#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 4.11 0.01 0.03 2.47 -1.26 -5.08 119.74 120.03 1pus s LYS 2 Ca 0.00 0.74 0.01 0.00 -1.56 0.00 0.00 55.97 55.16 1pus s LYS 2 Cb 0.00 -2.69 -0.01 0.00 -1.46 0.00 0.00 37.83 33.67 1pus s LYS 2 CO 0.00 0.30 -0.04 -1.59 0.16 0.00 0.00 175.35 174.17 1pus s LYS 3 N -2.42 0.34 -0.13 4.03 -2.85 -1.26 -3.32 119.74 114.13 1pus s LYS 3 Ca 0.47 -0.37 -0.04 0.00 -1.00 0.00 0.00 55.97 55.04 1pus s LYS 3 Cb -0.14 -0.20 0.06 0.00 -2.06 0.00 0.00 37.83 35.49 1pus s LYS 3 CO 0.19 0.04 0.24 -0.48 0.10 0.00 0.00 175.35 175.45 1pus s LEU 4 N -0.70 -0.25 0.11 2.77 0.05 0.81 -4.96 118.68 116.50 1pus s LEU 4 Ca -0.05 0.48 0.02 0.00 0.05 0.00 0.00 54.13 54.64 1pus s LEU 4 Cb -0.05 0.60 -0.04 0.00 -2.05 0.00 0.00 46.19 44.65 1pus s LEU 4 CO -0.00 -0.25 0.19 -1.10 -0.55 0.00 0.00 176.35 174.65 1pus s GLN 5 N 2.39 3.24 -0.10 1.48 -0.21 -1.26 -2.98 119.66 122.22 1pus s GLN 5 Ca 0.02 -0.61 -0.06 0.00 0.02 0.00 0.00 55.36 54.74 1pus s GLN 5 Cb -0.12 -2.89 0.04 0.00 1.00 0.00 0.00 33.01 31.04 1pus s GLN 5 CO -0.08 0.55 0.24 0.96 -2.12 0.00 0.00 175.29 174.84 1pus s ILE 6 N -1.60 -0.04 -0.12 1.08 -0.00 -0.00 -3.15 121.20 117.38 1pus s ILE 6 Ca 0.33 0.13 0.02 0.00 -0.00 0.00 0.00 60.65 61.13 1pus s ILE 6 Cb -0.12 -0.38 0.01 0.00 -0.00 0.00 0.00 42.46 41.98 1pus s ILE 6 CO 0.26 0.05 -0.16 0.00 -0.00 0.00 0.00 174.94 175.09 1pus s ALA 7 N 1.12 1.79 0.31 2.27 0.00 -1.10 -2.19 121.76 123.95 1pus s ALA 7 Ca -0.08 -0.80 0.10 0.00 0.00 0.00 0.00 51.96 51.17 1pus s ALA 7 Cb -0.09 -0.87 -0.05 0.00 0.00 0.00 0.00 23.12 22.11 1pus s ALA 7 CO -0.07 -0.08 -0.02 0.14 0.00 0.00 0.00 175.76 175.72 1pus s VAL 8 N 0.98 2.87 -0.18 0.00 -7.23 0.30 -3.79 120.40 113.36 1pus s VAL 8 Ca -0.06 -2.02 -0.04 0.00 -1.81 0.00 0.00 61.98 58.05 1pus s VAL 8 Cb -0.15 -2.73 0.09 0.00 0.56 0.00 0.00 36.38 34.15 1pus s VAL 8 CO -0.02 -0.29 0.24 -0.83 -0.31 0.00 0.00 175.10 173.89 1pus s GLY 9 N -3.67 -0.05 -0.72 2.32 0.00 -1.16 -0.02 107.32 104.02 1pus s GLY 9 Ca 0.33 0.47 -0.26 0.00 0.00 0.00 0.00 44.72 45.27 1pus s GLY 9 CO 0.19 2.12 1.83 -0.42 0.00 0.00 0.00 173.10 176.81 1pus s ILE 10 N 2.36 3.43 -0.18 0.90 1.01 -0.76 -4.54 121.20 123.42 1pus s ILE 10 Ca 0.06 0.01 -0.29 0.00 0.00 0.00 0.00 60.65 60.43 1pus s ILE 10 Cb -0.15 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 1pus s ILE 10 CO -0.11 -1.03 1.47 -0.51 0.00 0.00 0.00 174.94 174.76 1pus s ILE 11 N 8.97 3.91 0.11 2.92 2.07 -1.26 -2.84 121.20 135.07 1pus s ILE 11 Ca 0.65 1.07 -0.07 0.00 -1.41 0.00 0.00 60.65 60.88 1pus s ILE 11 Cb -0.10 -3.81 -0.06 0.00 0.13 0.00 0.00 42.46 38.63 1pus s ILE 11 CO 0.13 -0.23 0.38 -0.13 -1.91 0.00 0.00 174.94 173.19 1pus s ARG 12 N 4.11 3.68 0.18 3.50 1.81 -1.25 0.60 118.95 131.58 1pus s ARG 12 Ca 0.65 0.04 0.02 0.00 -1.72 0.00 0.00 55.73 54.72 1pus s ARG 12 Cb -0.25 -2.92 0.02 0.00 -0.45 0.00 0.00 34.95 31.36 1pus s ARG 12 CO 0.24 0.52 0.21 0.27 -0.68 0.00 0.00 175.30 175.85 1pus n ASN 13 N 0.53 1.00 0.00 0.23 6.94 0.29 -3.08 115.26 121.17 1pus n ASN 13 Ca -0.05 -1.53 0.08 0.00 -0.02 0.00 0.00 54.58 53.06 1pus n ASN 13 Cb 0.52 -0.09 0.47 0.00 -2.36 0.00 0.00 39.78 38.32 1pus n ASN 13 CO 0.00 0.00 0.00 1.21 -1.03 0.00 0.00 177.26 177.44 1pus n GLU 14 N -1.21 0.59 -2.35 -3.83 0.00 -1.26 -3.41 120.64 109.16 1pus n GLU 14 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 57.16 56.98 1pus n GLU 14 Cb 0.19 -1.42 0.02 0.00 0.00 0.00 0.00 31.44 30.23 1pus n GLU 14 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1pus n ASN 15 N -0.92 4.06 -2.22 4.31 2.85 -1.26 -4.93 115.26 117.15 1pus n ASN 15 Ca 0.12 -3.41 -0.05 0.00 -0.11 0.00 0.00 54.58 51.13 1pus n ASN 15 Cb 0.05 -0.42 -0.01 0.00 1.24 0.00 0.00 39.78 40.65 1pus n ASN 15 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1pus n ASN 16 N -0.55 -2.07 -4.61 1.20 0.23 -1.22 -4.90 115.26 103.34 1pus n ASN 16 Ca 0.34 0.32 -0.23 0.00 -0.53 0.00 0.00 54.58 54.48 1pus n ASN 16 Cb 0.82 -1.91 -0.08 0.00 -2.08 0.00 0.00 39.78 36.53 1pus n ASN 16 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1pus s GLU 17 N -4.52 2.13 -0.09 -3.83 2.02 -1.26 -4.45 118.70 108.70 1pus s GLU 17 Ca 0.00 -1.56 0.03 0.00 0.02 0.00 0.00 54.97 53.46 1pus s