#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pus s LYS 2 N 0.00 2.52 0.05 0.03 -2.85 0.27 -5.03 119.74 114.74 1pus s LYS 2 Ca 0.00 -0.79 0.04 0.00 -1.00 0.00 0.00 55.97 54.22 1pus s LYS 2 Cb 0.00 -2.51 -0.03 0.00 -2.06 0.00 0.00 37.83 33.23 1pus s LYS 2 CO 0.00 0.57 -0.12 0.15 0.10 0.00 0.00 175.35 176.05 1pus s LYS 3 N -1.85 0.72 -0.09 1.78 1.02 -1.26 -0.09 119.74 119.96 1pus s LYS 3 Ca 0.21 -0.83 -0.06 0.00 0.02 0.00 0.00 55.97 55.31 1pus s LYS 3 Cb -0.11 -0.65 0.04 0.00 -0.52 0.00 0.00 37.83 36.58 1pus s LYS 3 CO 0.12 0.14 0.23 -0.48 -0.92 0.00 0.00 175.35 174.45 1pus s LEU 4 N -1.54 0.63 0.13 3.17 0.05 0.49 -4.87 118.68 116.74 1pus s LEU 4 Ca -0.04 0.48 0.03 0.00 0.05 0.00 0.00 54.13 54.65 1pus s LEU 4 Cb -0.09 0.69 -0.04 0.00 -2.05 0.00 0.00 46.19 44.70 1pus s LEU 4 CO 0.01 -0.14 0.19 -1.10 -0.55 0.00 0.00 176.35 174.77 1pus s GLN 5 N 0.97 3.17 -0.10 1.48 -0.21 -1.26 -1.27 119.66 122.44 1pus s GLN 5 Ca -0.07 -0.69 -0.05 0.00 0.02 0.00 0.00 55.36 54.57 1pus s GLN 5 Cb -0.08 -2.83 0.05 0.00 1.00 0.00 0.00 33.01 31.14 1pus s GLN 5 CO -0.06 0.53 0.24 0.42 -2.12 0.00 0.00 175.29 174.30 1pus s ILE 6 N -1.67 -0.04 -0.12 1.08 -1.09 0.51 -3.62 121.20 116.25 1pus s ILE 6 Ca 0.33 0.15 0.01 0.00 -2.23 0.00 0.00 60.65 58.91 1pus s ILE 6 Cb -0.11 -0.38 0.02 0.00 -1.58 0.00 0.00 42.46 40.41 1pus s ILE 6 CO 0.26 0.06 -0.15 0.00 -1.23 0.00 0.00 174.94 173.87 1pus s ALA 7 N 1.24 1.76 0.31 9.38 0.00 -1.02 0.81 121.76 134.24 1pus s ALA 7 Ca -0.09 -0.79 0.11 0.00 0.00 0.00 0.00 51.96 51.19 1pus s ALA 7 Cb -0.10 -0.89 -0.06 0.00 0.00 0.00 0.00 23.12 22.07 1pus s ALA 7 CO -0.08 -0.14 -0.15 0.14 0.00 0.00 0.00 175.76 175.52 1pus s VAL 8 N 1.09 2.37 -0.22 0.00 -7.23 0.24 -3.81 120.40 112.84 1pus s VAL 8 Ca -0.04 -2.32 -0.03 0.00 -1.81 0.00 0.00 61.98 57.78 1pus s VAL 8 Cb -0.14 -2.46 0.11 0.00 0.56 0.00 0.00 36.38 34.45 1pus s VAL 8 CO -0.04 -0.31 0.27 -0.83 -0.31 0.00 0.00 175.10 173.88 1pus s GLY 9 N -3.55 -0.12 -0.64 2.32 0.00 -1.13 0.13 107.32 104.33 1pus s GLY 9 Ca 0.31 0.40 -0.26 0.00 0.00 0.00 0.00 44.72 45.16 1pus s GLY 9 CO 0.16 2.32 1.83 -1.50 0.00 0.00 0.00 173.10 175.91 1pus s ILE 10 N 2.39 3.38 -0.12 0.90 1.10 -0.82 -4.60 121.20 123.43 1pus s ILE 10 Ca 0.09 0.18 -0.29 0.00 -0.51 0.00 0.00 60.65 60.11 1pus s ILE 10 Cb -0.16 -4.01 -0.03 0.00 0.15 0.00 0.00 42.46 38.41 1pus s ILE 10 CO -0.14 -0.98 1.46 0.27 -2.11 0.00 0.00 174.94 173.44 1pus s ILE 11 N 8.91 3.93 -0.15 2.00 -4.36 -1.26 -2.66 121.20 127.62 1pus s ILE 11 Ca 0.65 1.13 -0.27 0.00 -0.26 0.00 0.00 60.65 61.90 1pus s ILE 11 Cb -0.12 -3.74 -0.01 0.00 1.25 0.00 0.00 42.46 39.84 1pus s ILE 11 CO 0.19 -0.11 0.91 -0.13 0.24 0.00 0.00 174.94 176.04 1pus s ARG 12 N 3.80 4.34 1.20 0.37 1.81 -1.23 -3.56 118.95 125.68 1pus s ARG 12 Ca 0.64 1.17 -0.19 0.00 -1.72 0.00 0.00 55.73 55.63 1pus s ARG 12 Cb -0.27 -3.57 0.29 0.00 -0.45 0.00 0.00 34.95 30.95 1pus s ARG 12 CO 0.22 -0.35 1.11 1.21 -0.68 0.00 0.00 175.30 176.81 1pus s ASN 13 N 1.13 0.92 0.67 0.23 3.84 0.56 -3.09 114.94 119.20 1pus s ASN 13 Ca 0.42 0.65 0.33 0.00 0.21 0.00 0.00 52.86 54.47 1pus s ASN 13 Cb -0.17 -0.90 1.78 0.00 -0.55 0.00 0.00 41.25 41.41 1pus s ASN 13 CO 0.14 -4.12 2.01 -0.08 -2.79 0.00 0.00 177.10 172.25 1pus h GLU 14 N -2.58 0.00 0.00 0.43 4.22 -1.89 -3.37 114.58 111.39 1pus h GLU 14 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.99 1pus h GLU 14 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1pus h GLU 14 CO 0.35 0.00 0.00 -1.71 -2.18 0.00 0.00 179.01 175.47 1pus n ASN 15 N -2.94 0.00 -0.20 1.04 5.15 -1.26 -5.04 115.26 112.01 1pus n ASN 15 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 1pus n ASN 15 Cb 0.32 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.57 1pus n ASN 15 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1pus n ASN 16 N -0.76 0.00 -4.95 1.20 4.13 -1.26 -5.13 115.26 108.49 1pus n ASN 16 Ca 0.00 -1.08 -0.21 0.00 1.68 0.00 0.00 54.58 54.97 1pus n ASN 16 Cb 0.00 -0.02 -0.02 0.00 -1.54 0.00 0.00 39.78 38.20 1pus n ASN 16 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 1pus s GLU 17 N 0.00 3.35 0.00 3.52 -1.05 -1.26 -3.96 118.70 119.30 1pus s GLU 17 Ca 0.00 -0.81 0.01 0.00 -0.15 0.00 0.00 54.97 54.02 1pus s GLU 17 Cb 0.00 -2.84 -0.00 0.00 -0.44 0.00 0.00 34.13 30.85 1pus s GLU 17 CO 0.00 0.42 -0.02 0.42 0.95 0.00 0.00 175.26 