#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 3.55 -0.01 0.03 3.01 -1.26 -5.09 119.74 119.98 1pus s LYS 2 Ca 0.00 -0.53 0.01 0.00 -1.01 0.00 0.00 55.97 54.44 1pus s LYS 2 Cb 0.00 -3.18 0.00 0.00 -1.01 0.00 0.00 37.83 33.64 1pus s LYS 2 CO 0.00 -0.17 -0.03 -1.59 0.51 0.00 0.00 175.35 174.08 1pus s LYS 3 N 1.49 0.26 -0.05 1.68 -2.85 -1.26 -0.88 119.74 118.12 1pus s LYS 3 Ca 0.06 -0.09 -0.05 0.00 -1.00 0.00 0.00 55.97 54.89 1pus s LYS 3 Cb -0.15 -0.27 0.01 0.00 -2.06 0.00 0.00 37.83 35.36 1pus s LYS 3 CO 0.01 0.04 0.14 -0.48 0.10 0.00 0.00 175.35 175.17 1pus s LEU 4 N 0.06 1.43 0.14 2.77 0.05 0.21 -4.91 118.68 118.43 1pus s LEU 4 Ca -0.00 0.29 0.03 0.00 0.05 0.00 0.00 54.13 54.50 1pus s LEU 4 Cb -0.03 0.49 -0.04 0.00 -2.05 0.00 0.00 46.19 44.57 1pus s LEU 4 CO -0.00 -0.05 0.20 -1.10 -0.55 0.00 0.00 176.35 174.84 1pus s GLN 5 N 0.10 3.18 -0.10 1.48 -0.21 -1.26 -1.82 119.66 121.02 1pus s GLN 5 Ca -0.00 -0.69 -0.05 0.00 0.02 0.00 0.00 55.36 54.64 1pus s GLN 5 Cb -0.01 -2.83 0.05 0.00 1.00 0.00 0.00 33.01 31.22 1pus s GLN 5 CO 0.00 0.52 0.23 0.42 -2.12 0.00 0.00 175.29 174.34 1pus s ILE 6 N -1.68 -0.09 -0.12 1.08 1.09 0.33 -3.53 121.20 118.27 1pus s ILE 6 Ca 0.33 0.18 0.02 0.00 -1.10 0.00 0.00 60.65 60.07 1pus s ILE 6 Cb -0.11 -0.36 0.02 0.00 -1.06 0.00 0.00 42.46 40.94 1pus s ILE 6 CO 0.26 0.07 -0.16 0.00 -0.10 0.00 0.00 174.94 175.01 1pus s ALA 7 N 1.43 1.77 0.25 9.38 0.00 -1.13 -0.48 121.76 132.98 1pus s ALA 7 Ca -0.08 -0.79 0.11 0.00 0.00 0.00 0.00 51.96 51.20 1pus s ALA 7 Cb -0.11 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 22.08 1pus s ALA 7 CO -0.08 -0.12 -0.15 0.14 0.00 0.00 0.00 175.76 175.55 1pus s VAL 8 N 1.05 2.74 -0.20 0.00 -7.23 0.37 -3.77 120.40 113.36 1pus s VAL 8 Ca -0.05 -2.16 -0.04 0.00 -1.81 0.00 0.00 61.98 57.92 1pus s VAL 8 Cb -0.15 -2.42 0.08 0.00 0.56 0.00 0.00 36.38 34.46 1pus s VAL 8 CO -0.03 -0.31 0.15 -0.83 -0.31 0.00 0.00 175.10 173.76 1pus s GLY 9 N -3.33 0.22 -0.71 2.32 0.00 -1.14 0.11 107.32 104.80 1pus s GLY 9 Ca 0.28 -0.18 -0.26 0.00 0.00 0.00 0.00 44.72 44.56 1pus s GLY 9 CO 0.15 1.95 1.84 -1.50 0.00 0.00 0.00 173.10 175.54 1pus s ILE 10 N 2.21 3.42 -0.09 0.90 2.07 -0.53 -4.56 121.20 124.62 1pus s ILE 10 Ca 0.05 0.02 -0.30 0.00 -1.41 0.00 0.00 60.65 59.01 1pus s ILE 10 Cb -0.16 -4.05 -0.04 0.00 0.13 0.00 0.00 42.46 38.34 1pus s ILE 10 CO -0.14 -1.01 1.42 -0.51 -1.91 0.00 0.00 174.94 172.80 1pus s ILE 11 N 9.05 3.92 0.06 2.00 2.07 -1.26 -2.28 121.20 134.76 1pus s ILE 11 Ca 0.65 1.16 -0.09 0.00 -1.41 0.00 0.00 60.65 60.97 1pus s ILE 11 Cb -0.10 -3.75 -0.06 0.00 0.13 0.00 0.00 42.46 38.68 1pus s ILE 11 CO 0.13 -0.08 0.37 -0.13 -1.91 0.00 0.00 174.94 173.33 1pus s ARG 12 N 3.39 3.72 0.19 3.50 0.52 -1.24 -0.22 118.95 128.82 1pus s ARG 12 Ca 0.63 0.12 0.03 0.00 -0.52 0.00 0.00 55.73 55.99 1pus s ARG 12 Cb -0.28 -3.02 0.03 0.00 0.52 0.00 0.00 34.95 32.20 1pus s ARG 12 CO 0.23 0.59 0.24 0.27 0.02 0.00 0.00 175.30 176.64 1pus n ASN 13 N 0.99 0.95 0.00 0.23 6.94 0.30 -3.15 115.26 121.52 1pus n ASN 13 Ca -0.09 -1.55 0.08 0.00 -0.02 0.00 0.00 54.58 53.00 1pus n ASN 13 Cb 0.52 -0.11 0.48 0.00 -2.36 0.00 0.00 39.78 38.31 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 -1.30 0.59 -2.29 -3.83 0.00 -1.26 -3.39 120.64 109.17 1pus n GLU 14 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 57.16 56.99 1pus n GLU 14 Cb 0.21 -1.43 0.02 0.00 0.00 0.00 0.00 31.44 30.24 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 -0.93 4.18 -2.12 4.31 2.85 -1.26 -4.93 115.26 117.37 1pus n ASN 15 Ca 0.12 -3.44 -0.06 0.00 -0.11 0.00 0.00 54.58 51.09 1pus n ASN 15 Cb 0.06 -0.40 -0.01 0.00 1.24 0.00 0.00 39.78 40.66 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 -0.59 -2.23 -4.62 1.20 6.94 -1.22 -4.90 115.26 109.85 1pus n ASN 16 Ca 0.35 0.29 -0.23 0.00 -0.02 0.00 0.00 54.58 54.97 1pus n ASN 16 Cb 0.86 -2.06 -0.08 0.00 -2.36 0.00 0.00 39.78 36.14 1pus n ASN 16 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1pus s GLU 17 N -4.34 2.14 -0.06 -3.83 2.02 -1.26 -4.59 118.70 108.78 1pus s GLU 17 Ca 0.00 -1.56 0.04 0.00 0.02 0.00 0.00 54.97 