GLU 17 Cb 0.00 -2.04 0.01 0.00 0.10 0.00 0.00 34.13 32.20 1pus s GLU 17 CO 0.00 0.30 -0.17 -1.50 0.02 0.00 0.00 175.26 173.91 1pus s ILE 18 N -2.41 1.57 -0.35 -1.63 2.07 0.66 0.11 121.20 121.23 1pus s ILE 18 Ca 0.32 -0.72 -0.29 0.00 -1.41 0.00 0.00 60.65 58.55 1pus s ILE 18 Cb -0.05 -1.40 0.01 0.00 0.13 0.00 0.00 42.46 41.15 1pus s ILE 18 CO 0.19 0.45 1.30 0.12 -1.91 0.00 0.00 174.94 175.09 1pus s PHE 19 N 0.67 2.65 -0.13 3.50 5.36 0.20 -3.38 117.98 126.85 1pus s PHE 19 Ca -0.13 0.82 0.03 0.00 -0.96 0.00 0.00 56.93 56.69 1pus s PHE 19 Cb -0.16 -4.05 0.01 0.00 -0.34 0.00 0.00 43.02 38.47 1pus s PHE 19 CO 0.04 -1.67 -0.22 0.96 -1.46 0.00 0.00 175.22 172.86 1pus s ILE 20 N 4.61 2.05 -0.31 3.12 -4.36 -1.26 -4.23 121.20 120.82 1pus s ILE 20 Ca 0.56 -0.98 -0.29 0.00 -0.26 0.00 0.00 60.65 59.68 1pus s ILE 20 Cb -0.15 -1.80 -0.01 0.00 1.25 0.00 0.00 42.46 41.75 1pus s ILE 20 CO 0.26 0.55 1.59 0.42 0.24 0.00 0.00 174.94 178.00 1pus s THR 21 N 0.71 3.72 -1.15 8.37 -4.23 0.19 -4.48 115.64 118.77 1pus s THR 21 Ca -0.10 0.77 -0.17 0.00 -1.18 0.00 0.00 61.69 61.01 1pus s THR 21 Cb -0.16 -3.85 0.12 0.00 1.34 0.00 0.00 72.50 69.95 1pus s THR 21 CO 0.01 -0.46 1.44 -0.13 -0.54 0.00 0.00 174.62 174.94 1pus s ARG 22 N 5.00 3.90 -1.56 3.99 0.52 -1.26 -0.55 118.95 128.99 1pus s ARG 22 Ca 0.70 -2.09 -0.06 0.00 -0.52 0.00 0.00 55.73 53.76 1pus s ARG 22 Cb -0.21 -5.18 0.06 0.00 0.52 0.00 0.00 34.95 30.14 1pus s ARG 22 CO 0.31 -1.94 0.39 -2.13 0.02 0.00 0.00 175.30 171.95 1pus n ARG 23 N 6.89 -2.31 -1.32 3.54 3.00 -1.26 0.14 116.66 125.34 1pus n ARG 23 Ca 0.36 0.28 -0.11 0.00 -0.00 0.00 0.00 57.85 58.38 1pus n ARG 23 Cb 0.46 -4.38 -0.05 0.00 0.00 0.00 0.00 32.46 28.49 1pus n ARG 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pus n ALA 24 N -4.42 -0.17 -3.69 5.13 0.00 -1.26 -2.88 120.51 113.22 1pus n ALA 24 Ca -0.19 0.18 -0.22 0.00 0.00 0.00 0.00 53.44 53.21 1pus n ALA 24 Cb 0.63 -1.49 0.04 0.00 0.00 0.00 0.00 19.45 18.63 1pus n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pus n ALA 25 N 1.20 -1.92 -4.12 0.00 0.00 0.38 -4.22 120.51 111.84 1pus n ALA 25 Ca -0.11 -0.10 -0.22 0.00 0.00 0.00 0.00 53.44 53.01 1pus n ALA 25 Cb 0.46 -2.38 -0.02 0.00 0.00 0.00 0.00 19.45 17.51 1pus n ALA 25 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pus n ASP 26 N -3.04 2.61 -1.76 0.00 5.68 -1.14 -5.02 116.55 113.87 1pus n ASP 26 Ca -0.25 -2.50 -0.15 0.00 -0.50 0.00 0.00 54.79 51.38 1pus n ASP 26 Cb 0.66 0.10 0.19 0.00 -1.14 0.00 0.00 41.12 40.92 1pus n ASP 26 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pus n ALA 27 N -2.01 5.06 -3.70 2.12 0.00 -1.26 -4.77 120.51 115.94 1pus n ALA 27 Ca -0.14 -3.02 -0.14 0.00 0.00 0.00 0.00 53.44 50.14 1pus n ALA 27 Cb 0.47 -1.14 -0.14 0.00 0.00 0.00 0.00 19.45 18.64 1pus n ALA 27 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1pus s HIS 28 N -3.29 -0.26 -0.99 0.00 5.65 -1.26 -4.89 115.29 110.25 1pus s HIS 28 Ca 0.52 0.70 -0.03 0.00 0.25 0.00 0.00 55.06 56.50 1pus s HIS 28 Cb 0.45 -0.10 0.00 0.00 -1.18 0.00 0.00 32.58 31.75 1pus s HIS 28 CO 0.06 -0.25 0.84 -1.33 -0.65 0.00 0.00 174.74 173.41 1pus n MET 29 N 4.80 -5.62 0.00 2.88 2.81 -1.26 -4.89 117.12 115.84 1pus n MET 29 Ca -0.15 0.66 0.07 0.00 -1.81 0.00 0.00 57.70 56.47 1pus n MET 29 Cb 0.51 -5.16 0.34 0.00 -0.71 0.00 0.00 33.22 28.21 1pus n MET 29 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1pus n ALA 30 N -3.84 1.74 0.98 3.04 0.00 -1.26 -2.70 120.51 118.47 1pus n ALA 30 Ca -0.14 -0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.27 1pus n ALA 30 Cb 0.60 -1.25 0.09 0.00 0.00 0.00 0.00 19.45 18.90 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 1.58 -0.90 0.00 4.13 -1.22 -3.66 115.26 113.75 1pus n ASN 31 Ca 0.05 -2.11 0.02 0.00 1.68 0.00 0.00 54.58 54.21 1pus n ASN 31 Cb 0.16 -0.33 0.21 0.00 -1.54 0.00 0.00 39.78 38.28 1pus n ASN 31 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1pus n LYS 32 N 0.10 1.99 -1.51 3.52 5.02 -0.84 -2.06 118.16 124.39 1pus n LYS 32 Ca 0.07 -3.05 -0.40 0.00 -2.02 0.00 0.00 58.31 52.91 1pus n LYS 32 Cb 0.32 -1.76 -0.11 0.00 -0.02 0.00 0.00 35.03 33.45 1pus n LYS 32 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1pus n LEU 33 N -1.02 