#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 4.42 -0.03 3.17 2.20 -1.11 -5.02 119.74 123.37 1pus s LYS 2 Ca 0.00 0.90 -0.01 0.00 -0.36 0.00 0.00 55.97 56.51 1pus s LYS 2 Cb 0.00 -3.37 0.03 0.00 -1.51 0.00 0.00 37.83 32.98 1pus s LYS 2 CO 0.00 0.27 0.04 -1.59 -0.36 0.00 0.00 175.35 173.71 1pus s LYS 3 N 0.07 -0.05 -0.00 4.03 -2.85 -1.26 -0.74 119.74 118.93 1pus s LYS 3 Ca 0.35 0.26 0.03 0.00 -1.00 0.00 0.00 55.97 55.61 1pus s LYS 3 Cb -0.19 -0.34 -0.01 0.00 -2.06 0.00 0.00 37.83 35.23 1pus s LYS 3 CO 0.20 -0.23 -0.09 -0.48 0.10 0.00 0.00 175.35 174.86 1pus s LEU 4 N 1.46 2.02 0.09 2.77 2.34 0.28 -4.89 118.68 122.75 1pus s LEU 4 Ca -0.04 -0.17 0.04 0.00 0.06 0.00 0.00 54.13 54.02 1pus s LEU 4 Cb -0.13 -0.43 -0.04 0.00 -0.56 0.00 0.00 46.19 45.03 1pus s LEU 4 CO -0.03 0.10 0.06 -1.10 -1.06 0.00 0.00 176.35 174.31 1pus s GLN 5 N -0.25 2.77 -0.01 1.48 -0.21 -1.26 -2.06 119.66 120.12 1pus s GLN 5 Ca 0.03 -0.76 -0.01 0.00 0.02 0.00 0.00 55.36 54.64 1pus s GLN 5 Cb -0.03 -2.66 0.01 0.00 1.00 0.00 0.00 33.01 31.32 1pus s GLN 5 CO -0.00 0.55 0.03 0.42 -2.12 0.00 0.00 175.29 174.17 1pus s ILE 6 N -1.40 -0.01 -0.01 1.08 -1.09 0.10 -3.64 121.20 116.24 1pus s ILE 6 Ca 0.28 0.02 0.06 0.00 -2.23 0.00 0.00 60.65 58.79 1pus s ILE 6 Cb -0.12 -0.05 -0.02 0.00 -1.58 0.00 0.00 42.46 40.69 1pus s ILE 6 CO 0.21 0.01 -0.20 0.00 -1.23 0.00 0.00 174.94 173.72 1pus s ALA 7 N 0.11 1.69 0.01 9.38 0.00 -1.23 -1.63 121.76 130.10 1pus s ALA 7 Ca -0.01 -0.89 -0.07 0.00 0.00 0.00 0.00 51.96 50.99 1pus s ALA 7 Cb -0.01 -0.42 -0.00 0.00 0.00 0.00 0.00 23.12 22.69 1pus s ALA 7 CO -0.00 0.41 0.13 0.54 0.00 0.00 0.00 175.76 176.84 1pus s VAL 8 N -0.52 0.10 -0.17 0.00 0.11 0.46 -3.79 120.40 116.59 1pus s VAL 8 Ca 0.08 -0.79 -0.10 0.00 -2.93 0.00 0.00 61.98 58.24 1pus s VAL 8 Cb -0.08 -0.55 0.06 0.00 -1.53 0.00 0.00 36.38 34.28 1pus s VAL 8 CO -0.00 -0.43 0.41 -0.83 -3.33 0.00 0.00 175.10 170.91 1pus s GLY 9 N -1.58 -0.33 -0.49 6.54 0.00 -1.25 0.94 107.32 111.15 1pus s GLY 9 Ca -0.12 1.51 -0.23 0.00 0.00 0.00 0.00 44.72 45.88 1pus s GLY 9 CO -0.00 1.64 0.82 -0.26 0.00 0.00 0.00 173.10 175.30 1pus s ILE 10 N 1.32 4.59 -0.01 0.90 -4.36 -1.11 -4.59 121.20 117.94 1pus s ILE 10 Ca -0.09 0.26 -0.30 0.00 -0.26 0.00 0.00 60.65 60.26 1pus s ILE 10 Cb -0.08 -4.39 -0.05 0.00 1.25 0.00 0.00 42.46 39.18 1pus s ILE 10 CO -0.12 -0.87 1.38 -0.63 0.24 0.00 0.00 174.94 174.94 1pus s ILE 11 N 3.43 3.78 -0.12 8.37 1.01 -1.26 -2.92 121.20 133.50 1pus s ILE 11 Ca 0.28 1.15 -0.23 0.00 0.00 0.00 0.00 60.65 61.86 1pus s ILE 11 Cb -0.13 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.57 1pus s ILE 11 CO 0.20 -0.01 0.70 -0.13 0.00 0.00 0.00 174.94 175.70 1pus s ARG 12 N 2.42 4.35 0.22 2.79 1.81 -1.24 -2.26 118.95 127.04 1pus s ARG 12 Ca 0.63 0.82 -0.03 0.00 -1.72 0.00 0.00 55.73 55.43 1pus s ARG 12 Cb -0.30 -3.50 0.05 0.00 -0.45 0.00 0.00 34.95 30.74 1pus s ARG 12 CO 0.26 -0.08 0.30 -1.71 -0.68 0.00 0.00 175.30 173.38 1pus n ASN 13 N 4.37 0.07 -0.10 0.23 5.15 0.58 -3.09 115.26 122.47 1pus n ASN 13 Ca -0.00 -1.14 0.10 0.00 -0.60 0.00 0.00 54.58 52.94 1pus n ASN 13 Cb 0.50 -0.22 0.57 0.00 -0.53 0.00 0.00 39.78 40.10 1pus n ASN 13 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1pus n GLU 14 N -1.62 1.13 -2.75 1.20 0.00 -1.26 -3.95 120.64 113.38 1pus n GLU 14 Ca 0.04 -0.20 -0.11 0.00 0.00 0.00 0.00 57.16 56.88 1pus n GLU 14 Cb 0.14 -1.34 0.02 0.00 0.00 0.00 0.00 31.44 30.26 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 -0.61 1.46 -1.99 4.31 5.15 -1.26 -4.94 115.26 117.38 1pus n ASN 15 Ca 0.16 -2.80 -0.06 0.00 -0.60 0.00 0.00 54.58 51.28 1pus n ASN 15 Cb 0.12 -0.54 -0.01 0.00 -0.53 0.00 0.00 39.78 38.82 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 -0.01 -2.00 -4.38 1.20 0.23 -1.25 -4.90 115.26 104.15 1pus n ASN 16 Ca 0.13 0.28 -0.30 0.00 -0.53 0.00 0.00 54.58 54.15 1pus n ASN 16 Cb 0.78 -1.90 -0.14 0.00 -2.08 0.00 0.00 39.78 36.44 1pus n ASN 16 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 1pus s GLU 17 N -4.07 1.92 -0.00 -3.83 -1.05 -1.26 -4.39 118.70 106.01 1pus s GLU 17 Ca 0.00 -1.05 0.05 0.00 -0.15 0.00 0.00 54.97 53.82 1pus s GLU 17 Cb 0.00 -2.05 -0.03 0.00 -0.44 0.00 0.00 34.13 31.61 1pus s GLU 17 CO 0.00 0.53 -0.14 0.42 0.95 0.00 0.00 175.26 177.02 1pus s ILE 18 N -0.82 3.08 -0.18 1.83 1.01 0.51 0.21 121.20 126.85 1pus s ILE 18 Ca 0.12 -0.91 -0.14 0.00 0.00 0.00 0.00 60.65 59.72 1pus s ILE 18 Cb -0.10 -2.