#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pqe s ILE 2 N 0.00 3.05 0.05 3.17 -1.09 -1.26 -1.68 121.20 123.44 1pqe s ILE 2 Ca 0.00 -0.65 -0.02 0.00 -2.23 0.00 0.00 60.65 57.74 1pqe s ILE 2 Cb 0.00 -2.29 -0.04 0.00 -1.58 0.00 0.00 42.46 38.54 1pqe s ILE 2 CO 0.00 0.52 0.24 -0.13 -1.23 0.00 0.00 174.94 174.34 1pqe s ARG 3 N 0.48 3.49 -0.31 2.79 1.81 0.42 -4.90 118.95 122.73 1pqe s ARG 3 Ca -0.09 -0.30 -0.13 0.00 -1.72 0.00 0.00 55.73 53.49 1pqe s ARG 3 Cb -0.16 -3.02 -0.03 0.00 -0.45 0.00 0.00 34.95 31.30 1pqe s ARG 3 CO 0.04 0.60 0.27 0.99 -0.68 0.00 0.00 175.30 176.53 1pqe s THR 4 N -1.47 5.25 0.05 0.02 2.01 -1.26 -1.75 115.64 118.48 1pqe s THR 4 Ca 0.34 0.07 0.09 0.00 0.31 0.00 0.00 61.69 62.50 1pqe s THR 4 Cb -0.13 -3.68 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 1pqe s THR 4 CO 0.24 0.07 -0.26 -0.04 -0.69 0.00 0.00 174.62 173.94 1pqe s MET 5 N 1.86 1.74 -0.01 4.92 1.00 0.69 -4.95 119.30 124.54 1pqe s MET 5 Ca 0.09 -1.10 -0.30 0.00 0.00 0.00 0.00 55.69 54.37 1pqe s MET 5 Cb -0.17 -1.92 -0.09 0.00 0.00 0.00 0.00 34.83 32.65 1pqe s MET 5 CO 0.11 0.50 2.00 -0.11 0.00 0.00 0.00 175.02 177.52 1pqe n LEU 6 N 1.75 3.98 -0.03 -0.03 7.94 -1.26 -0.94 117.00 128.40 1pqe n LEU 6 Ca -0.17 0.82 -0.16 0.00 -1.11 0.00 0.00 56.01 55.38 1pqe n LEU 6 Cb 0.52 -1.51 -0.14 0.00 0.53 0.00 0.00 43.42 42.82 1pqe n LEU 6 CO 0.23 0.06 0.23 -0.61 -1.11 0.00 0.00 177.39 176.20 1pqe h GLN 7 N 11.07 0.10 -1.49 1.96 -0.00 -1.18 -3.38 115.11 122.20 1pqe h GLN 7 Ca -0.49 -0.18 0.27 0.00 -0.00 0.00 0.00 58.65 58.26 1pqe h GLN 7 Cb 1.24 0.07 -0.16 0.00 0.00 0.00 0.00 27.48 28.62 1pqe h GLN 7 CO 0.94 1.08 0.81 0.20 0.00 0.00 0.00 178.83 181.87 1pqe s GLY 8 N -4.32 -0.33 0.02 2.39 0.00 -1.18 -1.20 107.32 102.70 1pqe s GLY 8 Ca -0.18 1.28 -0.09 0.00 0.00 0.00 0.00 44.72 45.74 1pqe s GLY 8 CO 0.73 0.39 0.18 -1.59 0.00 0.00 0.00 173.10 172.82 1pqe s LYS 9 N -2.44 0.61 -0.36 2.90 -2.85 -0.32 -1.47 119.74 115.81 1pqe s LYS 9 Ca 0.11 -0.50 -0.17 0.00 -1.00 0.00 0.00 55.97 54.41 1pqe s LYS 9 Cb 0.01 0.25 -0.00 0.00 -2.06 0.00 0.00 37.83 36.03 1pqe s LYS 9 CO -0.04 -0.16 0.44 -0.51 0.10 0.00 0.00 175.35 175.17 1pqe s LEU 10 N -1.75 4.46 -0.35 2.77 1.43 0.85 -1.39 118.68 124.70 1pqe s LEU 10 Ca -0.10 -0.21 -0.15 0.00 -1.03 0.00 0.00 54.13 52.64 1pqe s LEU 10 Cb -0.04 -2.45 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 1pqe s LEU 10 CO -0.01 -0.43 0.37 -2.28 0.23 0.00 0.00 176.35 174.22 1pqe s HIS 11 N 2.20 3.21 -1.22 0.29 2.46 0.47 -1.15 115.29 121.55 1pqe s HIS 11 Ca 0.15 -0.09 -0.00 0.00 0.47 0.00 0.00 55.06 55.59 1pqe s HIS 11 Cb -0.16 -2.69 0.00 0.00 -0.13 0.00 0.00 32.58 29.60 1pqe s HIS 11 CO 0.13 -0.47 0.96 0.54 -2.47 0.00 0.00 174.74 173.43 1pqe n ARG 12 N 5.40 -6.43 -2.50 2.88 1.74 -0.90 -3.88 116.66 112.95 1pqe n ARG 12 Ca -0.09 0.82 -0.30 0.00 -0.77 0.00 0.00 57.85 57.51 1pqe n ARG 12 Cb 0.49 -5.78 -0.01 0.00 -1.02 0.00 0.00 32.46 26.13 1pqe n ARG 12 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1pqe s VAL 13 N -3.40 4.76 -0.13 1.55 -7.23 -0.52 -4.69 120.40 110.74 1pqe s VAL 13 Ca 0.01 0.67 -0.05 0.00 -1.81 0.00 0.00 61.98 60.80 1pqe s VAL 13 Cb -0.00 -3.80 -0.04 0.00 0.56 0.00 0.00 36.38 33.10 1pqe s VAL 13 CO 0.74 -0.77 0.05 -1.59 -0.31 0.00 0.00 175.10 173.22 1pqe s LYS 14 N -4.41 3.49 0.11 4.82 0.00 -1.26 -0.71 119.74 121.78 1pqe s LYS 14 Ca 0.52 -0.33 -0.31 0.00 0.00 0.00 0.00 55.97 55.85 1pqe s LYS 14 Cb -0.10 -3.04 -0.09 0.00 0.00 0.00 0.00 37.83 34.59 1pqe s LYS 14 CO 0.40 0.54 1.53 0.08 0.00 0.00 0.00 175.35 177.90 1pqe s VAL 15 N -0.38 2.98 -0.13 1.79 1.01 0.05 -4.50 120.40 121.22 1pqe s VAL 15 Ca 0.09 0.63 0.20 0.00 0.00 0.00 0.00 61.98 62.89 1pqe s VAL 15 Cb -0.12 -3.40 -0.29 0.00 0.00 0.00 0.00 36.38 32.57 1pqe s VAL 15 CO 0.02 0.03 0.25 0.35 0.00 0.00 0.00 175.10 175.75 1pqe n THR 16 N 4.21 0.79 -3.82 3.92 -2.24 0.50 -0.84 114.28 