0.90 -4.65 -0.35 0.00 -0.01 -4.23 117.00 107.64 1pus n LEU 33 Ca 0.27 -0.00 -0.30 0.00 0.00 0.00 0.00 56.01 55.98 1pus n LEU 33 Cb 0.91 -1.11 -0.08 0.00 0.00 0.00 0.00 43.42 43.15 1pus n LEU 33 CO 0.13 -0.96 -0.22 -1.61 0.00 0.00 0.00 177.39 174.73 1pus s GLU 34 N 8.69 2.09 0.33 1.96 0.41 0.29 -4.01 118.70 128.46 1pus s GLU 34 Ca 1.25 -2.32 0.10 0.00 -0.41 0.00 0.00 54.97 53.59 1pus s GLU 34 Cb -0.95 -1.05 -0.06 0.00 -1.78 0.00 0.00 34.13 30.29 1pus s GLU 34 CO 0.43 -0.45 -0.12 -0.59 -0.49 0.00 0.00 175.26 174.04 1pus s PHE 35 N -3.04 2.38 1.10 1.61 -0.12 -1.26 0.55 117.98 119.19 1pus s PHE 35 Ca 0.13 -0.45 -0.18 0.00 -0.05 0.00 0.00 56.93 56.37 1pus s PHE 35 Cb 0.01 -1.28 0.08 0.00 -0.63 0.00 0.00 43.02 41.20 1pus s PHE 35 CO 0.08 0.62 -0.03 -0.35 -0.05 0.00 0.00 175.22 175.49 1pus n PRO 36 N -0.75 -1.39 0.00 1.99 -0.04 -1.26 -4.79 135.00 128.76 1pus n PRO 36 Ca -0.05 -0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.02 1pus n PRO 36 Cb 0.63 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 2.05 0.82 2.94 0.55 0.00 -1.25 -2.97 105.19 107.32 1pus n GLY 37 Ca 0.01 -0.79 -0.26 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.67 0.80 0.00 -0.02 0.00 -1.25 -2.72 107.32 102.45 1pus s GLY 38 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 44.72 44.24 1pus s GLY 38 CO 0.00 0.58 0.00 1.17 0.00 0.00 0.00 173.10 174.85 1pus n LYS 39 N 4.54 0.00 0.03 2.90 4.81 -1.26 -4.98 118.16 124.21 1pus n LYS 39 Ca -0.16 0.00 0.22 0.00 -0.87 0.00 0.00 58.31 57.49 1pus n LYS 39 Cb 0.51 0.00 0.73 0.00 0.02 0.00 0.00 35.03 36.29 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 0.45 -0.52 3.15 3.07 -1.83 -2.35 117.51 119.48 1pus h ILE 40 Ca 0.00 0.00 0.06 0.00 1.55 0.00 0.00 64.86 66.47 1pus h ILE 40 Cb 0.00 0.64 -0.09 0.00 -0.27 0.00 0.00 36.82 37.10 1pus h ILE 40 CO 0.00 0.00 -0.53 1.05 -1.05 0.00 0.00 178.15 177.62 1pus h GLU 41 N 0.00 -0.26 0.00 0.16 -0.00 -1.89 -3.35 114.58 109.24 1pus h GLU 41 Ca 0.24 0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.62 1pus h GLU 41 Cb 1.18 0.06 0.00 0.00 -0.00 0.00 0.00 28.75 29.99 1pus h GLU 41 CO -0.00 -0.18 0.00 -0.12 -0.00 0.00 0.00 179.01 178.71 1pus n MET 42 N -5.16 0.00 0.00 1.06 1.56 -0.88 -3.59 117.12 110.10 1pus n MET 42 Ca -0.02 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.41 1pus n MET 42 Cb 0.30 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.67 1pus n MET 42 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1pus n GLY 43 N 0.00 0.00 1.89 -5.12 0.00 -1.26 -5.15 105.19 95.55 1pus n GLY 43 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.10 -3.74 1.61 4.71 -1.24 -5.09 120.64 117.01 1pus n GLU 44 Ca 0.00 -1.26 -0.27 0.00 -0.01 0.00 0.00 57.16 55.61 1pus n GLU 44 Cb 0.00 -0.38 -0.03 0.00 -1.01 0.00 0.00 31.44 30.01 1pus n GLU 44 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1pus s THR 45 N -1.57 5.23 0.60 2.62 2.01 -1.26 -4.75 115.64 118.52 1pus s THR 45 Ca 0.33 -0.41 0.29 0.00 0.31 0.00 0.00 61.69 62.21 1pus s THR 45 Cb -0.02 -3.73 0.41 0.00 0.01 0.00 0.00 72.50 69.17 1pus s THR 45 CO 0.22 -0.15 1.50 1.55 -0.69 0.00 0.00 174.62 177.05 1pus h PRO 46 N 2.06 0.00 0.00 4.92 0.13 -1.99 1.38 132.00 138.50 1pus h PRO 46 Ca -0.48 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.34 1pus h PRO 46 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 1pus h PRO 46 CO 0.68 0.00 -2.17 0.39 -0.23 0.00 0.00 178.00 176.67 1pus n GLU 47 N -3.42 0.61 0.04 0.86 4.71 -1.26 -4.47 120.64 117.72 1pus n GLU 47 Ca 0.20 0.11 0.14 0.00 -0.01 0.00 0.00 57.16 57.59 1pus n GLU 47 Cb 1.29 -1.41 0.54 0.00 -1.01 0.00 0.00 31.44 30.84 1pus n GLU 47 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1pus n GLN 48 N -3.05 0.10 0.18 3.49 6.02 0.02 -3.23 117.38 120.90 1pus n GLN 48 Ca -0.36 0.08 -0.14 0.00 -0.01 0.00 0.00 57.00 56.57 1pus n GLN 48 Cb 0.91 -1.62 -0.08 0.00 1.02 0.00 0.00 30.24 30.47 1pus n GLN 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pus h ALA 49 N 2.82 -0.39 0.04 -1.58 0.00 0.15 0.13 119.26 120.43 1pus h ALA 49 Ca 0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1pus h ALA 49 Cb 0.59 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1pus h ALA 49 CO 0.00 -0.72 -0.35 -0.39 