53.46 1pus s GLU 17 Cb 0.00 -2.04 0.00 0.00 0.10 0.00 0.00 34.13 32.19 1pus s GLU 17 CO 0.00 0.29 -0.17 -1.50 0.02 0.00 0.00 175.26 173.90 1pus s ILE 18 N -2.41 1.46 -0.13 -1.63 2.07 0.77 0.11 121.20 121.44 1pus s ILE 18 Ca 0.32 -0.70 -0.25 0.00 -1.41 0.00 0.00 60.65 58.62 1pus s ILE 18 Cb -0.05 -1.27 -0.02 0.00 0.13 0.00 0.00 42.46 41.25 1pus s ILE 18 CO 0.19 0.42 0.78 0.12 -1.91 0.00 0.00 174.94 174.55 1pus s PHE 19 N 0.29 3.47 -0.14 3.50 5.36 0.70 -2.94 117.98 128.22 1pus s PHE 19 Ca -0.10 1.24 0.01 0.00 -0.96 0.00 0.00 56.93 57.13 1pus s PHE 19 Cb -0.14 -2.94 0.02 0.00 -0.34 0.00 0.00 43.02 39.62 1pus s PHE 19 CO 0.04 -0.13 -0.18 0.96 -1.46 0.00 0.00 175.22 174.45 1pus s ILE 20 N 1.69 1.82 -0.31 3.12 -4.36 -1.25 -4.21 121.20 117.69 1pus s ILE 20 Ca 0.38 -0.82 -0.29 0.00 -0.26 0.00 0.00 60.65 59.66 1pus s ILE 20 Cb -0.17 -1.65 -0.01 0.00 1.25 0.00 0.00 42.46 41.88 1pus s ILE 20 CO 0.15 0.50 1.60 0.42 0.24 0.00 0.00 174.94 177.85 1pus s THR 21 N 1.12 3.71 0.50 8.37 -4.23 0.83 -4.47 115.64 121.46 1pus s THR 21 Ca -0.01 0.76 0.06 0.00 -1.18 0.00 0.00 61.69 61.32 1pus s THR 21 Cb -0.14 -3.85 0.04 0.00 1.34 0.00 0.00 72.50 69.88 1pus s THR 21 CO -0.06 -0.47 0.68 -0.60 -0.54 0.00 0.00 174.62 173.63 1pus s ARG 22 N 5.03 2.59 0.00 3.99 3.00 -1.26 -1.03 118.95 131.27 1pus s ARG 22 Ca 0.70 -1.21 0.06 0.00 -1.00 0.00 0.00 55.73 54.28 1pus s ARG 22 Cb -0.20 -2.65 0.25 0.00 0.00 0.00 0.00 34.95 32.35 1pus s ARG 22 CO 0.31 -0.56 1.18 0.54 0.00 0.00 0.00 175.30 176.77 1pus n ARG 23 N -2.10 0.00 -0.98 5.12 5.12 -1.26 -4.76 116.66 117.80 1pus n ARG 23 Ca 0.10 0.39 0.00 0.00 -1.93 0.00 0.00 57.85 56.41 1pus n ARG 23 Cb 0.60 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.40 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 -1.49 0.00 -3.05 7.54 0.00 -1.26 -4.10 120.51 118.15 1pus n ALA 24 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.35 1pus n ALA 24 Cb 0.07 -0.38 0.01 0.00 0.00 0.00 0.00 19.45 19.15 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 1.00 -2.76 -2.65 0.00 0.00 -1.26 -5.00 120.51 109.83 1pus n ALA 25 Ca 0.00 0.62 -0.03 0.00 0.00 0.00 0.00 53.44 54.04 1pus n ALA 25 Cb 0.11 -2.71 0.12 0.00 0.00 0.00 0.00 19.45 16.97 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 -0.91 -1.08 -1.64 0.00 5.68 -1.26 -5.12 116.55 112.22 1pus n ASP 26 Ca 0.03 -1.62 0.01 0.00 -0.50 0.00 0.00 54.79 52.70 1pus n ASP 26 Cb 0.51 1.02 0.00 0.00 -1.14 0.00 0.00 41.12 41.52 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 0.56 -0.82 -1.02 2.12 0.00 -1.26 -5.01 120.51 115.08 1pus n ALA 27 Ca -0.07 -0.18 -0.20 0.00 0.00 0.00 0.00 53.44 53.00 1pus n ALA 27 Cb 0.76 0.03 0.18 0.00 0.00 0.00 0.00 19.45 20.42 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 -0.21 2.75 -2.69 0.00 -0.00 -1.26 -4.36 115.22 109.45 1pus n HIS 28 Ca 0.01 -1.65 -0.06 0.00 0.46 0.00 0.00 57.72 56.49 1pus n HIS 28 Cb 0.13 -0.86 0.08 0.00 -0.12 0.00 0.00 29.99 29.22 1pus n HIS 28 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 1pus n MET 29 N -0.88 0.60 0.00 1.57 2.81 -1.26 -4.98 117.12 114.97 1pus n MET 29 Ca 0.53 -1.25 0.09 0.00 -1.81 0.00 0.00 57.70 55.25 1pus n MET 29 Cb 1.54 -0.33 0.40 0.00 -0.71 0.00 0.00 33.22 34.13 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 -0.00 1.86 -0.45 3.04 0.00 -1.26 -3.11 120.51 120.59 1pus n ALA 30 Ca -0.07 -0.07 -0.16 0.00 0.00 0.00 0.00 53.44 53.14 1pus n ALA 30 Cb 0.74 -1.29 0.11 0.00 0.00 0.00 0.00 19.45 19.00 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 3.81 -0.88 0.00 5.03 -1.26 -4.17 115.26 116.35 1pus n ASN 31 Ca 0.06 -3.03 0.02 0.00 0.87 0.00 0.00 54.58 52.50 1pus n ASN 31 Cb 0.19 -0.74 0.21 0.00 -1.02 0.00 0.00 39.78 38.41 1pus n ASN 31 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1pus n LYS 32 N -0.47 1.98 -1.70 3.52 4.01 -0.61 -3.07 118.16 121.82 1pus n LYS 32 Ca 0.37 -3.05 -0.63 0.00 -0.51 0.00 0.00 58.31 54.50 1pus n LYS 32 Cb 1.17 -1.76 -0.09 0.00 -0.51 0.00 0.00 35.03 33.84 1pus n LYS 32 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1pus n LEU 33 N -1.03 1.45 0.00 -0.35 0.00 0.35 -4.27 117.00 113.15 