#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pqf s ILE 2 N 0.00 4.43 0.09 1.12 -1.09 -1.26 -1.15 121.20 123.35 1pqf s ILE 2 Ca 0.00 -0.15 -0.03 0.00 -2.23 0.00 0.00 60.65 58.24 1pqf s ILE 2 Cb 0.00 -3.01 -0.05 0.00 -1.58 0.00 0.00 42.46 37.82 1pqf s ILE 2 CO 0.00 0.43 0.29 -0.13 -1.23 0.00 0.00 174.94 174.30 1pqf s ARG 3 N 0.77 3.53 -0.30 2.79 1.81 -0.15 -4.91 118.95 122.50 1pqf s ARG 3 Ca 0.02 -0.25 -0.10 0.00 -1.72 0.00 0.00 55.73 53.69 1pqf s ARG 3 Cb -0.14 -2.95 -0.02 0.00 -0.45 0.00 0.00 34.95 31.39 1pqf s ARG 3 CO 0.02 0.55 0.15 0.99 -0.68 0.00 0.00 175.30 176.32 1pqf s THR 4 N -1.56 4.67 0.09 0.02 2.01 -1.26 -2.07 115.64 117.53 1pqf s THR 4 Ca 0.37 -0.30 0.09 0.00 0.31 0.00 0.00 61.69 62.17 1pqf s THR 4 Cb -0.13 -3.33 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 1pqf s THR 4 CO 0.25 0.13 -0.25 -0.04 -0.69 0.00 0.00 174.62 174.03 1pqf s MET 5 N 1.64 1.46 -0.08 4.92 1.00 0.19 -4.97 119.30 123.45 1pqf s MET 5 Ca 0.05 -1.18 -0.31 0.00 0.00 0.00 0.00 55.69 54.26 1pqf s MET 5 Cb -0.17 -1.76 -0.09 0.00 0.00 0.00 0.00 34.83 32.82 1pqf s MET 5 CO 0.07 0.43 2.03 -0.11 0.00 0.00 0.00 175.02 177.44 1pqf n LEU 6 N 1.35 3.67 0.04 -0.03 7.94 -1.26 -1.07 117.00 127.64 1pqf n LEU 6 Ca -0.18 0.71 -0.19 0.00 -1.11 0.00 0.00 56.01 55.24 1pqf n LEU 6 Cb 0.53 -1.49 -0.13 0.00 0.53 0.00 0.00 43.42 42.86 1pqf n LEU 6 CO 0.23 -0.14 0.10 -0.61 -1.11 0.00 0.00 177.39 175.87 1pqf h GLN 7 N 11.58 0.37 -1.17 1.96 -0.00 -1.19 -3.38 115.11 123.28 1pqf h GLN 7 Ca -0.46 -0.52 0.32 0.00 -0.00 0.00 0.00 58.65 57.99 1pqf h GLN 7 Cb 1.25 0.18 -0.19 0.00 0.00 0.00 0.00 27.48 28.72 1pqf h GLN 7 CO 0.95 1.21 0.94 0.20 0.00 0.00 0.00 178.83 182.13 1pqf s GLY 8 N -4.31 -0.27 0.06 2.39 0.00 -1.17 -1.13 107.32 102.88 1pqf s GLY 8 Ca -0.13 1.64 -0.24 0.00 0.00 0.00 0.00 44.72 46.00 1pqf s GLY 8 CO 0.84 0.52 0.56 -1.59 0.00 0.00 0.00 173.10 173.43 1pqf s LYS 9 N -2.15 1.09 -0.32 2.90 -2.85 -0.06 -1.72 119.74 116.63 1pqf s LYS 9 Ca 0.12 -0.22 -0.15 0.00 -1.00 0.00 0.00 55.97 54.72 1pqf s LYS 9 Cb 0.01 0.50 -0.02 0.00 -2.06 0.00 0.00 37.83 36.25 1pqf s LYS 9 CO -0.03 -0.40 0.34 -0.51 0.10 0.00 0.00 175.35 174.84 1pqf s LEU 10 N -2.03 4.28 1.22 2.77 1.43 0.15 -1.64 118.68 124.87 1pqf s LEU 10 Ca -0.05 -0.07 -0.17 0.00 -1.03 0.00 0.00 54.13 52.81 1pqf s LEU 10 Cb -0.01 -2.33 0.30 0.00 0.03 0.00 0.00 46.19 44.18 1pqf s LEU 10 CO -0.02 -0.26 1.03 -1.00 0.23 0.00 0.00 176.35 176.32 1pqf s HIS 11 N 1.99 0.74 -0.19 0.29 3.76 -0.27 -2.24 115.29 119.37 1pqf s HIS 11 Ca 0.12 0.82 -0.05 0.00 -0.15 0.00 0.00 55.06 55.80 1pqf s HIS 11 Cb -0.16 -3.14 -0.05 0.00 1.11 0.00 0.00 32.58 30.34 1pqf s HIS 11 CO 0.11 -4.05 0.49 0.54 -0.85 0.00 0.00 174.74 170.98 1pqf n ARG 12 N -4.98 0.00 -4.34 1.40 1.74 -1.25 -4.77 116.66 104.45 1pqf n ARG 12 Ca 0.08 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.92 1pqf n ARG 12 Cb 0.58 -0.26 -0.09 0.00 -1.02 0.00 0.00 32.46 31.67 1pqf n ARG 12 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1pqf s VAL 13 N 1.28 3.09 -0.10 1.55 -7.23 -0.49 -4.55 120.40 113.94 1pqf s VAL 13 Ca 0.26 -1.98 -0.13 0.00 -1.81 0.00 0.00 61.98 58.32 1pqf s VAL 13 Cb -0.22 -2.61 -0.05 0.00 0.56 0.00 0.00 36.38 34.07 1pqf s VAL 13 CO 0.10 -0.30 0.30 -1.59 -0.31 0.00 0.00 175.10 173.29 1pqf s LYS 14 N -3.37 3.97 -0.22 4.82 0.00 -1.26 -0.91 119.74 122.77 1pqf s LYS 14 Ca 0.29 0.15 -0.29 0.00 0.00 0.00 0.00 55.97 56.11 1pqf s LYS 14 Cb -0.07 -3.31 -0.03 0.00 0.00 0.00 0.00 37.83 34.43 1pqf s LYS 14 CO 0.17 0.50 1.61 0.08 0.00 0.00 0.00 175.35 177.71 1pqf s VAL 15 N -0.34 3.70 -0.10 1.79 1.01 -0.20 -4.42 120.40 121.85 1pqf s VAL 15 Ca 0.18 0.79 0.16 0.00 0.00 0.00 0.00 61.98 63.11 1pqf s VAL 15 Cb -0.14 -3.72 -0.19 0.00 0.00 0.00 0.00 36.38 32.33 1pqf s VAL 15 CO 0.07 -0.30 0.67 0.35 0.00 0.00 0.00 175.10 175.89 1pqf n THR 16 N 