116.81 1pqe n THR 16 Ca 0.14 -0.70 -0.12 0.00 -2.27 0.00 0.00 64.05 61.09 1pqe n THR 16 Cb 0.40 -0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 68.27 1pqe n THR 16 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1pqe s HIS 17 N -2.93 -0.08 -0.20 4.78 3.76 -1.06 -4.88 115.29 114.67 1pqe s HIS 17 Ca -0.09 0.11 -0.04 0.00 -0.15 0.00 0.00 55.06 54.89 1pqe s HIS 17 Cb 0.09 0.03 0.10 0.00 1.11 0.00 0.00 32.58 33.91 1pqe s HIS 17 CO 0.86 -0.31 0.28 0.00 -0.85 0.00 0.00 174.74 174.72 1pqe s ALA 18 N -1.21 -0.59 -0.18 -1.40 0.00 -1.26 -1.45 121.76 115.67 1pqe s ALA 18 Ca -0.13 0.62 -0.02 0.00 0.00 0.00 0.00 51.96 52.43 1pqe s ALA 18 Cb -0.06 -1.36 0.05 0.00 0.00 0.00 0.00 23.12 21.75 1pqe s ALA 18 CO 0.03 -1.10 0.01 -0.51 0.00 0.00 0.00 175.76 174.19 1pqe s ASP 19 N 2.42 2.86 0.40 0.00 -0.00 -0.83 -4.99 116.67 116.53 1pqe s ASP 19 Ca 0.07 -0.76 0.07 0.00 -0.00 0.00 0.00 52.55 51.93 1pqe s ASP 19 Cb -0.15 -0.68 0.84 0.00 -0.00 0.00 0.00 42.92 42.93 1pqe s ASP 19 CO -0.12 -0.27 2.03 -0.07 -0.00 0.00 0.00 175.17 176.73 1pqe h LEU 20 N 8.21 0.52 -8.21 1.23 3.38 -1.84 -1.98 115.31 116.62 1pqe h LEU 20 Ca -0.18 -0.01 -0.54 0.00 0.09 0.00 0.00 57.88 57.25 1pqe h LEU 20 Cb 1.11 -0.12 -0.31 0.00 0.09 0.00 0.00 40.66 41.43 1pqe h LEU 20 CO 0.34 0.36 -0.83 -1.00 0.09 0.00 0.00 178.44 177.41 1pqe s HIS 21 N -5.54 1.55 0.00 1.13 3.76 -1.26 -3.41 115.29 111.53 1pqe s HIS 21 Ca -0.09 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.42 1pqe s HIS 21 Cb 0.18 -1.04 0.00 0.00 1.11 0.00 0.00 32.58 32.83 1pqe s HIS 21 CO 0.74 -0.13 0.00 2.48 -0.85 0.00 0.00 174.74 176.99 1pqe n TYR 22 N 3.06 0.00 -0.67 1.40 4.11 -1.26 -4.95 117.16 118.85 1pqe n TYR 22 Ca -0.17 0.00 0.09 0.00 -0.00 0.00 0.00 57.90 57.82 1pqe n TYR 22 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.85 1pqe n TYR 22 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 1pqe n GLU 23 N 0.00 -1.35 -0.42 -3.48 1.02 -1.26 -4.37 120.64 110.78 1pqe n GLU 23 Ca 0.00 0.89 0.00 0.00 -0.02 0.00 0.00 57.16 58.03 1pqe n GLU 23 Cb 0.00 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 1pqe n GLU 23 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pqe n GLY 24 N -2.54 2.99 7.00 0.62 0.00 -1.26 -2.87 105.19 109.13 1pqe n GLY 24 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1pqe n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pqe n ALA 25 N -3.00 0.00 -3.95 4.61 0.00 -1.24 -4.60 120.51 112.33 1pqe n ALA 25 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1pqe n ALA 25 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 1pqe n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pqe s ALA 27 N 1.45 3.37 -0.04 0.00 0.00 -0.46 -1.37 121.76 124.71 1pqe s ALA 27 Ca -0.02 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1pqe s ALA 27 Cb -0.17 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 19.86 1pqe s ALA 27 CO -0.07 -0.32 -0.02 0.42 0.00 0.00 0.00 175.76 175.77 1pqe s ILE 28 N 1.32 0.36 -0.29 0.00 1.01 -0.07 -0.72 121.20 122.81 1pqe s ILE 28 Ca 0.40 0.00 -0.41 0.00 0.00 0.00 0.00 60.65 60.64 1pqe s ILE 28 Cb -0.18 -0.44 -0.19 0.00 0.01 0.00 0.00 42.46 41.67 1pqe s ILE 28 CO 0.18 0.20 1.31 -0.67 0.00 0.00 0.00 174.94 175.95 1pqe n ASP 29 N 4.26 0.70 0.13 3.58 -0.08 -0.50 -0.57 116.55 124.07 1pqe n ASP 29 Ca -0.23 1.10 0.17 0.00 -1.51 0.00 0.00 54.79 54.33 1pqe n ASP 29 Cb 0.50 -0.84 0.75 0.00 2.34 0.00 0.00 41.12 43.88 1pqe n ASP 29 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1pqe h GLN 30 N 3.96 0.00 -0.35 -0.67 5.75 -1.53 0.19 115.11 122.45 1pqe h GLN 30 Ca -0.44 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 57.96 1pqe h GLN 30 Cb 1.30 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.84 1pqe h GLN 30 CO 0.80 0.00 -0.22 -0.44 -2.65 0.00 0.00 178.83 176.32 1pqe h ASP 31 N 0.00 0.69 -0.30 -0.69 3.32 -1.87 -0.75 116.42 116.81 1pqe h ASP 31 Ca 0.14 -0.24 -0.11 