1pus n LEU 33 Ca 0.26 1.15 -0.12 0.00 0.00 0.00 0.00 56.01 57.30 1pus n LEU 33 Cb 0.91 -0.98 -0.05 0.00 0.00 0.00 0.00 43.42 43.30 1pus n LEU 33 CO 0.13 -0.84 -0.05 -0.62 0.00 0.00 0.00 177.39 176.01 1pus n GLU 34 N 4.06 0.27 -4.52 1.96 1.02 -0.20 -3.51 120.64 119.73 1pus n GLU 34 Ca 0.28 -2.04 -0.25 0.00 -0.02 0.00 0.00 57.16 55.13 1pus n GLU 34 Cb 0.02 1.69 -0.10 0.00 -0.02 0.00 0.00 31.44 33.04 1pus n GLU 34 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1pus s PHE 35 N -2.91 2.37 1.13 -0.32 0.40 -1.26 -0.12 117.98 117.27 1pus s PHE 35 Ca 0.24 -0.44 -0.14 0.00 -0.60 0.00 0.00 56.93 55.99 1pus s PHE 35 Cb 0.01 -1.25 0.21 0.00 0.51 0.00 0.00 43.02 42.50 1pus s PHE 35 CO 0.17 0.63 0.69 -0.35 0.70 0.00 0.00 175.22 177.06 1pus n PRO 36 N -0.74 -1.98 0.00 0.24 -0.04 -1.26 -4.77 135.00 126.45 1pus n PRO 36 Ca -0.05 -0.55 0.00 0.00 -0.04 0.00 0.00 63.50 62.86 1pus n PRO 36 Cb 0.62 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 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 1.29 0.84 2.99 0.55 0.00 -1.25 -2.87 105.19 106.74 1pus n GLY 37 Ca 0.03 -0.80 -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 -1.75 0.85 0.00 -0.02 0.00 -1.25 -2.84 107.32 102.32 1pus s GLY 38 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 44.72 44.20 1pus s GLY 38 CO 0.00 0.35 0.00 1.17 0.00 0.00 0.00 173.10 174.62 1pus n LYS 39 N 4.23 0.00 -0.05 2.90 4.81 -1.26 -4.96 118.16 123.83 1pus n LYS 39 Ca -0.19 0.00 0.24 0.00 -0.87 0.00 0.00 58.31 57.49 1pus n LYS 39 Cb 0.51 0.00 0.72 0.00 0.02 0.00 0.00 35.03 36.28 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 0.00 3.15 3.07 -1.84 -3.06 117.51 119.28 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 0.57 0.00 0.00 -0.27 0.00 0.00 36.82 37.12 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 -3.97 0.00 0.00 0.16 0.28 -1.23 -4.05 120.64 111.84 1pus n GLU 41 Ca 0.13 0.35 0.00 0.00 -0.16 0.00 0.00 57.16 57.48 1pus n GLU 41 Cb 0.82 -0.98 0.00 0.00 1.43 0.00 0.00 31.44 32.71 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 -0.84 0.00 -0.77 3.44 2.81 -1.16 -1.87 117.12 118.74 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 0.41 2.50 3.03 0.00 -1.26 -5.13 105.19 104.74 1pus n GLY 43 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 0.40 -4.11 1.61 4.71 -0.78 -5.08 120.64 117.39 1pus n GLU 44 Ca -0.17 -1.86 -0.26 0.00 -0.01 0.00 0.00 57.16 54.87 1pus n GLU 44 Cb 0.55 -0.31 -0.06 0.00 -1.01 0.00 0.00 31.44 30.61 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 -1.65 4.32 0.61 2.62 2.01 -1.26 -4.77 115.64 117.52 1pus s THR 45 Ca 0.41 -1.21 0.26 0.00 0.31 0.00 0.00 61.69 61.46 1pus s THR 45 Cb -0.03 -3.22 0.36 0.00 0.01 0.00 0.00 72.50 69.62 1pus s THR 45 CO 0.27 -0.15 1.51 1.55 -0.69 0.00 0.00 174.62 177.10 1pus h PRO 46 N 2.31 0.00 0.00 4.92 0.13 -1.98 1.61 132.00 139.00 1pus h PRO 46 Ca -0.48 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.30 1pus h PRO 46 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 1pus h PRO 46 CO 0.62 0.00 -1.96 0.39 -0.23 0.00 0.00 178.00 176.82 1pus n GLU 47 N -3.31 0.58 0.15 0.86 -0.58 -1.26 -4.43 120.64 112.65 1pus n GLU 47 Ca 0.15 0.40 0.04 0.00 -0.42 0.00 0.00 57.16 57.34 1pus n GLU 47 Cb 1.16 -1.61 0.05 0.00 -0.57 0.00 0.00 31.44 30.46 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 -0.96 0.00 -0.43 3.49 4.20 -1.64 -3.05 115.11 116.72 1pus h GLN 48 Ca -0.54 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.23 1pus h GLN 48 Cb 1.49 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.22 1pus h GLN 48 CO -0.31 0.41 0.12 0.00 -0.67 0.00 0.00 178.83 178.38 1pus h ALA 49 N 1.59 0.50 0.03 3.87 0.00 0.21 0.64 119.26 126.09 1pus h ALA 49 Ca -0.01 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1pus h ALA 49 Cb 1.32 0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.18 1pus h ALA 49 CO 0.05 -0.27 -0.27 -0.39 0.00 0.00 0.00 179.25 178.37 1pus h VAL 50 N 0.27 1.63 -0.77 0.00 -1.51 -1.75 -1.88 116.25 112.24 1pus h VAL 50 Ca 0.21 -2.21 0.08 0.00 -1.23 0.00 0.00 66.70 63.55 1pus h VAL 50 Cb 0.22 3.09 -0.05 0.00 -2.13 0.00 0.00 31.29 32.42 1pus h