177.02 1pus s ILE 18 N -2.01 0.19 -0.39 1.83 1.01 0.31 0.21 121.20 122.34 1pus s ILE 18 Ca 0.34 -0.17 -0.24 0.00 0.00 0.00 0.00 60.65 60.57 1pus s ILE 18 Cb -0.09 -0.18 0.02 0.00 0.01 0.00 0.00 42.46 42.22 1pus s ILE 18 CO 0.28 0.01 0.85 0.12 0.00 0.00 0.00 174.94 176.20 1pus s PHE 19 N -0.17 3.05 -0.23 3.97 5.36 -1.23 -0.88 117.98 127.85 1pus s PHE 19 Ca -0.00 0.54 -0.04 0.00 -0.96 0.00 0.00 56.93 56.47 1pus s PHE 19 Cb -0.02 -3.61 -0.01 0.00 -0.34 0.00 0.00 43.02 39.05 1pus s PHE 19 CO -0.00 -0.86 -0.04 0.42 -1.46 0.00 0.00 175.22 173.29 1pus s ILE 20 N 3.35 3.39 -0.37 3.12 -1.09 -1.25 -4.58 121.20 123.78 1pus s ILE 20 Ca 0.34 -0.52 -0.29 0.00 -2.23 0.00 0.00 60.65 57.95 1pus s ILE 20 Cb -0.12 -2.56 0.01 0.00 -1.58 0.00 0.00 42.46 38.20 1pus s ILE 20 CO 0.20 0.39 1.39 0.28 -1.23 0.00 0.00 174.94 175.97 1pus s THR 21 N 1.48 3.96 0.56 2.92 -1.32 -0.84 -4.54 115.64 117.86 1pus s THR 21 Ca 0.05 1.02 0.03 0.00 -1.21 0.00 0.00 61.69 61.59 1pus s THR 21 Cb -0.14 -4.17 0.05 0.00 -1.51 0.00 0.00 72.50 66.73 1pus s THR 21 CO -0.03 -0.65 0.78 0.00 -2.21 0.00 0.00 174.62 172.51 1pus s ARG 22 N 4.69 2.40 0.58 7.08 1.70 -1.26 -2.70 118.95 131.44 1pus s ARG 22 Ca 0.60 -1.02 0.28 0.00 -0.47 0.00 0.00 55.73 55.12 1pus s ARG 22 Cb -0.15 -2.52 1.54 0.00 -0.57 0.00 0.00 34.95 33.24 1pus s ARG 22 CO 0.30 -0.79 1.85 0.00 -1.08 0.00 0.00 175.30 175.57 1pus h ARG 23 N 0.07 0.00 0.00 3.89 2.47 -1.78 -3.42 114.38 115.60 1pus h ARG 23 Ca -0.39 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.33 1pus h ARG 23 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.61 1pus h ARG 23 CO 0.47 0.00 0.00 0.00 0.56 0.00 0.00 179.97 181.00 1pus n ALA 24 N -1.85 0.00 -2.70 0.04 0.00 -1.26 -3.98 120.51 110.77 1pus n ALA 24 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.43 1pus n ALA 24 Cb 0.30 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.77 1pus n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pus s ALA 25 N -1.00 -4.74 -0.08 0.00 0.00 -1.26 -4.83 121.76 109.86 1pus s ALA 25 Ca 0.00 1.26 0.02 0.00 0.00 0.00 0.00 51.96 53.24 1pus s ALA 25 Cb 0.00 -3.04 -0.06 0.00 0.00 0.00 0.00 23.12 20.01 1pus s ALA 25 CO 0.00 -2.54 -0.04 -0.40 0.00 0.00 0.00 175.76 172.78 1pus n ASP 26 N 3.34 3.39 -2.68 0.00 5.75 -1.26 -4.93 116.55 120.18 1pus n ASP 26 Ca 0.06 -0.03 -0.05 0.00 -0.01 0.00 0.00 54.79 54.76 1pus n ASP 26 Cb 0.65 0.12 0.05 0.00 -1.03 0.00 0.00 41.12 40.90 1pus n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pus n ALA 27 N -2.58 -1.51 -2.46 2.12 0.00 -1.26 -4.96 120.51 109.86 1pus n ALA 27 Ca -0.13 -0.73 -0.20 0.00 0.00 0.00 0.00 53.44 52.38 1pus n ALA 27 Cb 0.67 -1.43 -0.00 0.00 0.00 0.00 0.00 19.45 18.68 1pus n ALA 27 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1pus n HIS 28 N -0.26 -1.07 -1.58 0.00 -0.00 -1.26 -4.89 115.22 106.17 1pus n HIS 28 Ca -0.14 0.07 -0.32 0.00 0.46 0.00 0.00 57.72 57.78 1pus n HIS 28 Cb 0.72 -3.89 0.06 0.00 -0.12 0.00 0.00 29.99 26.77 1pus n HIS 28 CO 0.00 0.00 0.00 -0.12 0.46 0.00 0.00 176.34 176.68 1pus n MET 29 N -3.03 2.96 0.00 1.57 0.00 -1.26 -4.64 117.12 112.72 1pus n MET 29 Ca -0.22 -3.57 0.08 0.00 0.00 0.00 0.00 57.70 53.99 1pus n MET 29 Cb 0.67 -2.29 0.37 0.00 0.00 0.00 0.00 33.22 31.97 1pus n MET 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1pus n ALA 30 N -0.83 1.79 0.57 -5.12 0.00 -1.26 -2.71 120.51 112.95 1pus n ALA 30 Ca 0.57 -0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.98 1pus n ALA 30 Cb 0.72 -1.26 0.15 0.00 0.00 0.00 0.00 19.45 19.05 1pus n ALA 30 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1pus n ASN 31 N -1.44 2.36 -0.89 0.00 5.03 -1.24 -3.80 115.26 115.28 1pus n ASN 31 Ca 0.05 -2.23 0.02 0.00 0.87 0.00 0.00 54.58 53.29 1pus n ASN 31 Cb 0.17 -0.43 0.21 0.00 -1.02 0.00 0.00 39.78 38.70 1pus n ASN 31 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1pus n LYS 32 N 0.27 1.99 -1.69 3.52 4.81 -0.89 -2.33 118.16 123.84 1pus n LYS 32 Ca 0.10 -3.05 -0.57 0.00 -0.87 0.00 0.00 58.31 53.93 1pus n LYS 32 Cb 0.48 -1.76 -0.07 0.00 0.02 0.00 0.00 35.03 33.70 1pus n LYS 32 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1pus n LEU 33 N -1.02 2.14 0.00 3.14 0.00 -0.08 -4.35 117.00 116.83 1pus n LEU 33 Ca 0.27 1.09 0.00 0.00 0.00 0.00 0.00 56.01 57.37 1pus n LEU 33 Cb 0.91 -1.13 0.00 0.00 0.00 0.00 0.00 43.42 43.20 1pus n