0.00 0.02 0.00 0.00 57.03 56.84 1pqe h ASP 31 Cb 0.66 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1pqe h ASP 31 CO -0.00 0.90 -0.24 -0.26 -1.72 0.00 0.00 179.24 177.92 1pqe h PHE 32 N 0.60 0.83 -0.53 4.55 0.04 -0.99 -2.07 116.94 119.37 1pqe h PHE 32 Ca 0.09 -0.24 0.02 0.00 2.80 0.00 0.00 57.97 60.64 1pqe h PHE 32 Cb 0.70 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.64 1pqe h PHE 32 CO 0.03 0.97 0.33 -0.07 -0.60 0.00 0.00 178.31 178.98 1pqe h LEU 33 N 0.46 0.56 -0.47 1.54 3.38 -1.04 -2.28 115.31 117.46 1pqe h LEU 33 Ca 0.06 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1pqe h LEU 33 Cb 0.80 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1pqe h LEU 33 CO 0.06 0.40 0.14 0.44 0.09 0.00 0.00 178.44 179.58 1pqe h ASP 34 N 0.67 0.68 -0.77 -0.43 3.32 -1.05 0.70 116.42 119.54 1pqe h ASP 34 Ca 0.21 -0.21 0.09 0.00 0.02 0.00 0.00 57.03 57.14 1pqe h ASP 34 Cb -0.02 -0.18 -0.07 0.00 0.22 0.00 0.00 39.33 39.28 1pqe h ASP 34 CO -0.07 0.71 0.42 0.00 -1.72 0.00 0.00 179.24 178.58 1pqe h ALA 35 N 1.00 1.09 -0.01 3.45 0.00 -1.11 -2.24 119.26 121.44 1pqe h ALA 35 Ca 0.15 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1pqe h ALA 35 Cb 0.27 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1pqe h ALA 35 CO -0.00 0.04 -0.20 0.00 0.00 0.00 0.00 179.25 179.08 1pqe n ALA 36 N -2.39 2.97 -1.32 0.00 0.00 -0.88 -4.63 120.51 114.27 1pqe n ALA 36 Ca 0.12 -0.40 -0.09 0.00 0.00 0.00 0.00 53.44 53.07 1pqe n ALA 36 Cb 0.27 -1.15 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 1pqe n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pqe n GLY 37 N 1.31 1.00 3.81 0.00 0.00 -0.35 -4.01 105.19 106.96 1pqe n GLY 37 Ca 0.13 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 1pqe n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pqe s ILE 38 N -2.34 4.74 0.10 -0.61 1.01 0.10 -4.95 121.20 119.24 1pqe s ILE 38 Ca 0.00 1.17 0.02 0.00 0.00 0.00 0.00 60.65 61.85 1pqe s ILE 38 Cb 0.00 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 1pqe s ILE 38 CO 0.00 0.50 0.16 -0.76 0.00 0.00 0.00 174.94 174.84 1pqe s LEU 39 N -1.25 4.06 0.22 2.97 1.43 -1.26 -4.42 118.68 120.43 1pqe s LEU 39 Ca 0.31 0.09 -0.32 0.00 -1.03 0.00 0.00 54.13 53.18 1pqe s LEU 39 Cb -0.19 -2.69 -0.13 0.00 0.03 0.00 0.00 46.19 43.21 1pqe s LEU 39 CO 0.19 0.14 1.51 1.21 0.23 0.00 0.00 176.35 179.63 1pqe n GLU 40 N 0.14 2.20 -0.99 1.70 2.13 -1.26 -1.96 120.64 122.60 1pqe n GLU 40 Ca -0.07 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.54 1pqe n GLU 40 Cb 0.52 -2.51 0.00 0.00 0.27 0.00 0.00 31.44 29.72 1pqe n GLU 40 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1pqe n ASN 41 N 2.70 -3.10 -4.77 4.31 3.02 0.17 -4.99 115.26 112.60 1pqe n ASN 41 Ca 0.13 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.29 1pqe n ASN 41 Cb 0.31 -0.87 -0.06 0.00 -0.61 0.00 0.00 39.78 38.55 1pqe n ASN 41 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1pqe s GLU 42 N -0.27 4.63 0.27 3.52 2.12 -0.83 -4.76 118.70 123.38 1pqe s GLU 42 Ca 0.00 1.26 -0.31 0.00 0.36 0.00 0.00 54.97 56.28 1pqe s GLU 42 Cb 0.00 -3.17 -0.12 0.00 0.26 0.00 0.00 34.13 31.10 1pqe s GLU 42 CO 0.00 0.50 1.61 0.00 -0.54 0.00 0.00 175.26 176.83 1pqe n ALA 43 N 1.34 2.53 -2.82 6.30 0.00 -1.26 -1.05 120.51 125.55 1pqe n ALA 43 Ca -0.03 0.38 -0.14 0.00 0.00 0.00 0.00 53.44 53.64 1pqe n ALA 43 Cb 0.49 -2.47 -0.12 0.00 0.00 0.00 0.00 19.45 17.35 1pqe n ALA 43 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1pqe s ILE 44 N 0.23 0.61 -0.07 0.00 -4.36 -0.58 -4.61 121.20 112.42 1pqe s ILE 44 Ca 0.67 -0.96 -0.02 0.00 -0.26 0.00 0.00 60.65 60.08 1pqe s ILE 44 Cb -0.51 -0.64 -0.03 0.00 1.25 0.00 0.00 42.46 42.53 1pqe s ILE 44 CO 0.45 -0.26 0.01 -1.81 0.24 0.00 0.00 174.94 173.57 1pqe s ASP 45 N -1.34 5.31 -0.12 4.36 1.01 -0.01 -1.08 116.67 124.81 1pqe s ASP 45 Ca -0.07 0.14 0.01 0.00 0.71 0.00 0.00 52.55 53.35 1pqe