#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 4.76 -0.02 3.17 2.47 0.17 -4.93 119.74 125.36 1puq s LYS 2 Ca 0.00 1.57 -0.00 0.00 -1.56 0.00 0.00 55.97 55.97 1puq s LYS 2 Cb 0.00 -3.28 0.03 0.00 -1.46 0.00 0.00 37.83 33.12 1puq s LYS 2 CO 0.00 0.36 0.04 0.15 0.16 0.00 0.00 175.35 176.05 1puq s LYS 3 N -0.93 -0.04 -0.10 4.03 1.02 -1.26 0.32 119.74 122.77 1puq s LYS 3 Ca 0.44 0.22 -0.05 0.00 0.02 0.00 0.00 55.97 56.60 1puq s LYS 3 Cb -0.27 -0.28 0.05 0.00 -0.52 0.00 0.00 37.83 36.81 1puq s LYS 3 CO 0.34 -0.19 0.23 -0.48 -0.92 0.00 0.00 175.35 174.33 1puq s LEU 4 N 1.22 0.37 0.16 3.17 0.05 0.27 -4.87 118.68 119.05 1puq s LEU 4 Ca -0.07 0.49 0.04 0.00 0.05 0.00 0.00 54.13 54.64 1puq s LEU 4 Cb -0.13 0.67 -0.04 0.00 -2.05 0.00 0.00 46.19 44.64 1puq s LEU 4 CO -0.03 -0.17 0.21 -1.10 -0.55 0.00 0.00 176.35 174.71 1puq s GLN 5 N 1.40 3.18 -0.11 1.48 -0.21 -1.26 -2.10 119.66 122.04 1puq s GLN 5 Ca -0.08 -0.73 -0.06 0.00 0.02 0.00 0.00 55.36 54.52 1puq s GLN 5 Cb -0.11 -2.81 0.05 0.00 1.00 0.00 0.00 33.01 31.14 1puq s GLN 5 CO -0.08 0.50 0.26 0.42 -2.12 0.00 0.00 175.29 174.27 1puq s ILE 6 N -1.75 -0.04 -0.11 1.08 1.09 0.37 -3.26 121.20 118.59 1puq s ILE 6 Ca 0.33 0.14 0.02 0.00 -1.10 0.00 0.00 60.65 60.04 1puq s ILE 6 Cb -0.11 -0.40 0.01 0.00 -1.06 0.00 0.00 42.46 40.91 1puq s ILE 6 CO 0.26 0.06 -0.16 0.00 -0.10 0.00 0.00 174.94 175.00 1puq s ALA 7 N 1.27 1.71 0.09 9.38 0.00 -1.25 -0.51 121.76 132.44 1puq s ALA 7 Ca -0.09 -0.74 -0.01 0.00 0.00 0.00 0.00 51.96 51.11 1puq s ALA 7 Cb -0.10 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 1puq s ALA 7 CO -0.09 -0.06 0.01 0.14 0.00 0.00 0.00 175.76 175.77 1puq s VAL 8 N 0.95 0.17 -0.12 0.00 -7.23 0.30 -2.76 120.40 111.71 1puq s VAL 8 Ca -0.07 -1.83 -0.06 0.00 -1.81 0.00 0.00 61.98 58.21 1puq s VAL 8 Cb -0.15 -1.73 0.05 0.00 0.56 0.00 0.00 36.38 35.11 1puq s VAL 8 CO -0.01 -0.77 0.28 -0.83 -0.31 0.00 0.00 175.10 173.46 1puq s GLY 9 N -2.97 -0.18 -0.35 2.32 0.00 -1.06 0.14 107.32 105.22 1puq s GLY 9 Ca 0.14 1.11 -0.29 0.00 0.00 0.00 0.00 44.72 45.69 1puq s GLY 9 CO -0.05 1.36 1.64 -0.26 0.00 0.00 0.00 173.10 175.78 1puq s ILE 10 N 1.31 3.66 -0.07 0.90 -4.36 -0.96 -4.48 121.20 117.20 1puq s ILE 10 Ca -0.09 0.68 -0.30 0.00 -0.26 0.00 0.00 60.65 60.68 1puq s ILE 10 Cb -0.10 -3.85 -0.04 0.00 1.25 0.00 0.00 42.46 39.71 1puq s ILE 10 CO -0.09 -0.52 1.44 -0.63 0.24 0.00 0.00 174.94 175.37 1puq s ILE 11 N 6.16 3.85 -0.14 8.37 1.01 -1.26 -2.64 121.20 136.55 1puq s ILE 11 Ca 0.72 1.11 -0.27 0.00 0.00 0.00 0.00 60.65 62.22 1puq s ILE 11 Cb -0.20 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.54 1puq s ILE 11 CO 0.33 -0.06 0.89 -0.13 0.00 0.00 0.00 174.94 175.96 1puq s ARG 12 N 3.25 4.34 1.19 2.79 1.81 -1.23 -2.60 118.95 128.49 1puq s ARG 12 Ca 0.64 1.14 -0.19 0.00 -1.72 0.00 0.00 55.73 55.60 1puq s ARG 12 Cb -0.29 -3.56 0.28 0.00 -0.45 0.00 0.00 34.95 30.93 1puq s ARG 12 CO 0.24 -0.31 1.13 1.21 -0.68 0.00 0.00 175.30 176.89 1puq s ASN 13 N 1.12 1.07 0.48 0.23 3.84 0.56 -3.16 114.94 119.08 1puq s ASN 13 Ca 0.42 0.56 0.27 0.00 0.21 0.00 0.00 52.86 54.32 1puq s ASN 13 Cb -0.17 -0.76 1.50 0.00 -0.55 0.00 0.00 41.25 41.27 1puq s ASN 13 CO 0.14 -4.02 1.82 -0.08 -2.79 0.00 0.00 177.10 172.17 1puq h GLU 14 N -2.52 0.00 0.00 0.43 4.81 -1.88 -3.38 114.58 112.04 1puq h GLU 14 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1puq h GLU 14 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1puq h GLU 14 CO 0.33 0.00 0.00 -1.71 -0.73 0.00 0.00 179.01 176.90 1puq n ASN 15 N -2.56 0.00 -0.19 1.04 5.15 -1.26 -5.04 115.26 112.40 1puq n ASN 15 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1puq n ASN 15 Cb 0.18 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.43 1puq n ASN 15 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1puq n ASN 16 N -0.74 0.00 -4.95 1.20 3.02 -1.26 -5.12 115.26 107.41 1puq n ASN 16 Ca 0.00 -1.10 -0.21 0.00 -0.03 0.00 0.00 54.58 53.24 1puq n ASN 16 Cb 0.00 -0.02 -0.02 0.00 -0.61 0.00 0.00 39.78 39.13 1puq n ASN 16 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1puq s GLU 17 N 0.00 3.35 -0.02 3.52 1.03 -1.26 -4.61 118.70 120.71 1puq s GLU 17 Ca 0.00 -0.82 0.03 0.00 0.03 0.00 0.00 54.97 54.21 1puq s GLU 17 Cb 