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 1pus s ILE 18 CO 0.03 0.45 0.31 0.12 0.00 0.00 0.00 174.94 175.85 1pus s PHE 19 N -0.86 3.43 0.27 3.97 2.19 -0.96 -0.99 117.98 125.02 1pus s PHE 19 Ca 0.14 0.58 0.09 0.00 0.33 0.00 0.00 56.93 58.06 1pus s PHE 19 Cb -0.11 -2.39 -0.05 0.00 -1.31 0.00 0.00 43.02 39.16 1pus s PHE 19 CO 0.04 0.16 -0.13 0.42 1.83 0.00 0.00 175.22 177.54 1pus s ILE 20 N 0.74 1.98 -0.40 3.12 1.01 -1.20 -4.28 121.20 122.16 1pus s ILE 20 Ca 0.17 -2.24 -0.20 0.00 0.00 0.00 0.00 60.65 58.38 1pus s ILE 20 Cb -0.13 -2.32 0.01 0.00 0.01 0.00 0.00 42.46 40.03 1pus s ILE 20 CO 0.05 -0.40 0.62 0.42 0.00 0.00 0.00 174.94 175.63 1pus s THR 21 N -2.81 4.88 0.35 2.92 -4.23 0.18 -3.25 115.64 113.68 1pus s THR 21 Ca 0.28 0.25 0.07 0.00 -1.18 0.00 0.00 61.69 61.11 1pus s THR 21 Cb -0.00 -4.13 -0.01 0.00 1.34 0.00 0.00 72.50 69.70 1pus s THR 21 CO 0.12 -0.46 0.45 -0.60 -0.54 0.00 0.00 174.62 173.59 1pus s ARG 22 N 2.71 3.01 -0.55 3.99 3.52 -1.22 -0.60 118.95 129.81 1pus s ARG 22 Ca 0.22 -1.10 -0.05 0.00 -0.13 0.00 0.00 55.73 54.68 1pus s ARG 22 Cb -0.14 -2.75 -0.09 0.00 -1.56 0.00 0.00 34.95 30.40 1pus s ARG 22 CO 0.17 0.02 2.20 0.54 -0.81 0.00 0.00 175.30 177.42 1pus n ARG 23 N -1.62 1.72 0.00 5.12 5.12 -1.26 -4.64 116.66 121.09 1pus n ARG 23 Ca 0.01 -1.10 0.00 0.00 -1.93 0.00 0.00 57.85 54.83 1pus n ARG 23 Cb 0.59 -2.18 0.00 0.00 -1.16 0.00 0.00 32.46 29.71 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 3.58 0.00 -1.78 7.54 0.00 -1.26 -3.50 120.51 125.08 1pus n ALA 24 Ca 0.37 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.42 1pus n ALA 24 Cb 0.30 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.79 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 0.63 6.48 -3.92 0.00 0.00 -1.26 -4.94 120.51 117.50 1pus n ALA 25 Ca 0.00 -3.95 -0.13 0.00 0.00 0.00 0.00 53.44 49.36 1pus n ALA 25 Cb 0.00 -1.95 -0.03 0.00 0.00 0.00 0.00 19.45 17.46 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 -0.59 0.97 -0.62 0.00 5.68 -1.23 -5.18 116.55 115.59 1pus n ASP 26 Ca 0.56 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.83 1pus n ASP 26 Cb 0.33 0.51 0.00 0.00 -1.14 0.00 0.00 41.12 40.82 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 -2.08 0.00 -2.37 2.12 0.00 -1.26 -4.77 120.51 112.16 1pus n ALA 27 Ca -0.07 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.32 1pus n ALA 27 Cb 0.29 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.70 1pus n ALA 27 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1pus n HIS 28 N -0.26 -3.57 -3.50 0.00 8.25 -1.26 -4.52 115.22 110.36 1pus n HIS 28 Ca 0.00 2.07 -0.19 0.00 -0.26 0.00 0.00 57.72 59.34 1pus n HIS 28 Cb 0.00 -3.44 0.07 0.00 1.12 0.00 0.00 29.99 27.74 1pus n HIS 28 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1pus n MET 29 N 1.33 -5.12 0.00 -0.41 2.81 -1.26 -4.90 117.12 109.57 1pus n MET 29 Ca -0.33 0.76 0.13 0.00 -1.81 0.00 0.00 57.70 56.44 1pus n MET 29 Cb 0.51 -5.55 0.39 0.00 -0.71 0.00 0.00 33.22 27.87 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 -4.04 3.12 -0.39 3.04 0.00 -1.26 -3.92 120.51 117.06 1pus n ALA 30 Ca -0.25 -0.29 -0.15 0.00 0.00 0.00 0.00 53.44 52.76 1pus n ALA 30 Cb 0.66 -1.23 0.10 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.35 3.79 -0.89 0.00 5.03 -1.26 -4.15 115.26 116.43 1pus n ASN 31 Ca 0.08 -2.98 0.02 0.00 0.87 0.00 0.00 54.58 52.56 1pus n ASN 31 Cb 0.33 -0.74 0.21 0.00 -1.02 0.00 0.00 39.78 38.56 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 -0.42 1.98 -1.52 3.52 5.02 -0.65 -3.55 118.16 122.54 1pus n LYS 32 Ca 0.36 -3.05 -0.30 0.00 -2.02 0.00 0.00 58.31 53.30 1pus n LYS 32 Cb 1.14 -1.76 -0.13 0.00 -0.02 0.00 0.00 35.03 34.26 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 -1.03 0.61 0.00 -0.35 0.00 0.42 -4.55 117.00 112.10 1pus n LEU 33 Ca 0.26 -0.50 -0.27 0.00 0.00 0.00 0.00 56.01 