s ASP 45 Cb -0.09 -1.50 0.02 0.00 1.01 0.00 0.00 42.92 42.36 1pqe s ASP 45 CO 0.01 0.36 -0.13 -0.63 0.21 0.00 0.00 175.17 174.98 1pqe s ILE 46 N -0.94 1.39 -0.23 0.77 1.01 0.81 -0.89 121.20 123.12 1pqe s ILE 46 Ca 0.15 -0.56 -0.01 0.00 0.00 0.00 0.00 60.65 60.23 1pqe s ILE 46 Cb -0.11 -1.30 0.02 0.00 0.01 0.00 0.00 42.46 41.07 1pqe s ILE 46 CO 0.04 0.42 -0.09 0.26 0.00 0.00 0.00 174.94 175.58 1pqe s TRP 47 N 1.22 3.00 -0.47 3.97 0.51 -0.36 -1.27 118.94 125.55 1pqe s TRP 47 Ca -0.02 -1.53 -0.19 0.00 -2.12 0.00 0.00 56.10 52.24 1pqe s TRP 47 Cb -0.14 -2.03 0.04 0.00 -0.81 0.00 0.00 33.47 30.53 1pqe s TRP 47 CO -0.05 -0.73 0.56 1.21 -0.51 0.00 0.00 176.95 177.43 1pqe s ASN 48 N 1.33 6.23 0.31 2.95 3.84 0.27 -1.01 114.94 128.85 1pqe s ASN 48 Ca 0.01 -0.78 0.06 0.00 0.21 0.00 0.00 52.86 52.36 1pqe s ASN 48 Cb -0.16 -2.27 0.50 0.00 -0.55 0.00 0.00 41.25 38.77 1pqe s ASN 48 CO -0.06 -0.77 1.74 0.58 -2.79 0.00 0.00 177.10 175.80 1pqe h VAL 49 N 5.82 1.27 0.00 -5.21 2.07 -0.99 0.15 116.25 119.36 1pqe h VAL 49 Ca -0.27 -1.32 -0.00 0.00 0.82 0.00 0.00 66.70 65.93 1pqe h VAL 49 Cb 1.10 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1pqe h VAL 49 CO 0.90 0.40 -0.00 0.74 0.02 0.00 0.00 177.57 179.63 1pqe h THR 50 N 0.27 1.35 -0.01 2.57 2.02 -1.89 -3.38 112.91 113.84 1pqe h THR 50 Ca 0.04 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.17 1pqe h THR 50 Cb 0.70 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 1pqe h THR 50 CO 0.05 0.27 -0.05 -0.46 0.37 0.00 0.00 175.52 175.70 1pqe n ASN 51 N -4.88 1.69 0.00 4.18 0.23 -1.22 -5.01 115.26 110.25 1pqe n ASN 51 Ca -0.08 -1.35 0.00 0.00 -0.53 0.00 0.00 54.58 52.62 1pqe n ASN 51 Cb 0.23 0.12 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 1pqe n ASN 51 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pqe n GLY 52 N 0.66 2.33 3.77 4.83 0.00 0.52 -5.02 105.19 112.29 1pqe n GLY 52 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1pqe n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pqe s LYS 53 N -0.02 3.51 -0.06 1.61 1.02 -1.25 -4.72 119.74 119.84 1pqe s LYS 53 Ca 0.00 1.65 0.01 0.00 0.02 0.00 0.00 55.97 57.66 1pqe s LYS 53 Cb 0.00 -2.14 0.02 0.00 -0.52 0.00 0.00 37.83 35.18 1pqe s LYS 53 CO 0.00 -0.73 -0.07 1.03 -0.92 0.00 0.00 175.35 174.66 1pqe s ARG 54 N -3.08 1.15 0.19 1.68 0.52 -1.26 -0.57 118.95 117.58 1pqe s ARG 54 Ca 0.69 -0.20 -0.13 0.00 -0.52 0.00 0.00 55.73 55.57 1pqe s ARG 54 Cb -0.25 -1.10 0.01 0.00 0.52 0.00 0.00 34.95 34.13 1pqe s ARG 54 CO 0.29 -0.08 0.42 -0.59 0.02 0.00 0.00 175.30 175.36 1pqe s PHE 55 N 0.98 0.16 -0.02 -0.53 -0.71 -0.40 -5.00 117.98 112.45 1pqe s PHE 55 Ca -0.10 -0.51 0.04 0.00 -1.04 0.00 0.00 56.93 55.32 1pqe s PHE 55 Cb -0.14 0.18 -0.01 0.00 -1.21 0.00 0.00 43.02 41.84 1pqe s PHE 55 CO 0.00 -0.85 -0.14 -1.12 -1.34 0.00 0.00 175.22 171.78 1pqe s SER 56 N -2.93 1.66 0.00 1.98 0.01 -1.26 -0.13 113.70 113.03 1pqe s SER 56 Ca 0.14 -0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.14 1pqe s SER 56 Cb 0.01 -0.31 0.00 0.00 0.21 0.00 0.00 66.02 65.93 1pqe s SER 56 CO -0.00 0.14 0.00 1.07 0.41 0.00 0.00 173.24 174.86 1pqe n THR 57 N 2.96 0.00 -4.07 1.44 5.66 -0.24 -5.00 114.28 115.02 1pqe n THR 57 Ca -0.16 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.77 1pqe n THR 57 Cb 0.54 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.23 1pqe n THR 57 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1pqe s TYR 58 N -0.19 0.51 -0.02 1.09 1.13 -1.26 -1.53 117.35 117.08 1pqe s TYR 58 Ca 0.00 -1.04 -0.18 0.00 -1.41 0.00 0.00 57.07 54.45 1pqe s TYR 58 Cb 0.00 -0.36 -0.05 0.00 -1.10 0.00 0.00 41.96 40.44 1pqe s TYR 58 CO 0.00 -0.41 0.50 0.00 -2.51 0.00 0.00 175.55 173.14 1pqe s ALA 59 N -3.92 3.57 0.17 9.51 0.00 -0.21 -2.12 121.76 128.75 1pqe s ALA 59 Ca 0.08 -0.10 0.08 0.00 0.00 0.00 0.00 51.96 52.02 1pqe s ALA 59 Cb 0.08 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 