#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwb n GLN 2 N 0.00 -1.56 -3.68 0.03 0.00 -1.26 -4.99 117.38 105.92 1nwb n GLN 2 Ca 0.00 1.52 -0.27 0.00 -0.00 0.00 0.00 57.00 58.25 1nwb n GLN 2 Cb 0.00 -2.08 -0.17 0.00 0.00 0.00 0.00 30.24 28.00 1nwb n GLN 2 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 1nwb s GLU 3 N -0.77 0.40 -0.96 3.69 2.12 -1.26 -5.07 118.70 116.86 1nwb s GLU 3 Ca -0.03 -0.29 -0.07 0.00 0.36 0.00 0.00 54.97 54.94 1nwb s GLU 3 Cb 0.00 -1.99 0.24 0.00 0.26 0.00 0.00 34.13 32.64 1nwb s GLU 3 CO 0.21 -0.66 0.89 -0.65 -0.54 0.00 0.00 175.26 174.52 1nwb s GLN 4 N 1.98 3.67 0.09 4.30 -0.21 -1.26 -5.04 119.66 123.19 1nwb s GLN 4 Ca 0.00 -3.06 -0.31 0.00 0.02 0.00 0.00 55.36 52.01 1nwb s GLN 4 Cb -0.17 -4.27 -0.09 0.00 1.00 0.00 0.00 33.01 29.48 1nwb s GLN 4 CO -0.09 -1.25 1.67 0.00 -2.12 0.00 0.00 175.29 173.50 1nwb s ALA 5 N -0.97 3.71 -0.30 6.09 0.00 -1.26 -4.95 121.76 124.08 1nwb s ALA 5 Ca 0.26 1.27 -0.04 0.00 0.00 0.00 0.00 51.96 53.45 1nwb s ALA 5 Cb -0.10 -3.70 0.19 0.00 0.00 0.00 0.00 23.12 19.51 1nwb s ALA 5 CO -0.09 -1.08 0.77 -1.14 0.00 0.00 0.00 175.76 174.22 1nwb s GLN 6 N 2.45 0.42 -0.37 0.00 0.74 -1.26 -5.12 119.66 116.52 1nwb s GLN 6 Ca 0.74 0.68 0.03 0.00 0.05 0.00 0.00 55.36 56.86 1nwb s GLN 6 Cb -0.41 0.37 0.10 0.00 1.10 0.00 0.00 33.01 34.17 1nwb s GLN 6 CO 0.33 -0.53 0.09 1.14 -0.55 0.00 0.00 175.29 175.77 1nwb s GLN 7 N 2.89 1.61 0.07 1.67 -2.07 -1.26 -4.04 119.66 118.53 1nwb s GLN 7 Ca 0.13 -1.95 0.01 0.00 -1.82 0.00 0.00 55.36 51.73 1nwb s GLN 7 Cb -0.12 -3.28 -0.04 0.00 -1.09 0.00 0.00 33.01 28.48 1nwb s GLN 7 CO -0.19 -0.98 0.20 0.12 -1.32 0.00 0.00 175.29 173.13 1nwb s PHE 8 N 0.81 3.48 0.01 9.60 2.19 -1.26 -5.08 117.98 127.73 1nwb s PHE 8 Ca 0.11 0.21 -0.27 0.00 0.33 0.00 0.00 56.93 57.31 1nwb s PHE 8 Cb -0.20 -1.73 -0.04 0.00 -1.31 0.00 0.00 43.02 39.74 1nwb s PHE 8 CO -0.07 0.57 0.87 -1.50 1.83 0.00 0.00 175.22 176.92 1nwb s ILE 9 N -1.53 4.82 -0.26 3.12 1.10 -1.26 -5.01 121.20 122.18 1nwb s ILE 9 Ca 0.34 1.83 -0.24 0.00 -0.51 0.00 0.00 60.65 62.07 1nwb s ILE 9 Cb -0.13 -4.21 0.07 0.00 0.15 0.00 0.00 42.46 38.34 1nwb s ILE 9 CO 0.27 0.25 0.70 0.12 -2.11 0.00 0.00 174.94 174.17 1nwb s PHE 10 N 0.55 -0.79 -0.12 3.50 5.36 -1.26 -3.36 117.98 121.86 1nwb s PHE 10 Ca 0.45 1.90 -0.02 0.00 -0.96 0.00 0.00 56.93 58.29 