VAL 50 CO -0.24 0.60 0.50 0.58 -1.23 0.00 0.00 177.57 177.78 1pus h VAL 51 N -0.66 0.98 0.01 7.19 2.07 -1.41 1.04 116.25 125.46 1pus h VAL 51 Ca -0.04 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1pus h VAL 51 Cb 1.13 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1pus h VAL 51 CO 0.05 0.14 -0.00 0.03 0.02 0.00 0.00 177.57 177.81 1pus h ARG 52 N 0.75 -0.01 0.00 1.57 3.08 0.22 -3.30 114.38 116.68 1pus h ARG 52 Ca 0.34 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.36 1pus h ARG 52 Cb 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1pus h ARG 52 CO -0.13 0.84 -0.15 0.93 -1.07 0.00 0.00 179.97 180.40 1pus h GLU 53 N -0.92 0.00 -0.75 0.04 4.39 -1.05 -2.92 114.58 113.36 1pus h GLU 53 Ca -0.00 0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.84 1pus h GLU 53 Cb 0.86 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.41 1pus h GLU 53 CO 0.00 0.15 0.31 1.25 -1.16 0.00 0.00 179.01 179.57 1pus h LEU 54 N 0.00 0.31 -1.46 1.33 5.85 0.10 0.96 115.31 122.41 1pus h LEU 54 Ca -0.00 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1pus h LEU 54 Cb 0.46 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1pus h LEU 54 CO 0.02 0.13 0.13 1.56 -0.34 0.00 0.00 178.44 179.94 1pus h GLN 55 N 0.47 0.49 0.00 1.25 7.50 -1.66 1.24 115.11 124.41 1pus h GLN 55 Ca 0.41 -0.06 -0.12 0.00 0.50 0.00 0.00 58.65 59.38 1pus h GLN 55 Cb 0.60 -0.09 -0.02 0.00 0.05 0.00 0.00 27.48 28.02 1pus h GLN 55 CO -0.39 0.42 -0.56 1.49 -1.50 0.00 0.00 178.83 178.30 1pus h GLU 56 N 0.50 0.00 -0.24 1.46 4.81 0.13 0.57 114.58 121.80 1pus h GLU 56 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1pus h GLU 56 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1pus h GLU 56 CO -0.01 0.56 0.00 0.39 -0.73 0.00 0.00 179.01 179.21 1pus n GLU 57 N -3.35 1.94 0.00 1.92 1.02 0.27 0.19 120.64 122.63 1pus n GLU 57 Ca 0.01 -1.79 0.00 0.00 -0.02 0.00 0.00 57.16 55.36 1pus n GLU 57 Cb 0.70 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 1pus n GLU 57 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1pus n VAL 58 N 0.80 0.00 0.00 2.62 0.31 0.42 -4.19 118.33 118.29 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 -0.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 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 1.99 0.63 2.84 2.92 0.00 0.20 0.94 105.19 114.70 1pus n GLY 59 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.68 -0.61 -5.35 -1.26 -4.86 119.36 103.60 1pus n ILE 60 Ca 0.00 -0.65 -0.37 0.00 -0.27 0.00 0.00 62.75 61.46 1pus n ILE 60 Cb 0.00 -1.52 -0.09 0.00 -1.74 0.00 0.00 39.64 36.29 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 -3.02 3.94 0.21 7.28 -4.23 -1.26 -4.92 115.64 113.63 1pus s THR 61 Ca 0.56 -3.04 0.07 0.00 -1.18 0.00 0.00 61.69 58.10 1pus s THR 61 Cb -0.02 -3.54 -0.04 0.00 1.34 0.00 0.00 72.50 70.24 1pus s THR 61 CO 0.40 -0.91 0.08 -2.16 -0.54 0.00 0.00 174.62 171.49 1pus s PRO 62 N -0.21 2.64 -1.27 3.99 0.04 -1.26 -2.96 135.00 135.96 1pus s PRO 62 Ca 0.18 -1.09 -0.19 0.00 0.04 0.00 0.00 61.00 59.95 1pus s PRO 62 Cb -0.18 -2.45 0.04 0.00 0.04 0.00 0.00 34.50 31.95 1pus s PRO 62 CO -0.05 0.43 1.78 -0.65 0.04 0.00 0.00 177.00 178.55 1pus s GLN 63 N -3.33 3.68 -0.11 4.56 -0.21 0.35 -4.85 119.66 119.75 1pus s GLN 63 Ca 0.30 -1.82 0.01 0.00 0.02 0.00 0.00 55.36 53.87 1pus s GLN 63 Cb -0.09 -5.48 0.02 0.00 1.00 0.00 0.00 33.01 28.46 1pus s GLN 63 CO 0.22 -2.61 -0.12 -1.58 -2.12 0.00 0.00 175.29 169.07 1pus s HIS 64 N 5.62 1.75 -0.22 0.91 2.46 -1.24 0.12 115.29 124.69 1pus s HIS 64 Ca 0.57 -0.83 -0.37 0.00 0.47 0.00 0.00 55.06 54.90 1pus s HIS 64 Cb 0.03 -1.32 0.15 0.00 -0.13 0.00 0.00 32.58 31.31 1pus s HIS 64 CO 0.09 -0.47 1.38 0.12 -2.47 0.00 0.00 174.74 173.39 1pus s PHE 65 N 1.18 -0.02 0.00 3.88 5.36 -1.24 -4.95 117.98 122.19 1pus s PHE 65 Ca -0.04 0.01 0.00 0.00 -0.96 0.00 0.00 56.93 55.94 1pus s PHE 65 Cb -0.14 0.50 0.00 0.00 -0.34 0.00 0.00 43.02 43.04 1pus s PHE 65 CO -0.03 -0.04 0.00 0.45 -1.46 0.00 0.00 175.22 174.13 1pus n SER 66 N -0.15 0.00 -4.34 6.13 2.88 -1.26 -4.23 113.62 112.65 1pus n SER 66 Ca 0.01 