#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1puq s LYS 2 N 0.00 2.81 0.01 0.03 2.20 -1.26 -5.05 119.74 118.47 1puq s LYS 2 Ca 0.00 -1.31 0.00 0.00 -0.36 0.00 0.00 55.97 54.30 1puq s LYS 2 Cb 0.00 -3.91 -0.01 0.00 -1.51 0.00 0.00 37.83 32.41 1puq s LYS 2 CO 0.00 -0.91 -0.01 -1.59 -0.36 0.00 0.00 175.35 172.48 1puq s LYS 3 N 1.55 0.09 -0.09 4.03 -2.85 -1.26 -1.04 119.74 120.16 1puq s LYS 3 Ca 0.03 -0.17 -0.06 0.00 -1.00 0.00 0.00 55.97 54.77 1puq s LYS 3 Cb -0.22 0.03 0.03 0.00 -2.06 0.00 0.00 37.83 35.61 1puq s LYS 3 CO 0.05 -0.01 0.22 -0.48 0.10 0.00 0.00 175.35 175.23 1puq s LEU 4 N -0.42 0.78 0.12 2.77 0.05 0.20 -4.95 118.68 117.23 1puq s LEU 4 Ca -0.05 0.47 0.03 0.00 0.05 0.00 0.00 54.13 54.63 1puq s LEU 4 Cb -0.03 0.71 -0.04 0.00 -2.05 0.00 0.00 46.19 44.78 1puq s LEU 4 CO -0.00 -0.12 0.19 -1.10 -0.55 0.00 0.00 176.35 174.76 1puq s GLN 5 N 0.74 3.18 -0.11 1.48 -0.21 -1.26 -1.00 119.66 122.48 1puq s GLN 5 Ca -0.05 -0.66 -0.05 0.00 0.02 0.00 0.00 55.36 54.62 1puq s GLN 5 Cb -0.07 -2.85 0.05 0.00 1.00 0.00 0.00 33.01 31.15 1puq s GLN 5 CO -0.04 0.54 0.25 0.42 -2.12 0.00 0.00 175.29 174.33 1puq s ILE 6 N -1.62 -0.15 -0.11 1.08 1.09 0.40 -3.36 121.20 118.52 1puq s ILE 6 Ca 0.33 0.19 0.02 0.00 -1.10 0.00 0.00 60.65 60.09 1puq s ILE 6 Cb -0.11 -0.39 0.01 0.00 -1.06 0.00 0.00 42.46 40.91 1puq s ILE 6 CO 0.26 0.08 -0.16 0.00 -0.10 0.00 0.00 174.94 175.02 1puq s ALA 7 N 1.63 1.73 0.16 9.38 0.00 -1.25 0.46 121.76 133.86 1puq s ALA 7 Ca -0.06 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.17 1puq s ALA 7 Cb -0.11 -0.84 -0.05 0.00 0.00 0.00 0.00 23.12 22.13 1puq s ALA 7 CO -0.08 -0.06 -0.04 0.14 0.00 0.00 0.00 175.76 175.71 1puq s VAL 8 N 0.96 0.85 -0.12 0.00 -7.23 0.20 -2.67 120.40 112.38 1puq s VAL 8 Ca -0.07 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.07 1puq s VAL 8 Cb -0.15 -1.99 0.06 0.00 0.56 0.00 0.00 36.38 34.85 1puq s VAL 8 CO -0.01 -0.60 0.15 -0.83 -0.31 0.00 0.00 175.10 173.49 1puq s GLY 9 N -3.16 0.12 -0.39 2.32 0.00 -0.72 0.19 107.32 105.68 1puq s GLY 9 Ca 0.20 0.29 -0.28 0.00 0.00 0.00 0.00 44.72 44.93 1puq s GLY 9 CO 0.02 1.75 1.65 -0.42 0.00 0.00 0.00 173.10 176.10 1puq s ILE 10 N 2.26 3.63 0.03 0.90 -1.09 -0.70 -4.43 121.20 121.79 1puq s ILE 10 Ca 0.04 0.62 -0.30 0.00 -2.23 0.00 0.00 60.65 58.78 1puq s ILE 10 Cb -0.14 -3.89 -0.06 0.00 -1.58 0.00 0.00 42.46 36.79 1puq s ILE 10 CO -0.07 -0.60 1.36 -0.63 -1.23 0.00 0.00 174.94 173.77 1puq s ILE 11 N 6.49 3.71 -0.21 2.92 1.01 -1.26 -2.80 121.20 131.05 1puq s ILE 11 Ca 0.71 1.14 -0.19 0.00 0.00 0.00 0.00 60.65 62.32 1puq s ILE 11 Cb -0.18 -3.73 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 1puq s ILE 11 CO 0.32 0.03 0.55 -0.13 0.00 0.00 0.00 174.94 175.70 1puq s ARG 12 N 1.98 4.17 0.25 2.79 1.81 -1.25 -1.06 118.95 127.64 1puq s ARG 12 Ca 0.63 0.45 -0.04 0.00 -1.72 0.00 0.00 55.73 55.04 1puq s ARG 12 Cb -0.32 -3.59 0.06 0.00 -0.45 0.00 0.00 34.95 30.65 1puq s ARG 12 CO 0.27 -0.22 0.33 -1.71 -0.68 0.00 0.00 175.30 173.29 1puq n ASN 13 N 5.04 0.01 -0.10 0.23 4.05 0.52 -3.16 115.26 121.84 1puq n ASN 13 Ca -0.04 -1.12 0.09 0.00 0.45 0.00 0.00 54.58 53.97 1puq n ASN 13 Cb 0.50 -0.25 0.51 0.00 1.23 0.00 0.00 39.78 41.77 1puq n ASN 13 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1puq n GLU 14 N -1.71 1.13 -2.75 1.20 0.00 -1.26 -3.95 120.64 113.30 1puq n GLU 14 Ca 0.04 -0.20 -0.11 0.00 0.00 0.00 0.00 57.16 56.89 1puq n GLU 14 Cb 0.14 -1.31 0.02 0.00 0.00 0.00 0.00 31.44 30.30 1puq n GLU 14 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1puq n ASN 15 N -0.58 1.41 -1.74 4.31 4.05 -1.26 -4.94 115.26 116.51 1puq n ASN 15 Ca 0.14 -2.79 -0.06 0.00 0.45 0.00 0.00 54.58 52.32 1puq n ASN 15 Cb 0.11 -0.54 -0.02 0.00 1.23 0.00 0.00 39.78 40.56 1puq n ASN 15 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 177.26 173.75 1puq n ASN 16 N -0.01 -1.96 -4.40 1.20 0.23 -1.25 -4.89 115.26 104.17 1puq n ASN 16 Ca 0.13 0.24 -0.32 0.00 -0.53 0.00 0.00 54.58 54.09 1puq n ASN 16 Cb 0.79 -1.93 -0.14 0.00 -2.08 0.00 0.00 39.78 36.41 1puq n ASN 16 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 1puq s GLU 17 N -3.59 2.62 -0.09 -3.83 -1.05 -1.26 -4.44 118.70 107.05 1puq s GLU 17 Ca 0.00 -0.76 -0.03 0.00 -0.15 0.00 0.00 54.97 54.03 1puq s GLU 17 Cb 0.00 -2.34 -0.03 0.00 -0.44 0.00 0.00 34.13 31.31 1puq s GLU 17 CO 0.00 0.50 0.02 