LEU 33 CO 0.13 -0.60 0.00 1.21 0.00 0.00 0.00 177.39 178.13 1pus n GLU 34 N 4.69 0.20 -4.41 1.96 2.13 -1.10 -3.87 120.64 120.24 1pus n GLU 34 Ca 0.25 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.81 1pus n GLU 34 Cb 0.13 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 31.73 1pus n GLU 34 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1pus s PHE 35 N -1.62 2.35 1.09 4.31 0.40 -1.26 -1.99 117.98 121.26 1pus s PHE 35 Ca 0.00 -0.33 -0.17 0.00 -0.60 0.00 0.00 56.93 55.83 1pus s PHE 35 Cb 0.00 -1.14 0.11 0.00 0.51 0.00 0.00 43.02 42.50 1pus s PHE 35 CO 0.00 0.54 0.18 -0.35 0.70 0.00 0.00 175.22 176.28 1pus n PRO 36 N 0.08 -1.42 0.00 0.24 -0.04 -1.26 -4.76 135.00 127.84 1pus n PRO 36 Ca -0.11 -0.39 0.00 0.00 -0.04 0.00 0.00 63.50 62.96 1pus n PRO 36 Cb 0.57 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 1pus n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pus n GLY 37 N 1.82 0.83 3.20 0.55 0.00 -1.25 -2.82 105.19 107.52 1pus n GLY 37 Ca 0.02 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 44.96 1pus n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pus s GLY 38 N -1.72 1.06 0.00 -0.02 0.00 -1.25 -2.42 107.32 102.97 1pus s GLY 38 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.87 1pus s GLY 38 CO 0.00 -0.54 0.00 1.17 0.00 0.00 0.00 173.10 173.73 1pus n LYS 39 N 2.94 0.00 -0.16 2.90 4.81 -1.26 -4.93 118.16 122.46 1pus n LYS 39 Ca -0.17 0.00 0.28 0.00 -0.87 0.00 0.00 58.31 57.55 1pus n LYS 39 Cb 0.53 -1.19 0.72 0.00 0.02 0.00 0.00 35.03 35.11 1pus n LYS 39 CO 0.00 0.00 0.00 -0.84 1.17 0.00 0.00 177.40 177.73 1pus h ILE 40 N 0.00 0.48 0.00 3.15 3.07 -1.84 -2.97 117.51 119.40 1pus h ILE 40 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1pus h ILE 40 Cb 0.00 0.53 0.00 0.00 -0.27 0.00 0.00 36.82 37.08 1pus h ILE 40 CO 0.00 0.00 0.00 -1.84 -1.05 0.00 0.00 178.15 175.26 1pus n GLU 41 N -4.13 0.00 0.00 0.16 0.28 -1.24 -4.14 120.64 111.58 1pus n GLU 41 Ca 0.18 0.39 0.00 0.00 -0.16 0.00 0.00 57.16 57.57 1pus n GLU 41 Cb 0.97 -1.02 0.00 0.00 1.43 0.00 0.00 31.44 32.82 1pus n GLU 41 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 1pus n MET 42 N -0.94 0.00 -0.76 3.44 2.81 -1.13 -1.20 117.12 119.35 1pus n MET 42 Ca 0.00 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.85 1pus n MET 42 Cb 0.00 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.47 1pus n MET 42 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pus n GLY 43 N 0.00 0.60 2.63 3.03 0.00 -1.26 -5.14 105.19 105.04 1pus n GLY 43 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1pus n GLY 43 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pus n GLU 44 N 0.00 0.69 -3.81 1.61 4.71 -0.34 -5.06 120.64 118.43 1pus n GLU 44 Ca -0.16 -2.08 -0.21 0.00 -0.01 0.00 0.00 57.16 54.70 1pus n GLU 44 Cb 0.58 -0.18 -0.02 0.00 -1.01 0.00 0.00 31.44 30.80 1pus n GLU 44 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 1pus s THR 45 N -1.47 4.27 0.61 2.62 -4.23 -1.26 -4.73 115.64 111.45 1pus s THR 45 Ca 0.41 -1.18 0.27 0.00 -1.18 0.00 0.00 61.69 60.01 1pus s THR 45 Cb -0.03 -3.45 0.35 0.00 1.34 0.00 0.00 72.50 70.71 1pus s THR 45 CO 0.26 -0.24 1.72 1.55 -0.54 0.00 0.00 174.62 177.38 1pus h PRO 46 N 1.18 0.00 0.00 3.99 0.13 -1.98 1.27 132.00 136.59 1pus h PRO 46 Ca -0.47 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.22 1pus h PRO 46 Cb 1.25 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.31 1pus h PRO 46 CO 0.58 0.00 -2.42 0.39 -0.23 0.00 0.00 178.00 176.32 1pus n GLU 47 N -3.42 0.60 0.14 0.86 -0.58 -1.26 -4.42 120.64 112.56 1pus n GLU 47 Ca 0.10 0.27 0.01 0.00 -0.42 0.00 0.00 57.16 57.12 1pus n GLU 47 Cb 0.83 -1.52 0.10 0.00 -0.57 0.00 0.00 31.44 30.28 1pus n GLU 47 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1pus h GLN 48 N -0.80 0.00 -0.53 3.49 4.20 -1.80 -2.71 115.11 116.95 1pus h GLN 48 Ca -0.65 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.10 1pus h GLN 48 Cb 1.65 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.39 1pus h GLN 48 CO -0.34 0.57 0.29 0.00 -0.67 0.00 0.00 178.83 178.68 1pus h ALA 49 N 1.43 0.69 0.05 3.87 0.00 0.14 0.91 119.26 126.35 1pus h ALA 49 Ca -0.01 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1pus h ALA 49 Cb 1.30 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.99 1pus h ALA 49 CO 0.07 -0.03 -0.44 -0.39 0.00 0.00 