6.40 1.32 -4.01 3.92 -2.24 0.25 -0.58 114.28 119.35 1pqf n THR 16 Ca 0.19 -0.74 -0.10 0.00 -2.27 0.00 0.00 64.05 61.12 1pqf n THR 16 Cb 0.45 -0.80 -0.11 0.00 -2.10 0.00 0.00 70.33 67.78 1pqf n THR 16 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1pqf s HIS 17 N -2.78 0.41 -0.40 4.78 3.76 -0.92 -4.87 115.29 115.26 1pqf s HIS 17 Ca -0.04 -0.53 0.03 0.00 -0.15 0.00 0.00 55.06 54.37 1pqf s HIS 17 Cb 0.08 -0.27 0.16 0.00 1.11 0.00 0.00 32.58 33.67 1pqf s HIS 17 CO 0.82 -0.15 0.31 0.00 -0.85 0.00 0.00 174.74 174.87 1pqf s ALA 18 N -1.47 1.36 -0.50 -1.40 0.00 -1.26 -1.13 121.76 117.36 1pqf s ALA 18 Ca -0.13 -2.34 -0.18 0.00 0.00 0.00 0.00 51.96 49.30 1pqf s ALA 18 Cb -0.10 -1.62 0.06 0.00 0.00 0.00 0.00 23.12 21.47 1pqf s ALA 18 CO -0.01 -2.01 0.59 0.34 0.00 0.00 0.00 175.76 174.67 1pqf s ASP 19 N 0.28 6.21 0.51 0.00 2.15 -1.24 -4.93 116.67 119.66 1pqf s ASP 19 Ca 0.28 -1.01 0.16 0.00 0.43 0.00 0.00 52.55 52.42 1pqf s ASP 19 Cb -0.04 -2.27 1.24 0.00 -0.30 0.00 0.00 42.92 41.55 1pqf s ASP 19 CO -0.14 -0.85 2.12 -0.07 -0.17 0.00 0.00 175.17 176.06 1pqf h LEU 20 N 9.54 0.00 -1.30 -1.34 3.38 -1.88 -0.09 115.31 123.61 1pqf h LEU 20 Ca -0.28 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 1pqf h LEU 20 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1pqf h LEU 20 CO 0.95 0.04 -0.34 1.12 0.09 0.00 0.00 178.44 180.30 1pqf h HIS 21 N 0.00 0.02 -4.27 1.13 -0.00 -1.92 -3.35 115.15 106.76 1pqf h HIS 21 Ca -0.00 -0.00 -0.47 0.00 -0.00 0.00 0.00 60.37 59.90 1pqf h HIS 21 Cb 0.07 -0.00 0.09 0.00 -0.00 0.00 0.00 27.41 27.56 1pqf h HIS 21 CO 0.00 0.35 0.34 -0.47 -0.00 0.00 0.00 177.93 178.15 1pqf s TYR 22 N -4.27 2.96 0.74 6.12 5.04 -1.12 -4.91 117.35 121.91 1pqf s TYR 22 Ca -0.03 0.64 -0.14 0.00 -2.44 0.00 0.00 57.07 55.10 1pqf s TYR 22 Cb 0.15 -3.35 0.05 0.00 0.35 0.00 0.00 41.96 39.15 1pqf s TYR 22 CO 0.72 -1.59 1.16 -1.83 -1.34 0.00 0.00 175.55 172.67 1pqf s GLU 23 N -5.43 2.16 -1.02 4.97 -1.05 -1.26 -2.33 118.70 114.74 1pqf s GLU 23 Ca 0.61 1.58 -0.22 0.00 -0.15 0.00 0.00 54.97 56.79 1pqf s GLU 23 Cb -0.11 -1.86 0.06 0.00 -0.44 0.00 0.00 34.13 31.79 1pqf s GLU 23 CO 0.47 -1.78 1.43 -1.12 0.95 0.00 0.00 175.26 175.21 1pqf s SER 24 N -2.39 6.53 0.39 0.83 0.01 -1.26 -3.38 113.70 114.43 1pqf s SER 24 Ca 0.70 -1.58 -0.10 0.00 1.31 0.00 0.00 55.95 56.28 1pqf s SER 24 Cb -0.25 -2.55 0.04 0.00 0.21 0.00 0.00 66.02 63.47 1pqf s SER 24 CO 0.47 -1.44 0.69 -0.94 0.41 0.00 0.00 173.24 172.43 1pqf s SER 25 N 4.78 0.42 -0.19 2.44 1.04 -1.21 -4.73 113.70 116.24 1pqf s SER 25 Ca 0.45 -1.34 -0.01 0.00 0.48 0.00 0.00 55.95 55.53 1pqf s SER 25 Cb -0.00 0.80 0.00 0.00 0.10 0.00 0.00 66.02 66.92 1pqf s SER 25 CO -0.09 -1.59 -0.12 0.00 0.98 0.00 0.00 173.24 172.41 1pqf s ALA 27 N 1.29 3.59 -0.05 0.00 0.00 0.48 -1.44 121.76 125.63 1pqf s ALA 27 Ca 0.04 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1pqf s ALA 27 Cb -0.14 -2.45 0.02 0.00 0.00 0.00 0.00 23.12 20.56 1pqf s ALA 27 CO -0.07 0.17 -0.03 0.42 0.00 0.00 0.00 175.76 176.25 1pqf s ILE 28 N 0.12 0.48 -0.21 0.00 1.01 -0.26 -0.82 121.20 121.53 1pqf s ILE 28 Ca 0.21 -0.05 -0.36 0.00 0.00 0.00 0.00 60.65 60.45 1pqf s ILE 28 Cb -0.14 -0.55 -0.16 0.00 0.01 0.00 0.00 42.46 41.62 1pqf s ILE 28 CO 0.08 0.23 1.10 -0.67 0.00 0.00 0.00 174.94 175.68 1pqf n ASP 29 N 4.37 0.50 0.05 3.58 -0.08 -0.66 -0.27 116.55 124.04 1pqf n ASP 29 Ca -0.20 0.96 0.13 0.00 -1.51 0.00 0.00 54.79 54.17 1pqf n ASP 29 Cb 0.51 -0.74 0.60 0.00 2.34 0.00 0.00 41.12 43.83 1pqf n ASP 29 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1pqf h GLN 30 N 3.29 0.16 -0.90 -0.67 5.75 -1.46 0.76 115.11 122.04 1pqf h GLN 30 Ca -0.39 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.14 1pqf h GLN 30 Cb 1.15 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 29.61 1pqf h GLN 30 CO 0.67 0.10 0.59 -0.44 -2.65 