55.51 1pus n LEU 33 Cb 0.91 -1.12 -0.02 0.00 0.00 0.00 0.00 43.42 43.18 1pus n LEU 33 CO 0.13 -1.48 -0.03 1.21 0.00 0.00 0.00 177.39 177.21 1pus n GLU 34 N 7.91 0.76 -4.50 1.96 2.13 0.23 -4.12 120.64 125.01 1pus n GLU 34 Ca 0.56 -3.33 -0.25 0.00 0.66 0.00 0.00 57.16 54.80 1pus n GLU 34 Cb 0.26 0.54 -0.10 0.00 0.27 0.00 0.00 31.44 32.41 1pus n GLU 34 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1pus s PHE 35 N -2.63 2.34 1.09 4.31 -0.12 -1.26 0.50 117.98 122.21 1pus s PHE 35 Ca 0.20 -0.40 -0.19 0.00 -0.05 0.00 0.00 56.93 56.49 1pus s PHE 35 Cb -0.02 -1.15 0.06 0.00 -0.63 0.00 0.00 43.02 41.28 1pus s PHE 35 CO 0.13 0.66 -0.19 -0.35 -0.05 0.00 0.00 175.22 175.42 1pus n PRO 36 N -0.69 -1.26 0.00 1.99 -0.04 -1.26 -4.77 135.00 128.96 1pus n PRO 36 Ca -0.05 -0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.06 1pus n PRO 36 Cb 0.61 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 2.21 0.82 2.69 0.55 0.00 -1.25 -3.84 105.19 106.37 1pus n GLY 37 Ca 0.01 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 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 0.34 0.00 -0.02 0.00 -1.25 -3.47 107.32 101.25 1pus s GLY 38 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.68 1pus s GLY 38 CO 0.00 1.37 0.00 1.17 0.00 0.00 0.00 173.10 175.64 1pus n LYS 39 N 5.23 0.00 -0.18 2.90 4.81 -1.26 -5.02 118.16 124.64 1pus n LYS 39 Ca -0.05 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.29 1pus n LYS 39 Cb 0.50 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.47 1pus n LYS 39 CO 0.00 0.00 0.00 0.97 1.17 0.00 0.00 177.40 179.54 1pus h ILE 40 N 0.00 0.00 0.00 3.15 2.10 -1.87 -3.21 117.51 117.69 1pus h ILE 40 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1pus h ILE 40 Cb 0.00 0.00 0.00 0.00 -1.09 0.00 0.00 36.82 35.73 1pus h ILE 40 CO 0.00 0.00 0.00 -1.84 -1.08 0.00 0.00 178.15 175.23 1pus n GLU 41 N -4.66 0.00 0.00 2.19 0.28 -1.24 -4.38 120.64 112.83 1pus n GLU 41 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 1pus n GLU 41 Cb 0.23 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.10 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 -0.41 0.00 -0.28 3.44 2.81 -1.21 -2.92 117.12 118.55 1pus n MET 42 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1pus n MET 42 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 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 0.71 0.00 3.03 0.00 -1.26 -5.10 105.19 102.56 1pus n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.80 -4.08 1.61 4.71 -1.15 -5.08 120.64 117.45 1pus n GLU 44 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 57.16 56.88 1pus n GLU 44 Cb 0.35 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.73 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 -0.17 4.49 0.61 2.62 2.01 -1.26 -4.80 115.64 119.14 1pus s THR 45 Ca 0.00 -1.05 0.26 0.00 0.31 0.00 0.00 61.69 61.21 1pus s THR 45 Cb 0.00 -3.28 0.36 0.00 0.01 0.00 0.00 72.50 69.60 1pus s THR 45 CO 0.00 -0.08 1.48 1.55 -0.69 0.00 0.00 174.62 176.87 1pus h PRO 46 N 2.50 0.00 0.00 4.92 0.13 -1.98 1.53 132.00 139.10 1pus h PRO 46 Ca -0.48 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.24 1pus h PRO 46 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 1pus h PRO 46 CO 0.63 0.00 -2.31 0.39 -0.23 0.00 0.00 178.00 176.48 1pus n GLU 47 N -3.32 0.58 0.00 0.86 4.71 -1.26 -4.45 120.64 117.77 1pus n GLU 47 Ca 0.17 0.31 0.15 0.00 -0.01 0.00 0.00 57.16 57.77 1pus n GLU 47 Cb 1.22 -1.53 0.77 0.00 -1.01 0.00 0.00 31.44 30.89 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 -4.29 0.52 0.29 3.49 1.13 -0.55 -3.21 117.38 114.75 1pus n GLN 48 Ca -0.50 -0.02 -0.15 0.00 -1.94 0.00 0.00 57.00 54.39 1pus n GLN 48 Cb 0.84 -1.50 -0.08 0.00 0.11 0.00 0.00 30.24 29.62 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 3.51 -0.75 0.12 -1.58 0.00 0.19 -2.37 119.26 118.39 1pus h ALA 49 Ca 0.00 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.50 1pus h ALA 49 Cb 0.26 0.29 0.02 0.00 0.00 0.00 0.00 17.79 18.36 1pus h ALA 49 CO 0.00 -0.78 -0.90 -0.24 0.00 0.00 0.00 179.25 177.33 1pus h VAL 50 N -1.02 1.43 -0.98 0.00 3.04 -1.79 -2.65 116.25 114.28 1pus h VAL 50 Ca -0.08 -2.43 0.23 0.00 -1.01 0.00 0.00 66.70 63.41 1pus h VAL 50 Cb 0.64 2.97 -0.08 0.00 -2.01 0.00 0.00 31.29 32.80 1pus h VAL 50 CO 0.13 0.71 0.63 0.58 -1.01 0.00 0.00 177.57 178.60 1pus h VAL 51 N -0.16 0.62 0.03 1.51 2.07 -1.66 1.61 116.25 120.27 1pus h VAL 51 Ca -0.15 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 1pus h VAL 51 Cb 1.66 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1pus h VAL 51 CO 0.17 0.09 -0.21 -0.09 0.02 0.00 0.00 177.57 177.55 1pus h ARG 52 N 0.47 0.09 0.00 1.57 2.43 -1.49 -3.27 114.38 114.18 1pus h ARG 52 Ca 0.54 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.58 1pus h ARG 52 Cb 1.26 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.86 1pus h ARG 52 CO -0.26 1.01 -0.00 1.49 -1.51 0.00 0.00 179.97 180.69 1pus h GLU 53 N -0.76 0.00 -0.58 0.20 4.57 -0.86 -2.91 114.58 114.24 1pus h GLU 53 Ca -0.03 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.19 1pus h GLU 53 Cb 1.10 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.64 1pus h GLU 53 CO 0.04 0.00 0.32 1.25 -1.18 0.00 0.00 179.01 179.44 1pus h LEU 54 N 0.00 0.49 -1.46 1.64 5.85 0.23 0.74 115.31 122.79 1pus h LEU 54 Ca -0.00 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1pus h LEU 54 Cb 0.35 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1pus h LEU 54 CO 0.00 0.33 -0.06 1.56 -0.34 0.00 0.00 178.44 179.93 1pus h GLN 55 N 0.62 0.27 0.00 1.25 7.50 -1.65 0.96 115.11 124.06 1pus h GLN 55 Ca 0.25 -0.05 -0.10 0.00 0.50 0.00 0.00 58.65 59.25 1pus h GLN 55 Cb 0.12 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.59 1pus h GLN 55 CO -0.15 0.35 -0.48 1.49 -1.50 0.00 0.00 178.83 178.55 1pus h GLU 56 N 0.27 0.00 -0.25 1.46 4.22 -0.99 0.56 114.58 119.84 1pus h GLU 56 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.50 1pus h GLU 56 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1pus h GLU 56 CO 0.01 0.48 0.00 0.39 -2.18 0.00 0.00 179.01 177.71 1pus n GLU 57 N -3.32 1.97 0.00 1.92 1.02 0.24 0.18 120.64 122.65 1pus n GLU 57 Ca 0.01 -1.81 0.00 0.00 -0.02 0.00 0.00 57.16 55.34 1pus n GLU 57 Cb 0.67 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.78 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 0.32 -4.34 118.33 118.04 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 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 2.01 0.46 2.97 2.92 0.00 0.20 0.10 105.19 113.84 1pus n GLY 59 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.77 -0.61 -5.35 -1.26 -4.83 119.36 103.54 1pus n ILE 60 Ca 0.00 -0.68 -0.34 0.00 -0.27 0.00 0.00 62.75 61.46 1pus n ILE 60 Cb 0.00 -1.52 -0.10 0.00 -1.74 0.00 0.00 39.64 36.28 1pus n ILE 60 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1pus s THR 61 N -3.12 3.50 0.09 7.28 -4.23 -1.26 -4.95 115.64 112.96 1pus s THR 61 Ca 0.58 -3.25 0.05 0.00 -1.18 0.00 0.00 61.69 57.90 1pus s THR 61 Cb -0.02 -3.29 -0.04 0.00 1.34 0.00 0.00 72.50 70.49 1pus s THR 61 CO 0.42 -0.90 -0.02 -2.16 -0.54 0.00 0.00 174.62 171.42 1pus s PRO 62 N -0.37 2.45 -1.25 3.99 0.04 -1.26 -3.33 135.00 135.27 1pus s PRO 62 Ca 0.19 -0.88 -0.20 0.00 0.04 0.00 0.00 61.00 60.15 1pus s PRO 62 Cb -0.19 -2.49 0.02 0.00 0.04 0.00 0.00 34.50 31.89 1pus s PRO 62 CO -0.04 0.53 1.78 1.14 0.04 0.00 0.00 177.00 180.45 1pus s GLN 63 N -2.30 3.53 -0.10 4.56 -2.07 0.58 -4.86 119.66 119.01 1pus s GLN 63 Ca 0.25 -1.70 0.03 0.00 -1.82 0.00 0.00 55.36 52.12 1pus s GLN 63 Cb -0.12 -5.44 0.01 0.00 -1.09 0.00 0.00 33.01 26.37 1pus s GLN 63 CO 0.17 -2.75 -0.20 -1.58 -1.32 0.00 0.00 175.29 169.61 1pus s HIS 64 N 6.24 2.26 -0.12 9.60 2.46 -1.25 -0.87 115.29 133.62 1pus s HIS 64 Ca 0.58 -0.99 -0.33 0.00 0.47 0.00 0.00 55.06 54.78 1pus s HIS 64 Cb 0.02 -1.56 0.15 0.00 -0.13 0.00 0.00 32.58 31.06 1pus s HIS 64 CO 0.08 -0.45 1.42 0.12 -2.47 0.00 0.00 174.74 173.45 1pus s PHE 65 N 0.63 -0.01 0.00 3.88 5.36 -1.24 -4.95 117.98 121.65 1pus s PHE 65 Ca -0.13 -0.01 0.00 0.00 -0.96 0.00 0.00 56.93 55.83 1pus s PHE 65 Cb -0.16 0.51 0.00 0.00 -0.34 0.00 0.00 43.02 43.02 1pus s PHE 65 CO 0.04 -0.04 0.00 0.45 -1.46 0.00 0.00 175.22 174.21 1pus n SER 66 N -0.43 -0.70 -3.71 6.13 2.88 -1.26 -3.74 113.62 112.80 1pus n