#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 3.42 -0.01 0.03 2.20 -0.90 -5.05 119.74 119.43 1pus s LYS 2 Ca 0.00 -0.32 -0.00 0.00 -0.36 0.00 0.00 55.97 55.29 1pus s LYS 2 Cb 0.00 -3.02 0.01 0.00 -1.51 0.00 0.00 37.83 33.30 1pus s LYS 2 CO 0.00 0.58 0.01 0.15 -0.36 0.00 0.00 175.35 175.73 1pus s LYS 3 N -0.52 -0.01 -0.09 4.03 1.02 -1.26 -0.29 119.74 122.62 1pus s LYS 3 Ca 0.10 0.05 -0.06 0.00 0.02 0.00 0.00 55.97 56.08 1pus s LYS 3 Cb -0.12 -0.06 0.03 0.00 -0.52 0.00 0.00 37.83 37.16 1pus s LYS 3 CO 0.02 -0.04 0.22 -0.48 -0.92 0.00 0.00 175.35 174.15 1pus s LEU 4 N 0.27 0.85 0.06 3.17 0.05 0.27 -4.85 118.68 118.49 1pus s LEU 4 Ca -0.02 0.46 0.01 0.00 0.05 0.00 0.00 54.13 54.62 1pus s LEU 4 Cb -0.03 0.71 -0.04 0.00 -2.05 0.00 0.00 46.19 44.78 1pus s LEU 4 CO -0.01 -0.12 0.14 -1.10 -0.55 0.00 0.00 176.35 174.72 1pus s GLN 5 N 0.64 3.17 -0.12 1.48 -0.21 -1.26 -2.05 119.66 121.31 1pus s GLN 5 Ca -0.04 -0.54 -0.05 0.00 0.02 0.00 0.00 55.36 54.76 1pus s GLN 5 Cb -0.06 -2.90 0.06 0.00 1.00 0.00 0.00 33.01 31.12 1pus s GLN 5 CO -0.04 0.60 0.24 0.42 -2.12 0.00 0.00 175.29 174.40 1pus s ILE 6 N -1.41 -0.37 0.02 1.08 1.09 0.18 -3.54 121.20 118.24 1pus s ILE 6 Ca 0.31 0.29 0.07 0.00 -1.10 0.00 0.00 60.65 60.22 1pus s ILE 6 Cb -0.13 -0.41 -0.02 0.00 -1.06 0.00 0.00 42.46 40.84 1pus s ILE 6 CO 0.23 0.12 -0.20 0.00 -0.10 0.00 0.00 174.94 174.99 1pus s ALA 7 N 2.35 1.72 0.11 9.38 0.00 -1.26 -1.15 121.76 132.92 1pus s ALA 7 Ca 0.01 -0.99 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 1pus s ALA 7 Cb -0.12 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 1pus s ALA 7 CO -0.08 0.40 0.15 0.14 0.00 0.00 0.00 175.76 176.37 1pus s VAL 8 N -0.70 0.13 -0.09 0.00 -7.23 0.28 -1.49 120.40 111.30 1pus s VAL 8 Ca 0.07 -1.49 -0.03 0.00 -1.81 0.00 0.00 61.98 58.72 1pus s VAL 8 Cb -0.08 -1.65 0.05 0.00 0.56 0.00 0.00 36.38 35.25 1pus s VAL 8 CO 0.01 -0.58 0.17 -0.83 -0.31 0.00 0.00 175.10 173.57 1pus s GLY 9 N -2.94 -0.00 -0.39 2.32 0.00 -0.47 -0.01 107.32 105.83 1pus s GLY 9 Ca 0.12 0.66 -0.28 0.00 0.00 0.00 0.00 44.72 45.22 1pus s GLY 9 CO -0.05 1.49 1.66 -0.42 0.00 0.00 0.00 173.10 175.78 1pus s ILE 10 N 1.93 3.62 -0.10 0.90 -1.09 -0.99 -4.42 121.20 121.06 1pus s ILE 10 Ca -0.01 0.61 -0.30 0.00 -2.23 0.00 0.00 60.65 58.72 1pus s ILE 10 Cb -0.12 -3.88 -0.04 0.00 -1.58 0.00 0.00 42.46 36.84 1pus s ILE 10 CO -0.06 -0.60 1.47 -0.63 -1.23 0.00 0.00 174.94 173.89 1pus s ILE 11 N 6.55 3.90 -0.18 2.92 1.01 -1.26 -2.46 121.20 131.68 1pus s ILE 11 Ca 0.72 1.10 -0.27 0.00 0.00 0.00 0.00 60.65 62.20 1pus s ILE 11 Cb -0.18 -3.71 -0.01 0.00 0.01 0.00 0.00 42.46 38.57 1pus s ILE 11 CO 0.32 -0.09 0.90 -0.13 0.00 0.00 0.00 174.94 175.94 1pus s ARG 12 N 3.69 4.29 0.25 2.79 1.81 -1.24 -2.84 118.95 127.71 1pus s ARG 12 Ca 0.65 1.13 -0.04 0.00 -1.72 0.00 0.00 55.73 55.75 1pus s ARG 12 Cb -0.28 -3.59 0.06 0.00 -0.45 0.00 0.00 34.95 30.68 1pus s ARG 12 CO 0.23 -0.41 0.34 -1.71 -0.68 0.00 0.00 175.30 173.07 1pus n ASN 13 N 5.52 0.07 -0.10 0.23 4.05 0.56 -3.15 115.26 122.43 1pus n ASN 13 Ca 0.07 -1.15 0.15 0.00 0.45 0.00 0.00 54.58 54.10 1pus n ASN 13 Cb 0.48 -0.26 0.82 0.00 1.23 0.00 0.00 39.78 42.05 1pus n ASN 13 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1pus n GLU 14 N -1.71 1.05 -2.62 1.20 0.00 -1.26 -3.95 120.64 113.35 1pus n GLU 14 Ca 0.04 -0.21 -0.13 0.00 0.00 0.00 0.00 57.16 56.87 1pus n GLU 14 Cb 0.15 -1.50 0.02 0.00 0.00 0.00 0.00 31.44 30.12 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 -0.79 2.15 -1.70 4.31 5.15 -1.26 -4.94 115.26 118.18 1pus n ASN 15 Ca 0.21 -2.91 -0.09 0.00 -0.60 0.00 0.00 54.58 51.20 1pus n ASN 15 Cb 0.18 -0.51 -0.02 0.00 -0.53 0.00 0.00 39.78 38.90 1pus n ASN 15 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1pus n ASN 16 N -0.17 -2.57 -4.57 1.20 6.94 -1.25 -4.91 115.26 109.93 1pus n ASN 16 Ca 0.15 0.24 -0.27 0.00 -0.02 0.00 0.00 54.58 54.69 1pus n ASN 16 Cb 0.79 -2.43 -0.09 0.00 -2.36 0.00 0.00 39.78 35.68 1pus n ASN 16 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 1pus s GLU 17 N -3.58 2.07 0.02 -3.83 -1.05 -1.26 -4.43 118.70 106.63 1pus s GLU 17 Ca 0.00 -1.24 0.05 0.00 -0.15 0.00 0.00 54.97 53.63 1pus