0.00 0.00 178.83 177.10 1pqf h ASP 31 N 0.16 0.96 -0.22 -0.69 3.32 -1.87 0.38 116.42 118.46 1pqf h ASP 31 Ca 0.18 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.09 1pqf h ASP 31 Cb 0.50 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 1pqf h ASP 31 CO -0.03 0.65 -0.36 -0.26 -1.72 0.00 0.00 179.24 177.53 1pqf h PHE 32 N 1.11 0.79 -0.70 4.55 0.04 -1.20 -2.06 116.94 119.47 1pqf h PHE 32 Ca 0.36 -0.27 0.04 0.00 2.80 0.00 0.00 57.97 60.91 1pqf h PHE 32 Cb 0.05 -0.15 -0.05 0.00 2.20 0.00 0.00 35.95 38.00 1pqf h PHE 32 CO -0.00 1.02 0.42 -0.07 -0.60 0.00 0.00 178.31 179.08 1pqf h LEU 33 N 0.34 0.66 -0.55 1.54 3.38 -1.14 -1.48 115.31 118.06 1pqf h LEU 33 Ca 0.02 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1pqf h LEU 33 Cb 0.95 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 1pqf h LEU 33 CO 0.08 0.44 0.33 0.44 0.09 0.00 0.00 178.44 179.82 1pqf h ASP 34 N 0.79 0.66 -0.04 -0.43 3.32 -0.81 0.39 116.42 120.30 1pqf h ASP 34 Ca 0.30 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.18 1pqf h ASP 34 Cb 0.10 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1pqf h ASP 34 CO -0.14 0.52 -0.29 0.00 -1.72 0.00 0.00 179.24 177.61 1pqf h ALA 35 N 1.16 1.04 -0.01 3.45 0.00 -1.00 -3.13 119.26 120.77 1pqf h ALA 35 Ca 0.20 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1pqf h ALA 35 Cb -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1pqf h ALA 35 CO -0.04 0.58 -0.39 0.00 0.00 0.00 0.00 179.25 179.40 1pqf n ALA 36 N -2.49 3.38 -1.16 0.00 0.00 -0.59 -4.30 120.51 115.35 1pqf n ALA 36 Ca -0.01 -0.49 -0.06 0.00 0.00 0.00 0.00 53.44 52.89 1pqf n ALA 36 Cb 0.43 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.86 1pqf n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pqf n GLY 37 N 1.39 0.76 3.75 0.00 0.00 0.06 -4.22 105.19 106.93 1pqf n GLY 37 Ca 0.10 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 1pqf n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pqf s ILE 38 N -2.01 4.66 0.10 -0.61 1.01 -0.78 -5.00 121.20 118.57 1pqf s ILE 38 Ca 0.00 1.67 0.02 0.00 0.00 0.00 0.00 60.65 62.33 1pqf s ILE 38 Cb 0.00 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 1pqf s ILE 38 CO 0.00 0.39 0.21 -0.76 0.00 0.00 0.00 174.94 174.78 1pqf s LEU 39 N -0.24 4.23 0.29 2.97 1.43 -1.26 -4.58 118.68 121.52 1pqf s LEU 39 Ca 0.39 0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 53.35 1pqf s LEU 39 Cb -0.21 -2.83 -0.12 0.00 0.03 0.00 0.00 46.19 43.06 1pqf s LEU 39 CO 0.24 0.12 1.52 1.21 0.23 0.00 0.00 176.35 179.67 1pqf n GLU 40 N -0.04 2.51 -0.94 1.70 2.13 -1.26 -1.93 120.64 122.81 1pqf n GLU 40 Ca -0.06 0.89 0.00 0.00 0.66 0.00 0.00 57.16 58.65 1pqf n GLU 40 Cb 0.52 -2.63 0.00 0.00 0.27 0.00 0.00 31.44 29.61 1pqf n GLU 40 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1pqf n ASN 41 N 1.91 -1.76 -4.76 4.31 3.02 0.75 -4.98 115.26 113.75 1pqf n ASN 41 Ca 0.08 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.24 1pqf n ASN 41 Cb 0.36 -0.88 -0.06 0.00 -0.61 0.00 0.00 39.78 38.59 1pqf n ASN 41 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1pqf s GLU 42 N -0.34 4.75 0.29 3.52 2.12 -0.81 -4.78 118.70 123.44 1pqf s GLU 42 Ca 0.00 1.37 -0.30 0.00 0.36 0.00 0.00 54.97 56.40 1pqf s GLU 42 Cb 0.00 -3.25 -0.11 0.00 0.26 0.00 0.00 34.13 31.03 1pqf s GLU 42 CO 0.00 0.53 1.48 0.00 -0.54 0.00 0.00 175.26 176.73 1pqf s ALA 43 N -1.19 3.64 0.05 6.30 0.00 -1.26 -1.55 121.76 127.75 1pqf s ALA 43 Ca 0.40 1.44 0.03 0.00 0.00 0.00 0.00 51.96 53.83 1pqf s ALA 43 Cb -0.25 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.26 1pqf s ALA 43 CO 0.30 -0.86 -0.10 0.96 0.00 0.00 0.00 175.76 176.06 1pqf s ILE 44 N -0.30 0.74 -0.16 0.00 -4.36 -0.43 -4.60 121.20 112.09 1pqf s ILE 44 Ca 0.58 -1.12 -0.07 0.00 -0.26 0.00 0.00 60.65 59.78 1pqf s ILE 44 Cb -0.44 -0.76 -0.04 0.00 1.25 0.00 0.00 42.46 42.46 