0.42 0.95 0.00 0.00 175.26 177.16 1puq s ILE 18 N -0.43 4.49 -0.41 1.83 1.01 0.36 0.19 121.20 128.24 1puq s ILE 18 Ca 0.05 -0.18 -0.25 0.00 0.00 0.00 0.00 60.65 60.27 1puq s ILE 18 Cb -0.12 -2.90 0.02 0.00 0.01 0.00 0.00 42.46 39.47 1puq s ILE 18 CO 0.02 0.60 0.89 0.12 0.00 0.00 0.00 174.94 176.57 1puq s PHE 19 N -0.85 3.02 0.08 3.97 2.19 -0.22 -2.01 117.98 124.15 1puq s PHE 19 Ca 0.13 0.55 0.06 0.00 0.33 0.00 0.00 56.93 58.00 1puq s PHE 19 Cb -0.11 -3.73 -0.03 0.00 -1.31 0.00 0.00 43.02 37.83 1puq s PHE 19 CO 0.02 -0.93 -0.17 0.96 1.83 0.00 0.00 175.22 176.94 1puq s ILE 20 N 3.51 1.32 -0.32 3.12 -4.36 -1.25 -4.15 121.20 119.06 1puq s ILE 20 Ca 0.36 -1.38 -0.29 0.00 -0.26 0.00 0.00 60.65 59.08 1puq s ILE 20 Cb -0.11 -1.24 -0.01 0.00 1.25 0.00 0.00 42.46 42.35 1puq s ILE 20 CO 0.22 -0.16 1.63 0.42 0.24 0.00 0.00 174.94 177.28 1puq s THR 21 N -1.23 3.68 -0.08 8.37 -4.23 0.17 -3.69 115.64 118.62 1puq s THR 21 Ca 0.01 0.71 -0.01 0.00 -1.18 0.00 0.00 61.69 61.22 1puq s THR 21 Cb -0.10 -3.83 0.03 0.00 1.34 0.00 0.00 72.50 69.94 1puq s THR 21 CO 0.03 -0.48 -0.02 -0.60 -0.54 0.00 0.00 174.62 173.02 1puq s ARG 22 N 5.13 0.83 -0.76 3.99 3.52 -1.26 0.22 118.95 130.63 1puq s ARG 22 Ca 0.72 0.01 0.00 0.00 -0.13 0.00 0.00 55.73 56.32 1puq s ARG 22 Cb -0.21 -1.15 0.00 0.00 -1.56 0.00 0.00 34.95 32.03 1puq s ARG 22 CO 0.32 -0.30 0.00 0.54 -0.81 0.00 0.00 175.30 175.05 1puq n ARG 23 N 5.10 -1.99 0.00 5.12 1.74 -1.25 -4.64 116.66 120.74 1puq n ARG 23 Ca -0.08 0.43 0.00 0.00 -0.77 0.00 0.00 57.85 57.42 1puq n ARG 23 Cb 0.50 -4.83 0.00 0.00 -1.02 0.00 0.00 32.46 27.11 1puq n ARG 23 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1puq n ALA 24 N -1.45 0.00 -0.03 7.54 0.00 -1.25 -4.07 120.51 121.25 1puq n ALA 24 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.27 1puq n ALA 24 Cb 0.46 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.77 1puq n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1puq n ALA 25 N 0.16 1.52 -2.20 0.00 0.00 -1.23 -4.68 120.51 114.09 1puq n ALA 25 Ca 0.00 -0.81 -0.05 0.00 0.00 0.00 0.00 53.44 52.59 1puq n ALA 25 Cb 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1puq n ALA 25 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1puq n ASP 26 N -3.01 -1.03 -1.66 0.00 5.75 -1.26 -5.13 116.55 110.20 1puq n ASP 26 Ca -0.18 -1.88 0.00 0.00 -0.01 0.00 0.00 54.79 52.72 1puq n ASP 26 Cb 1.05 0.39 0.00 0.00 -1.03 0.00 0.00 41.12 41.53 1puq n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1puq n ALA 27 N -0.50 0.00 -0.08 2.12 0.00 -1.26 -5.07 120.51 115.73 1puq n ALA 27 Ca -0.22 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.13 1puq n ALA 27 Cb 0.72 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.08 1puq n ALA 27 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1puq n HIS 28 N -0.91 0.00 -1.58 0.00 -0.00 -1.26 -4.86 115.22 106.61 1puq n HIS 28 Ca 0.00 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.04 1puq n HIS 28 Cb 0.00 -0.65 -0.09 0.00 -0.12 0.00 0.00 29.99 29.13 1puq n HIS 28 CO 0.00 0.00 0.00 -1.64 0.46 0.00 0.00 176.34 175.16 1puq s MET 29 N -2.33 1.43 0.41 1.57 -1.94 -1.26 -4.68 119.30 112.51 1puq s MET 29 Ca -0.17 0.16 0.24 0.00 -1.71 0.00 0.00 55.69 54.21 1puq s MET 29 Cb 0.05 -4.85 0.43 0.00 2.01 0.00 0.00 34.83 32.46 1puq s MET 29 CO 0.45 -4.85 1.64 0.00 -0.01 0.00 0.00 175.02 172.25 1puq h ALA 30 N 12.30 1.00 -0.82 3.03 0.00 -1.89 -3.23 119.26 129.65 1puq h ALA 30 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.47 1puq h ALA 30 Cb 1.00 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.54 1puq h ALA 30 CO 1.01 0.00 0.56 0.09 0.00 0.00 0.00 179.25 180.91 1puq n ASN 31 N -3.00 4.04 -1.57 0.00 4.13 -1.26 -3.97 115.26 113.63 1puq n ASN 31 Ca 0.04 -3.34 -0.06 0.00 1.68 0.00 0.00 54.58 52.89 1puq n ASN 31 Cb 0.51 -0.81 0.24 0.00 -1.54 0.00 0.00 39.78 38.19 1puq n ASN 31 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1puq n LYS 32 N -0.81 2.69 -1.18 3.52 0.00 -1.22 -4.13 118.16 117.04 1puq n LYS 32 Ca 0.49 -3.06 -0.32 0.00 0.00 0.00 0.00 58.31 55.42 1puq n LYS 32 Cb 1.37 -2.02 -0.10 0.00 0.00 0.00 0.00 35.03 34.28 1puq n LYS 32 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1puq n LEU 33 N -0.73 1.90 0.00 3.14 0.00 -1.21 -4.34 117.00 115.76 1puq n LEU 33 Ca 0.39 -2.29 -0.11 0.00 0.00 0.00 0.00 56.01 54.01 1puq n LEU 33 Cb 1.24 -1.18 -0.02 0.00 0.00 0.00 0.00 43.42 43.47 1puq n LEU 33 CO 0.34 -2.26 -0.05 1.21 0.00 0.00 0.00 177.39 176.63 1puq n GLU 34 N 7.93 1.49 -4.55 1.96 2.13 0.13 -4.25 120.64 125.47 1puq n GLU 34 Ca 0.45 -1.23 -0.27 0.00 0.66 0.00 0.00 57.16 56.77 1puq n GLU 34 Cb 0.44 0.28 -0.10 0.00 0.27 0.00 0.00 31.44 32.33 1puq n GLU 34 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1puq s PHE 35 N -1.44 2.50 0.71 4.31 0.40 -1.26 -0.66 117.98 122.54 1puq s PHE 35 Ca 0.03 -0.61 -0.10 0.00 -0.60 0.00 0.00 56.93 55.65 1puq s PHE 35 Cb -0.00 -1.68 0.04 0.00 0.51 0.00 0.00 43.02 41.88 1puq s PHE 35 CO 0.02 0.46 1.07 -1.25 0.70 0.00 0.00 175.22 176.22 1puq s PRO 36 N -3.70 2.55 0.00 0.24 0.04 -1.26 -4.49 135.00 128.38 1puq s PRO 36 Ca 0.35 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.57 1puq s PRO 36 Cb 0.07 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1puq s PRO 36 CO 0.18 -1.15 0.00 0.41 0.04 0.00 0.00 177.00 176.48 1puq n GLY 37 N -3.00 0.30 3.65 0.56 0.00 -1.26 -1.76 105.19 103.69 1puq n GLY 37 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1puq n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1puq n GLY 38 N -1.83 -0.52 2.08 -0.02 0.00 -1.09 -3.54 105.19 100.27 1puq n GLY 38 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1puq n GLY 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1puq n LYS 39 N -3.97 0.00 -0.11 1.61 4.81 -1.26 -4.90 118.16 114.33 1puq n LYS 39 Ca 0.12 0.00 0.27 0.00 -0.87 0.00 0.00 58.31 57.83 1puq n LYS 39 Cb 0.52 -1.58 0.71 0.00 0.02 0.00 0.00 35.03 34.70 1puq n LYS 39 CO 0.00 0.00 0.00 -0.84 1.17 0.00 0.00 177.40 177.73 1puq h ILE 40 N 0.00 0.39 -0.55 3.15 3.07 -1.77 -2.16 117.51 119.64 1puq h ILE 40 Ca 0.00 0.00 0.06 0.00 1.55 0.00 0.00 64.86 66.47 1puq h ILE 40 Cb 0.00 0.50 -0.08 0.00 -0.27 0.00 0.00 36.82 36.97 1puq h ILE 40 CO 0.00 0.00 -0.49 1.05 -1.05 0.00 0.00 178.15 177.66 1puq h GLU 41 N 0.00 -0.20 0.00 0.16 -0.00 -1.89 -3.34 114.58 109.31 1puq h GLU 41 Ca 0.38 0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.75 1puq h GLU 41 Cb 1.73 0.05 0.00 0.00 -0.00 0.00 0.00 28.75 30.52 1puq h GLU 41 CO -0.00 -0.13 0.00 -1.33 -0.00 0.00 0.00 179.01 177.54 1puq n MET 42 N -4.95 0.00 -0.89 1.06 2.81 -0.81 -3.57 117.12 110.76 1puq n MET 42 Ca -0.01 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.87 1puq n MET 42 Cb 0.26 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 32.77 1puq n MET 42 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1puq n GLY 43 N 0.00 -0.35 0.27 3.03 0.00 -1.25 -5.15 105.19 101.74 1puq n GLY 43 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1puq n GLY 43 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1puq n GLU 44 N -0.08 0.58 -3.96 1.61 4.71 -1.23 -5.08 120.64 117.18 1puq n GLU 44 Ca -0.05 -0.19 -0.28 0.00 -0.01 0.00 0.00 57.16 56.64 1puq n GLU 44 Cb 0.39 -0.05 -0.04 0.00 -1.01 0.00 0.00 31.44 30.74 1puq n GLU 44 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1puq s THR 45 N 0.02 5.17 0.61 2.62 2.01 -1.26 -4.76 115.64 120.04 1puq s THR 45 Ca 0.05 -0.65 0.26 0.00 0.31 0.00 0.00 61.69 61.65 1puq s THR 45 Cb -0.00 -3.60 0.36 0.00 0.01 0.00 0.00 72.50 69.27 1puq s THR 45 CO 0.03 -0.00 1.47 1.55 -0.69 0.00 0.00 174.62 176.97 1puq h PRO 46 N 2.57 0.00 0.00 4.92 0.13 -1.99 1.44 132.00 139.07 1puq h PRO 46 Ca -0.47 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.30 1puq h PRO 46 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 1puq h PRO 46 CO 0.70 0.00 -2.33 0.39 -0.23 0.00 0.00 178.00 176.53 1puq n GLU 47 N -3.30 0.57 0.18 0.86 4.71 -1.26 -4.51 120.64 117.89 1puq n GLU 47 Ca 0.17 0.16 0.12 0.00 -0.01 0.00 0.00 57.16 57.60 1puq n GLU 47 Cb 1.22 -1.45 0.24 0.00 -1.01 0.00 0.00 31.44 30.44 1puq n GLU 47 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 1puq h GLN 48 N -0.20 0.00 -0.14 3.49 4.20 -1.47 -3.12 115.11 117.88 1puq h GLN 48 Ca -0.54 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.19 1puq h GLN 48 Cb 1.75 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.50 1puq h GLN 48 CO -0.15 0.00 -0.03 0.00 -0.67 0.00 0.00 178.83 177.99 1puq h ALA 49 N 2.16 0.09 0.03 3.87 0.00 0.17 0.50 119.26 126.09 1puq h ALA 49 Ca 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1puq h ALA 49 Cb 0.92 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.81 1puq h ALA 49 CO 0.00 -0.48 -0.28 -0.39 0.00 