#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1puq s LYS 2 N 0.00 2.38 0.49 3.17 2.20 -1.26 -4.94 119.74 121.78 1puq s LYS 2 Ca 0.00 -1.61 -0.23 0.00 -0.36 0.00 0.00 55.97 53.77 1puq s LYS 2 Cb 0.00 -3.69 -0.06 0.00 -1.51 0.00 0.00 37.83 32.57 1puq s LYS 2 CO 0.00 -1.00 1.31 -1.59 -0.36 0.00 0.00 175.35 173.71 1puq s LYS 3 N 1.31 3.49 -0.10 4.03 -2.85 -1.26 -4.27 119.74 120.08 1puq s LYS 3 Ca 0.04 2.13 -0.05 0.00 -1.00 0.00 0.00 55.97 57.09 1puq s LYS 3 Cb -0.23 -2.42 0.05 0.00 -2.06 0.00 0.00 37.83 33.17 1puq s LYS 3 CO -0.01 -0.88 0.23 -0.48 0.10 0.00 0.00 175.35 174.32 1puq s LEU 4 N -3.14 0.30 0.02 2.77 0.05 0.10 -4.97 118.68 113.81 1puq s LEU 4 Ca 0.66 0.50 -0.01 0.00 0.05 0.00 0.00 54.13 55.34 1puq s LEU 4 Cb -0.37 0.66 -0.04 0.00 -2.05 0.00 0.00 46.19 44.39 1puq s LEU 4 CO 0.46 -0.18 0.13 -1.10 -0.55 0.00 0.00 176.35 175.11 1puq s GLN 5 N 1.50 3.21 -0.10 1.48 -0.21 -1.26 -0.49 119.66 123.78 1puq s GLN 5 Ca -0.07 -0.46 -0.06 0.00 0.02 0.00 0.00 55.36 54.79 1puq s GLN 5 Cb -0.11 -2.94 0.04 0.00 1.00 0.00 0.00 33.01 31.00 1puq s GLN 5 CO -0.08 0.64 0.25 -1.50 -2.12 0.00 0.00 175.29 172.48 1puq s ILE 6 N -1.31 -0.03 -0.12 1.08 1.10 0.13 -3.25 121.20 118.81 1puq s ILE 6 Ca 0.27 0.10 0.02 0.00 -0.51 0.00 0.00 60.65 60.53 1puq s ILE 6 Cb -0.12 -0.38 0.02 0.00 0.15 0.00 0.00 42.46 42.13 1puq s ILE 6 CO 0.19 0.04 -0.16 0.00 -2.11 0.00 0.00 174.94 172.90 1puq s ALA 7 N 0.94 1.77 0.31 1.50 0.00 -1.17 -0.14 121.76 124.97 1puq s ALA 7 Ca -0.07 -0.79 0.11 0.00 0.00 0.00 0.00 51.96 51.21 1puq s ALA 7 Cb -0.08 -0.88 -0.06 0.00 0.00 0.00 0.00 23.12 22.10 1puq s ALA 7 CO -0.06 -0.12 -0.13 0.14 0.00 0.00 0.00 175.76 175.59 1puq s VAL 8 N 1.05 2.43 -0.25 0.00 -7.23 0.30 -3.75 120.40 112.95 1puq s VAL 8 Ca -0.05 -2.27 -0.02 0.00 -1.81 0.00 0.00 61.98 57.84 1puq s VAL 8 Cb -0.15 -2.51 0.13 0.00 0.56 0.00 0.00 36.38 34.42 1puq s VAL 8 CO -0.03 -0.30 0.34 -0.83 -0.31 0.00 0.00 175.10 173.97 1puq s GLY 9 N -3.57 -0.31 -0.36 2.32 0.00 -1.16 0.10 107.32 104.33 1puq s GLY 9 Ca 0.31 0.43 -0.29 0.00 0.00 0.00 0.00 44.72 45.17 1puq s GLY 9 CO 0.16 2.64 1.65 -0.26 0.00 0.00 0.00 173.10 177.29 1puq s ILE 10 N 2.47 3.64 -0.05 0.90 -4.36 -1.00 -4.60 121.20 118.20 1puq s ILE 10 Ca 0.10 0.65 -0.30 0.00 -0.26 0.00 0.00 60.65 60.84 1puq s ILE 10 Cb -0.15 -3.86 -0.04 0.00 1.25 0.00 0.00 42.46 39.65 1puq s ILE 10 CO -0.21 -0.55 1.40 -0.63 0.24 0.00 0.00 174.94 175.19 1puq s ILE 11 N 6.32 3.85 -0.17 8.37 1.01 -1.26 -2.53 121.20 136.80 1puq s ILE 11 Ca 0.73 1.16 -0.23 0.00 0.00 0.00 0.00 60.65 62.30 1puq s ILE 11 Cb -0.19 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 1puq s ILE 11 CO 0.33 -0.04 0.73 -0.13 0.00 0.00 0.00 174.94 175.83 1puq s ARG 12 N 2.94 4.28 0.23 2.79 1.81 -1.24 -2.16 118.95 127.59 1puq s ARG 12 Ca 0.63 0.83 -0.04 0.00 -1.72 0.00 0.00 55.73 55.43 1puq s ARG 12 Cb -0.29 -3.56 0.05 0.00 -0.45 0.00 0.00 34.95 30.70 1puq s ARG 12 CO 0.24 -0.24 0.31 -1.71 -0.68 0.00 0.00 175.30 173.22 1puq n ASN 13 N 4.98 0.06 -0.22 0.23 4.05 0.57 -3.20 115.26 121.73 1puq n ASN 13 Ca 0.01 -1.13 0.03 0.00 0.45 0.00 0.00 54.58 53.94 1puq n ASN 13 Cb 0.49 -0.23 0.12 0.00 1.23 0.00 0.00 39.78 41.39 1puq n ASN 13 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 1puq n GLU 14 N -1.65 1.28 -2.77 1.20 2.13 -1.26 -4.02 120.64 115.55 1puq n GLU 14 Ca 0.04 -0.44 -0.11 0.00 0.66 0.00 0.00 57.16 57.31 1puq n GLU 14 Cb 0.14 -1.13 0.02 0.00 0.27 0.00 0.00 31.44 30.74 1puq n GLU 14 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1puq n ASN 15 N -0.17 1.08 -1.91 4.31 5.15 -1.26 -4.95 115.26 117.50 1puq n ASN 15 Ca 0.06 -2.77 -0.05 0.00 -0.60 0.00 0.00 54.58 51.21 1puq n ASN 15 Cb 0.11 -0.43 -0.01 0.00 -0.53 0.00 0.00 39.78 38.92 1puq n ASN 15 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1puq n ASN 16 N -0.01 -1.80 -4.52 1.20 0.23 -1.26 -4.89 115.26 104.21 1puq n ASN 16 Ca 0.12 0.27 -0.24 0.00 -0.53 0.00 0.00 54.58 54.20 1puq n ASN 16 Cb 0.79 -1.76 -0.09 0.00 -2.08 0.00 0.00 39.78 36.63 1puq n ASN 16 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 1puq s GLU 17 N -3.92 1.86 -0.02 -3.83 -1.05 -1.26 -4.61 118.70 105.88 1puq s GLU 17 Ca 0.00 -1.67 0.04 0.00 -0.15 0.00 0.00 54.97 53.18 1puq s GLU 17 Cb 0.00 -1.88 -0.00 0.00 -0.44 0.00 0.00 34.13 31.80 1puq s GLU 17 CO 0.00 0.33 -0.12 0.42 0.95 0.00 0.00 175.26 176.84 