SER 66 Ca -0.08 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.35 1pus n SER 66 Cb 0.63 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.98 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 0.00 0.05 0.04 2.46 2.34 -1.26 -1.11 118.68 121.19 1pus s LEU 67 Ca 0.00 0.89 -0.17 0.00 0.06 0.00 0.00 54.13 54.92 1pus s LEU 67 Cb 0.00 1.41 -0.25 0.00 -0.56 0.00 0.00 46.19 46.78 1pus s LEU 67 CO 0.00 -0.18 1.11 2.19 -1.06 0.00 0.00 176.35 178.41 1pus h PHE 68 N 6.56 0.86 -1.42 3.48 -5.15 -1.77 -3.41 116.94 116.08 1pus h PHE 68 Ca -0.33 -0.50 0.13 0.00 -0.20 0.00 0.00 57.97 57.07 1pus h PHE 68 Cb 1.18 -0.09 -0.29 0.00 0.22 0.00 0.00 35.95 36.98 1pus h PHE 68 CO 0.29 1.33 0.49 -1.21 -2.00 0.00 0.00 178.31 177.22 1pus s GLU 69 N -3.13 0.31 -0.04 6.09 2.02 -1.25 -5.05 118.70 117.65 1pus s GLU 69 Ca -0.11 0.50 0.02 0.00 0.02 0.00 0.00 54.97 55.40 1pus s GLU 69 Cb 0.05 0.08 0.01 0.00 0.10 0.00 0.00 34.13 34.37 1pus s GLU 69 CO 0.89 -0.06 -0.07 -1.59 0.02 0.00 0.00 175.26 174.44 1pus s LYS 70 N 1.09 1.01 0.21 1.61 0.00 -1.26 -4.02 119.74 118.39 1pus s LYS 70 Ca -0.07 -0.23 0.08 0.00 0.00 0.00 0.00 55.97 55.75 1pus s LYS 70 Cb -0.04 -0.94 -0.04 0.00 0.00 0.00 0.00 37.83 36.82 1pus s LYS 70 CO -0.13 0.02 -0.02 -0.48 0.00 0.00 0.00 175.35 174.74 1pus s LEU 71 N 0.56 3.20 -0.18 2.77 2.34 -1.10 -4.95 118.68 121.32 1pus s LEU 71 Ca -0.09 -0.52 -0.04 0.00 0.06 0.00 0.00 54.13 53.54 1pus s LEU 71 Cb -0.12 -1.82 0.06 0.00 -0.56 0.00 0.00 46.19 43.75 1pus s LEU 71 CO 0.01 0.06 0.06 -0.70 -1.06 0.00 0.00 176.35 174.72 1pus s GLU 72 N -3.18 0.37 0.11 1.48 2.12 -1.26 -2.52 118.70 115.82 1pus s GLU 72 Ca 0.28 -0.26 0.06 0.00 0.36 0.00 0.00 54.97 55.41 1pus s GLU 72 Cb -0.08 -1.98 -0.04 0.00 0.26 0.00 0.00 34.13 32.29 1pus s GLU 72 CO 0.18 -0.66 -0.15 1.52 -0.54 0.00 0.00 175.26 175.62 1pus s TYR 73 N 1.99 1.44 -0.18 5.30 1.13 -1.19 -5.00 117.35 120.84 1pus s TYR 73 Ca 0.00 -0.51 0.01 0.00 -1.41 0.00 0.00 57.07 55.16 1pus s TYR 73 Cb -0.17 -0.76 0.02 0.00 -1.10 0.00 0.00 41.96 39.95 1pus s TYR 73 CO -0.08 0.15 -0.18 -1.83 -2.51 0.00 0.00 175.55 171.09 1pus s GLU 74 N -2.39 2.79 0.78 -3.49 -1.05 -1.26 -2.18 118.70 111.90 1pus s GLU 74 Ca 0.07 -0.80 -0.11 0.00 -0.15 0.00 0.00 54.97 53.98 1pus s GLU 74 Cb -0.07 -2.48 0.06 0.00 -0.44 0.00 0.00 34.13 31.20 1pus s GLU 74 CO 0.03 -0.24 1.09 -0.06 0.95 0.00 0.00 175.26 177.03 1pus s PHE 75 N 1.33 2.83 -0.78 4.83 0.08 0.36 -4.83 117.98 121.81 1pus s PHE 75 Ca 0.04 1.27 -0.19 0.00 0.12 0.00 0.00 56.93 58.17 1pus s PHE 75 Cb -0.13 -3.05 -0.17 0.00 -0.57 0.00 0.00 43.02 39.09 1pus s PHE 75 CO -0.12 -1.69 1.91 -0.35 -0.10 0.00 0.00 175.22 174.87 1pus n PRO 76 N -3.41 0.14 -0.41 0.24 -0.04 -1.26 0.25 135.00 130.51 1pus n PRO 76 Ca 0.07 -1.04 0.00 0.00 -0.04 0.00 0.00 63.50 62.50 1pus n PRO 76 Cb 0.55 -3.00 0.00 0.00 -0.04 0.00 0.00 33.50 31.01 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 15.14 -1.22 -3.56 3.54 -0.08 -1.26 -5.03 116.55 124.08 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 0.45 -0.20 -0.13 0.00 2.34 0.00 0.00 41.12 43.57 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 -0.62 0.59 -0.62 -0.67 3.52 0.14 -2.76 118.95 118.53 1pus s ARG 78 Ca 0.00 -1.20 -0.27 0.00 -0.13 0.00 0.00 55.73 54.13 1pus s ARG 78 Cb 0.00 -1.52 0.02 0.00 -1.56 0.00 0.00 34.95 31.89 1pus s ARG 78 CO 0.00 -1.13 1.39 -1.01 -0.81 0.00 0.00 175.30 173.75 1pus s HIS 79 N 1.29 2.26 -0.34 5.12 3.76 0.08 0.14 115.29 127.59 1pus s HIS 79 Ca 0.15 0.34 -0.09 0.00 -0.15 0.00 0.00 55.06 55.30 1pus s HIS 79 Cb -0.21 -4.45 0.02 0.00 1.11 0.00 0.00 32.58 29.05 1pus s HIS 79 CO -0.12 -2.00 0.16 -1.50 -0.85 0.00 0.00 174.74 170.43 1pus s ILE 80 N 6.15 4.31 -0.29 0.60 2.07 -0.93 0.99 121.20 134.10 1pus s ILE 80 Ca 0.47 -0.82 -0.17 0.00 -1.41 0.00 0.00 60.65 58.72 1pus s ILE 80 Cb -0.10 -3.35 -0.02 0.00 0.13 0.00 0.00 42.46 39.12 1pus s ILE 80 CO 0.21 -0.12 0.45 0.42 -1.91 0.00 0.00 174.94 173.99 1pus s THR 81 N 1.52 5.11 -0.31 4.00 -4.23 -0.87 -3.16 115.64 117.69 1pus s THR 81 Ca 0.02 0.57 -0.08 0.00 -1.18 0.00 0.00 61.69 61.02 1pus s THR 81 Cb -0.19 -3.81 0.01 0.00 1.34 0.00 0.00 72.50 69.86 1pus s