0.00 0.00 179.25 178.10 1puq h VAL 50 N 0.01 1.64 -0.74 0.00 -1.51 -1.78 -2.29 116.25 111.58 1puq h VAL 50 Ca 0.06 -2.24 0.08 0.00 -1.23 0.00 0.00 66.70 63.37 1puq h VAL 50 Cb 0.10 3.13 -0.05 0.00 -2.13 0.00 0.00 31.29 32.33 1puq h VAL 50 CO -0.13 0.61 0.48 0.58 -1.23 0.00 0.00 177.57 177.88 1puq h VAL 51 N -0.67 0.97 0.03 7.19 2.07 -1.51 0.71 116.25 125.03 1puq h VAL 51 Ca -0.05 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 1puq h VAL 51 Cb 1.15 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1puq h VAL 51 CO 0.05 0.13 -0.01 0.03 0.02 0.00 0.00 177.57 177.79 1puq h ARG 52 N 0.69 -0.04 0.00 1.57 2.47 -0.08 -3.26 114.38 115.74 1puq h ARG 52 Ca 0.33 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.05 1puq h ARG 52 Cb 0.39 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.72 1puq h ARG 52 CO -0.12 0.67 -0.04 0.93 0.56 0.00 0.00 179.97 181.98 1puq h GLU 53 N -0.90 0.00 -0.55 0.04 4.39 -1.12 -2.58 114.58 113.87 1puq h GLU 53 Ca -0.00 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.73 1puq h GLU 53 Cb 0.72 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.33 1puq h GLU 53 CO 0.01 0.04 0.32 1.25 -1.16 0.00 0.00 179.01 179.46 1puq h LEU 54 N 0.00 0.51 -1.14 1.33 5.85 0.40 0.74 115.31 123.00 1puq h LEU 54 Ca -0.00 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 1puq h LEU 54 Cb 0.20 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1puq h LEU 54 CO 0.00 0.36 -0.35 -0.61 -0.34 0.00 0.00 178.44 177.50 1puq h GLN 55 N 0.63 0.14 0.00 1.25 5.75 -1.56 0.21 115.11 121.52 1puq h GLN 55 Ca 0.22 -0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.56 1puq h GLN 55 Cb 0.05 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 1puq h GLN 55 CO -0.11 0.48 -0.50 1.49 -2.65 0.00 0.00 178.83 177.54 1puq h GLU 56 N 0.12 0.00 -0.26 1.69 4.22 -1.16 0.13 114.58 119.32 1puq h GLU 56 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.45 1puq h GLU 56 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1puq h GLU 56 CO 0.05 0.50 0.00 0.39 -2.18 0.00 0.00 179.01 177.77 1puq n GLU 57 N -3.33 2.06 0.00 1.92 1.02 0.24 0.92 120.64 123.47 1puq n GLU 57 Ca 0.01 -1.84 0.00 0.00 -0.02 0.00 0.00 57.16 55.31 1puq n GLU 57 Cb 0.68 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 1puq n GLU 57 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1puq n VAL 58 N 0.79 0.00 0.00 2.62 0.31 0.68 -4.00 118.33 118.73 1puq n VAL 58 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1puq n VAL 58 Cb 0.42 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 1puq n VAL 58 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1puq n GLY 59 N 2.00 0.36 2.42 2.92 0.00 0.45 0.06 105.19 113.39 1puq n GLY 59 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1puq n GLY 59 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1puq n ILE 60 N -1.08 0.00 -3.80 -0.61 -5.35 -1.26 -4.86 119.36 102.40 1puq n ILE 60 Ca 0.00 -0.87 -0.33 0.00 -0.27 0.00 0.00 62.75 61.27 1puq n ILE 60 Cb 0.00 -1.26 -0.11 0.00 -1.74 0.00 0.00 39.64 36.53 1puq n ILE 60 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1puq s THR 61 N -2.13 3.34 0.04 7.28 -4.23 -1.26 -5.00 115.64 113.68 1puq s THR 61 Ca 0.43 -3.34 0.05 0.00 -1.18 0.00 0.00 61.69 57.65 1puq s THR 61 Cb -0.02 -3.20 -0.03 0.00 1.34 0.00 0.00 72.50 70.58 1puq s THR 61 CO 0.29 -0.89 -0.12 -2.16 -0.54 0.00 0.00 174.62 171.20 1puq s PRO 62 N -0.46 2.29 -1.24 3.99 0.04 -1.26 -3.30 135.00 135.05 1puq s PRO 62 Ca 0.19 -0.88 -0.20 0.00 0.04 0.00 0.00 61.00 60.15 1puq s PRO 62 Cb -0.19 -2.35 -0.01 0.00 0.04 0.00 0.00 34.50 32.00 1puq s PRO 62 CO -0.05 0.56 1.84 1.04 0.04 0.00 0.00 177.00 180.43 1puq n GLN 63 N 1.40 2.40 -4.77 4.56 6.02 -0.46 -4.85 117.38 121.68 1puq n GLN 63 Ca -0.15 -2.87 -0.31 0.00 -0.01 0.00 0.00 57.00 53.66 1puq n GLN 63 Cb 0.52 -3.61 -0.17 0.00 1.02 0.00 0.00 30.24 28.01 1puq n GLN 63 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1puq s HIS 64 N 7.60 2.36 0.00 1.08 2.46 -1.24 -0.37 115.29 127.19 1puq s HIS 64 Ca 0.61 -1.09 0.00 0.00 0.47 0.00 0.00 55.06 55.05 1puq s HIS 64 Cb 0.02 -1.62 0.00 0.00 -0.13 0.00 0.00 32.58 30.85 1puq s HIS 64 CO 0.11 -0.49 0.00 0.34 -2.47 0.00 0.00 174.74 172.22 1puq n PHE 65 N 3.92 0.00 0.00 3.88 7.35 -1.19 -4.95 117.46 126.48 1puq n PHE 65 Ca -0.20 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.49 1puq n PHE 65 Cb 