1pqe s ALA 59 CO -0.09 0.27 -0.18 0.96 0.00 0.00 0.00 175.76 176.71 1pqe s ILE 60 N -0.44 1.81 0.13 0.00 -4.36 -0.47 0.41 121.20 118.28 1pqe s ILE 60 Ca 0.27 -1.93 -0.30 0.00 -0.26 0.00 0.00 60.65 58.43 1pqe s ILE 60 Cb -0.17 -1.85 -0.06 0.00 1.25 0.00 0.00 42.46 41.63 1pqe s ILE 60 CO 0.15 -0.33 1.01 0.00 0.24 0.00 0.00 174.94 176.00 1pqe s ALA 61 N -2.09 3.29 0.28 2.27 0.00 -1.26 -0.89 121.76 123.35 1pqe s ALA 61 Ca 0.16 0.65 0.06 0.00 0.00 0.00 0.00 51.96 52.83 1pqe s ALA 61 Cb -0.05 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 1pqe s ALA 61 CO 0.07 -0.09 0.36 0.00 0.00 0.00 0.00 175.76 176.10 1pqe s ALA 62 N -0.06 3.95 0.06 0.00 0.00 0.26 -4.64 121.76 121.34 1pqe s ALA 62 Ca 0.48 -1.37 -0.37 0.00 0.00 0.00 0.00 51.96 50.70 1pqe s ALA 62 Cb -0.25 -1.59 -0.18 0.00 0.00 0.00 0.00 23.12 21.09 1pqe s ALA 62 CO 0.31 0.14 1.12 -1.91 0.00 0.00 0.00 175.76 175.42 1pqe n GLU 63 N -1.43 0.46 -1.68 0.00 2.13 -1.26 -1.78 120.64 117.07 1pqe n GLU 63 Ca -0.06 0.17 -0.45 0.00 0.66 0.00 0.00 57.16 57.48 1pqe n GLU 63 Cb 0.58 -1.67 -0.04 0.00 0.27 0.00 0.00 31.44 30.58 1pqe n GLU 63 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1pqe n ARG 64 N 1.78 2.41 -0.21 5.31 1.74 -1.26 -1.86 116.66 124.57 1pqe n ARG 64 Ca 0.19 0.87 0.00 0.00 -0.77 0.00 0.00 57.85 58.14 1pqe n ARG 64 Cb 0.14 -2.69 0.00 0.00 -1.02 0.00 0.00 32.46 28.89 1pqe n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pqe n GLY 65 N 3.82 1.11 0.22 -0.13 0.00 -1.26 -4.91 105.19 104.04 1pqe n GLY 65 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 1pqe n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pqe h SER 66 N 0.00 0.00 -2.31 1.61 4.64 -1.73 -3.47 113.55 112.29 1pqe h SER 66 Ca 0.00 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.92 1pqe h SER 66 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 1pqe h SER 66 CO 0.00 0.17 -0.47 0.54 -0.87 0.00 0.00 176.83 176.20 1pqe n ARG 67 N -3.23 -1.53 -2.88 4.77 1.74 -1.26 -4.96 116.66 109.31 1pqe n ARG 67 Ca 0.01 1.03 -0.40 0.00 -0.77 0.00 0.00 57.85 57.73 1pqe n ARG 67 Cb 0.48 -5.57 -0.06 0.00 -1.02 0.00 0.00 32.46 26.30 1pqe n ARG 67 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1pqe s ILE 68 N -2.92 4.38 -0.31 0.55 1.01 -1.26 -4.88 121.20 117.76 1pqe s ILE 68 Ca 0.00 1.85 -0.01 0.00 0.00 0.00 0.00 60.65 62.49 1pqe s ILE 68 Cb 0.00 -4.22 0.10 0.00 0.01 0.00 0.00 42.46 38.35 1pqe s ILE 68 CO 0.00 0.45 0.10 -0.63 0.00 0.00 0.00 174.94 174.86 1pqe s ILE 69 N -0.77 0.80 -0.23 2.92 -1.09 -1.25 -1.40 121.20 120.18 1pqe s ILE 69 Ca 0.39 -1.34 -0.04 0.00 -2.23 0.00 0.00 60.65 57.44 1pqe s ILE 69 Cb -0.23 -1.61 -0.00 0.00 -1.58 0.00 0.00 42.46 39.04 1pqe s ILE 69 CO 0.28 -0.67 -0.03 -0.55 -1.23 0.00 0.00 174.94 172.74 1pqe s SER 70 N 1.66 4.40 -0.30 3.58 0.15 0.10 -0.37 113.70 122.91 1pqe s SER 70 Ca 0.09 -0.51 -0.13 0.00 0.70 0.00 0.00 55.95 56.10 1pqe s SER 70 Cb -0.17 -1.74 -0.03 0.00 -1.71 0.00 0.00 66.02 62.36 1pqe s SER 70 CO -0.26 -0.06 0.29 -0.69 1.20 0.00 0.00 173.24 173.72 1pqe s VAL 71 N 1.46 5.24 0.32 4.45 1.01 -0.53 -1.36 120.40 130.98 1pqe s VAL 71 Ca 0.04 0.20 0.10 0.00 0.00 0.00 0.00 61.98 62.32 1pqe s VAL 71 Cb -0.15 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.50 1pqe s VAL 71 CO -0.03 0.11 -0.13 0.20 0.00 0.00 0.00 175.10 175.25 1pqe s ASN 72 N 1.72 3.60 0.88 3.32 0.01 -0.61 -1.96 114.94 121.90 1pqe s ASN 72 Ca 0.10 -1.14 0.00 0.00 -0.71 0.00 0.00 52.86 51.11 1pqe s ASN 72 Cb -0.16 -0.32 0.00 0.00 0.41 0.00 0.00 41.25 41.18 1pqe s ASN 72 CO 0.11 -0.14 0.00 0.61 -1.51 0.00 0.00 177.10 176.17 1pqe n GLY 73 N -0.72 1.91 0.30 0.66 0.00 -0.74 -2.46 105.19 104.14 1pqe n GLY 73 Ca -0.05 -0.53 0.12 0.00 0.00 0.00 0.00 46.02 45.56 1pqe n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pqe h ALA 74 N -0.88 2.07 0.00 4.61 0.00 -1.86 -1.97 119.26 121.23 1pqe h ALA 74 