0.00 179.25 178.47 1pus h VAL 50 N 0.57 1.58 -0.96 0.00 -1.51 -1.74 -0.68 116.25 113.51 1pus h VAL 50 Ca 0.23 -2.26 0.01 0.00 -1.23 0.00 0.00 66.70 63.44 1pus h VAL 50 Cb 0.09 3.04 -0.05 0.00 -2.13 0.00 0.00 31.29 32.25 1pus h VAL 50 CO -0.13 0.63 0.63 0.58 -1.23 0.00 0.00 177.57 178.04 1pus h VAL 51 N -0.52 1.25 0.06 7.19 2.07 -1.34 1.12 116.25 126.08 1pus h VAL 51 Ca -0.07 -0.45 -0.13 0.00 0.82 0.00 0.00 66.70 66.87 1pus h VAL 51 Cb 1.27 -0.16 0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1pus h VAL 51 CO 0.08 0.24 -0.55 -0.09 0.02 0.00 0.00 177.57 177.27 1pus h ARG 52 N 1.30 0.26 0.00 1.57 9.65 0.76 -3.27 114.38 124.65 1pus h ARG 52 Ca 0.35 -0.37 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 1pus h ARG 52 Cb -0.15 0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 28.55 1pus h ARG 52 CO -0.08 1.12 -0.11 1.49 2.80 0.00 0.00 179.97 185.19 1pus h GLU 53 N -0.42 0.00 -0.69 0.20 4.57 -0.95 -3.07 114.58 114.23 1pus h GLU 53 Ca -0.09 0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.20 1pus h GLU 53 Cb 1.36 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.88 1pus h GLU 53 CO 0.11 0.11 0.31 1.25 -1.18 0.00 0.00 179.01 179.60 1pus h LEU 54 N 0.00 0.36 -1.64 1.64 5.85 0.13 0.60 115.31 122.25 1pus h LEU 54 Ca -0.00 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1pus h LEU 54 Cb 0.62 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1pus h LEU 54 CO 0.01 0.20 0.27 -0.61 -0.34 0.00 0.00 178.44 177.97 1pus h GLN 55 N 0.51 0.48 0.00 1.25 5.75 -1.67 1.60 115.11 123.03 1pus h GLN 55 Ca 0.35 -0.03 -0.11 0.00 -0.15 0.00 0.00 58.65 58.70 1pus h GLN 55 Cb 0.42 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.84 1pus h GLN 55 CO -0.30 0.32 -0.54 1.49 -2.65 0.00 0.00 178.83 177.14 1pus h GLU 56 N 0.49 0.00 -0.28 1.69 4.81 -0.36 0.43 114.58 121.36 1pus h GLU 56 Ca 0.15 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1pus h GLU 56 Cb 0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1pus h GLU 56 CO -0.04 0.54 0.00 0.39 -0.73 0.00 0.00 179.01 179.18 1pus n GLU 57 N -3.35 2.11 0.00 1.92 4.71 0.17 0.13 120.64 126.33 1pus n GLU 57 Ca 0.01 -1.87 0.00 0.00 -0.01 0.00 0.00 57.16 55.29 1pus n GLU 57 Cb 0.70 -1.32 0.00 0.00 -1.01 0.00 0.00 31.44 29.81 1pus n GLU 57 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1pus n VAL 58 N 0.81 0.00 0.00 2.62 0.31 0.53 -4.16 118.33 118.44 1pus n VAL 58 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1pus n VAL 58 Cb 0.43 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 1pus n VAL 58 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pus n GLY 59 N 2.00 0.61 2.01 2.92 0.00 0.15 0.10 105.19 112.99 1pus n GLY 59 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1pus n GLY 59 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1pus n ILE 60 N 0.00 0.00 -3.72 -0.61 -5.35 -1.26 -4.86 119.36 103.56 1pus n ILE 60 Ca 0.00 -0.62 -0.36 0.00 -0.27 0.00 0.00 62.75 61.50 1pus n ILE 60 Cb 0.00 -1.53 -0.09 0.00 -1.74 0.00 0.00 39.64 36.28 1pus n ILE 60 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1pus s THR 61 N -2.16 3.74 0.13 7.28 -4.23 -1.26 -4.93 115.64 114.20 1pus s THR 61 Ca 0.38 -3.11 0.05 0.00 -1.18 0.00 0.00 61.69 57.83 1pus s THR 61 Cb -0.01 -3.43 -0.04 0.00 1.34 0.00 0.00 72.50 70.36 1pus s THR 61 CO 0.26 -0.90 0.06 -2.16 -0.54 0.00 0.00 174.62 171.33 1pus s PRO 62 N -0.25 2.69 -1.24 3.99 0.04 -1.26 -3.03 135.00 135.93 1pus s PRO 62 Ca 0.18 -0.87 -0.20 0.00 0.04 0.00 0.00 61.00 60.14 1pus s PRO 62 Cb -0.19 -2.57 -0.01 0.00 0.04 0.00 0.00 34.50 31.77 1pus s PRO 62 CO -0.04 0.51 1.84 1.04 0.04 0.00 0.00 177.00 180.39 1pus n GLN 63 N 0.12 2.40 -4.49 4.56 6.02 0.29 -4.84 117.38 121.44 1pus n GLN 63 Ca -0.09 -2.87 -0.28 0.00 -0.01 0.00 0.00 57.00 53.75 1pus n GLN 63 Cb 0.53 -3.61 -0.17 0.00 1.02 0.00 0.00 30.24 28.01 1pus n GLN 63 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1pus s HIS 64 N 7.63 1.91 -0.17 1.08 2.46 -1.24 0.10 115.29 127.07 1pus s HIS 64 Ca 0.61 -0.87 -0.35 0.00 0.47 0.00 0.00 55.06 54.92 1pus s HIS 64 Cb 0.02 -1.38 0.15 0.00 -0.13 0.00 0.00 32.58 31.24 1pus s HIS 64 CO 0.11 -0.45 1.40 0.12 -2.47 0.00 0.00 174.74 173.46 1pus s PHE 65 N 0.93 -0.01 0.00 3.88 5.36 -1.06 -4.94 117.98 122.14 1pus s PHE 65 Ca -0.08 -0.00 0.00 0.00 -0.96 0.00 0.00 56.93 55.89 1pus s PHE 65 Cb -0.15 0.50 0.00 