1nwb s PHE 10 Cb -0.21 0.29 0.04 0.00 -0.34 0.00 0.00 43.02 42.81 1nwb s PHE 10 CO 0.25 -0.38 0.01 0.15 -1.46 0.00 0.00 175.22 173.79 1nwb s LYS 11 N 0.48 0.64 -0.02 10.12 -0.14 -1.16 -5.01 119.74 124.65 1nwb s LYS 11 Ca -0.01 -0.12 0.07 0.00 -1.36 0.00 0.00 55.97 54.55 1nwb s LYS 11 Cb -0.05 -1.47 -0.02 0.00 -1.68 0.00 0.00 37.83 34.61 1nwb s LYS 11 CO -0.01 -0.45 -0.23 0.54 -0.76 0.00 0.00 175.35 174.44 1nwb s VAL 12 N 1.92 1.85 0.76 3.17 0.11 -1.26 -2.61 120.40 124.34 1nwb s VAL 12 Ca 0.03 -1.00 -0.14 0.00 -2.93 0.00 0.00 61.98 57.94 1nwb s VAL 12 Cb -0.14 -1.54 0.06 0.00 -1.53 0.00 0.00 36.38 33.23 1nwb s VAL 12 CO -0.07 0.52 1.20 0.42 -3.33 0.00 0.00 175.10 173.84 1nwb s THR 13 N -0.51 2.29 0.47 5.04 -4.23 -1.16 -4.80 115.64 112.73 1nwb s THR 13 Ca 0.08 0.13 0.13 0.00 -1.18 0.00 0.00 61.69 60.86 1nwb s THR 13 Cb -0.09 -2.62 0.29 0.00 1.34 0.00 0.00 72.50 71.41 1nwb s THR 13 CO -0.01 -0.09 2.07 0.44 -0.54 0.00 0.00 174.62 176.50 1nwb h ASP 14 N -0.57 0.24 -0.54 3.99 3.32 -1.98 -0.17 116.42 120.72 1nwb h ASP 14 Ca -0.47 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.52 1nwb h ASP 14 Cb 1.29 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 1nwb h ASP 14 CO 0.48 0.16 0.09 0.50 -1.72 0.00 0.00 179.24 178.76 1nwb h LYS 15 N 0.28 0.89 -0.45 3.56 3.64 -1.90 0.54 116.57 123.13 1nwb h LYS 15 Ca 0.13 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1nwb h LYS 15 Cb 0.18 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1nwb h LYS 15 CO -0.03 0.87 0.27 0.00 -2.27 0.00 0.00 179.45 178.29 1nwb h ALA 16 N 0.99 0.57 0.02 5.00 0.00 -1.25 0.24 119.26 124.84 1nwb h ALA 16 Ca 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nwb h ALA 16 Cb 0.41 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1nwb h ALA 16 CO 0.01 0.07 -0.01 0.28 0.00 0.00 0.00 179.25 179.60 1nwb h VAL 17 N 0.60 1.22 -0.59 0.00 2.07 -1.03 -3.04 116.25 115.47 1nwb h VAL 17 Ca 0.16 -0.72 0.11 0.00 0.82 0.00 0.00 66.70 67.07 1nwb h VAL 17 Cb 0.01 1.70 -0.08 0.00 -1.52 0.00 0.00 31.29 31.40 1nwb h VAL 17 CO -0.03 0.18 0.15 -0.33 0.02 0.00 0.00 177.57 177.56 1nwb h GLU 18 N -0.34 0.28 -1.04 1.57 3.07 0.31 0.23 114.58 118.66 1nwb h GLU 18 Ca -0.00 -0.02 0.28 0.00 -0.50 0.00 0.00 59.36 59.12 1nwb h GLU 18 Cb 0.32 -0.06 -0.07 0.00 -0.84 0.00 0.00 28.75 28.10 1nwb h GLU 18 CO 0.00 0.19 0.71 1.49 -1.40 0.00 0.00 179.01 180.00 1nwb h GLU 19 N 0.29 0.20 -0.15 2.33 4.57 -0.41 0.77 114.58 122.17 1nwb h GLU 19 Ca 0.31 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.39 1nwb h GLU 19 Cb 0.43 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1nwb h GLU 19 CO -0.37 0.14 -0.24 0.82 -1.18 0.00 0.00 179.01 178.18 1nwb h ILE 20 N 0.21 1.36 -0.32 2.32 1.08 -0.48 -1.04 117.51 120.64 1nwb h ILE 20 Ca 0.55 -1.47 -0.07 0.00 -0.39 0.00 0.00 64.86 63.48 1nwb h ILE 20 Cb 1.73 1.94 -0.02 0.00 -3.07 0.00 0.00 36.82 37.41 1nwb h ILE 20 CO -0.15 0.44 -0.10 0.11 -0.69 0.00 0.00 178.15 177.75 1nwb h LYS 21 N 0.06 0.53 -0.60 2.37 1.57 0.32 0.72 116.57 121.54 1nwb h LYS 21 Ca 0.01 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.54 1nwb h LYS 21 Cb 0.81 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 1nwb h LYS 21 CO 0.05 0.63 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.33 1nwb h LYS 22 N 0.49 1.07 0.01 3.15 3.11 0.39 1.44 116.57 126.24 1nwb h LYS 22 Ca 0.09 -0.35 -0.22 0.00 -2.81 0.00 0.00 60.65 57.36 1nwb h LYS 22 Cb 0.48 -0.09 -0.00 0.00 -1.00 0.00 0.00 32.23 31.61 1nwb h LYS 22 CO 0.03 1.06 -0.93 0.28 -2.81 0.00 0.00 179.45 177.07 1nwb h VAL 23 N 0.97 1.44 -0.01 2.00 2.07 -0.63 -2.71 116.25 119.38 1nwb h VAL 23 Ca 0.17 -2.54 -0.01 0.00 0.82 0.00 0.00 66.70 65.14 1nwb h VAL 23 Cb 0.59 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1nwb h VAL 23 CO 0.04 0.75 -0.04 0.00 0.02 0.00 0.00 177.57 178.34 1nwb h ALA 24 N 0.81 0.02 0.00 1.67 0.00 0.72 -2.88 119.26 119.60 1nwb h ALA 24 Ca -0.07 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1nwb h ALA 24 Cb 1.57 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1nwb h ALA 24 CO 0.15 -0.14 0.04 -0.56 0.00 0.00 0.00 179.25 178.75 1nwb h GLN 25 N -0.55 0.00 0.00 0.00 -0.00 0.19 0.85 115.11 115.60 1nwb h GLN 25 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1nwb h GLN 25 Cb 0.66 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.14 1nwb h GLN 25 CO 0.01 0.00 -0.46 0.39 -0.00 0.00 0.00 178.83 178.77 1nwb n GLU 26 N -2.76 0.04 0.00 0.06 1.02 -1.02 -3.63 120.64 114.35 1nwb n GLU 26 Ca -0.02 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1nwb n GLU 26 Cb 0.10 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 1nwb n GLU 26 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1nwb n ASN 27 