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1pqe h ALA 74 Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1pqe h ALA 74 CO 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 179.25 179.04 1pqe h ALA 75 N 1.92 1.18 0.00 0.00 0.00 -1.84 -1.84 119.26 118.69 1pqe h ALA 75 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1pqe h ALA 75 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1pqe h ALA 75 CO -0.00 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1pqe h ALA 76 N 1.98 1.00 0.00 0.00 0.00 -1.43 0.21 119.26 121.01 1pqe h ALA 76 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pqe h ALA 76 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1pqe h ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1pqe n HIS 77 N -2.62 0.72 0.63 0.00 8.25 -0.69 -3.91 115.22 117.60 1pqe n HIS 77 Ca -0.00 0.26 0.06 0.00 -0.26 0.00 0.00 57.72 57.78 1pqe n HIS 77 Cb 0.15 -0.92 -0.06 0.00 1.12 0.00 0.00 29.99 30.28 1pqe n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pqe s ALA 79 N -2.15 -0.80 0.19 0.00 0.00 -1.21 -4.80 121.76 112.99 1pqe s ALA 79 Ca 0.06 -0.00 0.10 0.00 0.00 0.00 0.00 51.96 52.12 1pqe s ALA 79 Cb 0.10 0.48 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 1pqe s ALA 79 CO 0.51 -0.52 -0.20 -1.12 0.00 0.00 0.00 175.76 174.43 1pqe s SER 80 N -2.40 3.02 0.16 0.00 0.01 -1.26 -4.78 113.70 108.45 1pqe s SER 80 Ca -0.01 -0.89 -0.34 0.00 1.31 0.00 0.00 55.95 56.02 1pqe s SER 80 Cb 0.01 -0.20 -0.14 0.00 0.21 0.00 0.00 66.02 65.89 1pqe s SER 80 CO -0.07 0.02 1.51 0.52 0.41 0.00 0.00 173.24 175.63 1pqe n VAL 81 N 0.16 0.11 0.00 3.43 0.31 -1.26 -1.31 118.33 119.77 1pqe n VAL 81 Ca -0.12 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1pqe n VAL 81 Cb 0.57 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 1pqe n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pqe n GLY 82 N 3.11 3.30 3.77 2.92 0.00 -0.02 -4.99 105.19 113.28 1pqe n GLY 82 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1pqe n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pqe s ASP 83 N -1.09 6.09 -0.19 1.61 1.01 -0.43 -4.66 116.67 119.02 1pqe s ASP 83 Ca 0.00 2.82 -0.18 0.00 0.71 0.00 0.00 52.55 55.90 1pqe s ASP 83 Cb 0.00 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 1pqe s ASP 83 CO 0.00 -1.02 0.50 -0.63 0.21 0.00 0.00 175.17 174.23 1pqe s ILE 84 N -1.22 5.13 0.14 0.77 -1.09 -1.26 -0.77 121.20 122.89 1pqe s ILE 84 Ca 0.59 0.92 0.04 0.00 -2.23 0.00 0.00 60.65 59.96 1pqe s ILE 84 Cb -0.42 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 36.60 1pqe s ILE 84 CO 0.54 0.20 -0.10 0.68 -1.23 0.00 0.00 174.94 175.03 1pqe s VAL 85 N 1.50 1.09 -0.14 2.92 -7.23 0.11 -0.33 120.40 118.32 1pqe s VAL 85 Ca 0.23 -2.04 0.01 0.00 -1.81 0.00 0.00 61.98 58.38 1pqe s VAL 85 Cb -0.15 -1.82 -0.00 0.00 0.56 0.00 0.00 36.38 34.97 1pqe s VAL 85 CO 0.09 -0.77 -0.17 -0.63 -0.31 0.00 0.00 175.10 173.31 1pqe s ILE 86 N -3.37 2.55 -0.16 -0.62 1.01 -0.18 -1.43 121.20 118.99 1pqe s ILE 86 Ca 0.16 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.99 1pqe s ILE 86 Cb 0.03 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.46 1pqe s ILE 86 CO -0.00 0.53 -0.18 -0.63 0.00 0.00 0.00 174.94 174.65 1pqe s ILE 87 N 0.61 2.30 0.04 2.92 1.01 -0.30 -1.22 121.20 126.56 1pqe s ILE 87 Ca -0.10 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 59.72 1pqe s ILE 87 Cb -0.16 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 1pqe s ILE 87 CO 0.03 0.53 -0.14 0.00 0.00 0.00 0.00 174.94 175.36 1pqe s ALA 88 N 1.01 1.18 0.14 9.38 0.00 -0.07 -0.10 121.76 133.30 1pqe s ALA 88 Ca -0.02 -0.82 0.10 0.00 0.00 0.00 0.00 51.96 51.22 1pqe s ALA 88 Cb -0.15 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1pqe s ALA 88 CO -0.05 0.23 -0.23 -1.54 0.00 0.00 0.00 175.76 174.17 1pqe s SER 89 N -1.12 3.58 0.01 0.00 1.04 -0.54 -0.83 113.70 115.83 1pqe s SER 89 Ca 0.02 -0.69 0.07 0.00 