s GLU 17 Cb 0.00 -2.18 -0.02 0.00 -0.44 0.00 0.00 34.13 31.50 1pus s GLU 17 CO 0.00 0.44 -0.16 0.42 0.95 0.00 0.00 175.26 176.92 1pus s ILE 18 N -1.65 1.24 -0.22 1.83 1.01 0.38 0.21 121.20 124.00 1pus s ILE 18 Ca 0.24 -0.89 -0.19 0.00 0.00 0.00 0.00 60.65 59.81 1pus s ILE 18 Cb -0.09 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 1pus s ILE 18 CO 0.15 0.17 0.55 0.12 0.00 0.00 0.00 174.94 175.93 1pus s PHE 19 N -0.64 3.34 -0.08 3.97 2.19 -1.13 -1.89 117.98 123.74 1pus s PHE 19 Ca 0.04 0.78 0.04 0.00 0.33 0.00 0.00 56.93 58.12 1pus s PHE 19 Cb -0.07 -2.72 -0.01 0.00 -1.31 0.00 0.00 43.02 38.91 1pus s PHE 19 CO 0.01 -0.18 -0.22 0.96 1.83 0.00 0.00 175.22 177.62 1pus s ILE 20 N 1.92 2.28 -0.21 3.12 -4.36 -1.23 -4.34 121.20 118.38 1pus s ILE 20 Ca 0.24 -0.97 -0.29 0.00 -0.26 0.00 0.00 60.65 59.37 1pus s ILE 20 Cb -0.16 -1.86 -0.02 0.00 1.25 0.00 0.00 42.46 41.67 1pus s ILE 20 CO 0.09 0.56 1.54 0.42 0.24 0.00 0.00 174.94 177.80 1pus s THR 21 N 0.01 3.80 0.44 8.37 -4.23 -0.01 -4.22 115.64 119.82 1pus s THR 21 Ca -0.08 0.92 0.06 0.00 -1.18 0.00 0.00 61.69 61.41 1pus s THR 21 Cb -0.15 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 69.88 1pus s THR 21 CO 0.05 -0.28 0.18 0.00 -0.54 0.00 0.00 174.62 174.03 1pus s ARG 22 N 4.42 2.21 -0.87 3.99 1.70 -1.26 -0.54 118.95 128.60 1pus s ARG 22 Ca 0.68 -1.95 -0.06 0.00 -0.47 0.00 0.00 55.73 53.92 1pus s ARG 22 Cb -0.24 -1.92 -0.05 0.00 -0.57 0.00 0.00 34.95 32.16 1pus s ARG 22 CO 0.27 -0.20 2.06 0.54 -1.08 0.00 0.00 175.30 176.88 1pus n ARG 23 N -1.29 1.97 0.00 3.89 5.12 -1.26 -4.64 116.66 120.45 1pus n ARG 23 Ca -0.03 -1.44 0.00 0.00 -1.93 0.00 0.00 57.85 54.44 1pus n ARG 23 Cb 0.65 -2.46 0.00 0.00 -1.16 0.00 0.00 32.46 29.49 1pus n ARG 23 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1pus n ALA 24 N 4.42 0.00 -1.99 7.54 0.00 -1.26 -3.04 120.51 126.18 1pus n ALA 24 Ca 0.43 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.87 1pus n ALA 24 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 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 5.69 -1.26 0.00 0.00 0.00 -1.26 -5.10 120.51 118.58 1pus n ALA 25 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1pus n ALA 25 Cb 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.07 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 -0.06 0.00 -3.66 0.00 5.75 -1.17 -5.19 116.55 112.22 1pus n ASP 26 Ca -0.02 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.70 1pus n ASP 26 Cb 0.40 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.48 1pus n ASP 26 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1pus s ALA 27 N 0.00 -1.32 0.01 2.12 0.00 -1.26 -5.08 121.76 116.23 1pus s ALA 27 Ca 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 51.96 51.68 1pus s ALA 27 Cb 0.00 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.85 1pus s ALA 27 CO 0.00 -1.04 1.04 0.45 0.00 0.00 0.00 175.76 176.21 1pus h HIS 28 N 2.00 -0.15 -1.90 0.00 3.86 -2.03 -3.31 115.15 113.63 1pus h HIS 28 Ca -0.23 -0.00 -0.78 0.00 -1.16 0.00 0.00 60.37 58.20 1pus h HIS 28 Cb 1.24 0.05 -0.20 0.00 1.06 0.00 0.00 27.41 29.56 1pus h HIS 28 CO 0.61 -0.09 1.62 -1.33 0.86 0.00 0.00 177.93 179.59 1pus n MET 29 N -2.45 4.05 0.00 2.45 2.81 -1.26 -4.73 117.12 117.99 1pus n MET 29 Ca -0.02 -3.90 0.09 0.00 -1.81 0.00 0.00 57.70 52.06 1pus n MET 29 Cb 0.06 -2.75 0.41 0.00 -0.71 0.00 0.00 33.22 30.24 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 2.71 1.88 -0.43 3.04 0.00 -1.25 -3.10 120.51 123.36 1pus n ALA 30 Ca 0.37 -0.07 -0.15 0.00 0.00 0.00 0.00 53.44 53.59 1pus n ALA 30 Cb 0.34 -1.30 0.10 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.45 3.85 -0.87 0.00 4.13 -1.26 -4.13 115.26 115.54 1pus n ASN 31 Ca 0.06 -3.01 0.02 0.00 1.68 0.00 0.00 54.58 53.33 1pus n ASN 31 Cb 0.20 -0.75 0.21 0.00 -1.54 0.00 0.00 39.78 37.90 1pus n ASN 31 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 1pus n LYS 32 N -0.44 2.02 -1.52 3.52 2.85 -0.96 -2.80 118.16 120.84 1pus n LYS 32 Ca 0.37 -3.02 -0.35 0.00 -1.05 0.00 0.00 58.31 54.26 1pus n LYS 32 Cb 1.14 -1.76 -0.13 0.00 -0.65 0.00 0.00 35.03 33.64 1pus n LYS 32 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1pus