1puq s ILE 18 N -2.46 0.99 -0.40 1.83 1.01 0.42 0.21 121.20 122.80 1puq s ILE 18 Ca 0.31 -0.51 -0.29 0.00 0.00 0.00 0.00 60.65 60.16 1puq s ILE 18 Cb -0.05 -0.85 0.02 0.00 0.01 0.00 0.00 42.46 41.59 1puq s ILE 18 CO 0.16 0.29 1.17 0.12 0.00 0.00 0.00 174.94 176.68 1puq s PHE 19 N -0.10 2.86 -0.06 3.97 5.36 -0.92 -1.23 117.98 127.86 1puq s PHE 19 Ca 0.01 0.87 0.02 0.00 -0.96 0.00 0.00 56.93 56.87 1puq s PHE 19 Cb -0.07 -4.15 -0.03 0.00 -0.34 0.00 0.00 43.02 38.44 1puq s PHE 19 CO 0.00 -1.25 -0.11 0.96 -1.46 0.00 0.00 175.22 173.37 1puq s ILE 20 N 4.31 3.38 -0.31 3.12 -4.36 -1.22 -4.42 121.20 121.70 1puq s ILE 20 Ca 0.50 -0.60 -0.29 0.00 -0.26 0.00 0.00 60.65 60.00 1puq s ILE 20 Cb -0.10 -2.36 -0.01 0.00 1.25 0.00 0.00 42.46 41.24 1puq s ILE 20 CO 0.26 0.59 1.61 0.42 0.24 0.00 0.00 174.94 178.06 1puq s THR 21 N -0.73 3.70 -0.16 8.37 -4.23 0.29 -3.90 115.64 118.99 1puq s THR 21 Ca 0.11 0.74 0.00 0.00 -1.18 0.00 0.00 61.69 61.37 1puq s THR 21 Cb -0.11 -3.84 0.03 0.00 1.34 0.00 0.00 72.50 69.92 1puq s THR 21 CO 0.01 -0.47 -0.14 -0.60 -0.54 0.00 0.00 174.62 172.89 1puq s ARG 22 N 5.06 2.27 2.88 3.99 3.52 -1.26 -0.58 118.95 134.83 1puq s ARG 22 Ca 0.71 -0.61 0.00 0.00 -0.13 0.00 0.00 55.73 55.70 1puq s ARG 22 Cb -0.21 -2.16 0.00 0.00 -1.56 0.00 0.00 34.95 31.02 1puq s ARG 22 CO 0.31 -0.27 0.00 -2.13 -0.81 0.00 0.00 175.30 172.41 1puq n ARG 23 N 4.76 0.00 0.00 5.12 0.63 -1.14 -4.07 116.66 121.96 1puq n ARG 23 Ca -0.17 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.76 1puq n ARG 23 Cb 0.49 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.40 1puq n ARG 23 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1puq n ALA 24 N 8.58 0.00 -1.92 5.13 0.00 -1.26 -4.72 120.51 126.33 1puq n ALA 24 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1puq n ALA 24 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1puq n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1puq n ALA 25 N 0.00 -0.49 0.00 0.00 0.00 -1.26 -4.83 120.51 113.94 1puq n ALA 25 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1puq n ALA 25 Cb 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.00 1puq n ALA 25 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1puq n ASP 26 N -1.14 0.00 -0.55 0.00 5.68 -1.26 -5.16 116.55 114.11 1puq n ASP 26 Ca -0.14 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.15 1puq n ASP 26 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1puq n ASP 26 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1puq n ALA 27 N -0.17 0.00 -3.94 2.12 0.00 -1.26 -4.69 120.51 112.57 1puq n ALA 27 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1puq n ALA 27 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1puq n ALA 27 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1puq s HIS 28 N 0.00 3.11 -0.07 0.00 2.46 -1.26 -4.89 115.29 114.65 1puq s HIS 28 Ca 0.00 -1.93 0.02 0.00 0.47 0.00 0.00 55.06 53.63 1puq s HIS 28 Cb 0.00 -1.98 0.08 0.00 -0.13 0.00 0.00 32.58 30.55 1puq s HIS 28 CO 0.00 -0.82 0.67 -0.12 -2.47 0.00 0.00 174.74 172.00 1puq n MET 29 N 4.56 0.26 0.00 2.88 0.00 -1.26 -4.97 117.12 118.59 1puq n MET 29 Ca -0.16 -0.48 0.11 0.00 0.00 0.00 0.00 57.70 57.17 1puq n MET 29 Cb 0.45 0.36 0.50 0.00 0.00 0.00 0.00 33.22 34.53 1puq n MET 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1puq n ALA 30 N -0.30 2.05 1.71 -5.12 0.00 -1.26 -2.88 120.51 114.71 1puq n ALA 30 Ca -0.10 -0.08 0.15 0.00 0.00 0.00 0.00 53.44 53.40 1puq n ALA 30 Cb 0.54 -1.36 0.84 0.00 0.00 0.00 0.00 19.45 19.47 1puq n ALA 30 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1puq n ASN 31 N -1.45 0.00 -0.90 0.00 2.85 -1.24 -3.13 115.26 111.39 1puq n ASN 31 Ca 0.07 -0.69 0.02 0.00 -0.11 0.00 0.00 54.58 53.86 1puq n ASN 31 Cb 0.24 -0.08 0.21 0.00 1.24 0.00 0.00 39.78 41.38 1puq n ASN 31 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 1puq n LYS 32 N -1.08 2.00 -1.54 1.20 4.81 -1.14 -3.53 118.16 118.88 1puq n LYS 32 Ca 0.20 -3.05 -0.13 0.00 -0.87 0.00 0.00 58.31 54.46 1puq n LYS 32 Cb 0.14 -1.76 -0.09 0.00 0.02 0.00 0.00 35.03 33.33 1puq n LYS 32 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1puq n LEU 33 N -1.02 1.32 0.00 3.14 7.94 -1.18 -4.72 117.00 122.48 1puq n LEU 33 Ca 0.27 -1.76 -0.17 0.00 -1.11 0.00 0.00 56.01 53.23 1puq n LEU 33 Cb 0.92 -1.59 -0.04 0.00 0.53 0.00 0.00 43.42 43.24 1puq n LEU 