0.52 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.35 1puq n PHE 65 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1puq n SER 66 N 0.00 0.00 -4.54 -2.13 7.64 -1.22 -4.10 113.62 109.27 1puq n SER 66 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 1puq n SER 66 Cb 0.00 0.29 -0.12 0.00 -1.01 0.00 0.00 64.21 63.37 1puq n SER 66 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 1puq s LEU 67 N -2.25 3.10 -0.11 -3.43 0.05 -1.26 0.14 118.68 114.93 1puq s LEU 67 Ca 0.00 -0.08 -0.01 0.00 0.05 0.00 0.00 54.13 54.09 1puq s LEU 67 Cb 0.00 -1.69 -0.25 0.00 -2.05 0.00 0.00 46.19 42.21 1puq s LEU 67 CO 0.00 0.31 0.38 0.33 -0.55 0.00 0.00 176.35 176.82 1puq n PHE 68 N 2.56 1.09 -3.62 3.48 -0.00 -0.86 -4.50 117.46 115.61 1puq n PHE 68 Ca -0.18 0.26 -0.07 0.00 -0.00 0.00 0.00 57.45 57.46 1puq n PHE 68 Cb 0.53 -1.15 -0.06 0.00 -0.00 0.00 0.00 39.48 38.79 1puq n PHE 68 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 1puq s GLU 69 N -2.56 0.39 -0.06 -4.13 2.12 -0.33 -4.99 118.70 109.14 1puq s GLU 69 Ca -0.19 0.28 -0.03 0.00 0.36 0.00 0.00 54.97 55.39 1puq s GLU 69 Cb 0.07 0.19 0.03 0.00 0.26 0.00 0.00 34.13 34.68 1puq s GLU 69 CO 0.77 -0.08 0.13 -1.59 -0.54 0.00 0.00 175.26 173.95 1puq s LYS 70 N -0.39 0.09 0.02 4.30 0.00 -1.26 0.12 119.74 122.62 1puq s LYS 70 Ca 0.03 0.31 -0.02 0.00 0.00 0.00 0.00 55.97 56.30 1puq s LYS 70 Cb -0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 37.83 37.65 1puq s LYS 70 CO -0.06 -0.13 0.00 -0.48 0.00 0.00 0.00 175.35 174.68 1puq s LEU 71 N 0.93 2.12 -0.22 2.77 0.05 -0.46 -4.95 118.68 118.92 1puq s LEU 71 Ca -0.07 -0.50 -0.01 0.00 0.05 0.00 0.00 54.13 53.60 1puq s LEU 71 Cb -0.09 0.23 0.06 0.00 -2.05 0.00 0.00 46.19 44.34 1puq s LEU 71 CO -0.04 -0.35 -0.01 -0.70 -0.55 0.00 0.00 176.35 174.70 1puq s GLU 72 N -1.72 1.16 0.08 1.48 2.12 -1.26 -1.59 118.70 118.97 1puq s GLU 72 Ca -0.13 -0.72 0.06 0.00 0.36 0.00 0.00 54.97 54.54 1puq s GLU 72 Cb -0.08 -2.36 -0.03 0.00 0.26 0.00 0.00 34.13 31.92 1puq s GLU 72 CO -0.02 -0.62 -0.17 1.52 -0.54 0.00 0.00 175.26 175.43 1puq s TYR 73 N 1.62 1.47 -0.10 5.30 1.13 -1.05 -5.02 117.35 120.70 1puq s TYR 73 Ca -0.03 -0.44 0.04 0.00 -1.41 0.00 0.00 57.07 55.22 1puq s TYR 73 Cb -0.18 -0.82 0.00 0.00 -1.10 0.00 0.00 41.96 39.87 1puq s TYR 73 CO -0.07 0.12 -0.22 -1.83 -2.51 0.00 0.00 175.55 171.04 1puq s GLU 74 N -1.78 2.87 0.70 -3.49 -1.05 -1.26 -1.74 118.70 112.95 1puq s GLU 74 Ca 0.02 -0.82 -0.11 0.00 -0.15 0.00 0.00 54.97 53.91 1puq s GLU 74 Cb -0.10 -2.20 0.01 0.00 -0.44 0.00 0.00 34.13 31.41 1puq s GLU 74 CO 0.03 0.14 1.08 -0.06 0.95 0.00 0.00 175.26 177.40 1puq s PHE 75 N 0.43 3.30 -0.70 4.83 0.40 0.40 -4.83 117.98 121.81 1puq s PHE 75 Ca -0.17 1.15 -0.16 0.00 -0.60 0.00 0.00 56.93 57.14 1puq s PHE 75 Cb -0.17 -2.99 -0.17 0.00 0.51 0.00 0.00 43.02 40.20 1puq s PHE 75 CO 0.07 -1.17 1.86 -0.35 0.70 0.00 0.00 175.22 176.33 1puq n PRO 76 N -3.03 0.14 -0.30 0.24 -0.04 -1.26 0.14 135.00 130.89 1puq n PRO 76 Ca 0.07 -0.74 0.00 0.00 -0.04 0.00 0.00 63.50 62.78 1puq n PRO 76 Cb 0.56 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 1puq n PRO 76 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1puq n ASP 77 N 12.79 -0.90 -4.03 3.54 8.00 -1.26 -5.08 116.55 129.60 1puq n ASP 77 Ca 0.35 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.74 1puq n ASP 77 Cb 0.41 -0.15 -0.11 0.00 -0.02 0.00 0.00 41.12 41.25 1puq n ASP 77 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1puq s ARG 78 N -0.65 0.46 -0.19 -1.24 3.52 0.36 -4.64 118.95 116.56 1puq s ARG 78 Ca 0.00 -0.72 0.00 0.00 -0.13 0.00 0.00 55.73 54.88 1puq s ARG 78 Cb 0.00 -0.15 0.05 0.00 -1.56 0.00 0.00 34.95 33.29 1puq s ARG 78 CO 0.00 0.01 -0.06 -1.58 -0.81 0.00 0.00 175.30 172.86 1puq s HIS 79 N -1.46 2.07 -0.16 5.12 2.46 -0.21 0.15 115.29 123.28 1puq s HIS 79 Ca -0.12 -1.41 0.00 0.00 0.47 0.00 0.00 55.06 54.01 1puq s HIS 79 Cb -0.10 -1.47 0.02 0.00 -0.13 0.00 0.00 32.58 30.91 1puq s HIS 79 CO -0.00 -0.70 -0.14 -1.50 -2.47 0.00 0.00 174.74 169.93 1puq s ILE 80 N 1.51 1.61 -0.26 0.89 2.07 -0.71 0.59 121.20 126.90 1puq s ILE 80 Ca -0.02 -0.69 -0.07 0.00 -1.41 0.00 0.00 60.65 58.46 1puq s ILE 80 Cb -0.17 -1.52 -0.02 0.00 0.13 0.00 0.00 42.46 40.88 1puq s ILE 80 CO -0.07 0.43 0.08 -0.89 -1.91 0.00 0.00 174.94 172.58 1puq s THR 81 N 1.47 4.28 -0.24 4.00 2.01 -0.17 -2.52 115.64 