n LEU 33 N -1.00 0.65 0.00 -5.58 0.00 -0.53 -4.19 117.00 106.35 1pus n LEU 33 Ca 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 56.01 56.04 1pus n LEU 33 Cb 0.90 -1.08 0.00 0.00 0.00 0.00 0.00 43.42 43.24 1pus n LEU 33 CO 0.13 -1.18 0.01 1.21 0.00 0.00 0.00 177.39 177.55 1pus n GLU 34 N 8.21 1.32 -4.54 1.96 2.13 0.30 -3.91 120.64 126.10 1pus n GLU 34 Ca 0.58 -0.12 -0.27 0.00 0.66 0.00 0.00 57.16 58.01 1pus n GLU 34 Cb 0.21 0.01 -0.10 0.00 0.27 0.00 0.00 31.44 31.82 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 0.21 2.50 0.78 4.31 0.40 -1.26 -0.83 117.98 124.10 1pus s PHE 35 Ca 0.01 -0.61 -0.12 0.00 -0.60 0.00 0.00 56.93 55.62 1pus s PHE 35 Cb -0.00 -1.69 0.06 0.00 0.51 0.00 0.00 43.02 41.89 1pus s PHE 35 CO 0.01 0.46 1.14 -1.25 0.70 0.00 0.00 175.22 176.28 1pus s PRO 36 N -3.71 2.25 0.00 0.24 0.04 -1.26 -4.52 135.00 128.05 1pus s PRO 36 Ca 0.35 0.29 0.00 0.00 0.04 0.00 0.00 61.00 61.68 1pus s PRO 36 Cb 0.07 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1pus s PRO 36 CO 0.18 -1.43 0.00 0.41 0.04 0.00 0.00 177.00 176.20 1pus n GLY 37 N -3.05 0.38 3.68 0.56 0.00 -1.26 -1.37 105.19 104.14 1pus n GLY 37 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.46 1.79 0.00 -0.02 0.00 -0.56 -3.58 107.32 103.49 1pus s GLY 38 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 44.72 45.38 1pus s GLY 38 CO 0.00 1.08 0.00 1.17 0.00 0.00 0.00 173.10 175.35 1pus n LYS 39 N -4.07 0.00 0.09 2.90 4.81 -1.26 -4.90 118.16 115.72 1pus n LYS 39 Ca 0.12 0.00 0.20 0.00 -0.87 0.00 0.00 58.31 57.76 1pus n LYS 39 Cb 0.52 -2.09 0.75 0.00 0.02 0.00 0.00 35.03 34.22 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 0.50 -0.22 3.15 3.07 -1.78 -2.76 117.51 119.48 1pus h ILE 40 Ca 0.00 0.00 0.02 0.00 1.55 0.00 0.00 64.86 66.43 1pus h ILE 40 Cb 0.00 0.71 -0.03 0.00 -0.27 0.00 0.00 36.82 37.23 1pus h ILE 40 CO 0.00 0.00 -0.18 1.05 -1.05 0.00 0.00 178.15 177.97 1pus h GLU 41 N 0.00 -0.06 0.00 0.16 -0.00 -1.89 -3.34 114.58 109.45 1pus h GLU 41 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.56 1pus h GLU 41 Cb 0.94 0.01 0.00 0.00 -0.00 0.00 0.00 28.75 29.70 1pus h GLU 41 CO -0.00 -0.04 0.00 -1.33 -0.00 0.00 0.00 179.01 177.64 1pus n MET 42 N -3.61 0.00 -0.99 1.06 2.81 -1.04 -3.42 117.12 111.92 1pus n MET 42 Ca -0.00 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.88 1pus n MET 42 Cb 0.09 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.60 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 -0.47 1.18 3.03 0.00 -1.26 -5.15 105.19 102.53 1pus n GLY 43 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.08 0.16 -3.97 1.61 4.71 -1.22 -5.09 120.64 116.77 1pus n GLU 44 Ca -0.03 -0.77 -0.26 0.00 -0.01 0.00 0.00 57.16 56.09 1pus n GLU 44 Cb 0.40 -0.27 -0.03 0.00 -1.01 0.00 0.00 31.44 30.53 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 -1.10 5.21 0.60 2.62 2.01 -1.26 -4.78 115.64 118.94 1pus s THR 45 Ca 0.21 -0.77 0.28 0.00 0.31 0.00 0.00 61.69 61.73 1pus s THR 45 Cb -0.01 -3.69 0.40 0.00 0.01 0.00 0.00 72.50 69.21 1pus s THR 45 CO 0.14 -0.12 1.49 1.55 -0.69 0.00 0.00 174.62 177.00 1pus h PRO 46 N 2.09 0.00 0.00 4.92 0.13 -1.99 1.28 132.00 138.43 1pus h PRO 46 Ca -0.49 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.31 1pus h PRO 46 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 1pus h PRO 46 CO 0.67 0.00 -2.23 0.39 -0.23 0.00 0.00 178.00 176.60 1pus n GLU 47 N -3.40 0.53 0.00 0.86 4.71 -1.26 -4.45 120.64 117.63 1pus n GLU 47 Ca 0.19 0.14 0.15 0.00 -0.01 0.00 0.00 57.16 57.63 1pus n GLU 47 Cb 1.28 -1.41 0.78 0.00 -1.01 0.00 0.00 31.44 31.08 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 -3.27 0.53 0.30 3.49 1.13 -0.15 -3.58 117.38 115.83 1pus n GLN 48 Ca -0.39 -0.01 -0.17 0.00 -1.94 0.00 0.00 57.00 54.49 1pus n GLN 48 Cb 0.89 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 29.66 1pus n GLN 48 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1pus h ALA 49 N 3.52 -0.72 0.06 -1.58 0.00 0.13 0.39 119.26 121.06 1pus h ALA 49 Ca 0.00 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 1pus h ALA 49 Cb 0.25 0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1pus h ALA 49 CO 0.00 -0.89 -0.51 -0.39 0.00 0.00 0.00 179.25 177.46 1pus h VAL 50 N -0.75 1.55 -0.92 0.00 -1.51 -1.82 -1.88 116.25 110.93 1pus h VAL 50 Ca -0.07 -2.28 0.10 0.00 -1.23 0.00 0.00 66.70 63.21 1pus h VAL 50 Cb 0.56 3.01 -0.08 0.00 -2.13 0.00 0.00 31.29 32.66 1pus h VAL 50 CO 0.12 0.64 0.56 0.58 -1.23 0.00 0.00 177.57 178.24 1pus h VAL 51 N -0.45 0.95 0.01 7.19 2.07 -1.63 1.30 116.25 125.70 1pus h VAL 51 Ca -0.08 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1pus h VAL 51 Cb 1.33 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1pus h VAL 51 CO 0.10 0.17 -0.08 -0.09 0.02 0.00 0.00 177.57 177.68 1pus h ARG 52 N 0.94 0.04 0.00 1.57 1.12 -1.02 -3.22 114.38 113.81 1pus h ARG 52 Ca 0.44 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 59.25 1pus h ARG 52 Cb 0.37 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.35 1pus h ARG 52 CO -0.24 0.93 0.00 1.49 -3.11 0.00 0.00 179.97 179.04 1pus h GLU 53 N -0.82 0.00 -0.57 0.20 4.57 -1.04 -2.39 114.58 114.53 1pus h GLU 53 Ca -0.01 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1pus h GLU 53 Cb 0.97 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.53 1pus h GLU 53 CO 0.02 0.00 0.37 1.25 -1.18 0.00 0.00 179.01 179.46 1pus h LEU 54 N 0.00 0.63 -1.80 1.64 5.85 0.17 0.10 115.31 121.90 1pus h LEU 54 Ca 0.00 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1pus h LEU 54 Cb 0.17 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1pus h LEU 54 CO 0.00 0.45 -0.08 1.56 -0.34 0.00 0.00 178.44 180.03 1pus h GLN 55 N 0.75 0.02 0.02 1.25 4.20 -1.54 1.40 115.11 121.20 1pus h GLN 55 Ca 0.21 -0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.72 1pus h GLN 55 Cb -0.06 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1pus h GLN 55 CO -0.06 0.11 -0.92 1.49 -0.67 0.00 0.00 178.83 178.77 1pus h GLU 56 N 0.02 0.12 -0.27 1.46 4.22 -1.19 0.65 114.58 119.60 1pus h GLU 56 Ca 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 59.36 59.29 1pus h GLU 56 Cb 0.16 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1pus h GLU 56 CO 0.01 0.96 0.00 0.39 -2.18 0.00 0.00 179.01 178.19 1pus n GLU 57 N -3.57 2.09 0.00 1.92 4.71 0.20 0.19 120.64 126.19 1pus n GLU 57 Ca -0.03 -1.84 0.00 0.00 -0.01 0.00 0.00 57.16 55.28 1pus n GLU 57 Cb 0.85 -1.30 0.00 0.00 -1.01 0.00 0.00 31.44 29.98 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 0.75 0.00 0.00 2.62 0.31 0.47 -4.08 118.33 118.40 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 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 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 2.05 0.43 2.42 2.92 0.00 0.22 -0.32 105.19 112.92 1pus n GLY 59 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.71 -0.61 -5.35 -1.26 -4.88 119.36 103.55 1pus n ILE 60 Ca 0.00 -0.55 -0.36 0.00 -0.27 0.00 0.00 62.75 61.56 1pus n ILE 60 Cb 0.00 -1.55 -0.09 0.00 -1.74 0.00 0.00 39.64 36.25 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 -2.72 3.80 -0.02 7.28 -4.23 -1.26 -4.90 115.64 113.59 1pus s THR 61 Ca 0.48 -3.09 0.02 0.00 -1.18 0.00 0.00 61.69 57.92 1pus s THR 61 Cb -0.02 -3.46 -0.03 0.00 1.34 0.00 0.00 72.50 70.33 1pus s THR 61 CO 0.34 -0.91 -0.04 -2.16 -0.54 0.00 0.00 174.62 171.32 1pus s PRO 62 N -0.24 2.70 -1.24 3.99 0.04 -1.26 -3.10 135.00 135.88 1pus s PRO 62 Ca 0.18 -0.63 -0.20 0.00 0.04 0.00 0.00 61.00 60.39 1pus s PRO 62 Cb -0.19 -2.60 -0.01 0.00 0.04 0.00 0.00 34.50 31.74 1pus s PRO 62 CO -0.04 0.63 1.84 -0.65 0.04 0.00 0.00 177.00 178.82 1pus s GLN 63 N -1.32 3.21 -0.06 4.56 -0.21 -0.51 -4.85 119.66 120.48 1pus s GLN 63 Ca 0.17 -1.58 0.06 0.00 0.02 0.00 0.00 55.36 54.02 1pus s GLN 63 Cb -0.11 -5.39 -0.01 0.00 1.00 0.00 0.00 33.01 28.50 1pus s GLN 63 CO 0.07 -3.16 -0.24 -1.58 -2.12 0.00 0.00 175.29 168.26 1pus s HIS 64 N 7.77 2.34 0.00 0.91 2.46 -1.24 -0.45 115.29 127.08 1pus s HIS 64 Ca 0.61 -0.74 0.00 0.00 0.47 0.00 0.00 55.06 55.41 1pus s HIS 64 Cb 0.02 -1.55 0.00 0.00 -0.13 0.00 0.00 32.58 30.92 1pus s HIS 64 CO 0.11 -0.24 0.00 0.34 -2.47 0.00 0.00 174.74 172.48 1pus n PHE 65 N 3.06 0.00 -1.39 3.88 -0.00 -1.26 -4.94 117.46 116.81 1pus n PHE 65 Ca -0.18 0.00 0.09 0.00 -0.00 0.00 0.00 57.45 57.36 1pus n PHE 65 Cb 0.52 0.00 -0.05 0.00 -0.00 0.00 