33 CO 0.13 -2.89 -0.12 1.21 -1.11 0.00 0.00 177.39 174.62 1puq n GLU 34 N 8.24 0.90 -4.48 1.96 2.13 0.26 -4.03 120.64 125.61 1puq n GLU 34 Ca 0.45 -2.20 -0.25 0.00 0.66 0.00 0.00 57.16 55.82 1puq n GLU 34 Cb 0.43 0.98 -0.10 0.00 0.27 0.00 0.00 31.44 33.02 1puq n GLU 34 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1puq s PHE 35 N -2.37 2.35 1.07 4.31 -0.12 -1.26 0.11 117.98 122.06 1puq s PHE 35 Ca 0.08 -0.38 -0.17 0.00 -0.05 0.00 0.00 56.93 56.42 1puq s PHE 35 Cb 0.00 -1.13 0.10 0.00 -0.63 0.00 0.00 43.02 41.36 1puq s PHE 35 CO 0.06 0.67 0.19 -0.35 -0.05 0.00 0.00 175.22 175.74 1puq n PRO 36 N -0.69 -1.26 0.00 1.99 -0.04 -1.26 -4.73 135.00 129.01 1puq n PRO 36 Ca -0.05 -0.34 0.00 0.00 -0.04 0.00 0.00 63.50 63.07 1puq n PRO 36 Cb 0.61 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 1puq n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1puq n GLY 37 N 1.80 0.84 2.89 0.55 0.00 -1.25 -2.99 105.19 107.02 1puq n GLY 37 Ca 0.03 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 45.06 1puq n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1puq s GLY 38 N -1.80 0.68 0.00 -0.02 0.00 -1.25 -3.02 107.32 101.91 1puq s GLY 38 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.37 1puq s GLY 38 CO 0.00 0.73 0.00 1.17 0.00 0.00 0.00 173.10 175.00 1puq n LYS 39 N 4.69 0.00 -0.22 2.90 4.81 -1.26 -4.97 118.16 124.10 1puq n LYS 39 Ca -0.15 0.00 0.31 0.00 -0.87 0.00 0.00 58.31 57.61 1puq n LYS 39 Cb 0.50 0.00 0.72 0.00 0.02 0.00 0.00 35.03 36.28 1puq n LYS 39 CO 0.00 0.00 0.00 -0.84 1.17 0.00 0.00 177.40 177.73 1puq h ILE 40 N 0.00 0.40 -0.02 3.15 3.07 -1.85 -2.43 117.51 119.83 1puq h ILE 40 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 1puq h ILE 40 Cb 0.00 0.44 -0.00 0.00 -0.27 0.00 0.00 36.82 36.99 1puq h ILE 40 CO 0.00 0.00 -0.02 1.05 -1.05 0.00 0.00 178.15 178.13 1puq h GLU 41 N 0.00 -0.00 0.00 0.16 4.11 -1.90 -3.34 114.58 113.60 1puq h GLU 41 Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.90 1puq h GLU 41 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 1puq h GLU 41 CO -0.00 -0.00 0.00 -1.33 0.07 0.00 0.00 179.01 177.74 1puq n MET 42 N -2.97 0.00 -0.72 1.06 2.81 -0.92 -2.68 117.12 113.70 1puq n MET 42 Ca 0.00 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.85 1puq n MET 42 Cb 0.01 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.48 1puq n MET 42 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1puq n GLY 43 N 0.00 0.26 2.93 3.03 0.00 -1.26 -5.15 105.19 105.01 1puq n GLY 43 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1puq n GLY 43 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1puq n GLU 44 N 0.00 0.18 -4.23 1.61 1.02 -1.09 -5.09 120.64 113.04 1puq n GLU 44 Ca -0.14 -2.11 -0.24 0.00 -0.02 0.00 0.00 57.16 54.65 1puq n GLU 44 Cb 0.50 -0.44 -0.07 0.00 -0.02 0.00 0.00 31.44 31.41 1puq n GLU 44 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1puq s THR 45 N -2.17 3.74 0.61 2.62 2.01 -1.26 -4.80 115.64 116.39 1puq s THR 45 Ca 0.49 -1.66 0.25 0.00 0.31 0.00 0.00 61.69 61.08 1puq s THR 45 Cb -0.03 -2.97 0.35 0.00 0.01 0.00 0.00 72.50 69.86 1puq s THR 45 CO 0.32 -0.29 1.46 1.55 -0.69 0.00 0.00 174.62 176.98 1puq h PRO 46 N 2.04 0.00 0.00 4.92 0.13 -1.98 1.47 132.00 138.58 1puq h PRO 46 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1puq h PRO 46 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1puq h PRO 46 CO 0.60 0.00 -0.43 1.49 -0.23 0.00 0.00 178.00 179.43 1puq h GLU 47 N 0.00 0.00 -0.00 0.86 4.57 -2.03 -3.40 114.58 114.59 1puq h GLU 47 Ca 0.36 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.54 1puq h GLU 47 Cb 2.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.88 1puq h GLU 47 CO -0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 179.01 177.81 1puq n GLN 48 N -4.58 0.33 0.24 1.92 10.64 -0.73 -3.40 117.38 121.79 1puq n GLN 48 Ca -0.06 -0.01 -0.15 0.00 -1.83 0.00 0.00 57.00 54.94 1puq n GLN 48 Cb 0.22 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 28.02 1puq n GLN 48 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1puq h ALA 49 N 3.32 -0.56 0.05 2.61 0.00 0.18 0.33 119.26 125.20 1puq h ALA 49 Ca 0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1puq h ALA 49 Cb 0.35 0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1puq h ALA 49 CO 0.00 -0.77 -0.45 -0.39 0.00 0.00 0.00 179.25 177.64 1puq