N -1.59 1.05 -3.25 1.62 3.02 0.23 -5.00 115.26 111.35 1nwb n ASN 27 Ca 0.05 -1.07 -0.20 0.00 -0.03 0.00 0.00 54.58 53.33 1nwb n ASN 27 Cb 0.35 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.60 1nwb n ASN 27 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1nwb n ASN 28 N -0.04 -4.74 -4.87 6.41 2.85 0.22 -4.99 115.26 110.11 1nwb n ASN 28 Ca 0.00 -0.51 -0.37 0.00 -0.11 0.00 0.00 54.58 53.59 1nwb n ASN 28 Cb 0.03 -4.59 -0.06 0.00 1.24 0.00 0.00 39.78 36.39 1nwb n ASN 28 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1nwb s ILE 29 N -3.30 5.47 -0.97 -1.44 1.01 -0.40 -4.97 121.20 116.60 1nwb s ILE 29 Ca 0.36 0.26 0.09 0.00 0.00 0.00 0.00 60.65 61.37 1nwb s ILE 29 Cb -0.16 -3.43 0.16 0.00 0.01 0.00 0.00 42.46 39.04 1nwb s ILE 29 CO 0.65 0.61 1.00 -0.62 0.00 0.00 0.00 174.94 176.58 1nwb n GLU 30 N 2.03 1.56 -2.93 2.79 1.02 -1.26 -4.51 120.64 119.34 1nwb n GLU 30 Ca -0.19 -1.49 -0.14 0.00 -0.02 0.00 0.00 57.16 55.31 1nwb n GLU 30 Cb 0.55 -1.20 0.02 0.00 -0.02 0.00 0.00 31.44 30.78 1nwb n GLU 30 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1nwb n ASN 31 N 0.44 -1.37 -4.68 1.62 3.02 -1.26 -4.86 115.26 108.17 1nwb n ASN 31 Ca 0.07 -3.21 -0.43 0.00 -0.03 0.00 0.00 54.58 50.99 1nwb n ASN 31 Cb 0.31 0.84 -0.02 0.00 -0.61 0.00 0.00 39.78 40.30 1nwb n ASN 31 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1nwb s PRO 32 N -0.41 4.30 -0.54 3.52 0.04 -1.26 -4.89 135.00 135.75 1nwb s PRO 32 Ca 0.32 1.69 -0.17 0.00 0.04 0.00 0.00 61.00 62.88 1nwb s PRO 32 Cb 0.25 -3.64 0.11 0.00 0.04 0.00 0.00 34.50 31.26 1nwb s PRO 32 CO -0.14 -0.56 0.55 0.42 0.04 0.00 0.00 177.00 177.32 1nwb s ILE 33 N 2.74 5.08 -0.36 0.56 1.01 -1.26 -2.39 121.20 126.58 1nwb s ILE 33 Ca 0.56 -1.23 -0.20 0.00 0.00 0.00 0.00 60.65 59.77 1nwb s ILE 33 Cb -0.24 -4.35 0.00 0.00 0.01 0.00 0.00 42.46 37.88 1nwb s ILE 33 CO 0.19 -0.90 0.64 -0.22 0.00 0.00 0.00 174.94 174.65 1nwb s LEU 34 N 1.99 4.26 -0.25 2.97 2.96 -0.40 -0.41 118.68 129.80 1nwb s LEU 34 Ca 0.06 0.15 -0.09 0.00 -0.22 0.00 0.00 54.13 54.03 1nwb s LEU 34 Cb -0.27 -2.79 -0.04 0.00 0.50 0.00 0.00 46.19 43.59 1nwb s LEU 34 CO 0.05 -0.60 0.14 0.00 -1.32 0.00 0.00 176.35 174.62 1nwb s ARG 35 N 2.72 3.90 -0.47 1.98 1.70 -1.18 -0.94 118.95 126.66 1nwb s ARG 35 Ca 0.25 -0.35 -0.23 0.00 -0.47 0.00 0.00 55.73 54.93 1nwb s ARG 35 Cb -0.14 -3.49 0.03 0.00 -0.57 0.00 0.00 34.95 30.77 1nwb s ARG 35 CO 0.15 -0.07 0.78 0.42 -1.08 0.00 0.00 175.30 175.49 1nwb s ILE 36 N 1.40 4.65 0.17 4.99 1.09 -0.92 -4.42 121.20 128.16 1nwb s ILE 36 Ca 0.06 0.28 0.09 0.00 -1.10 0.00 0.00 60.65 59.99 1nwb s ILE 36 Cb -0.15 -4.34 -0.04 0.00 -1.06 0.00 0.00 42.46 36.87 1nwb s ILE 36 CO 0.06 -0.78 -0.19 0.00 -0.10 0.00 0.00 174.94 173.93 1nwb s ARG 37 N 3.28 1.33 0.61 2.79 1.70 -1.26 -3.31 118.95 124.10 1nwb s ARG 37 Ca 0.28 -1.43 -0.14 0.00 -0.47 0.00 0.00 55.73 53.97 1nwb s ARG 37 Cb -0.13 -1.44 -0.03 0.00 -0.57 0.00 0.00 34.95 32.77 1nwb s ARG 37 CO 0.21 0.30 1.04 0.08 -1.08 0.00 0.00 175.30 175.84 1nwb s VAL 38 N -1.96 4.19 -0.05 4.99 1.01 -1.26 -1.97 120.40 125.35 1nwb s VAL 38 Ca 0.17 0.89 0.02 0.00 0.00 0.00 0.00 61.98 63.07 1nwb s VAL 38 Cb -0.06 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.78 1nwb s VAL 38 CO 0.07 -0.75 -0.12 -0.69 0.00 0.00 0.00 175.10 173.61 1nwb s VAL 39 N -2.78 1.08 -1.11 2.92 1.01 -1.22 -4.76 120.40 115.55 1nwb s VAL 39 Ca 0.59 -0.47 -0.17 0.00 0.00 0.00 0.00 61.98 61.94 1nwb s VAL 39 Cb -0.13 -0.98 -0.07 0.00 0.00 0.00 0.00 36.38 35.21 1nwb s VAL 39 CO 0.43 0.34 2.11 -0.81 0.00 0.00 0.00 175.10 177.17 1nwb n PRO 40 N 3.65 2.21 0.14 2.72 -0.04 -1.26 -3.81 135.00 138.62 1nwb n PRO 40 Ca -0.22 -2.15 0.00 0.00 -0.04 0.00 0.00 63.50 61.09 1nwb n PRO 40 Cb 0.52 -3.04 0.00 0.00 -0.04 0.00 0.00 33.50 30.94 1nwb n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nwb n GLY 41 N 4.26 -0.41 3.43 0.55 0.00 -1.26 -5.05 105.19 106.71 1nwb n GLY 41 Ca 0.52 0.02 -0.50 0.00 0.00 0.00 0.00 46.02 46.06 1nwb n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nwb n GLY 42 N 1.28 0.35 0.17 -0.02 0.00 -1.25 -4.79 105.19 100.93 1nwb n GLY 42 Ca 0.00 0.95 -0.20 0.00 0.00 0.00 0.00 46.02 46.77 1nwb n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nwb n SER 44 N -3.97 2.03 -3.68 0.00 7.64 -1.26 -4.86 113.62 109.52 1nwb n SER 44 Ca -0.12 0.10 -0.28 0.00 1.01 0.00 0.00 58.87 59.59 1nwb n SER 44 Cb 0.84 -0.69 -0.16 0.00 -1.01 0.00 0.00 64.21 63.19 1nwb n SER 44 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1nwb s GLY 45 N -5.89 0.65 -0.98 0.23 0.00 -1.26 -5.07 107.32 95.01 1nwb s GLY 45 Ca -0.29 -0.81 -0.24 0.00 0.00 0.00 0.00 44.72 43.38 1nwb s GLY 45 CO 0.66 1.61 1.99 -1.36 0.00 0.00 0.00 173.10 