124.47 1puq s THR 81 Ca 0.04 -0.28 0.01 0.00 0.31 0.00 0.00 61.69 61.78 1puq s THR 81 Cb -0.13 -3.05 0.04 0.00 0.01 0.00 0.00 72.50 69.37 1puq s THR 81 CO -0.11 0.28 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.22 1puq s LEU 82 N 1.60 3.02 -0.22 4.42 1.43 -0.62 0.15 118.68 128.45 1puq s LEU 82 Ca 0.06 -1.03 -0.06 0.00 -1.03 0.00 0.00 54.13 52.07 1puq s LEU 82 Cb -0.16 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 1puq s LEU 82 CO 0.04 -0.12 0.03 0.26 0.23 0.00 0.00 176.35 176.78 1puq s TRP 83 N 1.23 3.06 -0.26 0.29 0.52 0.17 -1.36 118.94 122.59 1puq s TRP 83 Ca -0.02 -0.47 -0.08 0.00 0.02 0.00 0.00 56.10 55.54 1puq s TRP 83 Cb -0.17 -2.15 -0.03 0.00 -1.15 0.00 0.00 33.47 29.96 1puq s TRP 83 CO -0.07 -0.31 0.10 -0.06 0.02 0.00 0.00 176.95 176.63 1puq s PHE 84 N 1.30 3.12 0.07 -1.98 0.40 0.32 0.59 117.98 121.80 1puq s PHE 84 Ca 0.04 -0.28 0.03 0.00 -0.60 0.00 0.00 56.93 56.12 1puq s PHE 84 Cb -0.15 -2.27 -0.04 0.00 0.51 0.00 0.00 43.02 41.07 1puq s PHE 84 CO 0.02 -0.30 0.06 -1.58 0.70 0.00 0.00 175.22 174.11 1puq s TRP 85 N 1.63 3.15 -0.06 0.36 0.52 0.51 -1.18 118.94 123.87 1puq s TRP 85 Ca 0.06 0.07 -0.12 0.00 0.02 0.00 0.00 56.10 56.13 1puq s TRP 85 Cb -0.15 -1.62 -0.05 0.00 -1.15 0.00 0.00 33.47 30.50 1puq s TRP 85 CO 0.05 0.51 0.32 -1.17 0.02 0.00 0.00 176.95 176.68 1puq s LEU 86 N -2.24 4.42 0.06 2.99 1.98 0.38 -1.72 118.68 124.55 1puq s LEU 86 Ca 0.27 0.77 0.08 0.00 -2.89 0.00 0.00 54.13 52.36 1puq s LEU 86 Cb -0.12 -2.42 -0.03 0.00 0.66 0.00 0.00 46.19 44.29 1puq s LEU 86 CO 0.19 0.32 -0.22 -0.69 -1.89 0.00 0.00 176.35 174.06 1puq s VAL 87 N -0.84 1.81 -0.07 1.68 1.01 -1.12 -3.14 120.40 119.73 1puq s VAL 87 Ca 0.20 -1.33 0.09 0.00 0.00 0.00 0.00 61.98 60.95 1puq s VAL 87 Cb -0.15 -1.58 -0.13 0.00 0.00 0.00 0.00 36.38 34.52 1puq s VAL 87 CO 0.09 0.19 0.10 1.21 0.00 0.00 0.00 175.10 176.70 1puq n GLU 88 N 1.66 1.74 -3.51 2.72 2.13 -1.10 -3.75 120.64 120.52 1puq n GLU 88 Ca -0.17 -0.03 -0.10 0.00 0.66 0.00 0.00 57.16 57.51 1puq n GLU 88 Cb 0.53 -1.25 -0.02 0.00 0.27 0.00 0.00 31.44 30.98 1puq n GLU 88 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1puq s ARG 89 N -2.39 1.20 -0.25 5.31 6.06 0.51 -4.63 118.95 124.75 1puq s ARG 89 Ca -0.04 -0.49 -0.11 0.00 -2.50 0.00 0.00 55.73 52.59 1puq s ARG 89 Cb 0.04 0.52 0.09 0.00 0.06 0.00 0.00 34.95 35.66 1puq s ARG 89 CO 0.40 -0.53 0.57 1.67 -2.50 0.00 0.00 175.30 174.92 1puq s TRP 90 N -3.56 -1.02 0.35 5.12 -2.14 -1.21 -1.36 118.94 115.12 1puq s TRP 90 Ca 0.04 1.93 -0.27 0.00 2.66 0.00 0.00 56.10 60.46 1puq s TRP 90 Cb -0.02 0.56 -0.09 0.00 -3.10 0.00 0.00 33.47 30.82 1puq s TRP 90 CO -0.09 -0.53 1.12 -1.21 -2.66 0.00 0.00 176.95 173.58 1puq s GLU 91 N 2.20 4.34 3.50 3.25 2.02 -1.21 -4.84 118.70 127.97 1puq s GLU 91 Ca -0.07 1.76 0.00 0.00 0.02 0.00 0.00 54.97 56.68 1puq s GLU 91 Cb -0.09 -2.87 0.00 0.00 0.10 0.00 0.00 34.13 31.26 1puq s GLU 91 CO -0.17 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.48 1puq n GLY 92 N 0.80 1.92 3.64 -1.39 0.00 -1.26 -4.59 105.19 104.30 1puq n GLY 92 Ca 0.02 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 1puq n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1puq s GLU 93 N 0.00 3.10 0.03 1.61 2.12 -1.26 -5.09 118.70 119.21 1puq s GLU 93 Ca 0.00 -0.44 -0.30 0.00 0.36 0.00 0.00 54.97 54.59 1puq s GLU 93 Cb 0.00 -2.81 -0.05 0.00 0.26 0.00 0.00 34.13 31.54 1puq s GLU 93 CO 0.00 0.61 1.18 -2.14 -0.54 0.00 0.00 175.26 174.37 1puq s PRO 94 N -0.63 4.43 0.08 4.30 0.02 -1.26 -4.83 135.00 137.11 1puq s PRO 94 Ca 0.10 1.72 0.00 0.00 0.02 0.00 0.00 61.00 62.84 1puq s PRO 94 Cb -0.12 -3.40 0.00 0.00 0.02 0.00 0.00 34.50 31.00 1puq s PRO 94 CO 0.02 -0.28 0.00 -2.67 -0.33 0.00 0.00 177.00 173.74 1puq n TRP 95 N 4.20 -0.12 0.00 6.54 4.27 -0.23 -4.93 117.44 127.17 1puq n TRP 95 Ca 0.09 0.02 0.00 0.00 -3.89 0.00 0.00 57.50 53.72 1puq n TRP 95 Cb 0.47 0.04 0.00 0.00 -1.36 0.00 0.00 31.31 30.45 1puq n TRP 95 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1puq n GLY 96 N 3.38 0.60 0.00 -1.67 0.00 0.11 -3.78 105.19 103.82 1puq n GLY 96 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.68 1puq n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1puq n LYS 97 N 0.00 0.00 -0.03 1.61 4.81 0.26 -4.68 118.16 120.14 1puq n LYS 97 Ca 0.00 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.35 1puq n