0.00 39.48 39.95 1pus n PHE 65 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1pus n SER 66 N 0.00 -6.86 -4.06 -2.13 2.88 -1.23 -2.44 113.62 99.77 1pus n SER 66 Ca 0.00 1.39 -0.32 0.00 -1.33 0.00 0.00 58.87 58.61 1pus n SER 66 Cb 0.00 -4.54 -0.15 0.00 -0.75 0.00 0.00 64.21 58.77 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 -6.26 3.51 0.00 2.46 0.20 -1.26 0.46 118.68 117.79 1pus s LEU 67 Ca 0.00 -1.44 -0.20 0.00 0.69 0.00 0.00 54.13 53.19 1pus s LEU 67 Cb 0.00 -1.55 -0.25 0.00 -0.43 0.00 0.00 46.19 43.96 1pus s LEU 67 CO 0.00 -0.20 1.07 0.15 -0.29 0.00 0.00 176.35 177.08 1pus h PHE 68 N 7.76 0.65 -1.88 5.38 3.04 -1.65 -3.42 116.94 126.82 1pus h PHE 68 Ca -0.18 -0.38 0.21 0.00 3.98 0.00 0.00 57.97 61.60 1pus h PHE 68 Cb 1.04 -0.06 -0.15 0.00 2.56 0.00 0.00 35.95 39.34 1pus h PHE 68 CO 0.63 1.21 0.66 -2.00 -2.02 0.00 0.00 178.31 176.79 1pus s GLU 69 N -3.06 0.63 -0.06 1.11 2.12 -0.31 -4.99 118.70 114.14 1pus s GLU 69 Ca -0.13 -0.28 -0.03 0.00 0.36 0.00 0.00 54.97 54.89 1pus s GLU 69 Cb 0.03 0.26 0.03 0.00 0.26 0.00 0.00 34.13 34.72 1pus s GLU 69 CO 0.84 -0.28 0.13 0.21 -0.54 0.00 0.00 175.26 175.61 1pus s LYS 70 N -2.79 0.09 -0.20 4.30 2.20 -1.26 -0.40 119.74 121.67 1pus s LYS 70 Ca 0.09 0.31 -0.02 0.00 -0.36 0.00 0.00 55.97 56.00 1pus s LYS 70 Cb -0.00 -0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.19 1pus s LYS 70 CO -0.05 -0.14 -0.11 -1.17 -0.36 0.00 0.00 175.35 173.53 1pus s LEU 71 N 0.94 2.58 -0.27 5.43 2.96 0.23 -4.96 118.68 125.59 1pus s LEU 71 Ca -0.07 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.36 1pus s LEU 71 Cb -0.10 -1.63 0.06 0.00 0.50 0.00 0.00 46.19 45.02 1pus s LEU 71 CO -0.04 -0.00 -0.08 -0.70 -1.32 0.00 0.00 176.35 174.20 1pus s GLU 72 N 1.36 2.28 0.02 1.98 2.12 -1.26 -0.12 118.70 125.09 1pus s GLU 72 Ca 0.05 -1.34 -0.02 0.00 0.36 0.00 0.00 54.97 54.02 1pus s GLU 72 Cb -0.14 -2.97 -0.02 0.00 0.26 0.00 0.00 34.13 31.26 1pus s GLU 72 CO -0.07 -0.59 0.01 1.52 -0.54 0.00 0.00 175.26 175.59 1pus s TYR 73 N 1.14 0.25 -0.16 5.30 1.13 -1.18 -5.03 117.35 118.80 1pus s TYR 73 Ca -0.08 -0.53 0.01 0.00 -1.41 0.00 0.00 57.07 55.07 1pus s TYR 73 Cb -0.20 -0.19 0.02 0.00 -1.10 0.00 0.00 41.96 40.49 1pus s TYR 73 CO -0.04 -0.24 -0.19 -1.83 -2.51 0.00 0.00 175.55 170.74 1pus s GLU 74 N -1.85 2.82 0.68 -3.49 -1.05 -1.26 -2.05 118.70 112.50 1pus s GLU 74 Ca -0.12 -0.77 -0.11 0.00 -0.15 0.00 0.00 54.97 53.82 1pus s GLU 74 Cb -0.07 -2.42 -0.00 0.00 -0.44 0.00 0.00 34.13 31.20 1pus s GLU 74 CO -0.02 -0.17 1.07 -0.06 0.95 0.00 0.00 175.26 177.03 1pus s PHE 75 N 1.22 3.41 -0.63 4.83 0.40 0.37 -4.85 117.98 122.73 1pus s PHE 75 Ca 0.02 1.14 -0.15 0.00 -0.60 0.00 0.00 56.93 57.34 1pus s PHE 75 Cb -0.14 -2.95 -0.14 0.00 0.51 0.00 0.00 43.02 40.30 1pus s PHE 75 CO -0.10 -1.03 1.70 -0.35 0.70 0.00 0.00 175.22 176.15 1pus n PRO 76 N -2.93 0.08 -0.56 0.24 -0.04 -1.26 0.63 135.00 131.16 1pus n PRO 76 Ca 0.07 -0.87 0.00 0.00 -0.04 0.00 0.00 63.50 62.65 1pus n PRO 76 Cb 0.56 -2.60 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 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 13.00 -1.68 -3.55 3.54 2.03 -1.26 -5.03 116.55 123.60 1pus n ASP 77 Ca 0.27 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.29 1pus n ASP 77 Cb 0.46 -0.28 -0.13 0.00 -0.72 0.00 0.00 41.12 40.45 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 -0.73 0.57 -0.76 -0.67 3.52 0.21 -2.12 118.95 118.97 1pus s ARG 78 Ca 0.00 -1.18 -0.26 0.00 -0.13 0.00 0.00 55.73 54.16 1pus s ARG 78 Cb 0.00 -1.49 0.01 0.00 -1.56 0.00 0.00 34.95 31.91 1pus s ARG 78 CO 0.00 -1.12 1.55 -1.01 -0.81 0.00 0.00 175.30 173.91 1pus s HIS 79 N 1.32 2.07 -0.37 5.12 3.76 0.60 0.14 115.29 127.93 1pus s HIS 79 Ca 0.15 0.17 -0.13 0.00 -0.15 0.00 0.00 55.06 55.09 1pus s HIS 79 Cb -0.21 -4.41 0.00 0.00 1.11 0.00 0.00 32.58 29.07 1pus s HIS 79 CO -0.13 -2.10 0.25 -1.50 -0.85 0.00 0.00 174.74 170.42 1pus s ILE 80 N 7.12 5.14 -0.28 0.60 2.07 -0.87 0.94 121.20 135.93 1pus s ILE 80 Ca 0.50 -0.46 -0.12 0.00 -1.41 0.00 0.00 60.65 59.16 1pus s ILE 80 Cb -0.08 -3.74 -0.05 0.00 0.13 0.00 0.00 42.46 38.72 1pus s ILE 80 CO 0.12 -0.14 0.22 0.42 -1.91 0.00 0.00 174.94 173.65 1pus s THR 