0.00 -2.84 -0.00 0.00 -0.80 0.00 0.00 34.13 30.49 1puq s GLU 17 CO 0.00 0.41 -0.09 0.42 -1.33 0.00 0.00 175.26 174.66 1puq s ILE 18 N -2.01 0.77 -0.28 1.83 1.01 0.36 0.21 121.20 123.09 1puq s ILE 18 Ca 0.34 -0.38 -0.26 0.00 0.00 0.00 0.00 60.65 60.36 1puq s ILE 18 Cb -0.09 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.71 1puq s ILE 18 CO 0.29 0.23 0.91 0.12 0.00 0.00 0.00 174.94 176.49 1puq s PHE 19 N 0.04 3.24 0.00 3.97 2.19 -1.07 -1.56 117.98 124.79 1puq s PHE 19 Ca -0.01 1.11 0.08 0.00 0.33 0.00 0.00 56.93 58.44 1puq s PHE 19 Cb -0.07 -3.29 -0.02 0.00 -1.31 0.00 0.00 43.02 38.33 1puq s PHE 19 CO 0.00 -0.55 -0.24 0.42 1.83 0.00 0.00 175.22 176.68 1puq s ILE 20 N 3.13 1.95 -0.32 3.12 1.01 -1.22 -4.32 121.20 124.55 1puq s ILE 20 Ca 0.38 -1.13 -0.29 0.00 0.00 0.00 0.00 60.65 59.61 1puq s ILE 20 Cb -0.14 -1.63 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 1puq s ILE 20 CO 0.11 0.47 1.61 0.42 0.00 0.00 0.00 174.94 177.55 1puq s THR 21 N -0.64 3.69 -0.03 2.92 -4.23 0.24 -3.99 115.64 113.60 1puq s THR 21 Ca 0.10 0.73 0.00 0.00 -1.18 0.00 0.00 61.69 61.34 1puq s THR 21 Cb -0.09 -3.84 0.03 0.00 1.34 0.00 0.00 72.50 69.93 1puq s THR 21 CO -0.00 -0.47 0.00 0.00 -0.54 0.00 0.00 174.62 173.61 1puq s ARG 22 N 5.09 0.32 -1.04 3.99 1.70 -1.26 0.12 118.95 127.87 1puq s ARG 22 Ca 0.71 0.08 0.00 0.00 -0.47 0.00 0.00 55.73 56.05 1puq s ARG 22 Cb -0.21 -0.50 0.00 0.00 -0.57 0.00 0.00 34.95 33.67 1puq s ARG 22 CO 0.32 -0.14 0.00 0.54 -1.08 0.00 0.00 175.30 174.93 1puq n ARG 23 N 4.18 -1.67 -2.30 3.89 1.74 -1.24 -1.35 116.66 119.90 1puq n ARG 23 Ca -0.26 0.58 -0.07 0.00 -0.77 0.00 0.00 57.85 57.34 1puq n ARG 23 Cb 0.50 -4.93 -0.01 0.00 -1.02 0.00 0.00 32.46 27.00 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 -0.78 -0.78 0.00 7.54 0.00 -1.26 -1.49 120.51 123.74 1puq n ALA 24 Ca -0.11 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1puq n ALA 24 Cb 0.45 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 -2.08 0.00 0.00 0.00 0.00 -0.46 -4.17 120.51 113.81 1puq n ALA 25 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1puq n ALA 25 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1puq n ALA 25 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1puq n ASP 26 N 2.61 0.00 0.00 0.00 8.00 -0.56 -5.11 116.55 121.50 1puq n ASP 26 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1puq n ASP 26 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1puq n ASP 26 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1puq n ALA 27 N 0.00 2.07 0.10 2.24 0.00 -1.16 -5.11 120.51 118.64 1puq n ALA 27 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1puq n ALA 27 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.10 -3.14 -1.74 0.00 -0.00 -1.26 -5.04 115.22 102.93 1puq n HIS 28 Ca 0.00 0.70 -0.19 0.00 0.46 0.00 0.00 57.72 58.69 1puq n HIS 28 Cb 0.00 1.96 -0.09 0.00 -0.12 0.00 0.00 29.99 31.73 1puq n HIS 28 CO 0.00 0.00 0.00 1.41 0.46 0.00 0.00 176.34 178.21 1puq s MET 29 N -2.00 1.62 0.00 1.57 -2.45 -1.26 -4.67 119.30 112.11 1puq s MET 29 Ca 0.00 -0.51 0.23 0.00 -1.25 0.00 0.00 55.69 54.16 1puq s MET 29 Cb 0.00 -5.03 1.05 0.00 1.25 0.00 0.00 34.83 32.10 1puq s MET 29 CO 0.00 -4.91 1.76 0.00 1.05 0.00 0.00 175.02 172.92 1puq n ALA 30 N 17.97 2.10 -0.93 4.11 0.00 -1.26 -3.19 120.51 139.31 1puq n ALA 30 Ca 0.43 -0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.56 1puq n ALA 30 Cb 0.46 -1.38 0.14 0.00 0.00 0.00 0.00 19.45 18.68 1puq n ALA 30 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1puq n ASN 31 N -1.45 4.06 -1.10 0.00 2.85 -1.26 -4.20 115.26 114.16 1puq n ASN 31 Ca 0.07 -3.39 -0.01 0.00 -0.11 0.00 0.00 54.58 51.14 1puq n ASN 31 Cb 0.25 -0.81 0.22 0.00 1.24 0.00 0.00 39.78 40.68 1puq n ASN 31 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1puq n LYS 32 N -0.86 2.20 -0.84 1.20 3.00 -1.19 -4.26 118.16 117.40 1puq n LYS 32 Ca 0.51 -3.05 -0.43 0.00 -0.00 0.00 0.00 58.31 55.34 1puq n LYS 32 Cb 1.40 -1.84 -0.08 0.00 0.00 0.00 0.00 35.03 34.51 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 -0.93 2.66 0.00 3.14 0.00 -1.19 -4.02 117.00 116.65 1puq n LEU 33 Ca 0.30 -2.24 0.00 0.00 0.00 0.00 0.00 56.01 54.07 1puq n LEU 33 Cb 1.01 -0.83 0.00 0.00 0.00 0.00 