THR 81 CO 0.05 0.03 0.11 -0.76 -0.54 0.00 0.00 174.62 173.51 1pus s LEU 82 N 2.21 4.03 -0.22 4.79 1.43 -1.05 0.01 118.68 129.89 1pus s LEU 82 Ca 0.17 -0.75 -0.05 0.00 -1.03 0.00 0.00 54.13 52.47 1pus s LEU 82 Cb -0.16 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.13 1pus s LEU 82 CO 0.11 -0.22 0.01 0.26 0.23 0.00 0.00 176.35 176.73 1pus s TRP 83 N 1.52 3.03 -0.29 0.29 0.52 -0.65 -2.70 118.94 120.66 1pus s TRP 83 Ca 0.02 -0.55 -0.04 0.00 0.02 0.00 0.00 56.10 55.56 1pus s TRP 83 Cb -0.18 -2.13 0.03 0.00 -1.15 0.00 0.00 33.47 30.05 1pus s TRP 83 CO 0.04 -0.34 0.02 -0.06 0.02 0.00 0.00 176.95 176.63 1pus s PHE 84 N 1.26 3.19 0.12 -1.98 0.40 -1.24 0.17 117.98 119.90 1pus s PHE 84 Ca 0.04 -1.54 -0.07 0.00 -0.60 0.00 0.00 56.93 54.76 1pus s PHE 84 Cb -0.15 -2.15 -0.06 0.00 0.51 0.00 0.00 43.02 41.17 1pus s PHE 84 CO 0.01 -0.73 0.39 -1.58 0.70 0.00 0.00 175.22 174.02 1pus s TRP 85 N 1.35 3.51 -0.49 0.36 0.52 0.27 -3.14 118.94 121.31 1pus s TRP 85 Ca -0.02 0.66 -0.15 0.00 0.02 0.00 0.00 56.10 56.61 1pus s TRP 85 Cb -0.18 -2.08 0.10 0.00 -1.15 0.00 0.00 33.47 30.16 1pus s TRP 85 CO -0.01 0.45 0.42 -1.17 0.02 0.00 0.00 176.95 176.67 1pus s LEU 86 N -2.40 5.81 0.25 2.99 2.96 -0.27 -2.76 118.68 125.28 1pus s LEU 86 Ca 0.38 -1.54 -0.20 0.00 -0.22 0.00 0.00 54.13 52.55 1pus s LEU 86 Cb -0.13 -2.17 -0.09 0.00 0.50 0.00 0.00 46.19 44.30 1pus s LEU 86 CO 0.22 -0.72 0.76 -0.69 -1.32 0.00 0.00 176.35 174.60 1pus s VAL 87 N 1.60 4.53 -0.15 1.68 1.01 -1.15 -3.65 120.40 124.27 1pus s VAL 87 Ca 0.04 1.32 0.08 0.00 0.00 0.00 0.00 61.98 63.42 1pus s VAL 87 Cb -0.26 -3.84 -0.15 0.00 0.00 0.00 0.00 36.38 32.12 1pus s VAL 87 CO 0.05 0.13 -0.02 -0.62 0.00 0.00 0.00 175.10 174.64 1pus n GLU 88 N 0.52 1.29 -3.65 2.72 1.02 -0.57 -3.67 120.64 118.31 1pus n GLU 88 Ca -0.01 0.03 -0.08 0.00 -0.02 0.00 0.00 57.16 57.09 1pus n GLU 88 Cb 0.51 -1.35 -0.02 0.00 -0.02 0.00 0.00 31.44 30.56 1pus n GLU 88 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1pus s ARG 89 N -2.34 1.32 -0.18 3.49 1.04 -0.04 -4.48 118.95 117.76 1pus s ARG 89 Ca -0.13 -0.63 -0.09 0.00 -1.04 0.00 0.00 55.73 53.84 1pus s ARG 89 Cb 0.05 0.51 0.07 0.00 -2.04 0.00 0.00 34.95 33.53 1pus s ARG 89 CO 0.51 -0.59 0.41 1.67 -0.04 0.00 0.00 175.30 177.26 1pus s TRP 90 N -3.56 -0.64 0.42 5.89 -2.14 -1.18 -0.30 118.94 117.42 1pus s TRP 90 Ca 0.08 1.33 -0.23 0.00 2.66 0.00 0.00 56.10 59.94 1pus s TRP 90 Cb -0.03 0.27 -0.09 0.00 -3.10 0.00 0.00 33.47 30.52 1pus s TRP 90 CO -0.03 -0.37 1.01 -1.21 -2.66 0.00 0.00 176.95 173.69 1pus s GLU 91 N 1.70 4.14 7.65 3.25 2.02 -1.21 -4.78 118.70 131.46 1pus s GLU 91 Ca -0.08 1.36 0.00 0.00 0.02 0.00 0.00 54.97 56.27 1pus s GLU 91 Cb -0.09 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.76 1pus s GLU 91 CO -0.13 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.43 1pus n GLY 92 N -0.01 4.23 3.08 -1.39 0.00 -1.26 -4.59 105.19 105.25 1pus n GLY 92 Ca 0.06 0.14 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 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 0.64 0.01 1.61 2.02 -1.26 -5.13 118.70 116.58 1pus s GLU 93 Ca 0.00 -0.73 -0.30 0.00 0.02 0.00 0.00 54.97 53.96 1pus s GLU 93 Cb 0.00 -0.52 -0.04 0.00 0.10 0.00 0.00 34.13 33.67 1pus s GLU 93 CO 0.00 0.11 1.12 -2.14 0.02 0.00 0.00 175.26 174.37 1pus s PRO 94 N -1.36 4.45 0.23 0.39 0.02 -1.26 -4.64 135.00 132.83 1pus s PRO 94 Ca -0.05 1.62 0.00 0.00 0.02 0.00 0.00 61.00 62.58 1pus s PRO 94 Cb -0.09 -3.44 0.00 0.00 0.02 0.00 0.00 34.50 31.00 1pus s PRO 94 CO 0.01 -0.24 0.00 -2.67 -0.33 0.00 0.00 177.00 173.77 1pus n TRP 95 N 4.25 -1.85 0.00 6.54 4.27 -0.28 -4.93 117.44 125.43 1pus n TRP 95 Ca 0.08 0.33 0.00 0.00 -3.89 0.00 0.00 57.50 54.02 1pus n TRP 95 Cb 0.48 0.47 0.00 0.00 -1.36 0.00 0.00 31.31 30.90 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 1.87 0.50 0.00 -1.67 0.00 0.28 -3.57 105.19 102.59 1pus n GLY 96 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.56 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 0.17 1.61 4.81 0.48 -4.60 118.16 120.62 1pus n LYS 97 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.46 1pus n LYS 97 Cb 0.00 0.00 0.35 0.00 