LYS 97 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 1puq n LYS 97 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1puq h GLU 98 N 0.00 0.07 0.00 1.64 4.11 -1.74 -3.45 114.58 115.22 1puq h GLU 98 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1puq h GLU 98 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1puq h GLU 98 CO 0.00 0.05 0.00 0.41 0.07 0.00 0.00 179.01 179.54 1puq n GLY 99 N -1.16 1.11 3.13 1.06 0.00 -1.26 -4.97 105.19 103.10 1puq n GLY 99 Ca -0.03 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 1puq n GLY 99 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1puq s GLN 100 N 0.00 2.58 0.41 1.61 -0.21 -1.26 -5.08 119.66 117.71 1puq s GLN 100 Ca 0.00 -1.14 -0.22 0.00 0.02 0.00 0.00 55.36 54.03 1puq s GLN 100 Cb 0.00 -2.91 -0.14 0.00 1.00 0.00 0.00 33.01 30.96 1puq s GLN 100 CO 0.00 -0.46 0.35 -2.30 -2.12 0.00 0.00 175.29 170.76 1puq n PRO 101 N 4.56 0.31 -4.55 2.91 -0.02 -1.26 -4.37 135.00 132.59 1puq n PRO 101 Ca -0.16 0.11 -0.27 0.00 -2.02 0.00 0.00 63.50 61.17 1puq n PRO 101 Cb 0.45 -1.29 -0.08 0.00 -0.02 0.00 0.00 33.50 32.56 1puq n PRO 101 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1puq s GLY 102 N -0.98 2.64 0.19 -1.23 0.00 -1.26 -3.53 107.32 103.15 1puq s GLY 102 Ca 0.62 -1.18 0.09 0.00 0.00 0.00 0.00 44.72 44.25 1puq s GLY 102 CO 0.60 -1.89 -0.18 1.85 0.00 0.00 0.00 173.10 173.48 1puq s GLU 103 N -3.75 1.36 -0.41 2.90 2.56 -1.24 -4.88 118.70 115.24 1puq s GLU 103 Ca 0.22 -1.52 -0.28 0.00 0.00 0.00 0.00 54.97 53.39 1puq s GLU 103 Cb 0.03 -1.37 -0.02 0.00 2.00 0.00 0.00 34.13 34.77 1puq s GLU 103 CO 0.13 0.26 1.87 -1.58 -0.56 0.00 0.00 175.26 175.39 1puq s TRP 104 N -2.35 1.69 0.32 5.30 0.51 -1.26 -3.83 118.94 119.32 1puq s TRP 104 Ca 0.20 0.74 0.10 0.00 -2.12 0.00 0.00 56.10 55.02 1puq s TRP 104 Cb -0.04 -4.07 -0.06 0.00 -0.81 0.00 0.00 33.47 28.49 1puq s TRP 104 CO 0.08 -2.78 -0.13 0.00 -0.51 0.00 0.00 176.95 173.61 1puq s MET 105 N 6.25 1.76 -0.36 4.98 0.23 -0.85 -4.88 119.30 126.43 1puq s MET 105 Ca 0.78 -1.87 -0.26 0.00 -1.03 0.00 0.00 55.69 53.31 1puq s MET 105 Cb -0.20 -1.71 0.01 0.00 -1.53 0.00 0.00 34.83 31.41 1puq s MET 105 CO 0.30 0.20 0.95 0.45 -2.03 0.00 0.00 175.02 174.89 1puq s SER 106 N -3.57 6.72 0.58 -1.18 0.15 -1.26 0.13 113.70 115.28 1puq s SER 106 Ca 0.31 0.67 0.39 0.00 0.70 0.00 0.00 55.95 58.02 1puq s SER 106 Cb -0.00 -2.48 2.09 0.00 -1.71 0.00 0.00 66.02 63.93 1puq s SER 106 CO 0.16 -0.85 2.19 0.25 1.20 0.00 0.00 173.24 176.19 1puq h LEU 107 N 10.05 0.00 0.00 3.45 7.12 -1.86 -1.76 115.31 132.32 1puq h LEU 107 Ca -0.23 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.78 1puq h LEU 107 Cb 1.08 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.21 1puq h LEU 107 CO 0.99 0.00 0.00 0.52 -0.13 0.00 0.00 178.44 179.82 1puq n VAL 108 N -2.89 1.51 -2.69 1.05 0.31 -1.26 -2.56 118.33 111.81 1puq n VAL 108 Ca -0.02 0.38 -0.16 0.00 -0.01 0.00 0.00 64.34 64.53 1puq n VAL 108 Cb 0.08 -1.31 0.01 0.00 -0.91 0.00 0.00 33.84 31.71 1puq n VAL 108 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1puq n GLY 109 N -1.03 3.16 3.74 2.92 0.00 -0.66 -5.03 105.19 108.29 1puq n GLY 109 Ca 0.01 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 43.86 1puq n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1puq s LEU 110 N -3.17 3.60 -0.53 0.99 2.96 -1.06 -4.98 118.68 116.48 1puq s LEU 110 Ca 0.35 2.53 -0.08 0.00 -0.22 0.00 0.00 54.13 56.71 1puq s LEU 110 Cb 0.42 -4.61 0.14 0.00 0.50 0.00 0.00 46.19 42.64 1puq s LEU 110 CO -0.04 -1.87 0.40 0.21 -1.32 0.00 0.00 176.35 173.73 1puq s ASN 111 N -1.49 5.73 0.46 3.68 3.84 -1.26 -4.90 114.94 121.00 1puq s ASN 111 Ca 0.80 -2.16 0.26 0.00 0.21 0.00 0.00 52.86 51.97 1puq s ASN 111 Cb -0.35 -2.00 0.93 0.00 -0.55 0.00 0.00 41.25 39.28 1puq s ASN 111 CO 0.37 -0.62 1.82 0.00 -2.79 0.00 0.00 177.10 175.89 1puq h ALA 112 N 8.12 0.99 0.10 1.71 0.00 -1.94 -2.54 119.26 125.71 1puq h ALA 112 Ca -0.14 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 1puq h ALA 112 Cb 1.05 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.83 1puq h ALA 112 CO 0.82 0.20 -0.70 0.22 0.00 0.00 0.00 179.25 179.79 1puq h ASP 113 N 0.00 0.45 -0.43 0.00 1.82 -1.92 -3.35 116.42 112.98 1puq h ASP 113 Ca -0.00 -0.91 -0.08 0.00 -0.39 0.00 0.00 57.03 55.65 1puq h ASP 113 Cb 0.75 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.60 