h VAL 50 N -0.65 1.58 -0.87 0.00 -1.51 -1.78 -2.17 116.25 110.85 1puq h VAL 50 Ca -0.06 -2.28 0.11 0.00 -1.23 0.00 0.00 66.70 63.24 1puq h VAL 50 Cb 0.48 3.05 -0.06 0.00 -2.13 0.00 0.00 31.29 32.62 1puq h VAL 50 CO 0.09 0.63 0.56 0.58 -1.23 0.00 0.00 177.57 178.21 1puq h VAL 51 N -0.51 0.93 0.02 7.19 2.07 -1.63 1.15 116.25 125.47 1puq h VAL 51 Ca -0.07 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1puq h VAL 51 Cb 1.28 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1puq h VAL 51 CO 0.09 0.15 -0.01 -0.09 0.02 0.00 0.00 177.57 177.73 1puq h ARG 52 N 0.81 -0.02 0.00 1.57 9.65 -1.01 -3.30 114.38 122.08 1puq h ARG 52 Ca 0.41 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.28 1puq h ARG 52 Cb 0.49 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.07 1puq h ARG 52 CO -0.18 0.71 -0.09 1.49 2.80 0.00 0.00 179.97 184.71 1puq h GLU 53 N -0.94 0.00 -0.68 0.20 4.57 -1.11 -2.80 114.58 113.81 1puq h GLU 53 Ca -0.00 0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.28 1puq h GLU 53 Cb 0.75 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.26 1puq h GLU 53 CO 0.00 0.09 0.30 -0.07 -1.18 0.00 0.00 179.01 178.15 1puq h LEU 54 N 0.00 0.35 -1.45 1.64 4.07 0.13 1.02 115.31 121.07 1puq h LEU 54 Ca -0.00 0.08 -0.02 0.00 0.08 0.00 0.00 57.88 58.01 1puq h LEU 54 Cb 0.31 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 1puq h LEU 54 CO 0.01 0.19 0.12 1.56 -1.08 0.00 0.00 178.44 179.25 1puq h GLN 55 N 0.51 0.49 0.00 1.13 7.50 -1.63 1.41 115.11 124.52 1puq h GLN 55 Ca 0.35 -0.06 -0.11 0.00 0.50 0.00 0.00 58.65 59.32 1puq h GLN 55 Cb 0.42 -0.09 -0.02 0.00 0.05 0.00 0.00 27.48 27.84 1puq h GLN 55 CO -0.31 0.43 -0.54 1.49 -1.50 0.00 0.00 178.83 178.40 1puq h GLU 56 N 0.49 0.00 -0.20 1.46 4.22 -0.42 0.31 114.58 120.45 1puq h GLU 56 Ca 0.12 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.56 1puq h GLU 56 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1puq h GLU 56 CO -0.01 0.54 0.00 0.39 -2.18 0.00 0.00 179.01 177.75 1puq n GLU 57 N -3.34 1.75 0.00 1.92 -0.58 0.31 0.17 120.64 120.88 1puq n GLU 57 Ca 0.01 -1.70 0.00 0.00 -0.42 0.00 0.00 57.16 55.05 1puq n GLU 57 Cb 0.70 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 1puq n GLU 57 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1puq n VAL 58 N 0.78 0.00 0.00 2.62 0.31 0.47 -4.28 118.33 118.23 1puq n VAL 58 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1puq n VAL 58 Cb 0.40 -0.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 1puq n VAL 58 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1puq n GLY 59 N 1.96 0.50 2.50 2.92 0.00 0.11 1.00 105.19 114.18 1puq n GLY 59 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1puq n GLY 59 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1puq n ILE 60 N 0.00 0.00 -3.75 -0.61 -5.35 -1.26 -4.84 119.36 103.55 1puq n ILE 60 Ca 0.00 -0.58 -0.35 0.00 -0.27 0.00 0.00 62.75 61.55 1puq n ILE 60 Cb 0.00 -1.56 -0.10 0.00 -1.74 0.00 0.00 39.64 36.24 1puq n ILE 60 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1puq s THR 61 N -2.79 3.57 0.09 7.28 -4.23 -1.26 -4.94 115.64 113.36 1puq s THR 61 Ca 0.49 -3.18 0.05 0.00 -1.18 0.00 0.00 61.69 57.87 1puq s THR 61 Cb -0.02 -3.33 -0.04 0.00 1.34 0.00 0.00 72.50 70.45 1puq s THR 61 CO 0.35 -0.89 -0.03 -2.16 -0.54 0.00 0.00 174.62 171.34 1puq s PRO 62 N -0.31 2.42 -1.24 3.99 0.04 -1.26 -3.33 135.00 135.30 1puq s PRO 62 Ca 0.18 -0.89 -0.20 0.00 0.04 0.00 0.00 61.00 60.13 1puq s PRO 62 Cb -0.19 -2.47 -0.01 0.00 0.04 0.00 0.00 34.50 31.87 1puq s PRO 62 CO -0.04 0.53 1.84 1.04 0.04 0.00 0.00 177.00 180.42 1puq n GLN 63 N 0.65 2.38 -4.89 4.56 6.02 0.33 -4.85 117.38 121.58 1puq n GLN 63 Ca -0.12 -2.85 -0.29 0.00 -0.01 0.00 0.00 57.00 53.73 1puq n GLN 63 Cb 0.52 -3.61 -0.17 0.00 1.02 0.00 0.00 30.24 28.00 1puq n GLN 63 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1puq s HIS 64 N 7.66 2.12 0.00 1.08 2.46 -1.25 -0.09 115.29 127.28 1puq s HIS 64 Ca 0.61 -0.87 0.00 0.00 0.47 0.00 0.00 55.06 55.27 1puq s HIS 64 Cb 0.02 -1.46 0.00 0.00 -0.13 0.00 0.00 32.58 31.01 1puq s HIS 64 CO 0.11 -0.39 0.00 0.34 -2.47 0.00 0.00 174.74 172.33 1puq n PHE 65 N 3.72 0.00 -0.99 3.88 -0.00 -1.18 -4.95 117.46 117.94 1puq n PHE 65 Ca -0.20 0.00 -0.36 0.00 -0.00 0.00 0.00 57.45 56.89 1puq n PHE 65 Cb 0.52 0.00 0.04 0.00 -0.00 0.00 0.00 39.48 40.05 1puq n