0.48 0.00 0.00 55.95 55.82 1pqe s SER 89 Cb -0.08 -0.36 -0.02 0.00 0.10 0.00 0.00 66.02 65.66 1pqe s SER 89 CO 0.01 0.17 -0.20 -0.36 0.98 0.00 0.00 173.24 173.84 1pqe s PHE 90 N -1.19 1.79 0.22 5.02 0.40 -1.26 -0.60 117.98 122.36 1pqe s PHE 90 Ca 0.17 -0.35 0.06 0.00 -0.60 0.00 0.00 56.93 56.21 1pqe s PHE 90 Cb -0.10 -1.12 -0.05 0.00 0.51 0.00 0.00 43.02 42.26 1pqe s PHE 90 CO 0.08 0.01 -0.10 0.14 0.70 0.00 0.00 175.22 176.06 1pqe s VAL 91 N -0.59 1.55 0.14 -0.44 -7.23 -0.12 -4.85 120.40 108.87 1pqe s VAL 91 Ca 0.07 -2.15 0.08 0.00 -1.81 0.00 0.00 61.98 58.18 1pqe s VAL 91 Cb -0.08 -2.16 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 1pqe s VAL 91 CO 0.00 -0.51 -0.10 0.42 -0.31 0.00 0.00 175.10 174.61 1pqe s THR 92 N -3.09 3.28 0.05 5.32 -4.23 -1.26 -0.23 115.64 115.48 1pqe s THR 92 Ca 0.24 -1.46 -0.27 0.00 -1.18 0.00 0.00 61.69 59.01 1pqe s THR 92 Cb 0.02 -2.58 0.09 0.00 1.34 0.00 0.00 72.50 71.37 1pqe s THR 92 CO 0.07 -0.00 0.87 0.00 -0.54 0.00 0.00 174.62 175.02 1pqe s MET 93 N -2.52 0.95 0.77 3.99 0.23 -0.72 -4.98 119.30 117.02 1pqe s MET 93 Ca 0.23 -0.39 -0.14 0.00 -1.03 0.00 0.00 55.69 54.35 1pqe s MET 93 Cb -0.10 0.41 0.06 0.00 -1.53 0.00 0.00 34.83 33.67 1pqe s MET 93 CO 0.14 -0.42 1.23 -2.14 -2.03 0.00 0.00 175.02 171.80 1pqe s PRO 94 N -3.23 1.87 0.24 3.16 0.02 -1.26 -0.44 135.00 135.36 1pqe s PRO 94 Ca 0.06 1.83 -0.04 0.00 0.02 0.00 0.00 61.00 62.87 1pqe s PRO 94 Cb -0.01 -1.79 0.47 0.00 0.02 0.00 0.00 34.50 33.18 1pqe s PRO 94 CO -0.07 -2.06 1.71 0.22 -0.33 0.00 0.00 177.00 176.47 1pqe h ASP 95 N -0.53 0.17 -0.22 2.53 3.58 -1.69 -1.82 116.42 118.43 1pqe h ASP 95 Ca -0.47 0.13 0.04 0.00 0.42 0.00 0.00 57.03 57.14 1pqe h ASP 95 Cb 1.31 0.13 -0.04 0.00 1.72 0.00 0.00 39.33 42.45 1pqe h ASP 95 CO 0.48 0.04 -0.04 -0.08 -2.88 0.00 0.00 179.24 176.75 1pqe h GLU 96 N 0.36 0.01 -0.47 0.28 4.81 -1.90 -1.87 114.58 115.81 1pqe h GLU 96 Ca 0.42 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.58 1pqe h GLU 96 Cb 0.67 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 1pqe h GLU 96 CO -0.45 0.01 0.03 1.49 -0.73 0.00 0.00 179.01 179.36 1pqe h GLU 97 N 0.01 0.76 -0.38 1.92 4.81 -1.79 -2.99 114.58 116.92 1pqe h GLU 97 Ca 0.11 -0.19 0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1pqe h GLU 97 Cb 0.16 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1pqe h GLU 97 CO -0.22 0.75 0.25 0.00 -0.73 0.00 0.00 179.01 179.07 1pqe h ALA 98 N 1.31 1.91 0.00 2.92 0.00 -0.55 -2.98 119.26 121.87 1pqe h ALA 98 Ca 0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1pqe h ALA 98 Cb 0.40 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1pqe h ALA 98 CO 0.01 0.03 -0.13 0.00 0.00 0.00 0.00 179.25 179.16 1pqe h ARG 99 N 0.35 0.00 0.00 0.00 2.47 -1.27 -2.62 114.38 113.32 1pqe h ARG 99 Ca 0.16 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.86 1pqe h ARG 99 Cb 0.19 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.46 1pqe h ARG 99 CO -0.04 0.13 -0.41 0.25 0.56 0.00 0.00 179.97 180.46 1pqe n THR 100 N -3.80 1.64 -2.48 2.04 -2.24 -1.14 -5.06 114.28 103.24 1pqe n THR 100 Ca -0.02 -2.37 -0.39 0.00 -2.27 0.00 0.00 64.05 58.99 1pqe n THR 100 Cb 0.23 -0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 68.41 1pqe n THR 100 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1pqe s TRP 101 N -2.43 3.49 -0.20 4.78 -0.11 -0.99 -5.05 118.94 118.42 1pqe s TRP 101 Ca 0.32 1.68 -0.00 0.00 1.22 0.00 0.00 56.10 59.32 1pqe s TRP 101 Cb 0.31 -3.26 0.05 0.00 -1.50 0.00 0.00 33.47 29.08 1pqe s TRP 101 CO -0.05 -0.60 -0.04 0.50 -4.62 0.00 0.00 176.95 172.14 1pqe s ARG 102 N -1.69 1.45 0.56 5.86 3.52 -1.26 -5.08 118.95 122.32 1pqe s ARG 102 Ca 0.48 -0.75 -0.19 0.00 -0.13 0.00 0.00 55.73 55.13 1pqe s ARG 102 Cb -0.30 -2.33 -0.05 0.00 -1.56 0.00 0.00 34.95 30.71 1pqe s ARG 102 CO 0.38 -0.54 1.18 -1.25 -0.81 0.00 0.00 175.30 174.26 1pqe s PRO 103 N 1.54 