0.00 43.42 43.60 1puq n LEU 33 CO 0.19 -1.10 0.00 1.21 0.00 0.00 0.00 177.39 177.69 1puq n GLU 34 N 7.40 2.60 -4.54 1.96 2.13 0.33 -4.13 120.64 126.38 1puq n GLU 34 Ca 0.48 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 58.03 1puq n GLU 34 Cb 0.40 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 32.01 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 -0.38 2.50 0.79 4.31 0.40 -1.26 0.80 117.98 125.14 1puq s PHE 35 Ca 0.00 -0.61 -0.12 0.00 -0.60 0.00 0.00 56.93 55.60 1puq s PHE 35 Cb 0.00 -1.69 0.07 0.00 0.51 0.00 0.00 43.02 41.91 1puq s PHE 35 CO 0.00 0.46 1.14 -1.25 0.70 0.00 0.00 175.22 176.27 1puq s PRO 36 N -3.70 2.14 0.00 0.24 0.04 -1.26 -4.50 135.00 127.95 1puq s PRO 36 Ca 0.35 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.70 1puq s PRO 36 Cb 0.07 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.66 1puq s PRO 36 CO 0.18 -1.51 0.00 0.41 0.04 0.00 0.00 177.00 176.12 1puq n GLY 37 N -2.92 0.44 3.69 0.56 0.00 -1.26 -2.57 105.19 103.14 1puq n GLY 37 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1puq n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1puq s GLY 38 N -1.27 1.90 0.00 -0.02 0.00 -1.11 -3.62 107.32 103.20 1puq s GLY 38 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 44.72 45.39 1puq s GLY 38 CO 0.00 1.09 0.00 1.17 0.00 0.00 0.00 173.10 175.36 1puq n LYS 39 N -3.73 0.00 -0.19 2.90 4.81 -1.26 -4.91 118.16 115.78 1puq n LYS 39 Ca 0.12 0.00 0.30 0.00 -0.87 0.00 0.00 58.31 57.86 1puq n LYS 39 Cb 0.51 -1.49 0.73 0.00 0.02 0.00 0.00 35.03 34.80 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 0.45 -0.77 3.15 3.07 -1.76 -1.65 117.51 119.99 1puq h ILE 40 Ca 0.00 0.00 0.10 0.00 1.55 0.00 0.00 64.86 66.51 1puq h ILE 40 Cb 0.00 0.49 -0.12 0.00 -0.27 0.00 0.00 36.82 36.92 1puq h ILE 40 CO 0.00 0.00 -0.48 1.05 -1.05 0.00 0.00 178.15 177.67 1puq h GLU 41 N 0.00 -0.13 0.00 0.16 -0.00 -1.90 -3.31 114.58 109.40 1puq h GLU 41 Ca 0.44 0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.81 1puq h GLU 41 Cb 1.86 0.03 0.00 0.00 -0.00 0.00 0.00 28.75 30.64 1puq h GLU 41 CO -0.00 -0.09 0.00 -1.33 -0.00 0.00 0.00 179.01 177.59 1puq n MET 42 N -5.37 0.00 0.00 1.06 2.81 -0.62 -3.87 117.12 111.13 1puq n MET 42 Ca 0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1puq n MET 42 Cb 0.33 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.84 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 0.00 1.66 3.03 0.00 -1.25 -5.15 105.19 103.48 1puq n GLY 43 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.10 -3.72 1.61 4.71 -1.25 -5.09 120.64 116.99 1puq n GLU 44 Ca 0.00 -1.09 -0.28 0.00 -0.01 0.00 0.00 57.16 55.77 1puq n GLU 44 Cb 0.00 -0.36 -0.03 0.00 -1.01 0.00 0.00 31.44 30.04 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 -1.44 5.22 0.60 2.62 2.01 -1.26 -4.77 115.64 118.62 1puq s THR 45 Ca 0.29 -0.32 0.27 0.00 0.31 0.00 0.00 61.69 62.25 1puq s THR 45 Cb -0.01 -3.71 0.39 0.00 0.01 0.00 0.00 72.50 69.18 1puq s THR 45 CO 0.20 -0.11 1.48 1.55 -0.69 0.00 0.00 174.62 177.05 1puq h PRO 46 N 2.23 0.00 0.00 4.92 0.13 -1.99 1.16 132.00 138.46 1puq h PRO 46 Ca -0.47 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.34 1puq h PRO 46 Cb 1.18 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 1puq h PRO 46 CO 0.69 0.00 -2.18 0.39 -0.23 0.00 0.00 178.00 176.67 1puq n GLU 47 N -3.37 0.52 0.00 0.86 -0.58 -1.26 -4.45 120.64 112.35 1puq n GLU 47 Ca 0.19 0.12 0.15 0.00 -0.42 0.00 0.00 57.16 57.20 1puq n GLU 47 Cb 1.27 -1.41 0.78 0.00 -0.57 0.00 0.00 31.44 31.50 1puq n GLU 47 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1puq n GLN 48 N -3.14 0.52 0.35 3.49 1.13 -0.01 -3.42 117.38 116.30 1puq n GLN 48 Ca -0.37 -0.02 -0.17 0.00 -1.94 0.00 0.00 57.00 54.51 1puq n GLN 48 Cb 0.89 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 29.65 1puq n GLN 48 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1puq h ALA 49 N 3.52 -0.86 0.07 -1.58 0.00 0.11 -0.85 119.26 119.66 1puq h ALA 49 Ca 0.00 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 1puq h ALA 49 Cb 0.25 0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1puq h ALA 49 CO 0.00 -0.93 -0.58 -0.39 0.00 0.00 0.00 179.25 177.35 1puq h VAL 50 N -0.96 1.54 -1.00 0.00 -1.51 -1.82 -2.26 