PHE 65 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1puq n SER 66 N -0.63 -5.57 -4.22 -2.13 7.64 0.16 -4.58 113.62 104.28 1puq n SER 66 Ca 0.00 0.17 -0.34 0.00 1.01 0.00 0.00 58.87 59.71 1puq n SER 66 Cb 0.00 -0.76 -0.15 0.00 -1.01 0.00 0.00 64.21 62.29 1puq n SER 66 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1puq s LEU 67 N 7.45 2.62 -0.15 -3.43 0.20 -1.25 0.16 118.68 124.28 1puq s LEU 67 Ca 0.41 -0.57 -0.13 0.00 0.69 0.00 0.00 54.13 54.53 1puq s LEU 67 Cb -0.16 -1.62 -0.09 0.00 -0.43 0.00 0.00 46.19 43.89 1puq s LEU 67 CO 0.81 -0.03 0.06 0.15 -0.29 0.00 0.00 176.35 177.05 1puq h PHE 68 N 8.03 0.00 -1.40 5.38 3.04 -1.71 -3.40 116.94 126.88 1puq h PHE 68 Ca -0.42 0.00 0.12 0.00 3.98 0.00 0.00 57.97 61.65 1puq h PHE 68 Cb 1.14 0.00 -0.27 0.00 2.56 0.00 0.00 35.95 39.38 1puq h PHE 68 CO 0.54 0.49 0.64 -2.00 -2.02 0.00 0.00 178.31 175.96 1puq s GLU 69 N -2.13 0.37 -0.16 1.11 -6.30 0.19 -4.96 118.70 106.83 1puq s GLU 69 Ca -0.16 0.28 -0.04 0.00 -2.50 0.00 0.00 54.97 52.55 1puq s GLU 69 Cb 0.02 0.18 0.07 0.00 0.00 0.00 0.00 34.13 34.39 1puq s GLU 69 CO 0.32 -0.08 0.14 -1.59 0.02 0.00 0.00 175.26 174.07 1puq s LYS 70 N -0.35 0.09 0.21 4.30 0.00 -1.26 0.14 119.74 122.87 1puq s LYS 70 Ca 0.04 0.15 0.09 0.00 0.00 0.00 0.00 55.97 56.24 1puq s LYS 70 Cb -0.03 -1.27 -0.05 0.00 0.00 0.00 0.00 37.83 36.48 1puq s LYS 70 CO -0.06 -0.58 -0.16 -0.48 0.00 0.00 0.00 175.35 174.07 1puq s LEU 71 N 2.23 2.55 -0.19 2.77 0.05 -0.73 -4.95 118.68 120.41 1puq s LEU 71 Ca 0.04 -1.00 -0.03 0.00 0.05 0.00 0.00 54.13 53.19 1puq s LEU 71 Cb -0.15 -0.77 0.06 0.00 -2.05 0.00 0.00 46.19 43.28 1puq s LEU 71 CO -0.09 -0.11 0.04 -0.70 -0.55 0.00 0.00 176.35 174.94 1puq s GLU 72 N -3.51 0.57 0.11 1.48 2.12 -1.26 -2.12 118.70 116.08 1puq s GLU 72 Ca 0.23 -0.38 0.08 0.00 0.36 0.00 0.00 54.97 55.26 1puq s GLU 72 Cb -0.02 -2.07 -0.04 0.00 0.26 0.00 0.00 34.13 32.26 1puq s GLU 72 CO 0.08 -0.65 -0.20 1.52 -0.54 0.00 0.00 175.26 175.48 1puq s TYR 73 N 1.90 1.74 -0.09 5.30 -0.85 -1.09 -5.02 117.35 119.24 1puq s TYR 73 Ca -0.00 -0.43 0.04 0.00 -0.52 0.00 0.00 57.07 56.15 1puq s TYR 73 Cb -0.17 -0.94 -0.00 0.00 0.38 0.00 0.00 41.96 41.23 1puq s TYR 73 CO -0.08 0.22 -0.23 -1.83 -1.52 0.00 0.00 175.55 172.11 1puq s GLU 74 N -2.09 2.76 0.68 -3.49 -1.05 -1.26 -2.02 118.70 112.23 1puq s GLU 74 Ca 0.08 -0.83 -0.11 0.00 -0.15 0.00 0.00 54.97 53.96 1puq s GLU 74 Cb -0.09 -2.15 -0.00 0.00 -0.44 0.00 0.00 34.13 31.44 1puq s GLU 74 CO 0.04 0.21 1.07 -0.06 0.95 0.00 0.00 175.26 177.48 1puq s PHE 75 N 0.26 3.43 -0.77 4.83 0.40 0.40 -4.85 117.98 121.67 1puq s PHE 75 Ca -0.15 1.14 -0.19 0.00 -0.60 0.00 0.00 56.93 57.13 1puq s PHE 75 Cb -0.17 -2.94 -0.17 0.00 0.51 0.00 0.00 43.02 40.25 1puq s PHE 75 CO 0.07 -1.01 1.90 -0.35 0.70 0.00 0.00 175.22 176.53 1puq n PRO 76 N -2.92 0.14 0.00 0.24 -0.04 -1.26 0.98 135.00 132.14 1puq n PRO 76 Ca 0.07 -1.02 0.00 0.00 -0.04 0.00 0.00 63.50 62.51 1puq n PRO 76 Cb 0.56 -2.97 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 1puq n PRO 76 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1puq n ASP 77 N 14.99 0.00 -4.04 3.54 5.75 -1.26 -5.04 116.55 130.49 1puq n ASP 77 Ca 0.34 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 55.01 1puq n ASP 77 Cb 0.44 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.42 1puq n ASP 77 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1puq s ARG 78 N -0.83 0.46 -0.22 0.11 3.52 0.28 -1.05 118.95 121.22 1puq s ARG 78 Ca 0.00 -0.72 0.00 0.00 -0.13 0.00 0.00 55.73 54.88 1puq s ARG 78 Cb 0.00 -0.16 0.06 0.00 -1.56 0.00 0.00 34.95 33.29 1puq s ARG 78 CO 0.00 0.02 -0.05 -1.01 -0.81 0.00 0.00 175.30 173.45 1puq s HIS 79 N -1.44 2.15 -0.17 5.12 3.76 -1.26 0.15 115.29 123.60 1puq s HIS 79 Ca -0.12 -1.56 0.01 0.00 -0.15 0.00 0.00 55.06 53.24 1puq s HIS 79 Cb -0.10 -1.49 0.02 0.00 1.11 0.00 0.00 32.58 32.13 1puq s HIS 79 CO -0.00 -0.74 -0.20 -1.50 -0.85 0.00 0.00 174.74 171.45 1puq s ILE 80 N 1.48 2.03 -0.28 0.60 2.07 -0.85 0.00 121.20 126.24 1puq s ILE 80 Ca -0.04 -0.93 -0.10 0.00 -1.41 0.00 0.00 60.65 58.18 1puq s ILE 80 Cb -0.18 -1.83 -0.03 0.00 0.13 0.00 0.00 42.46 40.55 1puq s ILE 80 CO -0.07 0.54 0.15 -0.89 -1.91 0.00 0.00 174.94 172.75 1puq s THR 81 N 1.24 4.82 -0.23 4.00 2.01 0.36 -2.69 115.64 125.14 1puq s THR 81 Ca 0.03 -0.11 0.02 0.00 0.31 0.00 0.00 61.69 