81 N 1.68 5.29 -0.29 4.00 -4.23 -0.87 -3.08 115.64 118.14 1pus s THR 81 Ca 0.05 0.19 -0.05 0.00 -1.18 0.00 0.00 61.69 60.70 1pus s THR 81 Cb -0.18 -3.56 0.02 0.00 1.34 0.00 0.00 72.50 70.11 1pus s THR 81 CO 0.10 0.22 0.05 -0.22 -0.54 0.00 0.00 174.62 174.22 1pus s LEU 82 N 1.80 3.73 -0.21 4.79 2.96 0.83 0.47 118.68 133.05 1pus s LEU 82 Ca 0.08 -0.80 -0.05 0.00 -0.22 0.00 0.00 54.13 53.14 1pus s LEU 82 Cb -0.16 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 1pus s LEU 82 CO 0.11 -0.19 -0.01 0.26 -1.32 0.00 0.00 176.35 175.20 1pus s TRP 83 N 1.44 3.01 -0.34 5.38 0.52 -0.30 0.75 118.94 129.41 1pus s TRP 83 Ca 0.01 -0.60 -0.06 0.00 0.02 0.00 0.00 56.10 55.47 1pus s TRP 83 Cb -0.17 -2.10 0.04 0.00 -1.15 0.00 0.00 33.47 30.09 1pus s TRP 83 CO 0.01 -0.35 0.10 -0.06 0.02 0.00 0.00 176.95 176.67 1pus s PHE 84 N 1.19 3.26 0.05 -1.98 0.40 0.46 0.99 117.98 122.35 1pus s PHE 84 Ca 0.03 -1.46 -0.01 0.00 -0.60 0.00 0.00 56.93 54.89 1pus s PHE 84 Cb -0.15 -2.29 -0.04 0.00 0.51 0.00 0.00 43.02 41.05 1pus s PHE 84 CO 0.01 -0.74 0.22 -1.58 0.70 0.00 0.00 175.22 173.83 1pus s TRP 85 N 1.39 3.52 -0.52 0.36 0.52 0.99 -1.17 118.94 124.04 1pus s TRP 85 Ca -0.02 0.32 -0.17 0.00 0.02 0.00 0.00 56.10 56.26 1pus s TRP 85 Cb -0.20 -1.81 0.09 0.00 -1.15 0.00 0.00 33.47 30.41 1pus s TRP 85 CO 0.03 0.59 0.50 -1.17 0.02 0.00 0.00 176.95 176.91 1pus s LEU 86 N -2.37 5.69 0.34 2.99 2.96 0.17 -2.35 118.68 126.12 1pus s LEU 86 Ca 0.34 -1.44 -0.23 0.00 -0.22 0.00 0.00 54.13 52.58 1pus s LEU 86 Cb -0.13 -2.24 -0.10 0.00 0.50 0.00 0.00 46.19 44.22 1pus s LEU 86 CO 0.25 -0.81 0.90 -0.69 -1.32 0.00 0.00 176.35 174.68 1pus s VAL 87 N 1.90 4.34 -0.04 1.68 1.01 -1.03 -3.50 120.40 124.77 1pus s VAL 87 Ca 0.06 1.60 0.06 0.00 0.00 0.00 0.00 61.98 63.70 1pus s VAL 87 Cb -0.25 -3.84 -0.08 0.00 0.00 0.00 0.00 36.38 32.20 1pus s VAL 87 CO 0.06 -0.01 0.07 1.21 0.00 0.00 0.00 175.10 176.43 1pus n GLU 88 N 0.15 1.80 -3.52 2.72 2.13 -1.13 -3.65 120.64 119.14 1pus n GLU 88 Ca 0.03 -0.03 -0.10 0.00 0.66 0.00 0.00 57.16 57.73 1pus n GLU 88 Cb 0.52 -1.15 -0.02 0.00 0.27 0.00 0.00 31.44 31.05 1pus n GLU 88 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1pus s ARG 89 N -2.27 1.20 -0.24 5.31 6.06 0.40 -4.56 118.95 124.85 1pus s ARG 89 Ca -0.03 -0.49 -0.10 0.00 -2.50 0.00 0.00 55.73 52.61 1pus s ARG 89 Cb 0.03 0.52 0.09 0.00 0.06 0.00 0.00 34.95 35.65 1pus s ARG 89 CO 0.25 -0.53 0.53 1.67 -2.50 0.00 0.00 175.30 174.72 1pus s TRP 90 N -3.55 -0.97 0.38 5.12 -2.14 -1.21 -1.42 118.94 115.16 1pus s TRP 90 Ca 0.04 1.82 -0.26 0.00 2.66 0.00 0.00 56.10 60.37 1pus s TRP 90 Cb -0.02 0.50 -0.09 0.00 -3.10 0.00 0.00 33.47 30.77 1pus s TRP 90 CO -0.08 -0.52 1.13 -2.00 -2.66 0.00 0.00 176.95 172.82 1pus s GLU 91 N 2.32 4.16 6.08 3.25 2.12 -1.18 -4.79 118.70 130.66 1pus s GLU 91 Ca -0.06 1.76 0.00 0.00 0.36 0.00 0.00 54.97 57.03 1pus s GLU 91 Cb -0.10 -2.72 0.00 0.00 0.26 0.00 0.00 34.13 31.57 1pus s GLU 91 CO -0.16 -0.21 0.00 0.41 -0.54 0.00 0.00 175.26 174.77 1pus n GLY 92 N 0.64 3.38 3.32 -1.50 0.00 -1.26 -4.57 105.19 105.21 1pus n GLY 92 Ca 0.04 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 1.74 0.01 1.61 2.02 -1.26 -5.11 118.70 117.71 1pus s GLU 93 Ca 0.00 -1.06 -0.30 0.00 0.02 0.00 0.00 54.97 53.63 1pus s GLU 93 Cb 0.00 -1.88 -0.04 0.00 0.10 0.00 0.00 34.13 32.30 1pus s GLU 93 CO 0.00 0.49 1.13 -2.14 0.02 0.00 0.00 175.26 174.76 1pus s PRO 94 N -1.16 4.45 0.15 0.39 0.02 -1.26 -4.65 135.00 132.94 1pus s PRO 94 Ca 0.11 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.76 1pus s PRO 94 Cb -0.10 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 31.00 1pus s PRO 94 CO 0.02 -0.24 0.00 -2.67 -0.33 0.00 0.00 177.00 173.78 1pus n TRP 95 N 4.21 -1.10 0.00 6.54 4.27 0.57 -4.86 117.44 127.07 1pus n TRP 95 Ca 0.08 0.19 0.00 0.00 -3.89 0.00 0.00 57.50 53.89 1pus n TRP 95 Cb 0.48 0.35 0.00 0.00 -1.36 0.00 0.00 31.31 30.78 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 0.53 0.00 -1.67 0.00 0.57 -4.03 105.19 102.86 1pus n GLY 96 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.80 1pus n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pus n LYS 97 N 0.00 0.00 0.08 1.61 5.02 0.50 -4.72 118.16 120.64 1pus n LYS 97 Ca 0.00 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 1pus n LYS 97 Cb 0.00 0.00 0.55 0.00 -0.02 0.00 0.00 35.03 35.56 1pus n LYS 97 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1pus h GLU 98 N 0.00 0.25 0.00 1.97 -0.00 -1.70 -3.46 114.58 111.64 1pus h GLU 98 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.35 1pus h GLU 98 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 28.75 28.69 1pus h GLU 98 CO 0.00 0.16 0.00 0.41 -0.00 0.00 0.00 179.01 179.58 1pus n GLY 99 N -1.53 3.28 2.83 1.06 0.00 -1.26 -5.02 105.19 104.55 1pus n GLY 99 Ca 0.03 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.99 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 1.06 0.42 1.61 -0.21 -1.26 -5.10 119.66 116.18 1pus s GLN 100 Ca 0.00 -0.96 -0.22 0.00 0.02 0.00 0.00 55.36 54.20 1pus s GLN 100 Cb 0.00 -2.32 -0.14 0.00 1.00 0.00 0.00 33.01 31.55 1pus s GLN 100 CO 0.00 -0.77 0.35 -2.30 -2.12 0.00 0.00 175.29 170.45 1pus n PRO 101 N 4.79 0.32 -4.47 2.91 -0.02 -1.26 -4.20 135.00 133.07 1pus n PRO 101 Ca -0.06 0.12 -0.24 0.00 -2.02 0.00 0.00 63.50 61.29 1pus n PRO 101 Cb 0.44 -1.30 -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 -0.98 2.49 0.12 -1.23 0.00 -1.26 -4.07 107.32 102.39 1pus s GLY 102 Ca 0.62 -1.42 0.04 0.00 0.00 0.00 0.00 44.72 43.96 1pus s GLY 102 CO 0.60 -1.77 -0.11 -0.54 0.00 0.00 0.00 173.10 171.28 1pus s GLU 103 N -3.71 0.98 -0.52 2.90 2.02 -1.26 -4.98 118.70 114.13 1pus s GLU 103 Ca 0.27 -1.31 -0.28 0.00 0.02 0.00 0.00 54.97 53.67 1pus s GLU 103 Cb 0.03 -0.65 0.01 0.00 0.10 0.00 0.00 34.13 33.63 1pus s GLU 103 CO 0.16 0.10 1.42 -1.58 0.02 0.00 0.00 175.26 175.38 1pus s TRP 104 N -2.80 2.31 0.30 1.61 0.51 -1.26 -3.50 118.94 116.10 1pus s TRP 104 Ca 0.11 0.54 0.11 0.00 -2.12 0.00 0.00 56.10 54.75 1pus s TRP 104 Cb -0.01 -4.36 -0.05 0.00 -0.81 0.00 0.00 33.47 28.24 1pus s TRP 104 CO 0.01 -1.97 -0.17 0.00 -0.51 0.00 0.00 176.95 174.30 1pus s MET 105 N 5.36 1.71 -0.31 4.98 0.23 -0.79 -4.89 119.30 125.58 1pus s MET 105 Ca 0.55 -1.81 -0.29 0.00 -1.03 0.00 0.00 55.69 53.11 1pus s MET 105 Cb -0.12 -1.74 0.01 0.00 -1.53 0.00 0.00 34.83 31.45 1pus s MET 105 CO 0.27 0.28 1.25 -1.54 -2.03 0.00 0.00 175.02 173.25 1pus s SER 106 N -3.53 6.72 0.42 -1.18 1.04 -1.26 0.14 113.70 116.05 1pus s SER 106 Ca 0.31 1.13 0.26 0.00 0.48 0.00 0.00 55.95 58.13 1pus s SER 106 Cb -0.03 -2.54 0.67 0.00 0.10 0.00 0.00 66.02 64.22 1pus s SER 106 CO 0.15 -1.05 1.72 0.25 0.98 0.00 0.00 173.24 175.29 1pus h LEU 107 N 10.75 0.00 -1.82 2.42 5.85 -1.78 -3.24 115.31 127.49 1pus h LEU 107 Ca -0.25 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.60 1pus h LEU 107 Cb 1.09 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 1pus h LEU 107 CO 1.04 0.00 0.54 1.62 -0.34 0.00 0.00 178.44 181.30 1pus h VAL 108 N 0.00 0.26 -0.93 1.05 3.04 -1.90 -1.00 116.25 116.77 1pus h VAL 108 Ca 0.00 0.00 -0.46 0.00 -1.01 0.00 0.00 66.70 65.23 1pus h VAL 108 Cb 0.82 0.55 -0.42 0.00 -2.01 0.00 0.00 31.29 30.23 1pus h VAL 108 CO 0.00 0.00 -0.92 0.61 -1.01 0.00 0.00 177.57 176.25 1pus n GLY 109 N -1.48 4.51 3.74 3.17 0.00 -1.22 -5.01 105.19 108.90 1pus n GLY 109 Ca 0.08 -2.13 -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 -3.55 3.60 -0.11 0.99 0.20 -0.38 -5.02 118.68 114.41 1pus s LEU 110 Ca 0.41 2.49 0.02 0.00 0.69 0.00 0.00 54.13 57.75 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 -1.83 -0.20 0.20 -0.29 0.00 0.00 176.35 174.19 1pus s ASN 111 N -1.54 3.45 0.25 3.68 0.01 -1.26 -4.94 114.94 114.59 1pus s ASN 111 Ca 0.80 -0.47 0.24 0.00 -0.71 0.00 0.00 52.86 52.72 1pus s ASN 111 Cb -0.34 -1.48 0.95 0.00 0.41 0.00 0.00 41.25 40.80 1pus s ASN 111 CO 0.37 0.16 1.73 0.00 -1.51 0.00 0.00 177.10 177.86 1pus n ALA 112 N 3.51 1.80 -0.05 0.60 0.00 -1.26 -2.73 120.51 122.38 1pus n ALA 112 Ca -0.19 0.06 -0.15 0.00 0.00 0.00 0.00 53.44 53.17 1pus n ALA 112 Cb 0.53 -1.41 -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 0.08 -0.04 0.00 3.58 -1.94 -3.34 116.42 114.76 1pus h ASP 113 Ca 0.00 -0.92 -0.10 0.00 0.42 0.00 0.00 57.03 56.43 1pus h ASP 113 Cb 0.45 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 1pus h ASP 113 CO 