1pqf s ILE 44 CO 0.49 -0.30 0.08 -1.81 0.24 0.00 0.00 174.94 173.64 1pqf s ASP 45 N -1.57 5.85 -0.10 4.36 1.01 0.27 -1.40 116.67 125.08 1pqf s ASP 45 Ca -0.07 0.20 0.04 0.00 0.71 0.00 0.00 52.55 53.43 1pqf s ASP 45 Cb -0.10 -1.94 -0.00 0.00 1.01 0.00 0.00 42.92 41.89 1pqf s ASP 45 CO 0.01 0.26 -0.23 -0.63 0.21 0.00 0.00 175.17 174.78 1pqf s ILE 46 N -0.11 2.15 -0.29 0.77 1.01 0.73 -1.45 121.20 124.00 1pqf s ILE 46 Ca 0.08 -0.99 -0.03 0.00 0.00 0.00 0.00 60.65 59.71 1pqf s ILE 46 Cb -0.12 -1.82 0.04 0.00 0.01 0.00 0.00 42.46 40.56 1pqf s ILE 46 CO 0.01 0.56 0.00 0.86 0.00 0.00 0.00 174.94 176.37 1pqf s TRP 47 N 0.32 3.19 -0.63 3.97 -0.00 -0.39 -1.44 118.94 123.96 1pqf s TRP 47 Ca -0.18 -1.61 -0.22 0.00 -0.00 0.00 0.00 56.10 54.10 1pqf s TRP 47 Cb -0.18 -2.13 0.08 0.00 -0.00 0.00 0.00 33.47 31.24 1pqf s TRP 47 CO 0.08 -0.74 0.88 1.21 -0.00 0.00 0.00 176.95 178.38 1pqf s ASN 48 N 1.32 6.19 0.40 5.86 3.84 0.23 -0.64 114.94 132.13 1pqf s ASN 48 Ca -0.02 -1.05 0.10 0.00 0.21 0.00 0.00 52.86 52.10 1pqf s ASN 48 Cb -0.18 -2.39 0.82 0.00 -0.55 0.00 0.00 41.25 38.95 1pqf s ASN 48 CO -0.01 -1.32 1.93 0.58 -2.79 0.00 0.00 177.10 175.49 1pqf h VAL 49 N 5.96 1.17 -0.37 -5.21 2.07 -1.23 0.19 116.25 118.82 1pqf h VAL 49 Ca -0.29 -0.73 -0.10 0.00 0.82 0.00 0.00 66.70 66.40 1pqf h VAL 49 Cb 1.08 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 1pqf h VAL 49 CO 1.15 0.23 -0.17 0.74 0.02 0.00 0.00 177.57 179.53 1pqf h THR 50 N 0.21 1.28 -0.05 2.57 2.02 -1.90 -3.34 112.91 113.70 1pqf h THR 50 Ca 0.04 -1.29 0.00 0.00 0.77 0.00 0.00 66.41 65.93 1pqf h THR 50 Cb 0.34 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1pqf h THR 50 CO 0.02 0.43 0.00 -0.46 0.37 0.00 0.00 175.52 175.88 1pqf n ASN 51 N -4.29 1.75 0.00 4.18 0.23 -1.19 -5.01 115.26 110.93 1pqf n ASN 51 Ca -0.02 -1.54 0.00 0.00 -0.53 0.00 0.00 54.58 52.49 1pqf n ASN 51 Cb 0.41 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.07 1pqf n ASN 51 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pqf n GLY 52 N 0.01 2.90 3.75 4.83 0.00 0.66 -5.00 105.19 112.35 1pqf n GLY 52 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1pqf n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pqf s LYS 53 N -0.07 4.30 -0.04 1.61 1.02 -1.21 -4.74 119.74 120.62 1pqf s LYS 53 Ca 0.00 2.26 0.06 0.00 0.02 0.00 0.00 55.97 58.31 1pqf s LYS 53 Cb 0.00 -3.10 -0.01 0.00 -0.52 0.00 0.00 37.83 34.20 1pqf s LYS 53 CO 0.00 -0.33 -0.23 1.03 -0.92 0.00 0.00 175.35 174.90 1pqf s ARG 54 N -0.88 2.11 0.24 1.68 0.52 -1.26 -0.60 118.95 120.75 1pqf s ARG 54 Ca 0.55 -0.82 -0.15 0.00 -0.52 0.00 0.00 55.73 54.79 1pqf s ARG 54 Cb -0.41 -1.90 0.01 0.00 0.52 0.00 0.00 34.95 33.17 1pqf s ARG 54 CO 0.47 0.41 0.53 -0.59 0.02 0.00 0.00 175.30 176.14 1pqf s PHE 55 N -0.31 0.17 0.06 -0.53 -0.71 -0.52 -5.02 117.98 111.13 1pqf s PHE 55 Ca 0.02 -0.55 0.09 0.00 -1.04 0.00 0.00 56.93 55.44 1pqf s PHE 55 Cb -0.11 0.32 -0.03 0.00 -1.21 0.00 0.00 43.02 41.99 1pqf s PHE 55 CO 0.01 -1.02 -0.22 -1.12 -1.34 0.00 0.00 175.22 171.53 1pqf s SER 56 N -2.97 3.54 0.00 1.98 0.01 -1.26 -0.20 113.70 114.80 1pqf s SER 56 Ca 0.18 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.90 1pqf s SER 56 Cb -0.02 -0.44 0.00 0.00 0.21 0.00 0.00 66.02 65.77 1pqf s SER 56 CO 0.06 0.24 0.00 1.07 0.41 0.00 0.00 173.24 175.02 1pqf n THR 57 N 1.44 0.00 -4.14 1.44 5.66 -0.49 -4.99 114.28 113.20 1pqf n THR 57 Ca -0.17 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.71 1pqf n THR 57 Cb 0.52 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.20 1pqf n THR 57 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1pqf s TYR 58 N -1.45 0.87 0.20 1.09 1.13 -1.26 -1.31 117.35 116.62 1pqf s TYR 58 Ca 0.00 -0.73 -0.22 0.00 -1.41 0.00 0.00 57.07 54.71 1pqf s TYR 58 Cb 0.00 -0.50 -0.08 0.00 -1.10 0.00 0.00 41.96 40.28 1pqf s TYR 58 CO 