0.00 0.00 0.00 179.25 177.79 1pus h VAL 50 N -0.39 1.60 -0.87 0.00 -1.51 -1.80 -2.11 116.25 111.16 1pus h VAL 50 Ca -0.04 -2.23 0.12 0.00 -1.23 0.00 0.00 66.70 63.33 1pus h VAL 50 Cb 0.31 3.06 -0.07 0.00 -2.13 0.00 0.00 31.29 32.46 1pus h VAL 50 CO 0.05 0.61 0.56 0.58 -1.23 0.00 0.00 177.57 178.15 1pus h VAL 51 N -0.59 0.88 0.02 7.19 2.07 -1.59 1.30 116.25 125.53 1pus h VAL 51 Ca -0.06 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1pus h VAL 51 Cb 1.20 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1pus h VAL 51 CO 0.07 0.14 -0.01 -0.09 0.02 0.00 0.00 177.57 177.70 1pus h ARG 52 N 0.74 -0.02 0.00 1.57 9.65 -0.82 -3.30 114.38 122.20 1pus h ARG 52 Ca 0.42 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.28 1pus h ARG 52 Cb 0.60 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.18 1pus h ARG 52 CO -0.19 0.74 -0.10 0.93 2.80 0.00 0.00 179.97 184.15 1pus h GLU 53 N -0.93 0.00 -0.71 0.20 4.39 -1.04 -2.86 114.58 113.63 1pus h GLU 53 Ca -0.00 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.82 1pus h GLU 53 Cb 0.77 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.34 1pus h GLU 53 CO 0.00 0.10 0.29 1.25 -1.16 0.00 0.00 179.01 179.50 1pus h LEU 54 N 0.00 0.30 -1.40 1.33 5.85 0.16 1.11 115.31 122.66 1pus h LEU 54 Ca -0.00 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1pus h LEU 54 Cb 0.38 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1pus h LEU 54 CO 0.01 0.14 0.23 1.56 -0.34 0.00 0.00 178.44 180.04 1pus h GLN 55 N 0.46 0.63 0.00 1.25 4.20 -1.65 1.60 115.11 121.61 1pus h GLN 55 Ca 0.37 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.94 1pus h GLN 55 Cb 0.51 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1pus h GLN 55 CO -0.35 0.49 -0.35 1.49 -0.67 0.00 0.00 178.83 179.43 1pus h GLU 56 N 0.63 0.00 -0.26 1.46 4.81 -0.21 0.57 114.58 121.58 1pus h GLU 56 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1pus h GLU 56 Cb 0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1pus h GLU 56 CO -0.02 0.35 0.00 0.39 -0.73 0.00 0.00 179.01 179.00 1pus n GLU 57 N -3.26 2.07 0.00 1.92 4.71 0.34 0.19 120.64 126.60 1pus n GLU 57 Ca 0.02 -1.83 0.00 0.00 -0.01 0.00 0.00 57.16 55.33 1pus n GLU 57 Cb 0.62 -1.30 0.00 0.00 -1.01 0.00 0.00 31.44 29.74 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 0.76 0.00 0.00 2.62 0.31 0.53 -4.24 118.33 118.31 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 0.42 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 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 2.03 0.39 1.77 2.92 0.00 0.20 0.66 105.19 113.16 1pus n GLY 59 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.70 -0.61 -5.35 -1.26 -4.84 119.36 103.60 1pus n ILE 60 Ca 0.00 -0.63 -0.37 0.00 -0.27 0.00 0.00 62.75 61.49 1pus n ILE 60 Cb 0.00 -1.37 -0.09 0.00 -1.74 0.00 0.00 39.64 36.45 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 -1.63 3.84 0.16 7.28 -4.23 -1.26 -4.96 115.64 114.84 1pus s THR 61 Ca 0.32 -3.10 0.06 0.00 -1.18 0.00 0.00 61.69 57.79 1pus s THR 61 Cb -0.01 -3.48 -0.04 0.00 1.34 0.00 0.00 72.50 70.30 1pus s THR 61 CO 0.21 -0.91 0.05 -2.16 -0.54 0.00 0.00 174.62 171.27 1pus s PRO 62 N -0.27 2.61 -1.24 3.99 0.04 -1.26 -3.00 135.00 135.87 1pus s PRO 62 Ca 0.19 -0.98 -0.20 0.00 0.04 0.00 0.00 61.00 60.04 1pus s PRO 62 Cb -0.18 -2.49 -0.01 0.00 0.04 0.00 0.00 34.50 31.86 1pus s PRO 62 CO -0.05 0.48 1.84 1.04 0.04 0.00 0.00 177.00 180.35 1pus n GLN 63 N -0.12 2.42 -4.08 4.56 6.02 0.38 -4.84 117.38 121.72 1pus n GLN 63 Ca -0.09 -2.87 -0.29 0.00 -0.01 0.00 0.00 57.00 53.74 1pus n GLN 63 Cb 0.55 -3.60 -0.17 0.00 1.02 0.00 0.00 30.24 28.04 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 7.46 1.89 0.00 1.08 2.46 -1.22 0.16 115.29 127.12 1pus s HIS 64 Ca 0.61 -0.99 0.00 0.00 0.47 0.00 0.00 55.06 55.14 1pus s HIS 64 Cb 0.02 -1.43 0.00 0.00 -0.13 0.00 0.00 32.58 31.04 1pus s HIS 64 CO 0.10 -0.57 0.00 0.34 -2.47 0.00 0.00 174.74 172.14 1pus n PHE 65 N 4.70 0.00 0.00 3.88 7.35 -1.01 -4.93 117.46 127.45 1pus n PHE 65 Ca -0.16 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.53 1pus n PHE 65 Cb 0.50 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.33 1pus n PHE 65 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1pus