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.21 1pus n SER 66 Cb 0.58 0.34 -0.14 0.00 -0.75 0.00 0.00 64.21 64.24 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 -2.89 2.75 0.08 2.46 0.05 -1.26 0.11 118.68 119.98 1pus s LEU 67 Ca 0.00 -0.36 -0.08 0.00 0.05 0.00 0.00 54.13 53.74 1pus s LEU 67 Cb 0.00 -1.65 -0.23 0.00 -2.05 0.00 0.00 46.19 42.26 1pus s LEU 67 CO 0.00 0.10 1.17 2.19 -0.55 0.00 0.00 176.35 179.26 1pus h PHE 68 N 7.22 0.69 -1.89 3.48 -0.00 -1.63 -3.42 116.94 121.39 1pus h PHE 68 Ca -0.32 -0.45 0.19 0.00 -0.00 0.00 0.00 57.97 57.40 1pus h PHE 68 Cb 1.19 -0.05 -0.16 0.00 -0.00 0.00 0.00 35.95 36.93 1pus h PHE 68 CO 0.53 1.31 0.65 -1.21 -0.00 0.00 0.00 178.31 179.58 1pus s GLU 69 N -2.92 0.62 -0.06 6.09 2.02 -0.65 -5.00 118.70 118.80 1pus s GLU 69 Ca -0.06 -0.26 -0.03 0.00 0.02 0.00 0.00 54.97 54.64 1pus s GLU 69 Cb 0.07 0.27 0.03 0.00 0.10 0.00 0.00 34.13 34.60 1pus s GLU 69 CO 0.90 -0.27 0.13 -1.59 0.02 0.00 0.00 175.26 174.44 1pus s LYS 70 N -2.80 0.09 -0.17 1.61 -2.85 -1.26 -0.40 119.74 113.96 1pus s LYS 70 Ca 0.08 0.31 0.01 0.00 -1.00 0.00 0.00 55.97 55.37 1pus s LYS 70 Cb -0.00 -0.14 0.01 0.00 -2.06 0.00 0.00 37.83 35.64 1pus s LYS 70 CO -0.06 -0.13 -0.19 -1.17 0.10 0.00 0.00 175.35 173.90 1pus s LEU 71 N 0.93 2.22 -0.26 2.77 2.96 0.10 -4.95 118.68 122.45 1pus s LEU 71 Ca -0.07 -0.60 0.03 0.00 -0.22 0.00 0.00 54.13 53.27 1pus s LEU 71 Cb -0.09 -1.50 0.06 0.00 0.50 0.00 0.00 46.19 45.16 1pus s LEU 71 CO -0.04 0.03 -0.10 -0.70 -1.32 0.00 0.00 176.35 174.22 1pus s GLU 72 N 1.12 2.14 0.02 1.98 2.12 -1.26 -1.34 118.70 123.48 1pus s GLU 72 Ca 0.01 -1.29 -0.02 0.00 0.36 0.00 0.00 54.97 54.02 1pus s GLU 72 Cb -0.14 -2.84 -0.02 0.00 0.26 0.00 0.00 34.13 31.39 1pus s GLU 72 CO -0.08 -0.58 0.01 1.52 -0.54 0.00 0.00 175.26 175.59 1pus s TYR 73 N 1.15 0.23 -0.15 5.30 1.13 -1.16 -5.04 117.35 118.80 1pus s TYR 73 Ca -0.08 -0.49 0.01 0.00 -1.41 0.00 0.00 57.07 55.10 1pus s TYR 73 Cb -0.20 -0.17 0.02 0.00 -1.10 0.00 0.00 41.96 40.50 1pus s TYR 73 CO -0.05 -0.23 -0.19 -1.83 -2.51 0.00 0.00 175.55 170.74 1pus s GLU 74 N -1.66 2.82 0.85 -3.49 -1.05 -1.26 -2.13 118.70 112.78 1pus s GLU 74 Ca -0.14 -0.77 -0.11 0.00 -0.15 0.00 0.00 54.97 53.80 1pus s GLU 74 Cb -0.08 -2.39 0.10 0.00 -0.44 0.00 0.00 34.13 31.32 1pus s GLU 74 CO -0.01 -0.13 1.09 -0.06 0.95 0.00 0.00 175.26 177.10 1pus s PHE 75 N 1.12 2.43 -0.70 4.83 0.40 0.36 -4.78 117.98 121.65 1pus s PHE 75 Ca -0.00 1.37 -0.17 0.00 -0.60 0.00 0.00 56.93 57.53 1pus s PHE 75 Cb -0.14 -3.12 -0.16 0.00 0.51 0.00 0.00 43.02 40.11 1pus s PHE 75 CO -0.08 -2.15 1.82 -0.35 0.70 0.00 0.00 175.22 175.16 1pus n PRO 76 N -3.73 0.12 -0.20 0.24 -0.04 -1.26 0.12 135.00 130.25 1pus n PRO 76 Ca 0.08 -0.87 0.00 0.00 -0.04 0.00 0.00 63.50 62.66 1pus n PRO 76 Cb 0.54 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 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 13.54 -0.61 -3.99 3.54 -0.08 -1.26 -5.09 116.55 122.60 1pus n ASP 77 Ca 0.32 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.47 1pus n ASP 77 Cb 0.44 -0.10 -0.12 0.00 2.34 0.00 0.00 41.12 43.67 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 -0.54 0.39 -0.47 -0.67 3.52 0.33 -4.19 118.95 117.32 1pus s ARG 78 Ca 0.00 -0.47 0.02 0.00 -0.13 0.00 0.00 55.73 55.15 1pus s ARG 78 Cb 0.00 -0.21 0.12 0.00 -1.56 0.00 0.00 34.95 33.31 1pus s ARG 78 CO 0.00 0.04 0.22 -1.58 -0.81 0.00 0.00 175.30 173.17 1pus s HIS 79 N -0.87 3.43 -0.36 5.12 2.46 -0.06 0.14 115.29 125.15 1pus s HIS 79 Ca -0.07 -2.99 -0.12 0.00 0.47 0.00 0.00 55.06 52.36 1pus s HIS 79 Cb -0.06 -2.94 0.01 0.00 -0.13 0.00 0.00 32.58 29.45 1pus s HIS 79 CO -0.00 -0.84 0.22 -1.50 -2.47 0.00 0.00 174.74 170.15 1pus s ILE 80 N 0.23 4.79 -0.23 0.89 2.07 -0.91 0.65 121.20 128.69 1pus s ILE 80 Ca 0.14 -0.67 -0.07 0.00 -1.41 0.00 0.00 60.65 58.65 1pus s ILE 80 Cb -0.23 -3.60 -0.03 0.00 0.13 0.00 0.00 42.46 38.73 1pus s ILE 80 CO -0.03 -0.17 0.06 0.42 -1.91 0.00 0.00 174.94 173.31 1pus s THR 81 N 1.61 4.38 -0.21 4.00 -4.23 -0.76 -2.98 115.64 117.45 1pus s THR 81 Ca 0.04 -0.16 0.01 0.00 -1.18 0.00 0.00 61.69 60.40 1pus s THR 