0.00 -0.34 0.00 0.00 43.02 43.03 1pus s PHE 65 CO -0.01 -0.03 0.00 0.45 -1.46 0.00 0.00 175.22 174.17 1pus n SER 66 N -0.29 0.00 -4.40 6.13 2.88 -1.24 -4.12 113.62 112.58 1pus n SER 66 Ca -0.03 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.18 1pus n SER 66 Cb 0.61 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.93 1pus n SER 66 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1pus s LEU 67 N -3.41 2.76 -0.05 2.46 0.05 -1.26 0.12 118.68 119.35 1pus s LEU 67 Ca 0.00 -0.29 0.04 0.00 0.05 0.00 0.00 54.13 53.93 1pus s LEU 67 Cb 0.00 -1.61 -0.25 0.00 -2.05 0.00 0.00 46.19 42.28 1pus s LEU 67 CO 0.00 0.20 0.65 2.19 -0.55 0.00 0.00 176.35 178.84 1pus h PHE 68 N 6.43 0.22 -1.42 3.48 -0.00 -1.63 -3.41 116.94 120.60 1pus h PHE 68 Ca -0.30 -0.16 0.12 0.00 -0.00 0.00 0.00 57.97 57.63 1pus h PHE 68 Cb 1.20 -0.01 -0.24 0.00 -0.00 0.00 0.00 35.95 36.90 1pus h PHE 68 CO 0.50 1.30 0.66 -2.00 -0.00 0.00 0.00 178.31 178.77 1pus s GLU 69 N -2.60 0.45 -0.21 6.09 2.12 -0.38 -5.00 118.70 119.18 1pus s GLU 69 Ca -0.10 0.11 -0.04 0.00 0.36 0.00 0.00 54.97 55.30 1pus s GLU 69 Cb 0.07 0.21 0.09 0.00 0.26 0.00 0.00 34.13 34.76 1pus s GLU 69 CO 0.81 -0.14 0.18 -1.59 -0.54 0.00 0.00 175.26 173.98 1pus s LYS 70 N -1.07 0.16 -0.01 4.30 -2.85 -1.26 0.45 119.74 119.45 1pus s LYS 70 Ca 0.01 0.01 0.08 0.00 -1.00 0.00 0.00 55.97 55.07 1pus s LYS 70 Cb -0.01 -1.36 -0.02 0.00 -2.06 0.00 0.00 37.83 34.38 1pus s LYS 70 CO -0.01 -0.73 -0.25 -1.17 0.10 0.00 0.00 175.35 173.29 1pus s LEU 71 N 2.24 2.06 -0.00 2.77 0.20 -1.10 -4.95 118.68 119.90 1pus s LEU 71 Ca 0.06 -0.47 -0.00 0.00 0.69 0.00 0.00 54.13 54.41 1pus s LEU 71 Cb -0.16 -1.28 0.00 0.00 -0.43 0.00 0.00 46.19 44.33 1pus s LEU 71 CO -0.15 0.30 0.01 -1.83 -0.29 0.00 0.00 176.35 174.38 1pus s GLU 72 N -0.66 0.00 -0.28 1.98 1.03 -1.26 -2.98 118.70 116.53 1pus s GLU 72 Ca 0.10 0.02 -0.04 0.00 0.03 0.00 0.00 54.97 55.08 1pus s GLU 72 Cb -0.10 -0.01 0.10 0.00 -0.80 0.00 0.00 34.13 33.33 1pus s GLU 72 CO -0.01 -0.01 0.15 -0.47 -1.33 0.00 0.00 175.26 173.59 1pus s TYR 73 N 0.06 0.19 0.29 4.83 5.04 -1.03 -5.03 117.35 121.71 1pus s TYR 73 Ca -0.00 -0.72 -0.29 0.00 -2.44 0.00 0.00 57.07 53.61 1pus s TYR 73 Cb -0.01 -0.82 -0.10 0.00 0.35 0.00 0.00 41.96 41.38 1pus s TYR 73 CO -0.00 -0.81 1.42 -1.83 -1.34 0.00 0.00 175.55 172.99 1pus s GLU 74 N 2.14 4.26 0.29 4.97 1.03 -1.25 -3.87 118.70 126.27 1pus s GLU 74 Ca 0.08 2.34 0.06 0.00 0.03 0.00 0.00 54.97 57.48 1pus s GLU 74 Cb -0.16 -3.08 -0.02 0.00 -0.80 0.00 0.00 34.13 30.08 1pus s GLU 74 CO -0.34 -0.39 0.38 -0.06 -1.33 0.00 0.00 175.26 173.52 1pus s PHE 75 N -0.43 3.19 -0.74 4.83 0.40 0.32 -4.85 117.98 120.71 1pus s PHE 75 Ca 0.56 -0.15 -0.18 0.00 -0.60 0.00 0.00 56.93 56.56 1pus s PHE 75 Cb -0.42 -1.76 -0.17 0.00 0.51 0.00 0.00 43.02 41.18 1pus s PHE 75 CO 0.48 0.23 1.85 -0.35 0.70 0.00 0.00 175.22 178.13 1pus n PRO 76 N -1.47 0.12 0.00 0.24 -0.04 -1.26 -0.78 135.00 131.81 1pus n PRO 76 Ca -0.04 -1.01 0.00 0.00 -0.04 0.00 0.00 63.50 62.41 1pus n PRO 76 Cb 0.58 -2.90 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 1pus n PRO 76 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1pus n ASP 77 N 14.62 0.00 -4.16 3.54 2.03 -1.26 -5.01 116.55 126.31 1pus n ASP 77 Ca 0.32 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 55.24 1pus n ASP 77 Cb 0.45 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.76 1pus n ASP 77 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1pus s ARG 78 N -0.48 2.53 -0.89 -0.67 3.52 0.04 0.97 118.95 123.98 1pus s ARG 78 Ca 0.00 -2.16 -0.25 0.00 -0.13 0.00 0.00 55.73 53.20 1pus s ARG 78 Cb 0.00 -3.83 0.03 0.00 -1.56 0.00 0.00 34.95 29.58 1pus s ARG 78 CO 0.00 -1.17 1.50 -1.01 -0.81 0.00 0.00 175.30 173.80 1pus s HIS 79 N 0.62 2.29 -0.02 5.12 3.76 0.87 0.12 115.29 128.04 1pus s HIS 79 Ca 0.12 -0.28 -0.24 0.00 -0.15 0.00 0.00 55.06 54.51 1pus s HIS 79 Cb -0.21 -4.54 -0.04 0.00 1.11 0.00 0.00 32.58 28.89 1pus s HIS 79 CO -0.03 -1.99 0.73 -1.50 -0.85 0.00 0.00 174.74 171.10 1pus s ILE 80 N 6.20 4.93 -0.10 0.60 2.07 -1.25 -0.38 121.20 133.28 1pus s ILE 80 Ca 0.47 1.52 -0.01 0.00 -1.41 0.00 0.00 60.65 61.23 1pus s ILE 80 Cb -0.04 -4.07 0.03 0.00 0.13 0.00 0.00 42.46 38.51 1pus s ILE 80 CO 0.01 0.29 -0.01 -0.89 -1.91 0.00 0.00 174.94 172.44 1pus s THR 81 N 0.47 0.54 -0.16 4.00 2.01 -0.40 -2.46 115.64 119.64 1pus s THR 81 Ca 0.38 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.32 1pus s THR 81 Cb -0.19 -0.72 0.03 0.00 0.01 0.00 0.00 72.50 71.64 1pus s THR 81 CO 0.20 0.22 -0.10 -1.48 -0.69 0.00 0.00 174.62 172.77 1pus s LEU 82 N 1.90 1.78 -0.24 4.42 0.05 -1.16 0.19 118.68 125.62 1pus s LEU 82 Ca 0.04 -0.63 -0.09 0.00 0.05 0.00 0.00 54.13 53.50 1pus s LEU 82 Cb -0.13 -1.08 -0.04 0.00 -2.05 0.00 0.00 46.19 42.89 1pus s LEU 82 CO -0.06 -0.13 0.12 0.26 -0.55 0.00 0.00 176.35 175.99 1pus s TRP 83 N 1.53 3.20 -0.43 3.48 0.52 0.24 -2.72 118.94 124.75 1pus s TRP 83 Ca 0.02 -0.05 -0.18 0.00 0.02 0.00 0.00 56.10 55.90 1pus s TRP 83 Cb -0.14 -2.25 0.02 0.00 -1.15 0.00 0.00 33.47 29.95 1pus s TRP 83 CO -0.09 -0.13 0.51 -0.06 0.02 0.00 0.00 176.95 177.21 1pus s PHE 84 N 1.31 3.13 0.12 -1.98 0.40 0.17 0.82 117.98 121.95 1pus s PHE 84 Ca 0.06 -0.28 -0.06 0.00 -0.60 0.00 0.00 56.93 56.06 1pus s PHE 84 Cb -0.15 -3.06 -0.05 0.00 0.51 0.00 0.00 43.02 40.27 1pus s PHE 84 CO 0.05 -0.77 0.37 -1.58 0.70 0.00 0.00 175.22 173.99 1pus s TRP 85 N 2.37 3.50 -0.01 0.36 0.52 0.34 -1.24 118.94 124.77 1pus s TRP 85 Ca 0.16 0.59 -0.16 0.00 0.02 0.00 0.00 56.10 56.71 1pus s TRP 85 Cb -0.16 -2.02 -0.06 0.00 -1.15 0.00 0.00 33.47 30.08 1pus s TRP 85 CO 0.15 0.47 0.44 -1.17 0.02 0.00 0.00 176.95 176.86 1pus s LEU 86 N -2.43 4.44 0.05 2.99 2.96 0.32 -1.95 118.68 125.07 1pus s LEU 86 Ca 0.38 0.97 0.08 0.00 -0.22 0.00 0.00 54.13 55.33 1pus s LEU 86 Cb -0.13 -2.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.90 1pus s LEU 86 CO 0.23 0.26 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.62 1pus s VAL 87 N -0.77 1.71 -0.09 1.68 1.01 -1.09 -2.58 120.40 120.29 1pus s VAL 87 Ca 0.25 -1.27 0.07 0.00 0.00 0.00 0.00 61.98 61.03 1pus s VAL 87 Cb -0.17 -1.50 -0.11 0.00 0.00 0.00 0.00 36.38 34.61 1pus s VAL 87 CO 0.13 0.17 0.02 1.21 0.00 0.00 0.00 175.10 176.64 1pus n GLU 88 N 1.71 2.43 -3.64 2.72 4.07 -0.56 -3.48 120.64 123.89 1pus n GLU 88 Ca -0.18 -0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 56.85 1pus n GLU 88 Cb 0.53 -1.23 -0.02 0.00 -0.06 0.00 0.00 31.44 30.67 1pus n GLU 88 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 1pus s ARG 89 N -2.21 1.28 -0.13 5.31 6.06 0.29 -4.50 118.95 125.06 1pus s ARG 89 Ca -0.05 -0.62 -0.07 0.00 -2.50 0.00 0.00 55.73 52.50 1pus s ARG 89 Cb 0.03 0.50 0.05 0.00 0.06 0.00 0.00 34.95 35.59 1pus s ARG 89 CO 0.36 -0.58 0.30 1.67 -2.50 0.00 0.00 175.30 174.55 1pus s TRP 90 N -3.53 -0.42 0.35 5.12 -2.14 -1.24 0.11 118.94 117.19 1pus s TRP 90 Ca 0.07 0.95 -0.25 0.00 2.66 0.00 0.00 56.10 59.54 1pus s TRP 90 Cb -0.02 0.12 -0.10 0.00 -3.10 0.00 0.00 33.47 30.37 1pus s TRP 90 CO -0.03 -0.27 0.99 -1.21 -2.66 0.00 0.00 176.95 173.77 1pus s GLU 91 N 1.28 4.42 6.58 3.25 2.02 -1.17 -4.78 118.70 130.31 1pus s GLU 91 Ca -0.09 1.40 0.00 0.00 0.02 0.00 0.00 54.97 56.30 1pus s GLU 91 Cb -0.10 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.45 1pus s GLU 91 CO -0.10 0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.70 1pus n GLY 92 N 0.43 3.15 2.97 -1.39 0.00 -1.26 -4.56 105.19 104.53 1pus n GLY 92 Ca 0.03 0.27 -0.17 0.00 0.00 0.00 0.00 46.02 46.15 1pus n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pus s GLU 93 N 0.00 0.54 0.01 1.61 2.02 -1.26 -5.13 118.70 116.48 1pus s GLU 93 Ca 0.00 -0.22 -0.30 0.00 0.02 0.00 0.00 54.97 54.47 1pus s GLU 93 Cb 0.00 -0.52 -0.04 0.00 0.10 0.00 0.00 34.13 33.67 1pus s GLU 93 CO 0.00 0.12 1.13 -2.14 0.02 0.00 0.00 175.26 174.39 1pus s PRO 94 N -0.08 4.45 0.22 0.39 0.02 -1.26 -4.67 135.00 134.06 1pus s PRO 94 Ca 0.01 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.67 1pus s PRO 94 Cb -0.03 -3.44 0.00 0.00 0.02 0.00 0.00 34.50 31.05 1pus s PRO 94 CO -0.00 -0.25 0.00 -2.67 -0.33 0.00 0.00 177.00 173.75 1pus n TRP 95 N 4.28 -1.60 0.00 6.54 4.27 -0.38 -5.03 117.44 125.53 1pus n TRP 95 Ca 0.09 0.28 0.00 0.00 -3.89 0.00 0.00 57.50 53.98 1pus n TRP 95 Cb 0.48 0.37 0.00 0.00 -1.36 0.00 0.00 31.31 30.79 1pus n TRP 95 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1pus n GLY 96 N 2.27 1.48 0.00 -1.67 0.00 0.28 -4.12 105.19 103.43 1pus n GLY 96 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.67 1pus n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pus n LYS 97 N 0.00 0.00 -0.02 1.61 3.00 0.35 -4.68 118.16 118.43 1pus n