61.95 1puq s THR 81 Cb -0.13 -3.33 0.04 0.00 0.01 0.00 0.00 72.50 69.09 1puq s THR 81 CO -0.11 0.22 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.13 1puq s LEU 82 N 1.68 2.94 -0.21 4.42 1.02 -0.90 0.22 118.68 127.84 1puq s LEU 82 Ca 0.06 -1.09 -0.04 0.00 0.02 0.00 0.00 54.13 53.08 1puq s LEU 82 Cb -0.16 -1.53 -0.02 0.00 0.02 0.00 0.00 46.19 44.50 1puq s LEU 82 CO 0.07 -0.12 -0.02 0.26 0.02 0.00 0.00 176.35 176.57 1puq s TRP 83 N 1.18 2.99 -0.34 0.29 0.52 0.80 -1.77 118.94 122.62 1puq s TRP 83 Ca -0.03 -0.67 -0.06 0.00 0.02 0.00 0.00 56.10 55.36 1puq s TRP 83 Cb -0.17 -2.09 0.04 0.00 -1.15 0.00 0.00 33.47 30.10 1puq s TRP 83 CO -0.08 -0.38 0.10 -0.06 0.02 0.00 0.00 176.95 176.55 1puq s PHE 84 N 1.22 3.26 0.08 -1.98 0.40 0.38 0.11 117.98 121.45 1puq s PHE 84 Ca 0.03 -1.47 -0.03 0.00 -0.60 0.00 0.00 56.93 54.86 1puq s PHE 84 Cb -0.14 -2.28 -0.05 0.00 0.51 0.00 0.00 43.02 41.05 1puq s PHE 84 CO 0.00 -0.74 0.28 -1.58 0.70 0.00 0.00 175.22 173.88 1puq s TRP 85 N 1.39 3.51 -0.10 0.36 0.52 0.28 0.56 118.94 125.47 1puq s TRP 85 Ca -0.02 0.41 -0.10 0.00 0.02 0.00 0.00 56.10 56.42 1puq s TRP 85 Cb -0.20 -1.89 -0.05 0.00 -1.15 0.00 0.00 33.47 30.19 1puq s TRP 85 CO 0.02 0.54 0.23 -1.17 0.02 0.00 0.00 176.95 176.59 1puq s LEU 86 N -2.42 4.39 0.05 2.99 0.20 0.42 -2.38 118.68 121.94 1puq s LEU 86 Ca 0.36 0.59 0.07 0.00 0.69 0.00 0.00 54.13 55.84 1puq s LEU 86 Cb -0.13 -2.24 -0.03 0.00 -0.43 0.00 0.00 46.19 43.36 1puq s LEU 86 CO 0.24 0.35 -0.15 -0.69 -0.29 0.00 0.00 176.35 175.81 1puq s VAL 87 N -0.82 3.03 -0.07 1.68 1.01 -1.05 0.36 120.40 124.53 1puq s VAL 87 Ca 0.17 -1.17 0.11 0.00 0.00 0.00 0.00 61.98 61.09 1puq s VAL 87 Cb -0.13 -2.32 -0.17 0.00 0.00 0.00 0.00 36.38 33.76 1puq s VAL 87 CO 0.06 0.28 0.14 -0.62 0.00 0.00 0.00 175.10 174.96 1puq n GLU 88 N 1.32 1.35 -3.65 2.72 1.02 -0.60 -3.61 120.64 119.20 1puq n GLU 88 Ca -0.15 -0.05 -0.08 0.00 -0.02 0.00 0.00 57.16 56.86 1puq n GLU 88 Cb 0.52 -1.30 -0.02 0.00 -0.02 0.00 0.00 31.44 30.62 1puq n GLU 88 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1puq s ARG 89 N -2.54 1.29 -0.25 3.49 3.52 0.87 -4.62 118.95 120.72 1puq s ARG 89 Ca -0.05 -0.62 -0.10 0.00 -0.13 0.00 0.00 55.73 54.82 1puq s ARG 89 Cb 0.05 0.50 0.10 0.00 -1.56 0.00 0.00 34.95 34.04 1puq s ARG 89 CO 0.50 -0.58 0.56 1.67 -0.81 0.00 0.00 175.30 176.64 1puq s TRP 90 N -3.53 -1.03 0.51 5.12 -2.14 -1.22 -0.51 118.94 116.14 1puq s TRP 90 Ca 0.08 1.92 -0.17 0.00 2.66 0.00 0.00 56.10 60.58 1puq s TRP 90 Cb -0.02 0.56 -0.08 0.00 -3.10 0.00 0.00 33.47 30.82 1puq s TRP 90 CO -0.03 -0.54 0.99 -2.00 -2.66 0.00 0.00 176.95 172.71 1puq s GLU 91 N 2.36 3.91 5.92 3.25 -6.30 -1.21 -4.84 118.70 121.78 1puq s GLU 91 Ca -0.06 1.02 0.00 0.00 -2.50 0.00 0.00 54.97 53.43 1puq s GLU 91 Cb -0.10 -2.13 0.00 0.00 0.00 0.00 0.00 34.13 31.90 1puq s GLU 91 CO -0.17 -0.31 0.00 0.41 0.02 0.00 0.00 175.26 175.22 1puq n GLY 92 N -1.32 3.24 3.27 -1.50 0.00 -1.26 -4.61 105.19 103.01 1puq n GLY 92 Ca 0.07 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 1puq n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1puq s GLU 93 N 0.00 1.53 0.01 1.61 2.02 -1.26 -5.12 118.70 117.49 1puq s GLU 93 Ca 0.00 -0.97 -0.30 0.00 0.02 0.00 0.00 54.97 53.72 1puq s GLU 93 Cb 0.00 -1.64 -0.04 0.00 0.10 0.00 0.00 34.13 32.55 1puq s GLU 93 CO 0.00 0.42 1.12 -2.14 0.02 0.00 0.00 175.26 174.69 1puq s PRO 94 N -1.12 4.45 0.21 0.39 0.02 -1.26 -4.66 135.00 133.02 1puq s PRO 94 Ca 0.09 1.62 0.00 0.00 0.02 0.00 0.00 61.00 62.73 1puq s PRO 94 Cb -0.09 -3.43 0.00 0.00 0.02 0.00 0.00 34.50 31.00 1puq s PRO 94 CO 0.02 -0.24 0.00 -2.67 -0.33 0.00 0.00 177.00 173.78 1puq n TRP 95 N 4.24 -1.59 0.00 6.54 4.27 -0.37 -4.90 117.44 125.63 1puq n TRP 95 Ca 0.08 0.28 0.00 0.00 -3.89 0.00 0.00 57.50 53.97 1puq n TRP 95 Cb 0.48 0.39 0.00 0.00 -1.36 0.00 0.00 31.31 30.82 1puq n TRP 95 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1puq n GLY 96 N 2.14 0.60 0.00 -1.67 0.00 0.28 -3.66 105.19 102.88 1puq n GLY 96 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1puq n GLY 96 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1puq n LYS 97 N 0.00 0.00 -0.16 1.61 0.00 0.45 -4.65 118.16 115.41 1puq n LYS 97 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 58.31 58.23 1puq n LYS 97 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.04 1puq n