81 Cb -0.19 -3.03 0.04 0.00 1.34 0.00 0.00 72.50 70.67 1pus s THR 81 CO 0.08 0.37 -0.13 -0.76 -0.54 0.00 0.00 174.62 173.64 1pus s LEU 82 N 1.31 2.54 -0.24 4.79 1.43 -0.45 0.12 118.68 128.19 1pus s LEU 82 Ca 0.05 -0.96 -0.08 0.00 -1.03 0.00 0.00 54.13 52.11 1pus s LEU 82 Cb -0.15 -1.37 -0.03 0.00 0.03 0.00 0.00 46.19 44.67 1pus s LEU 82 CO 0.03 -0.12 0.08 0.26 0.23 0.00 0.00 176.35 176.83 1pus s TRP 83 N 1.30 3.13 -0.41 0.29 0.52 0.37 -0.72 118.94 123.42 1pus s TRP 83 Ca -0.02 -0.24 -0.16 0.00 0.02 0.00 0.00 56.10 55.71 1pus s TRP 83 Cb -0.16 -2.21 0.02 0.00 -1.15 0.00 0.00 33.47 29.96 1pus s TRP 83 CO -0.08 -0.21 0.36 -0.06 0.02 0.00 0.00 176.95 176.97 1pus s PHE 84 N 1.32 3.21 0.13 -1.98 0.40 0.46 0.14 117.98 121.67 1pus s PHE 84 Ca 0.05 -0.49 -0.07 0.00 -0.60 0.00 0.00 56.93 55.82 1pus s PHE 84 Cb -0.15 -2.71 -0.06 0.00 0.51 0.00 0.00 43.02 40.61 1pus s PHE 84 CO 0.04 -0.63 0.40 -1.58 0.70 0.00 0.00 175.22 174.15 1pus s TRP 85 N 1.87 3.50 -0.49 0.36 0.52 0.31 -1.63 118.94 123.38 1pus s TRP 85 Ca 0.08 0.66 -0.15 0.00 0.02 0.00 0.00 56.10 56.70 1pus s TRP 85 Cb -0.18 -2.08 0.09 0.00 -1.15 0.00 0.00 33.47 30.15 1pus s TRP 85 CO 0.11 0.44 0.42 -1.17 0.02 0.00 0.00 176.95 176.77 1pus s LEU 86 N -2.45 5.75 0.13 2.99 1.98 0.29 -1.45 118.68 125.92 1pus s LEU 86 Ca 0.39 -1.45 -0.12 0.00 -2.89 0.00 0.00 54.13 50.06 1pus s LEU 86 Cb -0.12 -2.18 -0.06 0.00 0.66 0.00 0.00 46.19 44.48 1pus s LEU 86 CO 0.22 -0.70 0.49 -0.69 -1.89 0.00 0.00 176.35 173.79 1pus s VAL 87 N 1.62 4.95 -0.08 1.68 1.01 -0.97 -3.70 120.40 124.91 1pus s VAL 87 Ca 0.04 0.65 0.08 0.00 0.00 0.00 0.00 61.98 62.75 1pus s VAL 87 Cb -0.26 -3.69 -0.11 0.00 0.00 0.00 0.00 36.38 32.32 1pus s VAL 87 CO 0.05 0.23 0.04 -0.62 0.00 0.00 0.00 175.10 174.81 1pus n GLU 88 N 0.76 2.49 -3.65 2.72 -0.58 -0.69 -3.68 120.64 118.00 1pus n GLU 88 Ca -0.06 -0.01 -0.08 0.00 -0.42 0.00 0.00 57.16 56.60 1pus n GLU 88 Cb 0.52 -1.22 -0.02 0.00 -0.57 0.00 0.00 31.44 30.15 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 -2.23 1.31 -0.14 3.49 6.06 0.33 -4.41 118.95 123.36 1pus s ARG 89 Ca -0.04 -0.64 -0.09 0.00 -2.50 0.00 0.00 55.73 52.47 1pus s ARG 89 Cb 0.03 0.51 0.05 0.00 0.06 0.00 0.00 34.95 35.59 1pus s ARG 89 CO 0.35 -0.59 0.34 1.67 -2.50 0.00 0.00 175.30 174.57 1pus s TRP 90 N -3.55 -0.46 -0.05 5.12 -2.14 -1.19 0.13 118.94 116.81 1pus s TRP 90 Ca 0.08 1.03 -0.29 0.00 2.66 0.00 0.00 56.10 59.58 1pus s TRP 90 Cb -0.03 0.16 -0.03 0.00 -3.10 0.00 0.00 33.47 30.48 1pus s TRP 90 CO -0.02 -0.27 0.94 -1.21 -2.66 0.00 0.00 176.95 173.73 1pus s GLU 91 N 1.03 4.49 7.21 3.25 2.02 -1.16 -4.76 118.70 130.79 1pus s GLU 91 Ca -0.07 1.31 0.00 0.00 0.02 0.00 0.00 54.97 56.23 1pus s GLU 91 Cb -0.07 -3.49 0.00 0.00 0.10 0.00 0.00 34.13 30.67 1pus s GLU 91 CO -0.08 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.49 1pus n GLY 92 N 3.02 2.18 2.99 -1.39 0.00 -1.26 -4.47 105.19 106.25 1pus n GLY 92 Ca 0.06 -0.30 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 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 0.53 0.01 1.61 2.02 -1.26 -5.12 118.70 116.49 1pus s GLU 93 Ca 0.00 -0.29 -0.30 0.00 0.02 0.00 0.00 54.97 54.40 1pus s GLU 93 Cb 0.00 -0.49 -0.04 0.00 0.10 0.00 0.00 34.13 33.70 1pus s GLU 93 CO 0.00 0.13 1.12 -2.14 0.02 0.00 0.00 175.26 174.39 1pus s PRO 94 N -0.30 4.46 0.14 0.39 0.02 -1.26 -4.63 135.00 133.81 1pus s PRO 94 Ca 0.01 1.62 0.00 0.00 0.02 0.00 0.00 61.00 62.66 1pus s PRO 94 Cb -0.03 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 31.06 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 -1.16 0.00 6.54 4.27 0.29 -4.98 117.44 126.61 1pus n TRP 95 Ca 0.08 0.20 0.00 0.00 -3.89 0.00 0.00 57.50 53.90 1pus n TRP 95 Cb 0.48 0.46 0.00 0.00 -1.36 0.00 0.00 31.31 30.89 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 1.82 0.52 0.00 -1.67 0.00 0.27 -3.74 105.19 102.39 1pus n GLY 96 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.77 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 0.14 1.61 4.81 0.49 -4.67 118.16 120.55 1pus n LYS 97 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 1pus n LYS 97 