116.25 110.24 1puq h VAL 50 Ca -0.09 -2.33 0.15 0.00 -1.23 0.00 0.00 66.70 63.20 1puq h VAL 50 Cb 0.69 3.04 -0.09 0.00 -2.13 0.00 0.00 31.29 32.80 1puq h VAL 50 CO 0.14 0.65 0.62 0.58 -1.23 0.00 0.00 177.57 178.34 1puq h VAL 51 N -0.42 0.83 0.02 7.19 2.07 -1.65 1.35 116.25 125.64 1puq h VAL 51 Ca -0.09 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 1puq h VAL 51 Cb 1.39 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1puq h VAL 51 CO 0.11 0.16 -0.17 0.03 0.02 0.00 0.00 177.57 177.72 1puq h ARG 52 N 0.88 0.08 0.00 1.57 2.47 -1.24 -3.23 114.38 114.92 1puq h ARG 52 Ca 0.53 -0.11 -0.00 0.00 -1.26 0.00 0.00 59.98 59.13 1puq h ARG 52 Cb 0.67 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 29.03 1puq h ARG 52 CO -0.31 0.97 -0.00 0.93 0.56 0.00 0.00 179.97 182.12 1puq h GLU 53 N -0.74 0.00 -0.57 0.04 4.39 -0.87 -2.62 114.58 114.21 1puq h GLU 53 Ca -0.03 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.68 1puq h GLU 53 Cb 1.04 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.66 1puq h GLU 53 CO 0.03 0.00 0.37 1.25 -1.16 0.00 0.00 179.01 179.51 1puq h LEU 54 N 0.00 0.64 -1.12 1.33 5.85 0.18 1.34 115.31 123.53 1puq h LEU 54 Ca -0.00 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 1puq h LEU 54 Cb 0.24 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1puq h LEU 54 CO 0.00 0.46 -0.07 -0.61 -0.34 0.00 0.00 178.44 177.88 1puq h GLN 55 N 0.76 0.54 0.00 1.25 4.15 -1.58 1.35 115.11 121.58 1puq h GLN 55 Ca 0.21 -0.14 -0.13 0.00 0.77 0.00 0.00 58.65 59.36 1puq h GLN 55 Cb -0.07 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 1puq h GLN 55 CO -0.05 0.62 -0.64 1.49 -1.93 0.00 0.00 178.83 178.31 1puq h GLU 56 N 0.51 0.00 -0.24 1.69 4.22 -1.26 0.21 114.58 119.71 1puq h GLU 56 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.54 1puq h GLU 56 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1puq h GLU 56 CO 0.02 0.64 0.00 0.39 -2.18 0.00 0.00 179.01 177.88 1puq n GLU 57 N -3.40 1.95 0.00 1.92 4.71 0.45 0.23 120.64 126.50 1puq n GLU 57 Ca 0.01 -1.78 0.00 0.00 -0.01 0.00 0.00 57.16 55.37 1puq n GLU 57 Cb 0.74 -1.30 0.00 0.00 -1.01 0.00 0.00 31.44 29.86 1puq n GLU 57 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1puq n VAL 58 N 0.76 0.00 0.00 2.62 0.31 0.46 -4.18 118.33 118.30 1puq n VAL 58 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1puq n VAL 58 Cb 0.41 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 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 1.98 0.56 2.49 2.92 0.00 0.74 0.30 105.19 114.19 1puq n GLY 59 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 0.00 -3.73 -0.61 -5.35 -1.26 -4.87 119.36 103.54 1puq n ILE 60 Ca 0.00 -0.57 -0.36 0.00 -0.27 0.00 0.00 62.75 61.55 1puq n ILE 60 Cb 0.00 -1.55 -0.10 0.00 -1.74 0.00 0.00 39.64 36.25 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 -2.78 3.67 -0.02 7.28 -4.23 -1.26 -4.92 115.64 113.38 1puq s THR 61 Ca 0.49 -3.12 0.01 0.00 -1.18 0.00 0.00 61.69 57.89 1puq s THR 61 Cb -0.02 -3.39 -0.04 0.00 1.34 0.00 0.00 72.50 70.40 1puq s THR 61 CO 0.35 -0.90 -0.00 -2.16 -0.54 0.00 0.00 174.62 171.37 1puq s PRO 62 N -0.26 2.81 -1.24 3.99 0.04 -1.26 -3.03 135.00 136.06 1puq s PRO 62 Ca 0.18 -0.58 -0.20 0.00 0.04 0.00 0.00 61.00 60.44 1puq s PRO 62 Cb -0.19 -2.68 -0.01 0.00 0.04 0.00 0.00 34.50 31.65 1puq s PRO 62 CO -0.04 0.64 1.84 -0.65 0.04 0.00 0.00 177.00 178.83 1puq s GLN 63 N -1.43 3.20 -0.07 4.56 -0.21 -0.33 -4.85 119.66 120.54 1puq s GLN 63 Ca 0.18 -1.57 0.05 0.00 0.02 0.00 0.00 55.36 54.04 1puq s GLN 63 Cb -0.11 -5.38 -0.00 0.00 1.00 0.00 0.00 33.01 28.51 1puq s GLN 63 CO 0.09 -3.17 -0.21 -1.58 -2.12 0.00 0.00 175.29 168.29 1puq s HIS 64 N 7.82 2.16 0.00 0.91 2.46 -1.24 -0.50 115.29 126.90 1puq s HIS 64 Ca 0.62 -0.72 0.00 0.00 0.47 0.00 0.00 55.06 55.42 1puq s HIS 64 Cb 0.02 -1.44 0.00 0.00 -0.13 0.00 0.00 32.58 31.02 1puq s HIS 64 CO 0.11 -0.26 0.00 0.34 -2.47 0.00 0.00 174.74 172.45 1puq n PHE 65 N 3.25 0.00 -1.04 3.88 7.35 -1.25 -4.95 117.46 124.70 1puq n PHE 65 Ca -0.19 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.62 1puq n PHE 65 Cb 0.52 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.32 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 -5.30 -3.69 -2.13 7.64 -1.24 -2.55 113.62 106.35 1puq n SER 66 Ca 0.00 0.57 -0.19 0.00 1.01 0.00 0.00 58.87 60.26 1puq n SER 66 Cb 0.00 -3.33 -0.17 0.00 -1.01 0.00 0.00 64.21 59.69 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 -5.39 0.32 -0.00 -3.43 0.05 -1.26 -0.90 118.68 108.07 1puq s LEU 67 Ca 0.00 0.09 -0.20 0.00 0.05 0.00 0.00 54.13 54.07 1puq s LEU 67 Cb 0.00 -0.09 -0.25 0.00 -2.05 0.00 0.00 46.19 43.80 1puq s LEU 67 CO 0.00 -0.22 1.07 0.15 -0.55 0.00 0.00 176.35 176.79 1puq h PHE 68 N 8.19 0.60 -1.42 3.48 3.04 -1.36 -3.41 116.94 126.06 1puq h PHE 68 Ca -0.19 -0.35 0.13 0.00 3.98 0.00 0.00 57.97 61.54 1puq h PHE 68 Cb 1.12 -0.06 -0.29 0.00 2.56 0.00 0.00 35.95 39.28 1puq h PHE 68 CO 0.48 1.18 0.50 -1.21 -2.02 0.00 0.00 178.31 177.24 1puq s GLU 69 N -3.08 0.31 -0.29 1.11 2.02 -0.67 -5.02 118.70 113.08 1puq s GLU 69 Ca -0.13 0.49 -0.01 0.00 0.02 0.00 0.00 54.97 55.34 1puq s GLU 69 Cb 0.03 0.08 0.05 0.00 0.10 0.00 0.00 34.13 34.39 1puq s GLU 69 CO 0.82 -0.06 -0.02 -1.59 0.02 0.00 0.00 175.26 174.44 1puq s LYS 70 N 1.06 2.40 -0.26 1.61 -2.85 -1.26 -0.63 119.74 119.81 1puq s LYS 70 Ca -0.06 -1.28 -0.14 0.00 -1.00 0.00 0.00 55.97 53.49 1puq s LYS 70 Cb -0.04 -3.13 -0.04 0.00 -2.06 0.00 0.00 37.83 32.56 1puq s LYS 70 CO -0.13 -0.61 0.31 -1.17 0.10 0.00 0.00 175.35 173.85 1puq s LEU 71 N 1.23 4.06 -0.25 2.77 2.96 0.28 -4.94 118.68 124.79 1puq s LEU 71 Ca -0.06 0.25 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 1puq s LEU 71 Cb -0.20 -2.34 0.06 0.00 0.50 0.00 0.00 46.19 44.21 1puq s LEU 71 CO -0.02 -0.11 -0.07 -0.70 -1.32 0.00 0.00 176.35 174.13 1puq s GLU 72 N 1.75 1.88 0.02 1.98 2.12 -1.26 0.23 118.70 125.41 1puq s GLU 72 Ca 0.13 -1.17 -0.02 0.00 0.36 0.00 0.00 54.97 54.27 1puq s GLU 72 Cb -0.15 -2.73 -0.01 0.00 0.26 0.00 0.00 34.13 31.49 1puq s GLU 72 CO 0.09 -0.60 0.02 1.52 -0.54 0.00 0.00 175.26 175.75 1puq s TYR 73 N 1.26 0.20 -0.10 5.30 1.13 -1.20 -5.02 117.35 118.91 1puq s TYR 73 Ca -0.07 -0.42 0.03 0.00 -1.41 0.00 0.00 57.07 55.21 1puq s TYR 73 Cb -0.19 -0.15 0.00 0.00 -1.10 0.00 0.00 41.96 40.52 1puq s TYR 73 CO -0.06 -0.21 -0.22 -1.83 -2.51 0.00 0.00 175.55 170.72 1puq s GLU 74 N -1.42 2.85 0.38 -3.49 -1.05 -1.26 -2.38 118.70 112.33 1puq s GLU 74 Ca -0.15 -0.81 0.02 0.00 -0.15 0.00 0.00 54.97 53.88 1puq s GLU 74 Cb -0.09 -2.20 -0.01 0.00 -0.44 0.00 0.00 34.13 31.38 1puq s GLU 74 CO -0.00 0.12 0.57 -0.06 0.95 0.00 0.00 175.26 176.84 1puq s PHE 75 N 0.48 3.28 -0.75 4.83 0.08 0.31 -4.92 117.98 121.28 1puq s PHE 75 Ca -0.16 0.13 -0.18 0.00 0.12 0.00 0.00 56.93 56.83 1puq s PHE 75 Cb -0.17 -2.08 -0.17 0.00 -0.57 0.00 0.00 43.02 40.03 1puq s PHE 75 CO 0.06 -0.10 1.89 -0.35 -0.10 0.00 0.00 175.22 176.62 1puq n PRO 76 N -1.85 0.14 -0.37 0.24 -0.04 -1.26 0.21 135.00 132.06 1puq n PRO 76 Ca -0.01 -0.99 0.00 0.00 -0.04 0.00 0.00 63.50 62.46 1puq n PRO 76 Cb 0.57 -2.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 1puq n PRO 76 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1puq n ASP 77 N 14.67 -0.98 -3.56 3.54 2.03 -1.26 -4.98 116.55 126.01 1puq n ASP 77 Ca 0.34 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.36 1puq n ASP 77 Cb 0.44 -0.16 -0.13 0.00 -0.72 0.00 0.00 41.12 40.55 1puq n ASP 77 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1puq s ARG 78 N -0.63 0.59 -0.84 -0.67 3.52 0.13 0.46 118.95 121.51 1puq s ARG 78 Ca 0.00 -1.20 -0.21 0.00 -0.13 0.00 0.00 55.73 54.19 1puq s ARG 78 Cb 0.00 -1.52 0.09 0.00 -1.56 0.00 0.00 34.95 31.96 1puq s ARG 78 CO 0.00 -1.12 1.14 -1.58 -0.81 0.00 0.00 175.30 172.92 1puq s HIS 79 N 1.30 2.82 -0.38 5.12 2.46 0.15 0.11 115.29 126.87 1puq s HIS 79 Ca 0.15 -0.93 -0.13 0.00 0.47 0.00 0.00 55.06 54.61 1puq s HIS 79 Cb -0.21 -4.38 0.01 0.00 -0.13 0.00 0.00 32.58 27.87 1puq s HIS 79 CO -0.12 -1.66 0.25 -1.50 -2.47 0.00 0.00 174.74 169.25 1puq s ILE 80 N 3.72 5.08 -0.28 0.89 1.10 -1.00 0.96 121.20 131.68 1puq s ILE 80 Ca 0.32 -0.56 -0.09 0.00 -0.51 0.00 0.00 60.65 59.80 1puq s ILE 80 Cb -0.08 -3.75 -0.03 0.00 0.15 0.00 0.00 42.46 38.75 1puq s ILE 80 CO -0.01 -0.18 0.13 -0.89 -2.11 0.00 0.00 174.94 171.87 1puq s THR 81 N 1.66 4.69 -0.25 4.00 2.01 -0.89 -3.23 115.64 123.63 1puq s THR 81 Ca 0.05 -0.14 -0.01 0.00 0.31 0.00 0.00 61.69 