LYS 97 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1puq h GLU 98 N 0.00 0.68 0.00 1.64 -0.00 -1.72 -3.46 114.58 111.73 1puq h GLU 98 Ca 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 59.36 59.26 1puq h GLU 98 Cb 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 28.75 28.63 1puq h GLU 98 CO 0.00 0.57 0.00 0.41 -0.00 0.00 0.00 179.01 179.99 1puq n GLY 99 N -0.91 2.28 3.21 1.06 0.00 -1.26 -5.01 105.19 104.57 1puq n GLY 99 Ca 0.01 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 1puq n GLY 99 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1puq s GLN 100 N 0.00 2.43 0.42 1.61 -2.07 -1.26 -5.08 119.66 115.70 1puq s GLN 100 Ca 0.00 -1.42 -0.22 0.00 -1.82 0.00 0.00 55.36 51.90 1puq s GLN 100 Cb 0.00 -3.50 -0.14 0.00 -1.09 0.00 0.00 33.01 28.28 1puq s GLN 100 CO 0.00 -0.82 0.34 -2.30 -1.32 0.00 0.00 175.29 171.19 1puq n PRO 101 N 4.74 0.31 -4.61 9.60 -0.02 -1.26 -4.32 135.00 139.43 1puq n PRO 101 Ca -0.10 0.11 -0.28 0.00 -2.02 0.00 0.00 63.50 61.21 1puq n PRO 101 Cb 0.43 -1.29 -0.08 0.00 -0.02 0.00 0.00 33.50 32.54 1puq n PRO 101 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1puq s GLY 102 N -0.98 2.73 0.18 -1.23 0.00 -1.26 -4.27 107.32 102.48 1puq s GLY 102 Ca 0.62 -1.03 0.08 0.00 0.00 0.00 0.00 44.72 44.39 1puq s GLY 102 CO 0.60 -1.99 -0.16 -0.54 0.00 0.00 0.00 173.10 171.01 1puq s GLU 103 N -3.79 1.29 -0.31 2.90 0.41 -1.25 -4.89 118.70 113.06 1puq s GLU 103 Ca 0.18 -1.49 -0.27 0.00 -0.41 0.00 0.00 54.97 52.98 1puq s GLU 103 Cb 0.03 -1.23 -0.06 0.00 -1.78 0.00 0.00 34.13 31.10 1puq s GLU 103 CO 0.10 0.23 2.29 -1.58 -0.49 0.00 0.00 175.26 175.81 1puq s TRP 104 N -2.46 1.13 0.32 1.61 0.51 -1.26 -3.44 118.94 115.35 1puq s TRP 104 Ca 0.19 0.89 0.10 0.00 -2.12 0.00 0.00 56.10 55.16 1puq s TRP 104 Cb -0.04 -3.81 -0.06 0.00 -0.81 0.00 0.00 33.47 28.76 1puq s TRP 104 CO 0.07 -3.56 -0.13 -1.64 -0.51 0.00 0.00 176.95 171.18 1puq s MET 105 N 7.01 1.77 -0.36 4.98 -1.94 -0.36 -4.87 119.30 125.53 1puq s MET 105 Ca 1.00 -1.88 -0.29 0.00 -1.71 0.00 0.00 55.69 52.81 1puq s MET 105 Cb -0.28 -1.72 0.02 0.00 2.01 0.00 0.00 34.83 34.86 1puq s MET 105 CO 0.32 0.20 1.08 -1.54 -0.01 0.00 0.00 175.02 175.07 1puq s SER 106 N -3.58 6.84 0.38 3.03 1.04 -1.26 0.16 113.70 120.31 1puq s SER 106 Ca 0.32 0.87 0.24 0.00 0.48 0.00 0.00 55.95 57.86 1puq s SER 106 Cb -0.00 -2.54 0.45 0.00 0.10 0.00 0.00 66.02 64.03 1puq s SER 106 CO 0.16 -0.97 1.64 0.25 0.98 0.00 0.00 173.24 175.30 1puq h LEU 107 N 10.36 0.00 -1.12 2.42 7.12 -1.82 -3.26 115.31 129.01 1puq h LEU 107 Ca -0.21 -0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.80 1puq h LEU 107 Cb 1.06 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.19 1puq h LEU 107 CO 1.05 0.00 0.10 0.52 -0.13 0.00 0.00 178.44 179.99 1puq n VAL 108 N -2.88 0.97 -2.86 1.05 0.31 -1.26 -2.47 118.33 111.19 1puq n VAL 108 Ca 0.04 0.72 -0.12 0.00 -0.01 0.00 0.00 64.34 64.97 1puq n VAL 108 Cb 0.51 -1.72 0.01 0.00 -0.91 0.00 0.00 33.84 31.73 1puq n VAL 108 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1puq n GLY 109 N -1.30 2.30 3.74 2.92 0.00 -1.23 -5.07 105.19 106.54 1puq n GLY 109 Ca -0.01 -1.44 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 1puq n GLY 109 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1puq s LEU 110 N -2.86 3.58 -0.31 0.99 0.20 -1.03 -4.99 118.68 114.27 1puq s LEU 110 Ca 0.32 2.52 -0.08 0.00 0.69 0.00 0.00 54.13 57.58 1puq s LEU 110 Cb 0.42 -4.61 0.00 0.00 -0.43 0.00 0.00 46.19 41.57 1puq s LEU 110 CO -0.01 -1.88 0.12 0.20 -0.29 0.00 0.00 176.35 174.49 1puq s ASN 111 N -1.52 5.34 0.42 3.68 0.01 -1.26 -4.94 114.94 116.67 1puq s ASN 111 Ca 0.80 -0.64 0.29 0.00 -0.71 0.00 0.00 52.86 52.60 1puq s ASN 111 Cb -0.34 -1.94 1.06 0.00 0.41 0.00 0.00 41.25 40.43 1puq s ASN 111 CO 0.38 -0.20 1.83 0.00 -1.51 0.00 0.00 177.10 177.60 1puq h ALA 112 N 8.29 1.00 0.07 0.60 0.00 -1.93 -2.65 119.26 124.66 1puq h ALA 112 Ca -0.31 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 1puq h ALA 112 Cb 1.13 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.94 1puq h ALA 112 CO 0.61 0.00 -0.51 0.22 0.00 0.00 0.00 179.25 179.57 1puq h ASP 113 N 0.00 0.32 -0.58 0.00 3.58 -1.92 -3.35 116.42 114.48 1puq h ASP 113 Ca 0.00 -0.92 -0.10 0.00 0.42 0.00 0.00 57.03 56.42 1puq h ASP 113 Cb 0.56 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.49 1puq