0.00 -0.09 0.75 0.00 -2.51 0.00 0.00 175.55 173.69 1pqf s ALA 59 N -2.69 3.42 0.14 9.51 0.00 -0.60 -1.72 121.76 129.82 1pqf s ALA 59 Ca 0.04 0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.29 1pqf s ALA 59 Cb -0.01 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1pqf s ALA 59 CO -0.02 0.31 -0.11 0.96 0.00 0.00 0.00 175.76 176.90 1pqf s ILE 60 N -1.40 1.18 0.22 0.00 -4.36 -0.52 -0.18 121.20 116.15 1pqf s ILE 60 Ca 0.40 -1.96 -0.30 0.00 -0.26 0.00 0.00 60.65 58.53 1pqf s ILE 60 Cb -0.19 -1.74 -0.08 0.00 1.25 0.00 0.00 42.46 41.69 1pqf s ILE 60 CO 0.23 -0.67 1.00 0.00 0.24 0.00 0.00 174.94 175.74 1pqf s ALA 61 N -3.03 3.34 0.31 2.27 0.00 -1.26 -1.10 121.76 122.29 1pqf s ALA 61 Ca 0.14 0.70 0.07 0.00 0.00 0.00 0.00 51.96 52.88 1pqf s ALA 61 Cb 0.01 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 1pqf s ALA 61 CO 0.01 0.03 0.24 0.00 0.00 0.00 0.00 175.76 176.04 1pqf s ALA 62 N -0.82 3.72 0.06 0.00 0.00 0.63 -4.63 121.76 120.71 1pqf s ALA 62 Ca 0.44 -1.60 -0.37 0.00 0.00 0.00 0.00 51.96 50.43 1pqf s ALA 62 Cb -0.27 -1.16 -0.16 0.00 0.00 0.00 0.00 23.12 21.53 1pqf s ALA 62 CO 0.34 0.09 1.41 -1.91 0.00 0.00 0.00 175.76 175.69 1pqf n GLU 63 N -1.28 1.27 -1.70 0.00 2.13 -1.26 -1.52 120.64 118.28 1pqf n GLU 63 Ca -0.04 0.46 -0.44 0.00 0.66 0.00 0.00 57.16 57.81 1pqf n GLU 63 Cb 0.59 -2.12 -0.03 0.00 0.27 0.00 0.00 31.44 30.15 1pqf n GLU 63 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1pqf n ARG 64 N 2.95 2.37 -0.34 5.31 0.63 -1.26 -1.47 116.66 124.85 1pqf n ARG 64 Ca 0.19 0.85 0.00 0.00 -0.92 0.00 0.00 57.85 57.97 1pqf n ARG 64 Cb 0.20 -2.60 0.00 0.00 0.45 0.00 0.00 32.46 30.51 1pqf n ARG 64 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1pqf n GLY 65 N 2.74 1.71 0.21 5.14 0.00 -1.26 -4.90 105.19 108.83 1pqf n GLY 65 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.25 1pqf n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1pqf h SER 66 N 0.00 0.00 -2.18 1.61 4.64 -1.61 -3.47 113.55 112.54 1pqf h SER 66 Ca 0.00 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.90 1pqf h SER 66 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.01 1pqf h SER 66 CO 0.00 0.13 -0.48 0.54 -0.87 0.00 0.00 176.83 176.16 1pqf n ARG 67 N -3.16 -1.59 -2.72 4.77 1.74 -1.26 -4.97 116.66 109.46 1pqf n ARG 67 Ca 0.02 1.11 -0.41 0.00 -0.77 0.00 0.00 57.85 57.80 1pqf n ARG 67 Cb 0.52 -5.66 -0.05 0.00 -1.02 0.00 0.00 32.46 26.25 1pqf n ARG 67 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1pqf s ILE 68 N -2.93 4.35 -0.15 0.55 1.01 -1.26 -4.87 121.20 117.89 1pqf s ILE 68 Ca 0.00 2.05 0.00 0.00 0.00 0.00 0.00 60.65 62.70 1pqf s ILE 68 Cb 0.00 -4.31 0.03 0.00 0.01 0.00 0.00 42.46 38.19 1pqf s ILE 68 CO 0.00 0.36 -0.12 -0.63 0.00 0.00 0.00 174.94 174.55 1pqf s ILE 69 N -0.33 1.48 -0.14 2.92 -1.09 -1.26 -1.66 121.20 121.12 1pqf s ILE 69 Ca 0.45 -0.64 0.00 0.00 -2.23 0.00 0.00 60.65 58.23 1pqf s ILE 69 Cb -0.24 -1.44 0.02 0.00 -1.58 0.00 0.00 42.46 39.22 1pqf s ILE 69 CO 0.31 0.38 -0.12 -0.55 -1.23 0.00 0.00 174.94 173.73 1pqf s SER 70 N 1.51 2.54 -0.42 3.58 0.15 0.00 -0.58 113.70 120.49 1pqf s SER 70 Ca 0.04 -0.44 -0.07 0.00 0.70 0.00 0.00 55.95 56.19 1pqf s SER 70 Cb -0.13 -1.07 0.10 0.00 -1.71 0.00 0.00 66.02 63.20 1pqf s SER 70 CO -0.10 -0.08 0.24 -0.69 1.20 0.00 0.00 173.24 173.81 1pqf s VAL 71 N 1.56 3.83 0.38 4.45 1.01 -0.29 -0.39 120.40 130.96 1pqf s VAL 71 Ca 0.05 -1.69 0.08 0.00 0.00 0.00 0.00 61.98 60.42 1pqf s VAL 71 Cb -0.13 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 1pqf s VAL 71 CO -0.10 -0.59 0.16 0.20 0.00 0.00 0.00 175.10 174.77 1pqf s ASN 72 N 2.08 4.50 1.11 3.32 0.02 -0.50 -3.44 114.94 122.03 1pqf s ASN 72 Ca 0.04 -0.96 0.00 0.00 -1.02 0.00 0.00 52.86 50.92 1pqf s ASN 72 Cb -0.23 -0.56 0.00 0.00 0.02 0.00 0.00 41.25 40.47 1pqf s ASN 72 CO -0.01 -0.44 0.00 0.61 0.02 0.00 