LYS 97 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.22 1pus n LYS 97 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 34.89 1pus n LYS 97 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1pus h GLU 98 N 0.00 0.02 0.00 1.64 -0.00 -1.78 -3.42 114.58 111.04 1pus h GLU 98 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 59.36 59.33 1pus h GLU 98 Cb 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 28.76 1pus h GLU 98 CO 0.00 0.56 0.00 0.41 -0.00 0.00 0.00 179.01 179.98 1pus n GLY 99 N 1.57 2.47 3.37 1.06 0.00 -1.26 -4.96 105.19 107.44 1pus n GLY 99 Ca -0.17 -0.80 -0.44 0.00 0.00 0.00 0.00 46.02 44.61 1pus n GLY 99 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pus s GLN 100 N 0.00 2.92 0.37 1.61 1.11 -1.26 -5.06 119.66 119.35 1pus s GLN 100 Ca 0.00 -1.38 -0.23 0.00 0.01 0.00 0.00 55.36 53.76 1pus s GLN 100 Cb 0.00 -4.08 -0.14 0.00 -1.01 0.00 0.00 33.01 27.78 1pus s GLN 100 CO 0.00 -1.03 0.43 -2.30 0.01 0.00 0.00 175.29 172.40 1pus n PRO 101 N 5.16 0.35 -4.41 2.91 -0.02 -1.26 -4.12 135.00 133.61 1pus n PRO 101 Ca -0.12 0.13 -0.22 0.00 -2.02 0.00 0.00 63.50 61.27 1pus n PRO 101 Cb 0.43 -1.29 -0.08 0.00 -0.02 0.00 0.00 33.50 32.54 1pus n PRO 101 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1pus s GLY 102 N -0.95 2.37 0.08 -1.23 0.00 -1.26 -4.54 107.32 101.80 1pus s GLY 102 Ca 0.62 -1.60 0.04 0.00 0.00 0.00 0.00 44.72 43.78 1pus s GLY 102 CO 0.59 -1.67 -0.10 1.85 0.00 0.00 0.00 173.10 173.77 1pus s GLU 103 N -3.68 0.79 -0.33 2.90 2.12 -1.26 -4.93 118.70 114.30 1pus s GLU 103 Ca 0.31 -1.06 -0.28 0.00 0.36 0.00 0.00 54.97 54.31 1pus s GLU 103 Cb 0.03 -0.54 -0.04 0.00 0.26 0.00 0.00 34.13 33.84 1pus s GLU 103 CO 0.19 0.09 2.12 -1.58 -0.54 0.00 0.00 175.26 175.53 1pus s TRP 104 N -2.08 1.36 -0.02 5.30 0.51 -1.26 -3.89 118.94 118.85 1pus s TRP 104 Ca 0.02 0.79 0.08 0.00 -2.12 0.00 0.00 56.10 54.86 1pus s TRP 104 Cb -0.05 -3.93 -0.02 0.00 -0.81 0.00 0.00 33.47 28.66 1pus s TRP 104 CO 0.00 -3.33 -0.25 0.00 -0.51 0.00 0.00 176.95 172.86 1pus s MET 105 N 6.60 2.11 -0.14 4.98 0.23 -0.06 -4.76 119.30 128.27 1pus s MET 105 Ca 0.92 -0.93 -0.29 0.00 -1.03 0.00 0.00 55.69 54.36 1pus s MET 105 Cb -0.25 -2.07 -0.06 0.00 -1.53 0.00 0.00 34.83 30.93 1pus s MET 105 CO 0.32 0.56 1.95 -1.54 -2.03 0.00 0.00 175.02 174.27 1pus s SER 106 N -0.69 6.07 0.54 -1.18 1.04 -1.26 0.11 113.70 118.33 1pus s SER 106 Ca 0.10 2.06 0.36 0.00 0.48 0.00 0.00 55.95 58.95 1pus s SER 106 Cb -0.10 -2.52 1.76 0.00 0.10 0.00 0.00 66.02 65.25 1pus s SER 106 CO -0.00 -1.44 2.08 0.25 0.98 0.00 0.00 173.24 175.10 1pus h LEU 107 N 12.54 0.00 -1.21 2.42 5.85 -1.87 -2.62 115.31 130.41 1pus h LEU 107 Ca -0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1pus h LEU 107 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1pus h LEU 107 CO 0.97 0.00 0.16 0.58 -0.34 0.00 0.00 178.44 179.81 1pus h VAL 108 N 0.00 0.00 -0.94 1.05 2.07 -1.88 -1.12 116.25 115.42 1pus h VAL 108 Ca 0.00 0.00 -0.57 0.00 0.82 0.00 0.00 66.70 66.95 1pus h VAL 108 Cb 0.22 0.40 -0.41 0.00 -1.52 0.00 0.00 31.29 29.97 1pus h VAL 108 CO 0.00 0.00 -0.64 0.61 0.02 0.00 0.00 177.57 177.56 1pus n GLY 109 N -1.28 6.28 3.71 2.17 0.00 -0.99 -5.00 105.19 110.08 1pus n GLY 109 Ca -0.01 -2.66 -0.42 0.00 0.00 0.00 0.00 46.02 42.93 1pus n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pus s LEU 110 N -3.61 4.37 -0.11 0.99 1.98 -0.43 -4.99 118.68 116.88 1pus s LEU 110 Ca 0.51 2.71 0.04 0.00 -2.89 0.00 0.00 54.13 54.50 1pus s LEU 110 Cb 0.42 -3.59 0.00 0.00 0.66 0.00 0.00 46.19 43.68 1pus s LEU 110 CO -0.02 -0.92 -0.23 0.20 -1.89 0.00 0.00 176.35 173.50 1pus s ASN 111 N 1.61 3.15 0.27 3.68 0.01 -1.26 -4.89 114.94 117.51 1pus s ASN 111 Ca 0.74 -0.55 0.25 0.00 -0.71 0.00 0.00 52.86 52.59 1pus s ASN 111 Cb -0.46 -1.43 0.97 0.00 0.41 0.00 0.00 41.25 40.74 1pus s ASN 111 CO 0.33 0.15 1.74 0.00 -1.51 0.00 0.00 177.10 177.81 1pus h ALA 112 N 6.79 1.00 0.02 0.60 0.00 -1.94 -2.94 119.26 122.78 1pus h ALA 112 Ca -0.21 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1pus h ALA 112 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1pus h ALA 112 CO 0.49 0.00 -0.14 0.22 0.00 0.00 0.00 179.25 179.82 1pus h ASP 113 N 0.00 0.09 0.45 0.00 3.58 -1.94 -3.33 116.42 115.28 1pus h ASP 113 Ca 0.00 -0.91 -0.09 0.00 0.42 0.00 0.00 57.03 56.45 1pus h ASP 113 Cb 0.46 