0.02 0.00 0.00 35.03 35.40 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 0.07 0.00 1.64 4.11 -1.71 -3.46 114.58 115.23 1pus h GLU 98 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1pus h GLU 98 Cb 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1pus h GLU 98 CO 0.00 0.39 0.00 0.41 0.07 0.00 0.00 179.01 179.88 1pus n GLY 99 N -0.52 0.62 2.48 1.06 0.00 -1.26 -5.01 105.19 102.56 1pus n GLY 99 Ca -0.02 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.28 0.48 0.20 1.61 -0.21 -1.26 -5.11 119.66 115.09 1pus s GLN 100 Ca 0.00 -1.16 -0.30 0.00 0.02 0.00 0.00 55.36 53.93 1pus s GLN 100 Cb 0.00 -1.25 -0.16 0.00 1.00 0.00 0.00 33.01 32.60 1pus s GLN 100 CO 0.00 -1.17 0.78 -2.30 -2.12 0.00 0.00 175.29 170.47 1pus n PRO 101 N 4.28 0.51 -4.40 2.91 -0.02 -1.26 -4.40 135.00 132.61 1pus n PRO 101 Ca 0.09 0.18 -0.22 0.00 -2.02 0.00 0.00 63.50 61.53 1pus n PRO 101 Cb 0.38 -1.38 -0.08 0.00 -0.02 0.00 0.00 33.50 32.40 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 -0.68 2.37 0.08 -1.23 0.00 -1.26 -3.41 107.32 103.19 1pus s GLY 102 Ca 0.66 -1.61 0.02 0.00 0.00 0.00 0.00 44.72 43.79 1pus s GLY 102 CO 0.57 -1.67 -0.06 -0.54 0.00 0.00 0.00 173.10 171.39 1pus s GLU 103 N -3.68 0.72 -0.46 2.90 0.41 -1.20 -4.94 118.70 112.44 1pus s GLU 103 Ca 0.32 -1.16 -0.28 0.00 -0.41 0.00 0.00 54.97 53.44 1pus s GLU 103 Cb 0.03 -0.18 -0.00 0.00 -1.78 0.00 0.00 34.13 32.21 1pus s GLU 103 CO 0.19 -0.01 1.57 -1.58 -0.49 0.00 0.00 175.26 174.93 1pus s TRP 104 N -3.02 2.12 0.32 1.61 0.51 -1.26 -3.25 118.94 115.97 1pus s TRP 104 Ca 0.05 0.62 0.10 0.00 -2.12 0.00 0.00 56.10 54.75 1pus s TRP 104 Cb 0.01 -4.26 -0.06 0.00 -0.81 0.00 0.00 33.47 28.35 1pus s TRP 104 CO -0.04 -2.26 -0.13 -1.64 -0.51 0.00 0.00 176.95 172.38 1pus s MET 105 N 5.57 1.79 -0.35 4.98 -1.94 -0.16 -4.90 119.30 124.29 1pus s MET 105 Ca 0.64 -1.86 -0.29 0.00 -1.71 0.00 0.00 55.69 52.47 1pus s MET 105 Cb -0.15 -1.75 0.02 0.00 2.01 0.00 0.00 34.83 34.96 1pus s MET 105 CO 0.29 0.21 1.14 0.45 -0.01 0.00 0.00 175.02 177.11 1pus s SER 106 N -3.58 6.81 0.46 3.03 0.15 -1.26 0.19 113.70 119.50 1pus s SER 106 Ca 0.32 0.98 0.30 0.00 0.70 0.00 0.00 55.95 58.24 1pus s SER 106 Cb -0.01 -2.54 1.11 0.00 -1.71 0.00 0.00 66.02 62.87 1pus s SER 106 CO 0.16 -1.00 1.86 0.25 1.20 0.00 0.00 173.24 175.71 1pus h LEU 107 N 10.51 0.00 -0.18 3.45 7.12 -1.81 -2.93 115.31 131.47 1pus h LEU 107 Ca -0.22 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.79 1pus h LEU 107 Cb 1.07 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.20 1pus h LEU 107 CO 1.05 0.00 0.00 0.55 -0.13 0.00 0.00 178.44 179.91 1pus n VAL 108 N -2.89 1.64 -2.60 1.05 3.14 -1.26 -2.42 118.33 114.99 1pus n VAL 108 Ca 0.02 0.46 -0.18 0.00 -2.96 0.00 0.00 64.34 61.68 1pus n VAL 108 Cb 0.33 -1.41 0.01 0.00 -1.06 0.00 0.00 33.84 31.72 1pus n VAL 108 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1pus n GLY 109 N -1.10 3.75 3.77 7.55 0.00 -1.11 -4.87 105.19 113.18 1pus n GLY 109 Ca 0.01 -2.02 -0.41 0.00 0.00 0.00 0.00 46.02 43.59 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 -3.31 4.35 -0.18 0.99 1.98 -1.02 -5.00 118.68 116.49 1pus s LEU 110 Ca 0.38 2.94 -0.00 0.00 -2.89 0.00 0.00 54.13 54.55 1pus s LEU 110 Cb 0.43 -3.66 0.01 0.00 0.66 0.00 0.00 46.19 43.63 1pus s LEU 110 CO -0.07 -0.80 -0.15 0.20 -1.89 0.00 0.00 176.35 173.64 1pus s ASN 111 N -0.07 3.58 0.27 3.68 0.01 -1.26 -4.92 114.94 116.23 1pus s ASN 111 Ca 0.54 -0.53 0.25 0.00 -0.71 0.00 0.00 52.86 52.41 1pus s ASN 111 Cb -0.45 -1.57 0.97 0.00 0.41 0.00 0.00 41.25 40.61 1pus s ASN 111 CO 0.57 0.02 1.74 0.00 -1.51 0.00 0.00 177.10 177.93 1pus h ALA 112 N 7.78 1.00 0.01 0.60 0.00 -1.95 -3.00 119.26 123.70 1pus h ALA 112 Ca -0.40 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1pus h ALA 112 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1pus h ALA 112 CO 0.61 0.00 -0.07 0.22 0.00 0.00 0.00 179.25 180.01 1pus h ASP 113 N 0.00 0.05 0.93 0.00 3.58 -1.93 -3.32 116.42 115.73 1pus h ASP 113 Ca 0.00 -0.91 -0.03 0.00 0.42 0.00 0.00 57.03 56.51 1pus h ASP 113 Cb 0.46 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.49 1pus h ASP 113 CO 0.00 