1puq h ASP 113 CO 0.02 1.32 -0.03 0.44 -1.61 0.00 0.00 179.24 179.38 1puq h ASP 114 N -0.36 0.77 -4.21 2.28 5.19 -1.90 -3.45 116.42 114.75 1puq h ASP 114 Ca -0.12 -0.33 -0.45 0.00 -0.62 0.00 0.00 57.03 55.51 1puq h ASP 114 Cb 1.52 -0.21 0.14 0.00 0.18 0.00 0.00 39.33 40.96 1puq h ASP 114 CO 0.13 0.91 0.38 0.72 -3.12 0.00 0.00 179.24 178.27 1puq s PHE 115 N -4.93 2.07 0.09 4.55 -0.71 -0.96 -3.70 117.98 114.39 1puq s PHE 115 Ca -0.13 0.54 -0.35 0.00 -1.04 0.00 0.00 56.93 55.96 1puq s PHE 115 Cb 0.11 -3.77 -0.14 0.00 -1.21 0.00 0.00 43.02 38.01 1puq s PHE 115 CO 0.81 -2.43 1.61 -0.35 -1.34 0.00 0.00 175.22 173.52 1puq n PRO 116 N -3.70 1.98 -0.03 1.99 -0.04 -1.26 -4.89 135.00 129.06 1puq n PRO 116 Ca 0.12 0.72 -0.07 0.00 -0.04 0.00 0.00 63.50 64.22 1puq n PRO 116 Cb 0.60 -2.48 0.10 0.00 -0.04 0.00 0.00 33.50 31.68 1puq n PRO 116 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1puq h PRO 117 N 6.42 0.61 0.00 0.54 0.13 -1.86 -2.68 132.00 135.16 1puq h PRO 117 Ca -0.46 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.38 1puq h PRO 117 Cb 1.27 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1puq h PRO 117 CO 0.89 0.88 0.00 0.00 -0.23 0.00 0.00 178.00 179.54 1puq n ALA 118 N -2.50 1.75 -1.00 -0.56 0.00 -1.26 -2.12 120.51 114.81 1puq n ALA 118 Ca -0.01 -0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.41 1puq n ALA 118 Cb 0.49 -1.26 0.32 0.00 0.00 0.00 0.00 19.45 19.01 1puq n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1puq n ASN 119 N -1.48 4.76 0.11 0.00 4.13 -1.01 -4.56 115.26 117.20 1puq n ASN 119 Ca 0.04 -3.09 -0.04 0.00 1.68 0.00 0.00 54.58 53.18 1puq n ASN 119 Cb 0.19 -0.66 0.11 0.00 -1.54 0.00 0.00 39.78 37.88 1puq n ASN 119 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1puq h GLU 120 N 2.80 0.11 -1.43 3.52 5.08 -1.51 -3.31 114.58 119.84 1puq h GLU 120 Ca 0.08 -0.08 0.43 0.00 -1.00 0.00 0.00 59.36 58.79 1puq h GLU 120 Cb 1.89 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 31.07 1puq h GLU 120 CO 0.47 0.74 0.99 -1.35 -1.00 0.00 0.00 179.01 178.85 1puq h PRO 121 N 0.07 0.08 0.01 2.33 0.11 -1.85 1.58 132.00 134.33 1puq h PRO 121 Ca -0.01 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1puq h PRO 121 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1puq h PRO 121 CO 0.10 0.05 -0.01 0.28 -0.21 0.00 0.00 178.00 178.21 1puq h VAL 122 N 0.08 1.53 -0.03 3.15 2.07 -1.95 -3.34 116.25 117.76 1puq h VAL 122 Ca 0.76 -1.98 -0.10 0.00 0.82 0.00 0.00 66.70 66.20 1puq h VAL 122 Cb 2.70 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 35.27 1puq h VAL 122 CO -0.20 0.49 -0.45 0.40 0.02 0.00 0.00 177.57 177.84 1puq h ILE 123 N -0.92 1.33 -0.40 4.57 1.08 -0.92 -2.79 117.51 119.46 1puq h ILE 123 Ca -0.00 -1.57 0.12 0.00 -0.39 0.00 0.00 64.86 63.02 1puq h ILE 123 Cb 0.81 1.81 -0.02 0.00 -3.07 0.00 0.00 36.82 36.35 1puq h ILE 123 CO 0.00 0.45 0.35 0.00 -0.69 0.00 0.00 178.15 178.26 1puq h ALA 124 N 1.49 2.20 0.00 1.87 0.00 0.20 1.71 119.26 126.73 1puq h ALA 124 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1puq h ALA 124 Cb 0.82 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1puq h ALA 124 CO 0.06 -0.55 -0.04 0.87 0.00 0.00 0.00 179.25 179.58 1puq h LYS 125 N 0.00 0.00 0.05 0.00 1.79 -1.62 -3.32 116.57 113.46 1puq h LYS 125 Ca 0.19 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.43 1puq h LYS 125 Cb 0.88 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.53 1puq h LYS 125 CO -0.00 0.69 -1.03 1.25 -1.08 0.00 0.00 179.45 179.27 1puq h LEU 126 N -1.00 0.28 -0.81 2.94 7.12 -1.47 -3.30 115.31 119.08 1puq h LEU 126 Ca -0.01 -0.27 0.12 0.00 0.13 0.00 0.00 57.88 57.85 1puq h LEU 126 Cb 0.70 -0.09 -0.08 0.00 -0.53 0.00 0.00 40.66 40.66 1puq h LEU 126 CO -0.01 1.14 0.43 0.50 -0.13 0.00 0.00 178.44 180.37 1puq h LYS 127 N 0.08 0.64 0.00 1.25 3.64 0.24 1.06 116.57 123.48 1puq h LYS 127 Ca -0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1puq h LYS 127 Cb 1.72 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 1puq h LYS 127 CO 0.16 0.42 0.00 -2.13 -2.27 0.00 0.00 179.45 175.63 1puq n ARG 128 N -4.84 0.11 -0.15 1.90 0.63 -1.24 -4.98 116.66 108.09 1puq n ARG 128 Ca 0.15 0.22 0.00 0.00 -0.92 0.00 0.00 57.85 57.30 1puq n ARG 128 Cb 0.36 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.77 1puq n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40