0.00 0.98 -0.28 -2.24 -2.88 0.00 0.00 179.24 174.83 1pus h ASP 114 N -0.82 0.49 -3.90 2.28 2.03 -1.82 -3.45 116.42 111.23 1pus h ASP 114 Ca -0.02 -0.17 -0.46 0.00 -0.73 0.00 0.00 57.03 55.65 1pus h ASP 114 Cb 1.01 -0.13 0.12 0.00 -0.83 0.00 0.00 39.33 39.50 1pus h ASP 114 CO 0.02 0.76 0.35 0.72 -1.03 0.00 0.00 179.24 180.05 1pus s PHE 115 N -4.45 2.20 0.09 4.15 -0.71 -1.11 -1.45 117.98 116.71 1pus s PHE 115 Ca -0.07 0.38 -0.31 0.00 -1.04 0.00 0.00 56.93 55.90 1pus s PHE 115 Cb 0.14 -3.65 -0.08 0.00 -1.21 0.00 0.00 43.02 38.22 1pus s PHE 115 CO 0.79 -2.07 1.48 -1.25 -1.34 0.00 0.00 175.22 172.83 1pus s PRO 116 N -5.60 4.27 0.58 1.99 0.04 -1.12 -4.37 135.00 130.78 1pus s PRO 116 Ca 0.67 2.15 0.36 0.00 0.04 0.00 0.00 61.00 64.22 1pus s PRO 116 Cb -0.07 -3.38 1.72 0.00 0.04 0.00 0.00 34.50 32.81 1pus s PRO 116 CO 0.49 -0.56 2.13 -1.00 0.04 0.00 0.00 177.00 178.10 1pus h PRO 117 N 7.37 0.00 0.00 0.56 0.13 -1.79 -2.33 132.00 135.94 1pus h PRO 117 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 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 0.90 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.70 1pus n ALA 118 N -2.13 1.77 -1.17 -0.56 0.00 -1.26 -2.48 120.51 114.68 1pus n ALA 118 Ca -0.01 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.42 1pus n ALA 118 Cb 0.22 -1.27 0.22 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.48 3.08 -0.06 0.00 5.03 -0.88 -4.69 115.26 116.26 1pus n ASN 119 Ca 0.04 -3.29 -0.05 0.00 0.87 0.00 0.00 54.58 52.15 1pus n ASN 119 Cb 0.19 -0.55 0.15 0.00 -1.02 0.00 0.00 39.78 38.55 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 1.18 0.69 -0.57 3.52 4.11 -1.63 -2.47 114.58 119.42 1pus h GLU 120 Ca 0.06 -0.23 0.11 0.00 0.07 0.00 0.00 59.36 59.37 1pus h GLU 120 Cb 1.40 -0.06 -0.09 0.00 0.50 0.00 0.00 28.75 30.51 1pus h GLU 120 CO 0.22 0.81 0.05 -1.35 0.07 0.00 0.00 179.01 178.81 1pus h PRO 121 N 0.62 0.17 0.01 1.06 0.11 -1.85 1.48 132.00 133.60 1pus h PRO 121 Ca 0.10 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 1pus h PRO 121 Cb 0.60 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.67 1pus h PRO 121 CO 0.04 0.11 -0.01 0.28 -0.21 0.00 0.00 178.00 178.21 1pus h VAL 122 N 0.17 1.50 -0.25 3.15 2.07 -1.93 -3.32 116.25 117.64 1pus h VAL 122 Ca 0.30 -1.93 -0.02 0.00 0.82 0.00 0.00 66.70 65.86 1pus h VAL 122 Cb 0.46 2.74 -0.01 0.00 -1.52 0.00 0.00 31.29 32.96 1pus h VAL 122 CO -0.44 0.47 0.05 0.40 0.02 0.00 0.00 177.57 178.07 1pus h ILE 123 N -0.90 1.13 -0.86 4.57 1.08 -1.29 -2.10 117.51 119.14 1pus h ILE 123 Ca -0.00 -0.46 0.12 0.00 -0.39 0.00 0.00 64.86 64.13 1pus h ILE 123 Cb 0.79 0.89 -0.06 0.00 -3.07 0.00 0.00 36.82 35.37 1pus h ILE 123 CO 0.00 0.16 0.56 0.00 -0.69 0.00 0.00 178.15 178.18 1pus h ALA 124 N 1.71 1.80 -0.29 1.87 0.00 0.20 1.25 119.26 125.80 1pus h ALA 124 Ca 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1pus h ALA 124 Cb 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1pus h ALA 124 CO -0.00 -0.01 0.12 0.87 0.00 0.00 0.00 179.25 180.23 1pus h LYS 125 N 0.71 0.42 0.00 0.00 1.79 -1.48 -2.60 116.57 115.43 1pus h LYS 125 Ca 0.42 -0.07 -0.15 0.00 -2.18 0.00 0.00 60.65 58.67 1pus h LYS 125 Cb 0.61 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.17 1pus h LYS 125 CO -0.18 0.43 -0.71 1.25 -1.08 0.00 0.00 179.45 179.16 1pus h LEU 126 N 0.32 0.00 -0.75 2.94 5.85 -1.22 -3.27 115.31 119.17 1pus h LEU 126 Ca 0.10 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1pus h LEU 126 Cb 0.16 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1pus h LEU 126 CO -0.01 0.71 0.48 0.50 -0.34 0.00 0.00 178.44 179.78 1pus h LYS 127 N 0.00 0.93 0.00 1.25 3.64 0.17 0.17 116.57 122.73 1pus h LYS 127 Ca -0.01 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1pus h LYS 127 Cb 1.45 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1pus h LYS 127 CO 0.09 0.61 0.00 -2.13 -2.27 0.00 0.00 179.45 175.75 1pus n ARG 128 N -4.61 0.56 -0.29 1.90 0.63 -1.00 -4.99 116.66 108.86 1pus n ARG 128 Ca 0.08 0.03 0.00 0.00 -0.92 0.00 0.00 57.85 57.04 1pus n ARG 128 Cb 0.07 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.48 1pus n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40