0.96 -0.13 -2.24 -2.88 0.00 0.00 179.24 174.94 1pus h ASP 114 N -0.85 0.00 -1.38 2.28 2.03 -1.79 -3.45 116.42 113.26 1pus h ASP 114 Ca -0.01 0.00 -0.43 0.00 -0.73 0.00 0.00 57.03 55.86 1pus h ASP 114 Cb 0.97 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 39.49 1pus h ASP 114 CO 0.01 0.13 -0.25 0.72 -1.03 0.00 0.00 179.24 178.83 1pus s PHE 115 N -3.69 2.67 0.08 4.15 -0.71 -1.14 0.16 117.98 119.50 1pus s PHE 115 Ca 0.01 -0.44 -0.31 0.00 -1.04 0.00 0.00 56.93 55.15 1pus s PHE 115 Cb 0.10 -2.35 -0.08 0.00 -1.21 0.00 0.00 43.02 39.48 1pus s PHE 115 CO 0.60 -0.47 1.47 -1.25 -1.34 0.00 0.00 175.22 174.22 1pus s PRO 116 N -4.37 4.27 0.59 1.99 0.04 -1.25 -4.68 135.00 131.59 1pus s PRO 116 Ca 0.55 2.13 0.38 0.00 0.04 0.00 0.00 61.00 64.10 1pus s PRO 116 Cb -0.09 -3.40 1.83 0.00 0.04 0.00 0.00 34.50 32.88 1pus s PRO 116 CO 0.33 -0.56 2.14 -1.00 0.04 0.00 0.00 177.00 177.96 1pus h PRO 117 N 7.40 0.00 0.00 0.56 0.13 -1.89 -2.39 132.00 135.81 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 0.89 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.66 1pus n ALA 118 N -2.06 1.82 -1.53 -0.56 0.00 -1.26 -2.75 120.51 114.16 1pus n ALA 118 Ca -0.01 -0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.40 1pus n ALA 118 Cb 0.19 -1.28 0.20 0.00 0.00 0.00 0.00 19.45 18.56 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 1.98 0.09 0.00 5.03 -0.90 -4.73 115.26 115.26 1pus n ASN 119 Ca 0.05 -3.84 -0.07 0.00 0.87 0.00 0.00 54.58 51.59 1pus n ASN 119 Cb 0.19 -0.56 -0.00 0.00 -1.02 0.00 0.00 39.78 38.39 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 0.97 0.13 -0.77 3.52 5.08 -1.67 -3.22 114.58 118.62 1pus h GLU 120 Ca 0.07 -0.15 0.17 0.00 -1.00 0.00 0.00 59.36 58.46 1pus h GLU 120 Cb 1.21 0.04 -0.12 0.00 0.50 0.00 0.00 28.75 30.39 1pus h GLU 120 CO 0.12 0.91 0.19 -1.35 -1.00 0.00 0.00 179.01 177.89 1pus h PRO 121 N 0.07 0.26 0.02 2.33 0.11 -1.85 1.59 132.00 134.52 1pus h PRO 121 Ca -0.03 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 1pus h PRO 121 Cb 1.49 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.55 1pus h PRO 121 CO 0.13 0.17 -0.01 0.28 -0.21 0.00 0.00 178.00 178.36 1pus h VAL 122 N 0.27 1.46 -0.59 3.15 2.07 -1.92 -3.33 116.25 117.36 1pus h VAL 122 Ca 0.44 -1.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.05 1pus h VAL 122 Cb 0.79 2.66 -0.03 0.00 -1.52 0.00 0.00 31.29 33.19 1pus h VAL 122 CO -0.54 0.46 0.24 0.40 0.02 0.00 0.00 177.57 178.15 1pus h ILE 123 N -0.90 1.21 -0.53 4.57 1.08 -1.49 -2.09 117.51 119.37 1pus h ILE 123 Ca -0.00 -0.64 0.15 0.00 -0.39 0.00 0.00 64.86 63.98 1pus h ILE 123 Cb 0.77 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 34.99 1pus h ILE 123 CO 0.00 0.26 0.38 0.00 -0.69 0.00 0.00 178.15 178.10 1pus h ALA 124 N 1.43 2.48 0.04 1.87 0.00 0.22 1.68 119.26 126.98 1pus h ALA 124 Ca 0.20 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1pus h ALA 124 Cb 0.15 0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1pus h ALA 124 CO -0.02 -0.66 -0.22 -0.22 0.00 0.00 0.00 179.25 178.13 1pus h LYS 125 N 0.00 0.09 0.05 0.00 3.11 -1.48 -3.16 116.57 115.18 1pus h LYS 125 Ca 0.25 -0.14 -0.10 0.00 -2.81 0.00 0.00 60.65 57.84 1pus h LYS 125 Cb 1.02 0.05 0.01 0.00 -1.00 0.00 0.00 32.23 32.31 1pus h LYS 125 CO -0.00 1.06 -0.44 1.25 -2.81 0.00 0.00 179.45 178.51 1pus h LEU 126 N -0.81 0.30 -0.87 5.20 5.85 -1.23 -3.32 115.31 120.44 1pus h LEU 126 Ca -0.04 -0.88 0.15 0.00 0.84 0.00 0.00 57.88 57.95 1pus h LEU 126 Cb 1.17 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 42.00 1pus h LEU 126 CO 0.04 1.15 0.46 0.50 -0.34 0.00 0.00 178.44 180.25 1pus h LYS 127 N -0.51 0.62 0.00 1.25 3.64 0.23 1.06 116.57 122.86 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 1.26 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1pus h LYS 127 CO 0.08 0.41 0.00 -2.13 -2.27 0.00 0.00 179.45 175.54 1pus n ARG 128 N -4.86 0.06 -0.57 1.90 0.63 -1.19 -4.60 116.66 108.02 1pus n ARG 128 Ca 0.18 0.28 0.00 0.00 -0.92 0.00 0.00 57.85 57.39 1pus n ARG 128 Cb 0.46 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.87 1pus n ARG 128 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40