61.90 1puq s THR 81 Cb -0.18 -3.26 0.03 0.00 0.01 0.00 0.00 72.50 69.10 1puq s THR 81 CO 0.09 0.24 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.43 1puq s LEU 82 N 1.66 3.22 -0.22 4.42 2.01 0.14 0.14 118.68 130.04 1puq s LEU 82 Ca 0.06 -0.98 -0.05 0.00 0.01 0.00 0.00 54.13 53.16 1puq s LEU 82 Cb -0.16 -1.63 -0.02 0.00 0.01 0.00 0.00 46.19 44.38 1puq s LEU 82 CO 0.07 -0.14 0.01 0.26 1.01 0.00 0.00 176.35 177.55 1puq s TRP 83 N 1.28 3.04 -0.33 0.29 0.52 0.33 0.10 118.94 124.17 1puq s TRP 83 Ca -0.01 -0.54 -0.07 0.00 0.02 0.00 0.00 56.10 55.50 1puq s TRP 83 Cb -0.17 -2.13 0.03 0.00 -1.15 0.00 0.00 33.47 30.05 1puq s TRP 83 CO -0.05 -0.33 0.10 -0.06 0.02 0.00 0.00 176.95 176.63 1puq s PHE 84 N 1.26 3.22 0.14 -1.98 0.40 0.20 0.11 117.98 121.33 1puq s PHE 84 Ca 0.04 -1.25 -0.07 0.00 -0.60 0.00 0.00 56.93 55.05 1puq s PHE 84 Cb -0.15 -2.28 -0.06 0.00 0.51 0.00 0.00 43.02 41.05 1puq s PHE 84 CO 0.01 -0.68 0.41 -1.58 0.70 0.00 0.00 175.22 174.08 1puq s TRP 85 N 1.44 3.49 -0.53 0.36 0.52 0.36 -1.17 118.94 123.42 1puq s TRP 85 Ca -0.00 0.65 -0.17 0.00 0.02 0.00 0.00 56.10 56.60 1puq s TRP 85 Cb -0.19 -2.08 0.10 0.00 -1.15 0.00 0.00 33.47 30.15 1puq s TRP 85 CO 0.03 0.43 0.53 -1.17 0.02 0.00 0.00 176.95 176.79 1puq s LEU 86 N -2.52 5.65 0.25 2.99 2.96 -0.08 -2.26 118.68 125.68 1puq s LEU 86 Ca 0.40 -1.43 -0.19 0.00 -0.22 0.00 0.00 54.13 52.69 1puq s LEU 86 Cb -0.12 -2.26 -0.08 0.00 0.50 0.00 0.00 46.19 44.22 1puq s LEU 86 CO 0.23 -0.86 0.74 -0.69 -1.32 0.00 0.00 176.35 174.44 1puq s VAL 87 N 2.01 4.58 -0.03 1.68 1.01 -1.08 -3.66 120.40 124.91 1puq s VAL 87 Ca 0.07 1.23 0.05 0.00 0.00 0.00 0.00 61.98 63.33 1puq s VAL 87 Cb -0.25 -3.81 -0.08 0.00 0.00 0.00 0.00 36.38 32.24 1puq s VAL 87 CO 0.06 0.11 0.08 -1.84 0.00 0.00 0.00 175.10 173.52 1puq n GLU 88 N 0.47 1.39 -3.48 2.72 0.28 -1.13 -3.56 120.64 117.33 1puq n GLU 88 Ca -0.01 -0.03 -0.10 0.00 -0.16 0.00 0.00 57.16 56.86 1puq n GLU 88 Cb 0.51 -1.14 -0.02 0.00 1.43 0.00 0.00 31.44 32.23 1puq n GLU 88 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1puq s ARG 89 N -2.29 1.15 -0.19 3.44 6.06 0.34 -4.54 118.95 122.93 1puq s ARG 89 Ca -0.02 -0.44 -0.08 0.00 -2.50 0.00 0.00 55.73 52.68 1puq s ARG 89 Cb 0.03 0.51 0.07 0.00 0.06 0.00 0.00 34.95 35.63 1puq s ARG 89 CO 0.23 -0.50 0.42 1.67 -2.50 0.00 0.00 175.30 174.62 1puq s TRP 90 N -3.53 -0.71 0.33 5.12 -2.14 -1.20 -1.18 118.94 115.62 1puq s TRP 90 Ca 0.03 1.42 -0.28 0.00 2.66 0.00 0.00 56.10 59.94 1puq s TRP 90 Cb -0.01 0.29 -0.09 0.00 -3.10 0.00 0.00 33.47 30.56 1puq s TRP 90 CO -0.10 -0.41 1.13 -2.00 -2.66 0.00 0.00 176.95 172.90 1puq s GLU 91 N 1.97 4.41 6.19 3.25 2.12 -1.17 -4.75 118.70 130.72 1puq s GLU 91 Ca -0.06 1.81 0.00 0.00 0.36 0.00 0.00 54.97 57.08 1puq s GLU 91 Cb -0.10 -2.96 0.00 0.00 0.26 0.00 0.00 34.13 31.33 1puq s GLU 91 CO -0.13 -0.00 0.00 0.41 -0.54 0.00 0.00 175.26 175.00 1puq n GLY 92 N 0.89 3.67 3.08 -1.50 0.00 -1.26 -4.57 105.19 105.50 1puq n GLY 92 Ca 0.01 0.22 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 1puq n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1puq s GLU 93 N 0.00 0.82 0.01 1.61 2.02 -1.26 -5.09 118.70 116.81 1puq s GLU 93 Ca 0.00 -0.53 -0.30 0.00 0.02 0.00 0.00 54.97 54.16 1puq s GLU 93 Cb 0.00 -0.79 -0.04 0.00 0.10 0.00 0.00 34.13 33.40 1puq s GLU 93 CO 0.00 0.21 1.13 -2.14 0.02 0.00 0.00 175.26 174.48 1puq s PRO 94 N -0.66 4.45 0.17 0.39 0.02 -1.26 -4.64 135.00 133.47 1puq s PRO 94 Ca 0.02 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.67 1puq s PRO 94 Cb -0.06 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 31.03 1puq s PRO 94 CO 0.00 -0.24 0.00 -2.67 -0.33 0.00 0.00 177.00 173.76 1puq n TRP 95 N 4.24 -1.27 0.00 6.54 4.27 0.74 -4.89 117.44 127.07 1puq n TRP 95 Ca 0.09 0.22 0.00 0.00 -3.89 0.00 0.00 57.50 53.92 1puq n TRP 95 Cb 0.48 0.35 0.00 0.00 -1.36 0.00 0.00 31.31 30.78 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 2.29 0.84 0.00 -1.67 0.00 0.15 -3.75 105.19 103.05 1puq n GLY 96 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.77 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 -0.31 1.61 3.00 0.62 -4.72 118.16 118.37 1puq n LYS 97 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 58.31 58.49 