Cb 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 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 -0.30 0.00 1.64 4.11 -1.73 -3.46 114.58 114.84 1pus h GLU 98 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.45 1pus h GLU 98 Cb 0.00 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1pus h GLU 98 CO 0.00 -0.20 0.00 0.41 0.07 0.00 0.00 179.01 179.29 1pus n GLY 99 N -1.24 1.38 2.54 1.06 0.00 -1.26 -5.00 105.19 102.67 1pus n GLY 99 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 0.23 0.24 1.61 -1.52 -1.26 -5.13 119.66 113.83 1pus s GLN 100 Ca 0.00 -0.60 -0.28 0.00 -1.95 0.00 0.00 55.36 52.53 1pus s GLN 100 Cb 0.00 -1.16 -0.16 0.00 -0.22 0.00 0.00 33.01 31.47 1pus s GLN 100 CO 0.00 -1.04 0.71 -2.30 -0.25 0.00 0.00 175.29 172.41 1pus n PRO 101 N 5.12 0.54 -4.40 2.91 -0.02 -1.26 -4.42 135.00 133.47 1pus n PRO 101 Ca -0.04 0.19 -0.22 0.00 -2.02 0.00 0.00 63.50 61.41 1pus n PRO 101 Cb 0.42 -1.34 -0.08 0.00 -0.02 0.00 0.00 33.50 32.47 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 -0.83 2.38 0.14 -1.23 0.00 -1.26 -4.34 107.32 102.19 1pus s GLY 102 Ca 0.62 -1.60 0.06 0.00 0.00 0.00 0.00 44.72 43.79 1pus s GLY 102 CO 0.58 -1.67 -0.13 -1.83 0.00 0.00 0.00 173.10 170.05 1pus s GLU 103 N -3.67 1.08 -0.51 2.90 -1.05 -1.26 -5.00 118.70 111.19 1pus s GLU 103 Ca 0.31 -1.36 -0.28 0.00 -0.15 0.00 0.00 54.97 53.49 1pus s GLU 103 Cb 0.03 -0.84 0.01 0.00 -0.44 0.00 0.00 34.13 32.89 1pus s GLU 103 CO 0.19 0.14 1.47 -1.58 0.95 0.00 0.00 175.26 176.43 1pus s TRP 104 N -2.67 2.23 0.13 4.83 0.51 -1.26 -3.91 118.94 118.79 1pus s TRP 104 Ca 0.14 0.56 0.11 0.00 -2.12 0.00 0.00 56.10 54.79 1pus s TRP 104 Cb -0.02 -4.33 -0.04 0.00 -0.81 0.00 0.00 33.47 28.27 1pus s TRP 104 CO 0.03 -2.07 -0.27 0.00 -0.51 0.00 0.00 176.95 174.13 1pus s MET 105 N 5.48 1.41 -0.18 4.98 0.23 -1.15 -4.92 119.30 125.14 1pus s MET 105 Ca 0.58 -1.33 -0.29 0.00 -1.03 0.00 0.00 55.69 53.62 1pus s MET 105 Cb -0.12 -1.88 -0.04 0.00 -1.53 0.00 0.00 34.83 31.25 1pus s MET 105 CO 0.27 0.45 1.77 -1.54 -2.03 0.00 0.00 175.02 173.94 1pus s SER 106 N -2.02 6.24 0.50 -1.18 1.04 -1.26 -0.16 113.70 116.85 1pus s SER 106 Ca 0.14 1.82 0.32 0.00 0.48 0.00 0.00 55.95 58.71 1pus s SER 106 Cb -0.10 -2.53 1.32 0.00 0.10 0.00 0.00 66.02 64.81 1pus s SER 106 CO 0.06 -1.34 1.94 0.25 0.98 0.00 0.00 173.24 175.12 1pus h LEU 107 N 12.08 0.00 -1.90 2.42 7.12 -1.81 -2.95 115.31 130.28 1pus h LEU 107 Ca -0.37 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.64 1pus h LEU 107 Cb 1.18 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.31 1pus h LEU 107 CO 0.99 0.00 0.17 1.62 -0.13 0.00 0.00 178.44 181.09 1pus h VAL 108 N 0.00 0.00 -0.99 1.05 3.04 -1.88 -2.04 116.25 115.43 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 0.47 0.63 -0.41 0.00 -2.01 0.00 0.00 31.29 29.97 1pus h VAL 108 CO 0.00 0.00 -0.93 0.61 -1.01 0.00 0.00 177.57 176.24 1pus n GLY 109 N -1.21 4.29 3.74 3.17 0.00 -1.12 -5.02 105.19 109.05 1pus n GLY 109 Ca -0.02 -2.08 -0.36 0.00 0.00 0.00 0.00 46.02 43.56 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 -3.51 3.58 -0.12 0.99 0.20 -0.77 -5.02 118.68 114.03 1pus s LEU 110 Ca 0.40 2.49 0.03 0.00 0.69 0.00 0.00 54.13 57.74 1pus s LEU 110 Cb 0.40 -4.61 0.00 0.00 -0.43 0.00 0.00 46.19 41.56 1pus s LEU 110 CO -0.05 -1.86 -0.22 0.20 -0.29 0.00 0.00 176.35 174.14 1pus s ASN 111 N -1.55 3.21 0.26 3.68 -0.87 -1.26 -4.98 114.94 113.43 1pus s ASN 111 Ca 0.79 -0.56 0.25 0.00 -1.57 0.00 0.00 52.86 51.77 1pus s ASN 111 Cb -0.34 -1.45 0.95 0.00 -0.02 0.00 0.00 41.25 40.40 1pus s ASN 111 CO 0.37 0.12 1.74 0.00 -2.57 0.00 0.00 177.10 176.76 1pus n ALA 112 N 3.81 1.80 -0.04 0.60 0.00 -1.26 -2.81 120.51 122.60 1pus n ALA 112 Ca -0.19 0.07 -0.15 0.00 0.00 0.00 0.00 53.44 53.17 1pus n ALA 112 Cb 0.52 -1.41 -0.12 0.00 0.00 0.00 0.00 19.45 18.43 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 0.09 -0.15 0.00 3.58 -1.93 -3.33 116.42 114.68 1pus h ASP 113 Ca 0.00 -0.89 -0.09 0.00 0.42 0.00 0.00 57.03 56.48 1pus h ASP 113 Cb 0.46 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 1pus h ASP 113 CO 0.00 0.97 -0.18 -2.24 -2.88 0.00 0.00 179.24 174.90 1pus h ASP 114 N -0.77 0.55 -3.76 2.28 2.03 -1.82 -3.44 116.42 111.49 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 1.00 -0.15 0.07 0.00 -0.83 0.00 0.00 39.33 39.42 1pus h ASP 114 CO 0.02 0.75 0.22 0.72 -1.03 0.00 0.00 179.24 179.92 1pus s PHE 115 N -4.63 3.04 0.09 4.15 -0.71 -1.12 0.13 117.98 118.92 1pus s PHE 115 Ca -0.08 0.53 -0.31 0.00 -1.04 0.00 0.00 56.93 56.04 1pus s PHE 115 Cb 0.14 -3.05 -0.08 0.00 -1.21 0.00 0.00 43.02 38.82 1pus s PHE 115 CO 0.79 -1.22 1.49 -1.25 -1.34 0.00 0.00 175.22 173.69 1pus s PRO 116 N -5.18 4.26 0.56 1.99 0.04 -1.17 -4.49 135.00 131.02 1pus s PRO 116 Ca 0.58 2.16 0.37 0.00 0.04 0.00 0.00 61.00 64.15 1pus s PRO 116 Cb -0.11 -3.39 1.79 0.00 0.04 0.00 0.00 34.50 32.83 1pus s PRO 116 CO 0.45 -0.57 2.11 -1.00 0.04 0.00 0.00 177.00 178.03 1pus h PRO 117 N 7.41 0.00 0.00 0.56 0.13 -1.81 -2.30 132.00 135.98 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 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.67 1pus n ALA 118 N -2.04 1.87 -1.50 -0.56 0.00 -1.26 -2.82 120.51 114.20 1pus n ALA 118 Ca -0.01 -0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.37 1pus n ALA 118 Cb 0.18 -1.30 0.20 0.00 0.00 0.00 0.00 19.45 18.53 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 2.15 0.10 0.00 5.03 -0.87 -4.73 115.26 115.48 1pus n ASN 119 Ca 0.05 -3.81 -0.04 0.00 0.87 0.00 0.00 54.58 51.66 1pus n ASN 119 Cb 0.21 -0.58 0.14 0.00 -1.02 0.00 0.00 39.78 38.53 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 0.99 0.17 -0.90 3.52 4.11 -1.68 -3.16 114.58 117.62 1pus h GLU 120 Ca 0.11 -0.11 0.15 0.00 0.07 0.00 0.00 59.36 59.58 1pus h GLU 120 Cb 1.35 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.54 1pus h GLU 120 CO 0.20 0.71 0.58 -1.35 0.07 0.00 0.00 179.01 179.23 1pus h PRO 121 N 0.12 0.68 0.01 1.06 0.11 -1.87 1.55 132.00 133.67 1pus h PRO 121 Ca -0.01 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 1pus h PRO 121 Cb 1.08 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1pus h PRO 121 CO 0.09 0.45 -0.19 0.28 -0.21 0.00 0.00 178.00 178.41 1pus h VAL 122 N 0.70 1.63 -0.01 3.15 2.07 -1.95 -3.30 116.25 118.54 1pus h VAL 122 Ca 0.46 -2.10 -0.08 0.00 0.82 0.00 0.00 66.70 65.80 1pus h VAL 122 Cb 0.74 3.01 -0.01 0.00 -1.52 0.00 0.00 31.29 33.50 1pus h VAL 122 CO -0.21 0.56 -0.37 0.40 0.02 0.00 0.00 177.57 177.97 1pus h ILE 123 N -0.68 1.27 -0.45 4.57 1.08 -1.40 -2.50 117.51 119.40 1pus h ILE 123 Ca -0.03 -1.28 0.13 0.00 -0.39 0.00 0.00 64.86 63.30 1pus h ILE 123 Cb 1.03 1.67 -0.02 0.00 -3.07 0.00 0.00 36.82 36.43 1pus h ILE 123 CO 0.04 0.37 0.37 0.00 -0.69 0.00 0.00 178.15 178.23 1pus h ALA 124 N 1.61 2.30 0.03 1.87 0.00 0.21 1.69 119.26 126.97 1pus h ALA 124 Ca -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1pus h ALA 124 Cb 0.66 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1pus h ALA 124 CO 0.05 -0.60 -0.23 0.87 0.00 0.00 0.00 179.25 179.35 1pus h LYS 125 N 0.00 0.11 0.01 0.00 6.56 -1.56 -3.30 116.57 118.38 1pus h LYS 125 Ca 0.21 -0.15 -0.20 0.00 -1.06 0.00 0.00 60.65 59.45 1pus h LYS 125 Cb 0.94 0.05 -0.02 0.00 -0.57 0.00 0.00 32.23 32.63 1pus h LYS 125 CO -0.00 1.00 -0.93 1.25 -2.06 0.00 0.00 179.45 178.71 1pus h LEU 126 N -0.71 0.04 -0.82 2.94 5.85 -1.32 -3.29 115.31 118.00 1pus h LEU 126 Ca -0.04 -0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.75 1pus h LEU 126 Cb 1.10 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.04 1pus h LEU 126 CO 0.04 0.94 0.46 0.50 -0.34 0.00 0.00 178.44 180.04 1pus h LYS 127 N 0.01 0.72 0.00 1.25 3.64 0.24 0.74 116.57 123.17 1pus h LYS 127 Ca -0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1pus h LYS 127 Cb 1.63 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.28 1pus h LYS 127 CO 0.12 0.48 0.00 -2.13 -2.27 0.00 0.00 179.45 175.65 1pus n ARG 128 N -4.78 0.28 -0.17 1.90 0.63 -1.24 -5.01 116.66 108.28 1pus n ARG 128 Ca 0.14 0.10 0.00 0.00 -0.92 0.00 0.00 57.85 57.17 1pus n ARG 128 Cb 0.30 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.71 1pus n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40