n SER 66 N 0.00 -0.09 -4.69 -2.13 2.88 -1.22 -3.95 113.62 104.42 1pus n SER 66 Ca 0.00 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.17 1pus n SER 66 Cb 0.00 0.36 -0.08 0.00 -0.75 0.00 0.00 64.21 63.74 1pus n SER 66 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1pus s LEU 67 N -0.99 4.17 -0.21 2.46 1.98 -1.26 0.10 118.68 124.94 1pus s LEU 67 Ca 0.00 0.43 -0.18 0.00 -2.89 0.00 0.00 54.13 51.48 1pus s LEU 67 Cb 0.00 -2.38 -0.15 0.00 0.66 0.00 0.00 46.19 44.32 1pus s LEU 67 CO 0.00 0.01 0.03 0.33 -1.89 0.00 0.00 176.35 174.83 1pus n PHE 68 N 4.16 0.78 -3.60 5.38 -0.00 -1.03 -4.66 117.46 118.49 1pus n PHE 68 Ca -0.11 0.34 -0.04 0.00 -0.00 0.00 0.00 57.45 57.64 1pus n PHE 68 Cb 0.51 -1.02 -0.02 0.00 -0.00 0.00 0.00 39.48 38.96 1pus n PHE 68 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 1pus s GLU 69 N -2.39 0.62 -0.06 -4.13 2.12 -0.16 -5.00 118.70 109.69 1pus s GLU 69 Ca -0.29 -0.28 -0.03 0.00 0.36 0.00 0.00 54.97 54.73 1pus s GLU 69 Cb 0.07 0.25 0.03 0.00 0.26 0.00 0.00 34.13 34.74 1pus s GLU 69 CO 0.51 -0.28 0.14 -1.59 -0.54 0.00 0.00 175.26 173.50 1pus s LYS 70 N -2.76 0.10 -0.10 4.30 -2.85 -1.26 -0.09 119.74 117.08 1pus s LYS 70 Ca 0.10 0.32 0.03 0.00 -1.00 0.00 0.00 55.97 55.42 1pus s LYS 70 Cb 0.00 -0.13 0.01 0.00 -2.06 0.00 0.00 37.83 35.65 1pus s LYS 70 CO -0.05 -0.14 -0.20 -1.17 0.10 0.00 0.00 175.35 173.90 1pus s LEU 71 N 0.94 1.94 -0.27 2.77 2.96 0.14 -4.96 118.68 122.20 1pus s LEU 71 Ca -0.07 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.35 1pus s LEU 71 Cb -0.09 -1.24 0.05 0.00 0.50 0.00 0.00 46.19 45.41 1pus s LEU 71 CO -0.05 0.10 -0.06 -0.70 -1.32 0.00 0.00 176.35 174.32 1pus s GLU 72 N 0.58 2.40 0.00 1.98 2.12 -1.26 -0.66 118.70 123.87 1pus s GLU 72 Ca -0.14 -1.26 -0.01 0.00 0.36 0.00 0.00 54.97 53.91 1pus s GLU 72 Cb -0.17 -3.02 -0.01 0.00 0.26 0.00 0.00 34.13 31.20 1pus s GLU 72 CO 0.05 -0.57 0.02 1.52 -0.54 0.00 0.00 175.26 175.73 1pus s TYR 73 N 1.19 0.11 -0.13 5.30 1.13 -1.17 -5.01 117.35 118.78 1pus s TYR 73 Ca -0.06 -0.23 -0.01 0.00 -1.41 0.00 0.00 57.07 55.35 1pus s TYR 73 Cb -0.19 -0.09 -0.02 0.00 -1.10 0.00 0.00 41.96 40.55 1pus s TYR 73 CO -0.03 -0.13 -0.08 -1.83 -2.51 0.00 0.00 175.55 170.96 1pus s GLU 74 N -0.87 3.39 0.64 -3.49 -1.05 -1.26 -2.67 118.70 113.39 1pus s GLU 74 Ca -0.10 -0.59 -0.10 0.00 -0.15 0.00 0.00 54.97 54.04 1pus s GLU 74 Cb -0.06 -2.74 -0.00 0.00 -0.44 0.00 0.00 34.13 30.89 1pus s GLU 74 CO -0.00 0.31 1.01 -0.06 0.95 0.00 0.00 175.26 177.47 1pus s PHE 75 N 0.14 3.39 -0.76 4.83 0.08 0.39 -4.88 117.98 121.18 1pus s PHE 75 Ca -0.04 0.99 -0.19 0.00 0.12 0.00 0.00 56.93 57.81 1pus s PHE 75 Cb -0.14 -2.85 -0.17 0.00 -0.57 0.00 0.00 43.02 39.28 1pus s PHE 75 CO 0.04 -0.92 1.89 -0.35 -0.10 0.00 0.00 175.22 175.78 1pus n PRO 76 N -2.79 0.14 -0.45 0.24 -0.04 -1.26 0.28 135.00 131.12 1pus n PRO 76 Ca 0.06 -1.00 0.00 0.00 -0.04 0.00 0.00 63.50 62.52 1pus n PRO 76 Cb 0.56 -2.93 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 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 14.81 -1.36 -3.56 3.54 -0.08 -1.26 -5.03 116.55 123.61 1pus n ASP 77 Ca 0.34 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.33 1pus n ASP 77 Cb 0.44 -0.23 -0.13 0.00 2.34 0.00 0.00 41.12 43.54 1pus n ASP 77 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1pus s ARG 78 N -0.60 0.57 -0.18 -0.67 3.52 0.14 -4.54 118.95 117.19 1pus s ARG 78 Ca 0.00 -1.16 -0.29 0.00 -0.13 0.00 0.00 55.73 54.15 1pus s ARG 78 Cb 0.00 -1.50 -0.01 0.00 -1.56 0.00 0.00 34.95 31.88 1pus s ARG 78 CO 0.00 -1.12 1.22 -1.58 -0.81 0.00 0.00 175.30 173.01 1pus s HIS 79 N 1.34 2.94 0.06 5.12 5.65 -1.21 0.15 115.29 129.33 1pus s HIS 79 Ca 0.14 1.09 0.06 0.00 0.25 0.00 0.00 55.06 56.61 1pus s HIS 79 Cb -0.20 -3.47 -0.03 0.00 -1.18 0.00 0.00 32.58 27.69 1pus s HIS 79 CO -0.14 -1.46 -0.17 0.96 -0.65 0.00 0.00 174.74 173.28 1pus s ILE 80 N 3.48 1.40 -0.22 0.89 -4.36 -1.09 -0.14 121.20 121.16 1pus s ILE 80 Ca 0.53 -1.22 -0.03 0.00 -0.26 0.00 0.00 60.65 59.67 1pus s ILE 80 Cb -0.20 -1.26 0.00 0.00 1.25 0.00 0.00 42.46 42.25 1pus s ILE 80 CO 0.13 0.02 -0.06 0.42 0.24 0.00 0.00 174.94 175.69 1pus s THR 81 N -0.96 3.12 -0.32 8.37 -4.23 -1.16 -3.07 115.64 117.40 1pus s THR 81 Ca 0.04 -0.67 -0.08 0.00 -1.18 0.00 0.00 61.69 59.80 1pus s THR 81 Cb -0.09 -2.45 0.01 0.00 1.34 0.00 0.00 72.50 71.31 1pus s THR 81 CO 0.02 0.38 0.13 -0.22 -0.54 0.00 0.00 174.62 174.39 1pus s LEU 82 N 1.42 4.11 -0.20 4.79 2.96 0.17 -0.82 118.68 131.12 1pus s LEU 82 Ca 0.04 -0.72 -0.03 0.00 -0.22 0.00 0.00 54.13 53.20 1pus s LEU 82 Cb -0.15 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 1pus s LEU 82 CO -0.05 -0.23 -0.07 0.26 -1.32 0.00 0.00 176.35 174.94 1pus s TRP 83 N 1.54 2.93 -0.36 5.38 0.52 -0.93 0.26 118.94 128.28 1pus s TRP 83 Ca 0.03 -0.87 -0.09 0.00 0.02 0.00 0.00 56.10 55.18 1pus s TRP 83 Cb -0.18 -2.04 0.03 0.00 -1.15 0.00 0.00 33.47 30.14 1pus s TRP 83 CO 0.04 -0.46 0.17 -0.06 0.02 0.00 0.00 176.95 176.66 1pus s PHE 84 N 1.19 3.25 0.04 -1.98 0.40 0.88 0.11 117.98 121.86 1pus s PHE 84 Ca 0.02 -1.17 -0.00 0.00 -0.60 0.00 0.00 56.93 55.18 1pus s PHE 84 Cb -0.14 -2.39 -0.04 0.00 0.51 0.00 0.00 43.02 40.96 1pus s PHE 84 CO -0.02 -0.69 0.17 -1.58 0.70 0.00 0.00 175.22 173.80 1pus s TRP 85 N 1.49 3.45 0.01 0.36 0.52 0.97 -0.99 118.94 124.74 1pus s TRP 85 Ca 0.00 0.25 -0.17 0.00 0.02 0.00 0.00 56.10 56.20 1pus s TRP 85 Cb -0.19 -1.75 -0.06 0.00 -1.15 0.00 0.00 33.47 30.31 1pus s TRP 85 CO 0.05 0.59 0.47 -1.17 0.02 0.00 0.00 176.95 176.92 1pus s LEU 86 N -2.26 4.46 0.05 2.99 2.96 0.29 -1.82 118.68 125.36 1pus s LEU 86 Ca 0.31 1.04 0.07 0.00 -0.22 0.00 0.00 54.13 55.33 1pus s LEU 86 Cb -0.13 -2.71 -0.03 0.00 0.50 0.00 0.00 46.19 43.83 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 -0.81 1.70 -0.08 1.68 1.01 -1.13 -2.39 120.40 120.38 1pus s VAL 87 Ca 0.26 -1.24 0.05 0.00 0.00 0.00 0.00 61.98 61.05 1pus s VAL 87 Cb -0.17 -1.48 -0.09 0.00 0.00 0.00 0.00 36.38 34.64 1pus s VAL 87 CO 0.15 0.19 -0.00 -0.62 0.00 0.00 0.00 175.10 174.81 1pus n GLU 88 N 1.77 2.17 -3.66 2.72 -0.58 -0.62 -3.81 120.64 118.63 1pus n GLU 88 Ca -0.17 0.01 -0.08 0.00 -0.42 0.00 0.00 57.16 56.50 1pus n GLU 88 Cb 0.53 -1.20 -0.02 0.00 -0.57 0.00 0.00 31.44 30.19 1pus n GLU 88 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1pus s ARG 89 N -2.19 1.32 -0.12 3.49 6.06 0.42 -4.38 118.95 123.55 1pus s ARG 89 Ca -0.06 -0.64 -0.08 0.00 -2.50 0.00 0.00 55.73 52.45 1pus s ARG 89 Cb 0.03 0.51 0.04 0.00 0.06 0.00 0.00 34.95 35.58 1pus s ARG 89 CO 0.29 -0.59 0.30 1.67 -2.50 0.00 0.00 175.30 174.47 1pus s TRP 90 N -3.55 -0.39 0.32 5.12 -2.14 -1.24 0.14 118.94 117.20 1pus s TRP 90 Ca 0.08 0.90 -0.26 0.00 2.66 0.00 0.00 56.10 59.48 1pus s TRP 90 Cb -0.03 0.12 -0.10 0.00 -3.10 0.00 0.00 33.47 30.36 1pus s TRP 90 CO -0.02 -0.23 0.94 -1.21 -2.66 0.00 0.00 176.95 173.76 1pus s GLU 91 N 0.96 4.57 7.05 3.25 0.41 -1.16 -4.78 118.70 128.99 1pus s GLU 91 Ca -0.07 1.31 0.00 0.00 -0.41 0.00 0.00 54.97 55.81 1pus s GLU 91 Cb -0.07 -2.80 0.00 0.00 -1.78 0.00 0.00 34.13 29.48 1pus s GLU 91 CO -0.07 0.28 0.00 0.41 -0.49 0.00 0.00 175.26 175.39 1pus n GLY 92 N 0.56 2.92 2.97 -1.39 0.00 -1.26 -4.57 105.19 104.41 1pus n GLY 92 Ca 0.02 0.28 -0.17 0.00 0.00 0.00 0.00 46.02 46.14 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 0.57 0.01 1.61 2.02 -1.26 -5.13 118.70 116.51 1pus s GLU 93 Ca 0.00 -0.21 -0.30 0.00 0.02 0.00 0.00 54.97 54.47 1pus s GLU 93 Cb 0.00 -0.55 -0.04 0.00 0.10 0.00 0.00 34.13 33.64 1pus s GLU 93 CO 0.00 0.11 1.12 -2.14 0.02 0.00 0.00 175.26 174.37 1pus s PRO 94 N -0.01 4.46 0.25 0.39 0.02 -1.26 -4.64 135.00 134.20 1pus s PRO 94 Ca 0.01 1.62 0.00 0.00 0.02 0.00 0.00 61.00 62.64 1pus s PRO 94 Cb -0.04 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 31.05 1pus s PRO 94 CO -0.00 -0.23 0.00 -2.67 -0.33 0.00 0.00 177.00 173.77 1pus n TRP 95 N 4.21 -2.06 0.00 6.54 4.27 -0.09 -5.04 117.44 125.26 1pus n TRP 95 Ca 0.08 0.36 0.00 0.00 -3.89 0.00 0.00 57.50 54.06 1pus n TRP 95 Cb 0.48 0.50 0.00 0.00 -1.36 0.00 0.00 31.31 30.93 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 1.79 0.34 0.00 -1.67 0.00 0.21 -3.31 105.19 102.56 1pus n GLY 96 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 0.09 1.61 4.81 0.50 -4.58 118.16 120.59 1pus n LYS 97 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.41 1pus n LYS 97 Cb 0.00 0.00 0.20 0.00 