h ASP 113 CO 0.00 1.22 -0.05 0.44 -2.88 0.00 0.00 179.24 177.98 1puq h ASP 114 N -0.52 1.05 -4.20 2.28 5.19 -1.84 -3.45 116.42 114.93 1puq h ASP 114 Ca -0.09 -0.33 -0.45 0.00 -0.62 0.00 0.00 57.03 55.55 1puq h ASP 114 Cb 1.37 -0.28 0.14 0.00 0.18 0.00 0.00 39.33 40.73 1puq h ASP 114 CO 0.10 1.12 0.38 0.72 -3.12 0.00 0.00 179.24 178.44 1puq s PHE 115 N -4.95 2.06 0.09 4.55 -0.71 -1.00 -3.09 117.98 114.92 1puq s PHE 115 Ca -0.12 0.54 -0.35 0.00 -1.04 0.00 0.00 56.93 55.97 1puq s PHE 115 Cb 0.13 -3.77 -0.14 0.00 -1.21 0.00 0.00 43.02 38.03 1puq s PHE 115 CO 0.86 -2.44 1.61 -0.35 -1.34 0.00 0.00 175.22 173.56 1puq n PRO 116 N -3.71 1.97 -0.04 1.99 -0.04 -1.23 -4.83 135.00 129.11 1puq n PRO 116 Ca 0.12 0.71 -0.08 0.00 -0.04 0.00 0.00 63.50 64.21 1puq n PRO 116 Cb 0.60 -2.48 0.08 0.00 -0.04 0.00 0.00 33.50 31.66 1puq n PRO 116 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1puq h PRO 117 N 6.40 0.67 0.00 0.54 0.13 -1.86 -2.72 132.00 135.16 1puq h PRO 117 Ca -0.46 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.34 1puq h PRO 117 Cb 1.27 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1puq h PRO 117 CO 0.89 0.93 0.00 0.00 -0.23 0.00 0.00 178.00 179.59 1puq n ALA 118 N -2.51 1.63 -0.86 -0.56 0.00 -1.26 -1.83 120.51 115.12 1puq n ALA 118 Ca -0.01 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.46 1puq n ALA 118 Cb 0.50 -1.22 0.29 0.00 0.00 0.00 0.00 19.45 19.03 1puq n ALA 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1puq n ASN 119 N -1.48 4.33 0.12 0.00 3.02 -1.03 -4.64 115.26 115.58 1puq n ASN 119 Ca 0.04 -2.84 0.02 0.00 -0.03 0.00 0.00 54.58 51.77 1puq n ASN 119 Cb 0.15 -0.55 0.38 0.00 -0.61 0.00 0.00 39.78 39.15 1puq n ASN 119 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1puq h GLU 120 N 2.58 0.22 -1.07 3.52 4.81 -1.42 -3.22 114.58 119.99 1puq h GLU 120 Ca 0.00 -0.05 0.35 0.00 -0.13 0.00 0.00 59.36 59.53 1puq h GLU 120 Cb 1.50 -0.03 -0.14 0.00 0.63 0.00 0.00 28.75 30.71 1puq h GLU 120 CO 0.27 0.39 0.64 -1.35 -0.73 0.00 0.00 179.01 178.22 1puq h PRO 121 N 0.20 0.24 0.01 0.92 0.11 -1.84 1.47 132.00 133.11 1puq h PRO 121 Ca 0.04 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 1puq h PRO 121 Cb 0.42 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.47 1puq h PRO 121 CO 0.03 0.16 -0.01 0.28 -0.21 0.00 0.00 178.00 178.25 1puq h VAL 122 N 0.25 1.50 -0.11 3.15 2.07 -1.95 -3.33 116.25 117.83 1puq h VAL 122 Ca 0.75 -1.93 -0.14 0.00 0.82 0.00 0.00 66.70 66.20 1puq h VAL 122 Cb 1.91 2.75 0.01 0.00 -1.52 0.00 0.00 31.29 34.44 1puq h VAL 122 CO -0.55 0.47 -0.46 0.40 0.02 0.00 0.00 177.57 177.45 1puq h ILE 123 N -0.90 1.37 -0.40 4.57 1.08 -1.38 -3.21 117.51 118.64 1puq h ILE 123 Ca -0.00 -1.78 0.11 0.00 -0.39 0.00 0.00 64.86 62.81 1puq h ILE 123 Cb 0.79 2.16 -0.02 0.00 -3.07 0.00 0.00 36.82 36.68 1puq h ILE 123 CO 0.00 0.53 0.38 0.00 -0.69 0.00 0.00 178.15 178.37 1puq h ALA 124 N 0.49 2.15 0.00 1.87 0.00 0.18 1.33 119.26 125.28 1puq h ALA 124 Ca -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1puq h ALA 124 Cb 1.10 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1puq h ALA 124 CO 0.10 -0.58 -0.03 -0.22 0.00 0.00 0.00 179.25 178.51 1puq h LYS 125 N 0.00 0.00 0.00 0.00 3.64 -1.66 -3.32 116.57 115.23 1puq h LYS 125 Ca 0.19 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.40 1puq h LYS 125 Cb 0.94 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 1puq h LYS 125 CO -0.00 0.65 -0.78 -0.07 -2.27 0.00 0.00 179.45 176.98 1puq h LEU 126 N -1.00 0.00 -0.83 5.20 -0.00 -1.47 -3.28 115.31 113.93 1puq h LEU 126 Ca -0.01 0.00 0.09 0.00 -0.00 0.00 0.00 57.88 57.96 1puq h LEU 126 Cb 0.67 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.26 1puq h LEU 126 CO -0.00 0.78 0.49 0.50 -0.00 0.00 0.00 178.44 180.21 1puq h LYS 127 N 0.00 0.82 0.00 1.13 3.64 0.16 0.68 116.57 123.00 1puq h LYS 127 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1puq h LYS 127 Cb 1.52 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1puq h LYS 127 CO 0.10 0.54 0.00 -2.13 -2.27 0.00 0.00 179.45 175.69 1puq n ARG 128 N -4.71 0.24 -0.12 1.90 0.63 -1.24 -4.97 116.66 108.39 1puq n ARG 128 Ca 0.13 0.12 0.00 0.00 -0.92 0.00 0.00 57.85 57.19 1puq n ARG 128 Cb 0.25 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.66 1puq n ARG 128 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59