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 1pus h ASP 113 CO 0.00 0.99 -0.44 -2.24 -2.88 0.00 0.00 179.24 174.67 1pus h ASP 114 N -0.80 0.00 -2.66 2.28 2.03 -1.82 -3.43 116.42 112.02 1pus h ASP 114 Ca -0.02 0.00 -0.45 0.00 -0.73 0.00 0.00 57.03 55.83 1pus h ASP 114 Cb 1.03 0.00 0.06 0.00 -0.83 0.00 0.00 39.33 39.59 1pus h ASP 114 CO 0.03 0.44 0.05 0.72 -1.03 0.00 0.00 179.24 179.45 1pus s PHE 115 N -4.01 2.55 0.05 4.15 -0.71 -1.12 -0.90 117.98 117.99 1pus s PHE 115 Ca -0.02 0.01 -0.31 0.00 -1.04 0.00 0.00 56.93 55.57 1pus s PHE 115 Cb 0.14 -2.90 -0.06 0.00 -1.21 0.00 0.00 43.02 38.98 1pus s PHE 115 CO 0.73 -1.19 1.36 -1.25 -1.34 0.00 0.00 175.22 173.53 1pus s PRO 116 N -4.95 4.32 0.31 1.99 0.04 -0.98 -4.43 135.00 131.29 1pus s PRO 116 Ca 0.60 1.96 0.23 0.00 0.04 0.00 0.00 61.00 63.83 1pus s PRO 116 Cb -0.09 -3.42 1.14 0.00 0.04 0.00 0.00 34.50 32.16 1pus s PRO 116 CO 0.41 -0.47 1.70 -0.35 0.04 0.00 0.00 177.00 178.33 1pus n PRO 117 N 4.63 0.17 0.00 0.56 -0.04 -1.26 -2.00 135.00 137.06 1pus n PRO 117 Ca 0.12 0.57 0.10 0.00 -0.04 0.00 0.00 63.50 64.24 1pus n PRO 117 Cb 0.44 -1.95 0.43 0.00 -0.04 0.00 0.00 33.50 32.39 1pus n PRO 117 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pus n ALA 118 N -1.79 1.93 -1.65 0.55 0.00 -1.26 -3.03 120.51 115.26 1pus n ALA 118 Ca -0.00 -0.07 0.02 0.00 0.00 0.00 0.00 53.44 53.38 1pus n ALA 118 Cb 0.11 -1.32 0.18 0.00 0.00 0.00 0.00 19.45 18.42 1pus n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1pus n ASN 119 N -1.46 2.16 -0.04 0.00 5.03 -0.84 -4.77 115.26 115.33 1pus n ASN 119 Ca 0.06 -3.89 -0.10 0.00 0.87 0.00 0.00 54.58 51.52 1pus n ASN 119 Cb 0.22 -0.51 0.05 0.00 -1.02 0.00 0.00 39.78 38.52 1pus n ASN 119 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.26 176.48 1pus h GLU 120 N 1.15 0.67 -0.80 3.52 4.11 -1.71 -2.94 114.58 118.59 1pus h GLU 120 Ca 0.06 -0.38 0.14 0.00 0.07 0.00 0.00 59.36 59.26 1pus h GLU 120 Cb 1.09 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.27 1pus h GLU 120 CO 0.11 0.99 0.37 -1.35 0.07 0.00 0.00 179.01 179.20 1pus h PRO 121 N 0.54 0.52 0.02 1.06 0.11 -1.87 1.52 132.00 133.89 1pus h PRO 121 Ca 0.03 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1pus h PRO 121 Cb 1.00 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1pus h PRO 121 CO 0.09 0.34 -0.01 0.28 -0.21 0.00 0.00 178.00 178.50 1pus h VAL 122 N 0.53 1.48 -0.13 3.15 2.07 -1.95 -3.33 116.25 118.07 1pus h VAL 122 Ca 0.44 -1.90 -0.07 0.00 0.82 0.00 0.00 66.70 65.98 1pus h VAL 122 Cb 0.65 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 33.11 1pus h VAL 122 CO -0.38 0.47 -0.25 0.40 0.02 0.00 0.00 177.57 177.82 1pus h ILE 123 N -0.90 1.24 -0.43 4.57 1.08 -1.32 -2.53 117.51 119.21 1pus h ILE 123 Ca -0.00 -1.11 0.12 0.00 -0.39 0.00 0.00 64.86 63.49 1pus h ILE 123 Cb 0.78 1.42 -0.02 0.00 -3.07 0.00 0.00 36.82 35.93 1pus h ILE 123 CO 0.00 0.34 0.32 0.00 -0.69 0.00 0.00 178.15 178.12 1pus h ALA 124 N 1.53 2.38 0.11 1.87 0.00 0.21 1.53 119.26 126.89 1pus h ALA 124 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1pus h ALA 124 Cb 0.57 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1pus h ALA 124 CO 0.04 -0.54 -0.05 0.87 0.00 0.00 0.00 179.25 179.57 1pus h LYS 125 N 0.00 -0.14 0.10 0.00 1.79 -1.56 -3.18 116.57 113.58 1pus h LYS 125 Ca 0.20 0.01 -0.27 0.00 -2.18 0.00 0.00 60.65 58.42 1pus h LYS 125 Cb 0.84 0.03 0.01 0.00 -1.58 0.00 0.00 32.23 31.53 1pus h LYS 125 CO -0.00 0.37 -1.17 1.25 -1.08 0.00 0.00 179.45 178.82 1pus h LEU 126 N -0.82 0.55 -0.84 2.94 6.46 -1.48 -3.30 115.31 118.81 1pus h LEU 126 Ca -0.01 -0.53 0.13 0.00 -0.12 0.00 0.00 57.88 57.35 1pus h LEU 126 Cb 0.57 -0.17 -0.09 0.00 -0.73 0.00 0.00 40.66 40.24 1pus h LEU 126 CO 0.02 1.37 0.45 0.50 -0.62 0.00 0.00 178.44 180.16 1pus h LYS 127 N 0.15 0.65 0.00 1.25 3.64 0.20 0.98 116.57 123.45 1pus h LYS 127 Ca -0.13 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1pus h LYS 127 Cb 1.85 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.53 1pus h LYS 127 CO 0.20 0.43 0.00 -2.13 -2.27 0.00 0.00 179.45 175.68 1pus n ARG 128 N -4.83 0.06 -0.33 1.90 0.63 -1.20 -4.79 116.66 108.09 1pus n ARG 128 Ca 0.16 0.45 0.00 0.00 -0.92 0.00 0.00 57.85 57.54 1pus n ARG 128 Cb 0.38 -1.65 0.00 0.00 0.45 0.00 0.00 32.46 31.65 1pus n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40