3.19 -0.14 5.12 0.04 -1.26 -5.00 135.00 138.49 1pqe s PRO 103 Ca -0.03 1.75 -0.28 0.00 0.04 0.00 0.00 61.00 62.48 1pqe s PRO 103 Cb -0.17 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 1pqe s PRO 103 CO -0.07 -1.01 0.93 -0.80 0.04 0.00 0.00 177.00 176.09 1pqe s ASN 104 N -1.63 7.11 -0.13 6.66 0.01 -0.34 -4.92 114.94 121.70 1pqe s ASN 104 Ca 0.74 1.36 0.03 0.00 -0.71 0.00 0.00 52.86 54.28 1pqe s ASN 104 Cb -0.28 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 38.88 1pqe s ASN 104 CO 0.31 -0.43 -0.22 -0.69 -1.51 0.00 0.00 177.10 174.56 1pqe s VAL 105 N 2.11 2.17 -0.18 1.60 1.01 -1.26 -1.18 120.40 124.68 1pqe s VAL 105 Ca 0.44 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 1pqe s VAL 105 Cb -0.17 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 1pqe s VAL 105 CO 0.15 0.55 -0.03 0.00 0.00 0.00 0.00 175.10 175.77 1pqe s ALA 106 N 0.62 2.98 0.22 5.51 0.00 -0.49 -4.96 121.76 125.64 1pqe s ALA 106 Ca -0.11 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.00 1pqe s ALA 106 Cb -0.16 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 1pqe s ALA 106 CO 0.03 0.03 0.12 0.71 0.00 0.00 0.00 175.76 176.65 1pqe s TYR 107 N 0.68 3.03 0.08 0.00 2.02 -1.26 -0.39 117.35 121.51 1pqe s TYR 107 Ca -0.02 -0.10 0.05 0.00 -0.37 0.00 0.00 57.07 56.63 1pqe s TYR 107 Cb -0.14 -1.40 -0.03 0.00 -0.40 0.00 0.00 41.96 39.98 1pqe s TYR 107 CO 0.02 0.53 -0.14 -0.06 -1.57 0.00 0.00 175.55 174.33 1pqe s PHE 108 N -1.99 1.26 0.05 2.71 0.40 -1.25 -0.06 117.98 119.10 1pqe s PHE 108 Ca 0.31 -0.47 -0.02 0.00 -0.60 0.00 0.00 56.93 56.16 1pqe s PHE 108 Cb -0.08 -0.70 -0.04 0.00 0.51 0.00 0.00 43.02 42.71 1pqe s PHE 108 CO 0.23 0.07 -0.01 -1.83 0.70 0.00 0.00 175.22 174.38 1pqe s GLU 109 N -1.87 0.60 5.74 0.44 -1.05 0.17 -4.76 118.70 117.96 1pqe s GLU 109 Ca -0.00 -1.15 0.00 0.00 -0.15 0.00 0.00 54.97 53.67 1pqe s GLU 109 Cb -0.09 0.21 0.00 0.00 -0.44 0.00 0.00 34.13 33.81 1pqe s GLU 109 CO 0.02 -0.12 0.00 0.41 0.95 0.00 0.00 175.26 176.53 1pqe n GLY 110 N 0.22 3.39 3.08 -3.83 0.00 -1.26 -0.49 105.19 106.29 1pqe n GLY 110 Ca -0.15 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 1pqe n GLY 110 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pqe n ASP 111 N 4.37 5.57 -3.25 1.61 2.03 -1.26 -4.59 116.55 121.04 1pqe n ASP 111 Ca 0.00 -3.17 -0.22 0.00 0.52 0.00 0.00 54.79 51.92 1pqe n ASP 111 Cb 0.00 -1.42 0.00 0.00 -0.72 0.00 0.00 41.12 38.98 1pqe n ASP 111 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1pqe n ASN 112 N 3.27 -4.03 -4.71 1.67 3.02 -1.20 -4.96 115.26 108.32 1pqe n ASN 112 Ca 0.33 -0.33 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 1pqe n ASN 112 Cb 0.37 -3.33 -0.03 0.00 -0.61 0.00 0.00 39.78 36.18 1pqe n ASN 112 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1pqe s GLU 113 N -5.89 4.44 0.08 3.52 8.01 0.35 -4.86 118.70 124.35 1pqe s GLU 113 Ca 0.36 1.68 -0.31 0.00 0.01 0.00 0.00 54.97 56.71 1pqe s GLU 113 Cb -0.18 -3.41 -0.07 0.00 -4.31 0.00 0.00 34.13 26.16 1pqe s GLU 113 CO 0.44 -0.25 1.28 1.41 0.01 0.00 0.00 175.26 178.14 1pqe s MET 114 N 1.26 4.39 0.07 1.61 1.75 -1.26 0.41 119.30 127.53 1pqe s MET 114 Ca 0.57 1.90 -0.16 0.00 -1.25 0.00 0.00 55.69 56.75 1pqe s MET 114 Cb -0.27 -3.30 -0.06 0.00 2.84 0.00 0.00 34.83 34.03 1pqe s MET 114 CO 0.28 -0.33 0.50 0.21 -0.65 0.00 0.00 175.02 175.03 1pqe s LYS 115 N 1.07 4.02 -0.08 4.11 2.20 0.91 -4.82 119.74 127.15 1pqe s LYS 115 Ca 0.61 0.53 -0.19 0.00 -0.36 0.00 0.00 55.97 56.56 1pqe s LYS 115 Cb -0.33 -3.13 -0.04 0.00 -1.51 0.00 0.00 37.83 32.82 1pqe s LYS 115 CO 0.30 0.61 0.53 0.50 -0.36 0.00 0.00 175.35 176.92 1pqe s ARG 116 N -1.39 4.32 0.00 4.03 3.52 -1.26 -4.44 118.95 123.73 1pqe s ARG 116 Ca 0.30 0.56 0.00 0.00 -0.13 0.00 0.00 55.73 56.46 1pqe s ARG 116 Cb -0.17 -3.40 0.00 0.00 -1.56 0.00 0.00 34.95 29.82 1pqe s ARG 116 CO 0.17 0.23 0.00 2.41 -0.81 0.00 0.00 175.30 177.30