqh n GLY 110 Ca -0.05 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 1pqh n GLY 110 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pqh n ASP 111 N 1.57 5.02 -3.85 1.61 2.03 -1.26 -4.56 116.55 117.11 1pqh n ASP 111 Ca 0.00 -3.07 -0.27 0.00 0.52 0.00 0.00 54.79 51.96 1pqh n ASP 111 Cb 0.00 -1.50 0.03 0.00 -0.72 0.00 0.00 41.12 38.93 1pqh n ASP 111 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1pqh n ASN 112 N 4.10 -3.51 -4.59 1.67 3.02 -1.15 -4.95 115.26 109.84 1pqh n ASN 112 Ca 0.42 -0.80 -0.41 0.00 -0.03 0.00 0.00 54.58 53.76 1pqh n ASN 112 Cb 0.36 -3.91 -0.06 0.00 -0.61 0.00 0.00 39.78 35.56 1pqh n ASN 112 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1pqh s GLU 113 N -6.42 3.86 0.19 3.52 0.41 -0.28 -4.91 118.70 115.06 1pqh s GLU 113 Ca 0.44 0.30 -0.30 0.00 -0.41 0.00 0.00 54.97 54.99 1pqh s GLU 113 Cb -0.22 -3.75 -0.08 0.00 -1.78 0.00 0.00 34.13 28.30 1pqh s GLU 113 CO 0.83 -0.64 1.16 1.41 -0.49 0.00 0.00 175.26 177.53 1pqh s MET 114 N 2.72 4.53 0.00 1.61 1.75 -1.26 -1.50 119.30 127.15 1pqh s MET 114 Ca 0.27 1.82 0.30 0.00 -1.25 0.00 0.00 55.69 56.82 1pqh s MET 114 Cb -0.15 -3.25 1.46 0.00 2.84 0.00 0.00 34.83 35.73 1pqh s MET 114 CO 0.13 -0.02 1.98 1.63 -0.65 0.00 0.00 175.02 178.09