1puq n LYS 97 Cb 0.00 0.00 0.43 0.00 0.00 0.00 0.00 35.03 35.46 1puq n LYS 97 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1puq h GLU 98 N 0.00 0.53 0.00 1.64 4.11 -1.71 -3.46 114.58 115.69 1puq h GLU 98 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1puq h GLU 98 Cb 0.00 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1puq h GLU 98 CO 0.00 0.35 0.00 0.41 0.07 0.00 0.00 179.01 179.84 1puq n GLY 99 N -1.43 1.30 2.79 1.06 0.00 -1.26 -4.99 105.19 102.66 1puq n GLY 99 Ca 0.23 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1puq n GLY 99 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1puq s GLN 100 N 0.00 1.04 0.41 1.61 0.00 -1.26 -5.00 119.66 116.46 1puq s GLN 100 Ca 0.00 -1.51 -0.22 0.00 -0.00 0.00 0.00 55.36 53.63 1puq s GLN 100 Cb 0.00 -2.35 -0.14 0.00 0.00 0.00 0.00 33.01 30.53 1puq s GLN 100 CO 0.00 -1.03 0.35 -2.30 0.00 0.00 0.00 175.29 172.32 1puq n PRO 101 N 4.36 0.31 -4.41 9.60 -0.02 -1.26 -4.44 135.00 139.14 1puq n PRO 101 Ca 0.02 0.11 -0.22 0.00 -2.02 0.00 0.00 63.50 61.39 1puq n PRO 101 Cb 0.40 -1.29 -0.08 0.00 -0.02 0.00 0.00 33.50 32.51 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 2.38 0.14 -1.23 0.00 -1.26 -2.31 107.32 104.05 1puq s GLY 102 Ca 0.62 -1.60 0.06 0.00 0.00 0.00 0.00 44.72 43.80 1puq s GLY 102 CO 0.60 -1.67 -0.13 1.85 0.00 0.00 0.00 173.10 173.75 1puq s GLU 103 N -3.68 1.08 -0.47 2.90 -6.30 -1.26 -4.94 118.70 106.03 1puq s GLU 103 Ca 0.31 -1.37 -0.28 0.00 -2.50 0.00 0.00 54.97 51.14 1puq s GLU 103 Cb 0.03 -0.83 -0.01 0.00 0.00 0.00 0.00 34.13 33.33 1puq s GLU 103 CO 0.19 0.14 1.71 -1.58 0.02 0.00 0.00 175.26 175.73 1puq s TRP 104 N -2.70 1.91 0.31 5.30 0.51 -1.26 -3.40 118.94 119.62 1puq s TRP 104 Ca 0.14 0.67 0.10 0.00 -2.12 0.00 0.00 56.10 54.88 1puq s TRP 104 Cb -0.02 -4.18 -0.06 0.00 -0.81 0.00 0.00 33.47 28.41 1puq s TRP 104 CO 0.03 -2.46 -0.12 0.00 -0.51 0.00 0.00 176.95 173.88 1puq s MET 105 N 6.00 1.74 -0.27 4.98 0.23 -0.60 -4.86 119.30 126.51 1puq s MET 105 Ca 0.69 -1.86 -0.29 0.00 -1.03 0.00 0.00 55.69 53.20 1puq s MET 105 Cb -0.16 -1.66 -0.01 0.00 -1.53 0.00 0.00 34.83 31.47 1puq s MET 105 CO 0.28 0.19 1.40 0.45 -2.03 0.00 0.00 175.02 175.31 1puq s SER 106 N -3.56 6.57 0.48 -1.18 0.15 -1.26 0.13 113.70 115.04 1puq s SER 106 Ca 0.31 1.34 0.31 0.00 0.70 0.00 0.00 55.95 58.61 1puq s SER 106 Cb 0.00 -2.54 1.25 0.00 -1.71 0.00 0.00 66.02 63.02 1puq s SER 106 CO 0.15 -1.14 1.91 0.25 1.20 0.00 0.00 173.24 175.61 1puq h LEU 107 N 11.15 0.00 -0.65 3.45 7.12 -1.81 -2.98 115.31 131.60 1puq h LEU 107 Ca -0.29 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.72 1puq h LEU 107 Cb 1.12 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.25 1puq h LEU 107 CO 1.02 0.00 0.03 0.52 -0.13 0.00 0.00 178.44 179.89 1puq n VAL 108 N -2.88 1.46 -2.80 1.05 0.31 -1.26 -2.43 118.33 111.78 1puq n VAL 108 Ca 0.01 0.61 -0.14 0.00 -0.01 0.00 0.00 64.34 64.82 1puq n VAL 108 Cb 0.29 -1.61 0.01 0.00 -0.91 0.00 0.00 33.84 31.62 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 -1.39 2.63 3.74 2.92 0.00 -1.12 -4.98 105.19 106.99 1puq n GLY 109 Ca -0.01 -1.59 -0.36 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.98 3.58 -0.63 0.99 0.20 -1.02 -4.96 118.68 113.86 1puq s LEU 110 Ca 0.33 2.52 -0.17 0.00 0.69 0.00 0.00 54.13 57.50 1puq s LEU 110 Cb 0.42 -4.61 0.13 0.00 -0.43 0.00 0.00 46.19 41.70 1puq s LEU 110 CO -0.02 -1.89 0.67 0.21 -0.29 0.00 0.00 176.35 175.03 1puq s ASN 111 N -1.53 6.31 0.52 3.68 3.84 -1.26 -4.87 114.94 121.63 1puq s ASN 111 Ca 0.80 -1.80 0.31 0.00 0.21 0.00 0.00 52.86 52.38 1puq s ASN 111 Cb -0.34 -2.26 1.11 0.00 -0.55 0.00 0.00 41.25 39.21 1puq s ASN 111 CO 0.38 -0.94 1.89 0.00 -2.79 0.00 0.00 177.10 175.64 1puq h ALA 112 N 8.84 1.00 0.09 1.71 0.00 -1.93 -2.53 119.26 126.44 1puq h ALA 112 Ca -0.20 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.54 1puq h ALA 112 Cb 1.08 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.88 1puq h ALA 112 CO 1.03 0.03 -0.63 0.22 0.00 0.00 0.00 179.25 179.89 1puq h ASP 113 N 0.00 0.40 -0.55 0.00 1.82 -1.92 -3.35 116.42 112.82 1puq h ASP 113 Ca -0.00 -0.92 -0.10 0.00 -0.39 0.00 0.00 57.03 55.62 1puq h ASP 113 Cb 0.64 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.50 