0.02 0.00 0.00 35.03 35.25 1pus n LYS 97 CO 0.00 0.00 0.00 1.05 1.17 0.00 0.00 177.40 179.62 1pus h GLU 98 N 0.00 0.23 -1.96 1.64 4.11 -1.72 -3.47 114.58 113.41 1pus h GLU 98 Ca 0.00 -0.12 -0.21 0.00 0.07 0.00 0.00 59.36 59.10 1pus h GLU 98 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1pus h GLU 98 CO 0.00 0.65 -0.29 0.41 0.07 0.00 0.00 179.01 179.85 1pus n GLY 99 N -0.08 -0.01 2.49 1.06 0.00 -1.26 -5.01 105.19 102.39 1pus n GLY 99 Ca -0.02 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 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 -4.79 0.49 -0.10 1.61 -0.21 -1.26 -4.80 119.66 110.60 1pus s GLN 100 Ca 0.07 -1.16 -0.40 0.00 0.02 0.00 0.00 55.36 53.89 1pus s GLN 100 Cb -0.03 -1.23 -0.18 0.00 1.00 0.00 0.00 33.01 32.57 1pus s GLN 100 CO 0.08 -1.18 1.39 -2.30 -2.12 0.00 0.00 175.29 171.16 1pus n PRO 101 N 4.26 0.67 -4.40 2.91 -0.02 -1.26 -4.62 135.00 132.53 1pus n PRO 101 Ca 0.09 0.24 -0.22 0.00 -2.02 0.00 0.00 63.50 61.59 1pus n PRO 101 Cb 0.38 -1.83 -0.08 0.00 -0.02 0.00 0.00 33.50 31.95 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 1.34 2.37 0.04 -1.23 0.00 -1.26 -3.74 107.32 104.85 1pus s GLY 102 Ca 0.92 -1.62 -0.01 0.00 0.00 0.00 0.00 44.72 44.01 1pus s GLY 102 CO 0.59 -1.66 -0.02 1.85 0.00 0.00 0.00 173.10 173.85 1pus s GLU 103 N -3.67 0.53 -0.42 2.90 2.12 -1.26 -5.02 118.70 113.88 1pus s GLU 103 Ca 0.32 -1.04 -0.28 0.00 0.36 0.00 0.00 54.97 54.33 1pus s GLU 103 Cb 0.03 0.18 -0.02 0.00 0.26 0.00 0.00 34.13 34.59 1pus s GLU 103 CO 0.19 -0.10 1.82 -1.58 -0.54 0.00 0.00 175.26 175.06 1pus s TRP 104 N -3.21 1.76 0.11 5.30 0.51 -1.26 -4.10 118.94 118.04 1pus s TRP 104 Ca 0.00 0.71 0.10 0.00 -2.12 0.00 0.00 56.10 54.80 1pus s TRP 104 Cb 0.03 -4.10 -0.04 0.00 -0.81 0.00 0.00 33.47 28.55 1pus s TRP 104 CO -0.07 -2.72 -0.27 0.00 -0.51 0.00 0.00 176.95 173.38 1pus s MET 105 N 6.12 1.52 -0.18 4.98 0.23 -1.22 -4.93 119.30 125.82 1pus s MET 105 Ca 0.76 -1.28 -0.29 0.00 -1.03 0.00 0.00 55.69 53.85 1pus s MET 105 Cb -0.19 -1.93 -0.04 0.00 -1.53 0.00 0.00 34.83 31.14 1pus s MET 105 CO 0.30 0.47 1.82 -1.54 -2.03 0.00 0.00 175.02 174.03 1pus s SER 106 N -1.85 6.17 0.41 -1.18 1.04 -1.26 -0.24 113.70 116.79 1pus s SER 106 Ca 0.14 1.85 0.25 0.00 0.48 0.00 0.00 55.95 58.67 1pus s SER 106 Cb -0.10 -2.53 0.61 0.00 0.10 0.00 0.00 66.02 64.10 1pus s SER 106 CO 0.05 -1.39 1.70 0.25 0.98 0.00 0.00 173.24 174.83 1pus h LEU 107 N 12.31 0.00 -2.53 2.42 5.85 -1.83 -3.21 115.31 128.32 1pus h LEU 107 Ca -0.38 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1pus h LEU 107 Cb 1.19 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 1pus h LEU 107 CO 0.98 0.00 0.16 0.58 -0.34 0.00 0.00 178.44 179.82 1pus h VAL 108 N 0.00 0.01 -0.96 1.05 2.07 -1.89 -2.27 116.25 114.26 1pus h VAL 108 Ca 0.00 0.00 -0.45 0.00 0.82 0.00 0.00 66.70 67.07 1pus h VAL 108 Cb 0.85 0.85 -0.41 0.00 -1.52 0.00 0.00 31.29 31.06 1pus h VAL 108 CO 0.00 0.00 -0.95 0.61 0.02 0.00 0.00 177.57 177.25 1pus n GLY 109 N -1.15 4.15 3.74 2.17 0.00 -1.21 -5.00 105.19 107.89 1pus n GLY 109 Ca -0.02 -2.03 -0.36 0.00 0.00 0.00 0.00 46.02 43.61 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 -3.52 3.58 -0.12 0.99 0.20 -0.86 -5.02 118.68 113.94 1pus s LEU 110 Ca 0.39 2.48 0.01 0.00 0.69 0.00 0.00 54.13 57.71 1pus s LEU 110 Cb 0.40 -4.61 -0.01 0.00 -0.43 0.00 0.00 46.19 41.54 1pus s LEU 110 CO -0.04 -1.86 -0.16 0.20 -0.29 0.00 0.00 176.35 174.20 1pus s ASN 111 N -1.57 3.73 0.26 3.68 0.02 -1.26 -4.98 114.94 114.82 1pus s ASN 111 Ca 0.79 -0.40 0.25 0.00 -1.02 0.00 0.00 52.86 52.48 1pus s ASN 111 Cb -0.33 -1.55 0.96 0.00 0.02 0.00 0.00 41.25 40.34 1pus s ASN 111 CO 0.37 0.16 1.74 0.00 0.02 0.00 0.00 177.10 179.39 1pus n ALA 112 N 3.57 1.80 -0.05 0.60 0.00 -1.26 -2.79 120.51 122.38 1pus n ALA 112 Ca -0.18 0.07 -0.15 0.00 0.00 0.00 0.00 53.44 53.18 1pus n ALA 112 Cb 0.53 -1.42 -0.13 0.00 0.00 0.00 0.00 19.45 18.44 1pus n ALA 112 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1pus h ASP 113 N 0.00 0.07 -0.11 0.00 3.58 -1.94 -3.34 116.42 114.68 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 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 1pus h ASP 113 CO 0.00 0.98 -0.21 -2.24 -2.88 0.00 