0.00 177.10 177.28 1pqf n GLY 73 N -1.20 2.52 0.27 0.66 0.00 -0.06 -2.10 105.19 105.28 1pqf n GLY 73 Ca -0.02 -0.41 0.11 0.00 0.00 0.00 0.00 46.02 45.70 1pqf n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pqf h ALA 74 N -0.75 1.69 0.00 4.61 0.00 -1.83 -2.20 119.26 120.77 1pqf h ALA 74 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1pqf h ALA 74 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1pqf h ALA 74 CO 0.00 0.04 -0.17 0.00 0.00 0.00 0.00 179.25 179.12 1pqf h ALA 75 N 1.96 1.22 0.00 0.00 0.00 -1.74 -2.99 119.26 117.71 1pqf h ALA 75 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1pqf h ALA 75 Cb 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1pqf h ALA 75 CO 0.00 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.47 1pqf n ALA 76 N -2.28 1.34 -0.86 0.00 0.00 -0.83 -3.62 120.51 114.26 1pqf n ALA 76 Ca -0.01 0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.48 1pqf n ALA 76 Cb 0.30 -1.36 -0.09 0.00 0.00 0.00 0.00 19.45 18.31 1pqf n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1pqf n HIS 77 N -2.27 0.23 -1.03 0.00 8.25 -1.13 -4.56 115.22 114.70 1pqf n HIS 77 Ca 0.00 -1.40 -0.36 0.00 -0.26 0.00 0.00 57.72 55.71 1pqf n HIS 77 Cb 0.13 -1.16 -0.03 0.00 1.12 0.00 0.00 29.99 30.05 1pqf n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pqf n ALA 79 N 1.89 -2.42 -2.31 -1.41 0.00 -1.24 -5.17 120.51 109.84 1pqf n ALA 79 Ca 0.28 0.33 -0.21 0.00 0.00 0.00 0.00 53.44 53.84 1pqf n ALA 79 Cb 0.72 -1.19 -0.04 0.00 0.00 0.00 0.00 19.45 18.95 1pqf n ALA 79 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1pqf s SER 80 N -0.65 5.00 0.25 0.00 0.01 -1.26 -4.84 113.70 112.20 1pqf s SER 80 Ca 0.49 -0.74 -0.31 0.00 1.31 0.00 0.00 55.95 56.70 1pqf s SER 80 Cb -0.71 -0.64 -0.11 0.00 0.21 0.00 0.00 66.02 64.77 1pqf s SER 80 CO 0.41 -0.56 1.58 -0.69 0.41 0.00 0.00 173.24 174.39 1pqf s VAL 81 N -2.45 2.26 0.00 3.43 1.01 -1.26 -1.90 120.40 121.48 1pqf s VAL 81 Ca 0.45 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1pqf s VAL 81 Cb -0.03 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.22 1pqf s VAL 81 CO 0.27 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1pqf n GLY 82 N 2.76 3.41 3.74 4.51 0.00 0.25 -4.99 105.19 114.88 1pqf n GLY 82 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1pqf n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pqf s ASP 83 N -0.88 4.99 -0.22 1.61 1.01 -0.80 -4.63 116.67 117.75 1pqf s ASP 83 Ca 0.00 2.68 -0.14 0.00 0.71 0.00 0.00 52.55 55.80 1pqf s ASP 83 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 1pqf s ASP 83 CO 0.00 -1.75 0.32 -0.63 0.21 0.00 0.00 175.17 173.32 1pqf s ILE 84 N -1.36 5.25 0.20 0.77 -1.09 -1.26 -1.03 121.20 122.67 1pqf s ILE 84 Ca 0.76 0.53 0.09 0.00 -2.23 0.00 0.00 60.65 59.81 1pqf s ILE 84 Cb -0.39 -3.66 -0.04 0.00 -1.58 0.00 0.00 42.46 36.79 1pqf s ILE 84 CO 0.43 0.27 -0.17 0.68 -1.23 0.00 0.00 174.94 174.92 1pqf s VAL 85 N 1.30 1.92 -0.06 2.92 -7.23 -0.09 -0.75 120.40 118.42 1pqf s VAL 85 Ca 0.15 -2.11 0.06 0.00 -1.81 0.00 0.00 61.98 58.26 1pqf s VAL 85 Cb -0.14 -2.00 -0.01 0.00 0.56 0.00 0.00 36.38 34.78 1pqf s VAL 85 CO 0.07 -0.43 -0.24 -0.63 -0.31 0.00 0.00 175.10 173.56 1pqf s ILE 86 N -2.45 2.13 -0.09 -0.62 1.01 0.18 -1.40 121.20 119.96 1pqf s ILE 86 Ca 0.21 -1.03 0.02 0.00 0.00 0.00 0.00 60.65 59.84 1pqf s ILE 86 Cb -0.04 -1.78 0.01 0.00 0.01 0.00 0.00 42.46 40.67 1pqf s ILE 86 CO 0.08 0.57 -0.14 -0.63 0.00 0.00 0.00 174.94 174.82 1pqf s ILE 87 N -0.11 1.34 0.03 2.92 1.01 -0.95 -1.26 121.20 124.18 1pqf s ILE 87 Ca -0.05 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.05 1pqf s ILE 87 Cb -0.14 -1.23 -0.02 0.00 0.01 0.00 0.00 42.46 41.08 1pqf s ILE 87 CO 0.04 0.41 -0.04 0.00 0.00 0.00 0.00 174.94 175.34 1pqf s ALA 88 N 0.90 0.28 0.20 9.38 0.00 -0.53 -0.67 121.76 131.32 1pqf s ALA 88 Ca -0.09 -0.69 0.09 0.00 0.00 0.00 0.00 51.96 51.27 1pqf s ALA 88 Cb -0.15 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 1pqf s ALA 88 CO 0.00 -0.14 -0.17 -1.54 0.00 0.00 0.00 175.76 173.91 1pqf s SER 89 N -1.62 2.80 -0.01 0.00 1.04 -0.70 -0.57 113.70 114.64 1pqf s SER 89 Ca -0.12 -0.94 0.04 0.00 0.48 0.00 0.00 55.95 55.40 1pqf s SER 89 Cb -0.09 -0.17 -0.01 0.00 0.10 0.00 0.00 66.02 65.85 1pqf s SER 89 CO -0.01 -0.07 -0.14 -0.36 0.98 0.00 0.00 173.24 173.64 1pqf s PHE 90 N -2.44 1.28 0.28 5.02 0.40 -1.26 -0.64 117.98 120.63 1pqf s PHE 90 Ca 0.20 -0.24 0.10 0.00 -0.60 0.00 0.00 56.93 56.39 1pqf s PHE 90 Cb -0.04 -0.83 -0.05 0.00 0.51 0.00 0.00 43.02 42.61 1pqf s PHE 90 CO 0.08 -0.02 -0.15 0.14 0.70 0.00 0.00 175.22 175.97 1pqf s VAL 91 N -0.34 2.18 0.16 -0.44 -7.23 -0.23 -4.80 120.40 109.70 1pqf s VAL 91 Ca 0.05 -2.29 0.07 0.00 -1.81 0.00 0.00 61.98 58.01 1pqf s VAL 91 Cb -0.06 -2.36 -0.04 0.00 0.56 0.00 0.00 36.38 34.48 1pqf s VAL 91 CO -0.01 -0.37 -0.03 0.42 -0.31 0.00 0.00 175.10 174.80 1pqf s THR 92 N -2.68 3.60 0.04 5.32 -4.23 -1.26 -0.64 115.64 115.78 1pqf s THR 92 Ca 0.29 -1.42 -0.27 0.00 -1.18 0.00 0.00 61.69 59.11 1pqf s THR 92 Cb -0.01 -2.78 0.09 0.00 1.34 0.00 0.00 72.50 71.14 1pqf s THR 92 CO 0.14 -0.07 0.81 0.00 -0.54 0.00 0.00 174.62 174.96 1pqf s MET 93 N -2.79 0.94 0.73 3.99 0.23 -0.88 -4.98 119.30 116.53 1pqf s MET 93 Ca 0.26 -0.34 -0.15 0.00 -1.03 0.00 0.00 55.69 54.42 1pqf s MET 93 Cb -0.10 0.43 0.04 0.00 -1.53 0.00 0.00 34.83 33.67 1pqf s MET 93 CO 0.17 -0.41 1.24 -2.14 -2.03 0.00 0.00 175.02 171.85 1pqf s PRO 94 N -3.28 2.13 0.27 3.16 0.02 -1.26 -0.98 135.00 135.05 1pqf s PRO 94 Ca 0.04 1.86 -0.01 0.00 0.02 0.00 0.00 61.00 62.91 1pqf s PRO 94 Cb -0.01 -1.82 0.59 0.00 0.02 0.00 0.00 34.50 33.28 1pqf s PRO 94 CO -0.10 -1.87 1.68 0.22 -0.33 0.00 0.00 177.00 176.60 1pqf h ASP 95 N -0.19 0.11 -0.77 2.53 3.58 -1.50 -0.69 116.42 119.50 1pqf h ASP 95 Ca -0.48 0.16 0.08 0.00 0.42 0.00 0.00 57.03 57.20 1pqf h ASP 95 Cb 1.31 0.19 -0.06 0.00 1.72 0.00 0.00 39.33 42.48 1pqf h ASP 95 CO 0.50 -0.04 0.44 -0.33 -2.88 0.00 0.00 179.24 176.92 1pqf h GLU 96 N 0.31 0.75 0.10 0.28 3.07 -1.90 -1.75 114.58 115.43 1pqf h GLU 96 Ca 0.49 -0.05 -0.28 0.00 -0.50 0.00 0.00 59.36 59.02 1pqf h GLU 96 Cb 0.89 -0.17 0.02 0.00 -0.84 0.00 0.00 28.75 28.65 1pqf h GLU 96 CO -0.54 0.50 -1.18 0.93 -1.40 0.00 0.00 179.01 177.31 1pqf h GLU 97 N 0.78 0.49 -0.25 2.33 5.08 -1.67 -3.28 114.58 118.06 1pqf h GLU 97 Ca 0.36 -0.66 0.03 0.00 -1.00 0.00 0.00 59.36 58.10 1pqf h GLU 97 Cb 0.27 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1pqf h GLU 97 CO -0.21 1.28 0.17 0.00 -1.00 0.00 0.00 179.01 179.24 1pqf h ALA 98 N 0.47 2.00 0.00 3.43 0.00 -0.63 -1.98 119.26 122.55 1pqf h ALA 98 Ca -0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1pqf h ALA 98 Cb 1.86 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 1pqf h ALA 98 CO 0.21 -0.04 -0.03 0.00 0.00 0.00 0.00 179.25 179.39 1pqf h ARG 99 N 0.19 0.00 0.00 0.00 3.08 -1.39 -2.51 114.38 113.74 1pqf h ARG 99 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1pqf h ARG 99 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1pqf h ARG 99 CO -0.02 0.03 0.00 0.25 -1.07 0.00 0.00 179.97 179.16 1pqf n THR 100 N -3.51 0.94 -1.96 2.04 -2.24 -0.78 -5.06 114.28 103.71 1pqf n THR 100 Ca -0.02 -0.95 -0.39 0.00 -2.27 0.00 0.00 64.05 60.41 1pqf n THR 100 Cb 0.14 0.53 0.01 0.00 -2.10 0.00 0.00 70.33 68.90 1pqf n THR 100 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1pqf s TRP 101 N -0.94 2.65 -0.13 4.78 -0.11 -0.95 -5.03 118.94 119.20 1pqf s TRP 101 Ca 0.00 1.37 0.00 0.00 1.22 0.00 0.00 56.10 58.69 1pqf s TRP 101 Cb 0.00 -3.74 0.02 0.00 -1.50 0.00 0.00 33.47 28.25 1pqf s TRP 101 CO 0.00 -2.40 -0.11 1.03 -4.62 0.00 0.00 176.95 170.84 1pqf s ARG 102 N -2.42 1.94 0.77 5.86 