1puq h ASP 113 CO 0.00 1.29 -0.05 0.44 -1.61 0.00 0.00 179.24 179.31 1puq h ASP 114 N -0.43 1.00 -4.20 2.28 3.32 -1.90 -3.45 116.42 113.03 1puq h ASP 114 Ca -0.11 -0.33 -0.45 0.00 0.02 0.00 0.00 57.03 56.16 1puq h ASP 114 Cb 1.47 -0.27 0.14 0.00 0.22 0.00 0.00 39.33 40.89 1puq h ASP 114 CO 0.12 1.09 0.38 0.72 -1.72 0.00 0.00 179.24 179.82 1puq s PHE 115 N -4.93 2.07 0.09 4.55 -0.71 -0.96 -3.89 117.98 114.20 1puq s PHE 115 Ca -0.12 0.55 -0.35 0.00 -1.04 0.00 0.00 56.93 55.98 1puq s PHE 115 Cb 0.13 -3.76 -0.14 0.00 -1.21 0.00 0.00 43.02 38.04 1puq s PHE 115 CO 0.85 -2.43 1.61 -0.35 -1.34 0.00 0.00 175.22 173.56 1puq n PRO 116 N -3.71 1.98 0.01 1.99 -0.04 -1.26 -4.89 135.00 129.08 1puq n PRO 116 Ca 0.11 0.72 -0.06 0.00 -0.04 0.00 0.00 63.50 64.23 1puq n PRO 116 Cb 0.60 -2.48 0.13 0.00 -0.04 0.00 0.00 33.50 31.71 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 6.40 0.52 0.00 0.54 0.13 -1.86 -2.65 132.00 135.08 1puq h PRO 117 Ca -0.46 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 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 0.81 0.00 0.00 -0.23 0.00 0.00 178.00 179.47 1puq n ALA 118 N -2.50 1.87 -0.93 -0.56 0.00 -1.26 -2.23 120.51 114.90 1puq n ALA 118 Ca -0.01 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.44 1puq n ALA 118 Cb 0.49 -1.30 0.35 0.00 0.00 0.00 0.00 19.45 18.99 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 5.05 0.11 0.00 3.02 -1.00 -4.55 115.26 116.42 1puq n ASN 119 Ca 0.05 -2.95 -0.04 0.00 -0.03 0.00 0.00 54.58 51.61 1puq n ASN 119 Cb 0.21 -0.63 0.06 0.00 -0.61 0.00 0.00 39.78 38.81 1puq n ASN 119 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1puq h GLU 120 N 3.21 0.04 -1.24 3.52 4.81 -1.52 -3.34 114.58 120.07 1puq h GLU 120 Ca 0.00 -0.04 0.40 0.00 -0.13 0.00 0.00 59.36 59.59 1puq h GLU 120 Cb 1.77 0.01 -0.13 0.00 0.63 0.00 0.00 28.75 31.04 1puq h GLU 120 CO 0.39 0.78 0.79 -1.35 -0.73 0.00 0.00 179.01 178.89 1puq h PRO 121 N 0.03 0.14 0.00 0.92 0.11 -1.84 1.59 132.00 132.94 1puq h PRO 121 Ca -0.01 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1puq h PRO 121 Cb 1.34 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1puq h PRO 121 CO 0.10 0.09 -0.00 0.28 -0.21 0.00 0.00 178.00 178.26 1puq h VAL 122 N 0.14 1.67 -0.29 3.15 2.07 -1.95 -3.33 116.25 117.71 1puq h VAL 122 Ca 0.78 -2.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.19 1puq h VAL 122 Cb 2.34 3.06 -0.02 0.00 -1.52 0.00 0.00 31.29 35.15 1puq h VAL 122 CO -0.43 0.53 -0.04 0.40 0.02 0.00 0.00 177.57 178.05 1puq h ILE 123 N -0.89 1.19 -0.38 4.57 1.08 -0.95 -2.21 117.51 119.91 1puq h ILE 123 Ca -0.00 -0.80 0.11 0.00 -0.39 0.00 0.00 64.86 63.78 1puq h ILE 123 Cb 0.87 1.02 -0.02 0.00 -3.07 0.00 0.00 36.82 35.63 1puq h ILE 123 CO 0.00 0.27 0.34 0.00 -0.69 0.00 0.00 178.15 178.07 1puq h ALA 124 N 1.53 2.18 0.00 1.87 0.00 0.20 1.62 119.26 126.67 1puq h ALA 124 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1puq h ALA 124 Cb 0.35 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1puq h ALA 124 CO 0.01 -0.54 -0.02 -0.22 0.00 0.00 0.00 179.25 178.49 1puq h LYS 125 N 0.00 0.00 0.14 0.00 1.63 -1.52 -3.27 116.57 113.55 1puq h LYS 125 Ca 0.18 0.00 -0.31 0.00 -0.85 0.00 0.00 60.65 59.68 1puq h LYS 125 Cb 0.86 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 32.52 1puq h LYS 125 CO -0.00 0.93 -1.28 1.25 -3.45 0.00 0.00 179.45 176.90 1puq h LEU 126 N -1.00 0.88 -0.83 5.20 7.12 -1.35 -3.31 115.31 122.02 1puq h LEU 126 Ca -0.00 -0.84 0.13 0.00 0.13 0.00 0.00 57.88 57.30 1puq h LEU 126 Cb 0.93 -0.28 -0.09 0.00 -0.53 0.00 0.00 40.66 40.70 1puq h LEU 126 CO -0.00 1.63 0.43 0.50 -0.13 0.00 0.00 178.44 180.87 1puq h LYS 127 N 0.26 0.64 0.00 1.25 3.64 0.22 0.97 116.57 123.55 1puq h LYS 127 Ca -0.20 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1puq h LYS 127 Cb 1.95 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.63 1puq h LYS 127 CO 0.24 0.42 0.00 -2.13 -2.27 0.00 0.00 179.45 175.72 1puq n ARG 128 N -4.84 0.09 -0.26 1.90 0.63 -1.23 -4.97 116.66 107.98 1puq n ARG 128 Ca 0.15 0.24 0.00 0.00 -0.92 0.00 0.00 57.85 57.32 1puq n ARG 128 Cb 0.38 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.79 1puq n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40