0.00 179.24 174.89 1pus h ASP 114 N -0.82 0.52 -3.63 2.28 2.03 -1.84 -3.43 116.42 111.53 1pus h ASP 114 Ca -0.02 -0.16 -0.46 0.00 -0.73 0.00 0.00 57.03 55.66 1pus h ASP 114 Cb 1.01 -0.14 0.10 0.00 -0.83 0.00 0.00 39.33 39.47 1pus h ASP 114 CO 0.02 0.74 0.27 0.72 -1.03 0.00 0.00 179.24 179.96 1pus s PHE 115 N -4.59 2.37 0.05 4.15 -0.71 -1.12 -0.83 117.98 117.31 1pus s PHE 115 Ca -0.07 0.32 -0.31 0.00 -1.04 0.00 0.00 56.93 55.83 1pus s PHE 115 Cb 0.14 -3.41 -0.06 0.00 -1.21 0.00 0.00 43.02 38.47 1pus s PHE 115 CO 0.79 -1.79 1.36 -1.25 -1.34 0.00 0.00 175.22 172.99 1pus s PRO 116 N -5.41 4.32 0.47 1.99 0.04 -0.88 -4.39 135.00 131.15 1pus s PRO 116 Ca 0.65 1.97 0.32 0.00 0.04 0.00 0.00 61.00 63.98 1pus s PRO 116 Cb -0.08 -3.42 1.57 0.00 0.04 0.00 0.00 34.50 32.61 1pus s PRO 116 CO 0.47 -0.47 1.97 -1.00 0.04 0.00 0.00 177.00 178.00 1pus h PRO 117 N 7.29 0.00 0.00 0.56 0.13 -1.79 -2.28 132.00 135.92 1pus h PRO 117 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1pus h PRO 117 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1pus h PRO 117 CO 0.87 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.64 1pus n ALA 118 N -1.94 1.84 -1.55 -0.56 0.00 -1.26 -2.79 120.51 114.25 1pus n ALA 118 Ca -0.01 -0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.41 1pus n ALA 118 Cb 0.15 -1.29 0.21 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.47 1.90 0.02 0.00 5.03 -0.86 -4.75 115.26 115.13 1pus n ASN 119 Ca 0.05 -3.85 -0.18 0.00 0.87 0.00 0.00 54.58 51.47 1pus n ASN 119 Cb 0.20 -0.55 -0.11 0.00 -1.02 0.00 0.00 39.78 38.30 1pus n ASN 119 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1pus h GLU 120 N 0.96 0.48 -1.05 3.52 4.39 -1.68 -3.14 114.58 118.07 1pus h GLU 120 Ca 0.05 -0.53 0.33 0.00 0.34 0.00 0.00 59.36 59.55 1pus h GLU 120 Cb 1.14 0.15 -0.14 0.00 -0.10 0.00 0.00 28.75 29.80 1pus h GLU 120 CO 0.08 1.17 0.62 -1.35 -1.16 0.00 0.00 179.01 178.37 1pus h PRO 121 N 0.01 0.29 0.02 2.33 0.11 -1.85 1.66 132.00 134.57 1pus h PRO 121 Ca -0.09 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 1pus h PRO 121 Cb 1.43 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1pus h PRO 121 CO 0.14 0.19 -0.01 0.28 -0.21 0.00 0.00 178.00 178.40 1pus h VAL 122 N 0.30 1.50 -0.09 3.15 2.07 -1.94 -3.31 116.25 117.92 1pus h VAL 122 Ca 0.73 -1.89 -0.05 0.00 0.82 0.00 0.00 66.70 66.31 1pus h VAL 122 Cb 1.78 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 34.26 1pus h VAL 122 CO -0.54 0.47 -0.19 0.40 0.02 0.00 0.00 177.57 177.72 1pus h ILE 123 N -0.88 1.19 -0.56 4.57 1.08 -1.13 -2.34 117.51 119.43 1pus h ILE 123 Ca -0.00 -0.85 0.15 0.00 -0.39 0.00 0.00 64.86 63.76 1pus h ILE 123 Cb 0.78 1.34 -0.03 0.00 -3.07 0.00 0.00 36.82 35.84 1pus h ILE 123 CO 0.00 0.26 0.40 0.00 -0.69 0.00 0.00 178.15 178.12 1pus h ALA 124 N 1.67 2.41 0.17 1.87 0.00 0.23 1.60 119.26 127.21 1pus h ALA 124 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1pus h ALA 124 Cb 0.43 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1pus h ALA 124 CO 0.03 -0.56 -0.08 -0.22 0.00 0.00 0.00 179.25 178.42 1pus h LYS 125 N 0.09 -0.22 0.05 0.00 3.11 -1.53 -3.15 116.57 114.92 1pus h LYS 125 Ca 0.27 0.01 -0.23 0.00 -2.81 0.00 0.00 60.65 57.89 1pus h LYS 125 Cb 0.94 0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 32.21 1pus h LYS 125 CO -0.03 0.19 -1.04 1.25 -2.81 0.00 0.00 179.45 177.02 1pus h LEU 126 N -0.72 0.27 -0.83 5.20 7.12 -1.45 -3.30 115.31 121.60 1pus h LEU 126 Ca -0.02 -0.26 0.13 0.00 0.13 0.00 0.00 57.88 57.86 1pus h LEU 126 Cb 0.51 -0.09 -0.09 0.00 -0.53 0.00 0.00 40.66 40.46 1pus h LEU 126 CO 0.04 1.14 0.44 0.50 -0.13 0.00 0.00 178.44 180.43 1pus h LYS 127 N 0.08 0.64 0.00 1.25 3.64 0.22 0.99 116.57 123.39 1pus h LYS 127 Ca -0.07 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1pus h LYS 127 Cb 1.73 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.41 1pus h LYS 127 CO 0.16 0.43 0.00 -2.13 -2.27 0.00 0.00 179.45 175.64 1pus n ARG 128 N -4.84 0.02 -0.34 1.90 0.63 -1.19 -5.00 116.66 107.85 1pus n ARG 128 Ca 0.16 0.34 0.00 0.00 -0.92 0.00 0.00 57.85 57.43 1pus n ARG 128 Cb 0.38 -1.55 0.00 0.00 0.45 0.00 0.00 32.46 31.74 1pus n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40