0.52 -1.26 -5.07 118.95 119.29 1pqf s ARG 102 Ca 0.60 -0.42 -0.11 0.00 -0.52 0.00 0.00 55.73 55.29 1pqf s ARG 102 Cb -0.39 -1.85 0.05 0.00 0.52 0.00 0.00 34.95 33.28 1pqf s ARG 102 CO 0.50 -0.24 1.08 -1.25 0.02 0.00 0.00 175.30 175.41 1pqf s PRO 103 N 1.56 2.28 -0.35 3.54 0.04 -1.26 -5.00 135.00 135.81 1pqf s PRO 103 Ca 0.04 1.03 -0.14 0.00 0.04 0.00 0.00 61.00 61.97 1pqf s PRO 103 Cb -0.13 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.49 1pqf s PRO 103 CO -0.09 -1.58 0.29 -0.80 0.04 0.00 0.00 177.00 174.86 1pqf s ASN 104 N -3.54 6.11 -0.02 6.66 0.01 -0.28 -4.93 114.94 118.94 1pqf s ASN 104 Ca 0.61 -0.43 0.07 0.00 -0.71 0.00 0.00 52.86 52.40 1pqf s ASN 104 Cb -0.16 -2.16 -0.02 0.00 0.41 0.00 0.00 41.25 39.32 1pqf s ASN 104 CO 0.56 -0.30 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.92 1pqf s VAL 105 N 1.82 1.83 -0.05 1.60 1.01 -1.26 -0.88 120.40 124.47 1pqf s VAL 105 Ca 0.08 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.12 1pqf s VAL 105 Cb -0.17 -1.52 -0.00 0.00 0.00 0.00 0.00 36.38 34.68 1pqf s VAL 105 CO 0.11 0.52 -0.18 0.00 0.00 0.00 0.00 175.10 175.54 1pqf s ALA 106 N -0.50 1.62 0.19 5.51 0.00 -0.65 -4.87 121.76 123.06 1pqf s ALA 106 Ca 0.08 -0.74 0.08 0.00 0.00 0.00 0.00 51.96 51.38 1pqf s ALA 106 Cb -0.09 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 1pqf s ALA 106 CO -0.00 0.29 -0.03 0.71 0.00 0.00 0.00 175.76 176.73 1pqf s TYR 107 N 0.03 2.76 0.08 0.00 2.02 -1.26 -1.12 117.35 119.86 1pqf s TYR 107 Ca -0.04 -0.17 0.04 0.00 -0.37 0.00 0.00 57.07 56.52 1pqf s TYR 107 Cb -0.12 -1.33 -0.03 0.00 -0.40 0.00 0.00 41.96 40.08 1pqf s TYR 107 CO 0.03 0.53 -0.11 -0.06 -1.57 0.00 0.00 175.55 174.37 1pqf s PHE 108 N -1.79 1.02 0.13 2.71 0.40 -1.26 -0.67 117.98 118.52 1pqf s PHE 108 Ca 0.27 -0.58 -0.02 0.00 -0.60 0.00 0.00 56.93 56.00 1pqf s PHE 108 Cb -0.09 -0.57 -0.04 0.00 0.51 0.00 0.00 43.02 42.84 1pqf s PHE 108 CO 0.18 -0.00 0.08 -1.83 0.70 0.00 0.00 175.22 174.34 1pqf s GLU 109 N -2.32 0.94 3.64 0.44 -1.05 -0.12 -4.88 118.70 115.34 1pqf s GLU 109 Ca 0.01 -1.39 0.00 0.00 -0.15 0.00 0.00 54.97 53.44 1pqf s GLU 109 Cb -0.06 0.26 0.00 0.00 -0.44 0.00 0.00 34.13 33.89 1pqf s GLU 109 CO 0.01 -0.27 0.00 0.41 0.95 0.00 0.00 175.26 176.35 1pqf n GLY 110 N -0.10 3.08 2.91 -3.83 0.00 -1.26 -1.30 105.19 104.68 1pqf n GLY 110 Ca -0.06 0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1pqf n GLY 110 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pqf n ASP 111 N 3.55 5.41 -4.05 1.61 2.03 -1.26 -4.56 116.55 119.29 1pqf n ASP 111 Ca 0.00 -3.18 -0.33 0.00 0.52 0.00 0.00 54.79 51.80 1pqf n ASP 111 Cb 0.00 -1.43 -0.01 0.00 -0.72 0.00 0.00 41.12 38.96 1pqf n ASP 111 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1pqf n ASN 112 N 3.28 -3.71 -4.62 1.67 3.02 -1.23 -4.94 115.26 108.73 1pqf n ASN 112 Ca 0.36 -0.88 -0.41 0.00 -0.03 0.00 0.00 54.58 53.62 1pqf n ASN 112 Cb 0.36 -3.02 -0.06 0.00 -0.61 0.00 0.00 39.78 36.45 1pqf n ASN 112 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1pqf s GLU 113 N -6.75 4.04 0.15 3.52 2.02 -0.42 -4.89 118.70 116.37 1pqf s GLU 113 Ca 0.69 0.59 -0.31 0.00 0.02 0.00 0.00 54.97 55.97 1pqf s GLU 113 Cb -0.37 -3.69 -0.08 0.00 0.10 0.00 0.00 34.13 30.09 1pqf s GLU 113 CO 0.85 -0.54 1.37 1.41 0.02 0.00 0.00 175.26 178.36 1pqf s MET 114 N 2.73 4.34 -0.20 1.61 -2.45 -1.26 -0.95 119.30 123.12 1pqf s MET 114 Ca 0.30 2.08 -0.29 0.00 -1.25 0.00 0.00 55.69 56.53 1pqf s MET 114 Cb -0.15 -3.22 -0.02 0.00 1.25 0.00 0.00 34.83 32.69 1pqf s MET 114 CO 0.10 -0.38 1.49 0.15 1.05 0.00 0.00 175.02 177.43 1pqf s LYS 115 N 0.61 3.96 0.00 4.11 1.02 0.15 -4.91 119.74 124.68 1pqf s LYS 115 Ca 0.62 1.66 0.00 0.00 0.02 0.00 0.00 55.97 58.26 1pqf s LYS 115 Cb -0.37 -3.94 0.00 0.00 -0.52 0.00 0.00 37.83 33.00 1pqf s LYS 115 CO 0.34 -1.08 0.32 0.54 -0.92 0.00 0.00 175.35 174.55