176.00 1nwb s PHE 46 N 1.92 1.77 0.29 1.90 0.08 -1.24 -4.19 117.98 118.51 1nwb s PHE 46 Ca 0.03 0.75 -0.29 0.00 0.12 0.00 0.00 56.93 57.54 1nwb s PHE 46 Cb -0.17 -3.96 -0.10 0.00 -0.57 0.00 0.00 43.02 38.23 1nwb s PHE 46 CO -0.15 -1.54 1.20 1.14 -0.10 0.00 0.00 175.22 175.77 1nwb s GLN 47 N 7.06 4.50 0.28 0.44 0.00 -1.26 -4.64 119.66 126.03 1nwb s GLN 47 Ca 0.72 1.99 -0.22 0.00 -0.00 0.00 0.00 55.36 57.85 1nwb s GLN 47 Cb -0.05 -3.15 -0.09 0.00 0.00 0.00 0.00 33.01 29.72 1nwb s GLN 47 CO 0.04 -0.00 0.82 0.71 0.00 0.00 0.00 175.29 176.86 1nwb s TYR 48 N -0.97 3.62 0.39 9.60 1.51 -1.26 -3.37 117.35 126.87 1nwb s TYR 48 Ca 0.48 1.52 -0.02 0.00 -1.01 0.00 0.00 57.07 58.04 1nwb s TYR 48 Cb -0.35 -2.73 -0.04 0.00 -0.11 0.00 0.00 41.96 38.73 1nwb s TYR 48 CO 0.45 0.24 0.64 0.00 -1.11 0.00 0.00 175.55 175.77 1nwb s ALA 49 N -1.64 3.58 0.04 3.71 0.00 -0.83 -4.68 121.76 121.93 1nwb s ALA 49 Ca 0.48 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.75 1nwb s ALA 49 Cb -0.16 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.61 1nwb s ALA 49 CO 0.21 -0.11 0.00 1.41 0.00 0.00 0.00 175.76 177.28 1nwb s MET 50 N -4.37 2.70 -0.03 0.00 1.75 -1.26 -4.00 119.30 114.10 1nwb s MET 50 Ca 0.43 -0.70 -0.30 0.00 -1.25 0.00 0.00 55.69 53.88 1nwb s MET 50 Cb -0.10 -2.62 0.11 0.00 2.84 0.00 0.00 34.83 35.06 1nwb s MET 50 CO 0.38 0.59 1.31 0.20 -0.65 0.00 0.00 175.02 176.85 1nwb s GLY 51 N -1.86 -0.28 -0.15 2.11 0.00 -1.26 -5.06 107.32 100.81 1nwb s GLY 51 Ca 0.22 0.40 0.01 0.00 0.00 0.00 0.00 44.72 45.35 1nwb s GLY 51 CO 0.14 2.91 -0.18 -0.11 0.00 0.00 0.00 173.10 175.85 1nwb s PHE 52 N -2.17 2.73 0.78 1.90 -0.71 -1.26 -3.10 117.98 116.15 1nwb s PHE 52 Ca 0.22 -1.15 -0.07 0.00 -1.04 0.00 0.00 56.93 54.90 1nwb s PHE 52 Cb 0.03 -1.85 0.13 0.00 -1.21 0.00 0.00 43.02 40.12 1nwb s PHE 52 CO -0.03 -0.52 1.09 0.34 -1.34 0.00 0.00 175.22 174.77 1nwb s ASP 53 N 0.78 4.11 -0.04 1.98 2.15 0.46 -4.97 116.67 121.13 1nwb s ASP 53 Ca -0.07 0.02 0.06 0.00 0.43 0.00 0.00 52.55 52.99 1nwb s ASP 53 Cb -0.16 -0.37 -0.24 0.00 -0.30 0.00 0.00 42.92 41.85 1nwb s ASP 53 CO -0.00 -2.05 0.69 -0.78 -0.17 0.00 0.00 175.17 172.86 1nwb h ASP 54 N -0.86 0.14 -5.30 -0.34 3.58 -2.00 -3.41 116.42 108.23 1nwb h ASP 54 Ca -0.41 -0.26 0.15 0.00 0.42 0.00 0.00 57.03 56.94 1nwb h ASP 54 Cb 1.27 -0.04 -0.06 0.00 1.72 0.00 0.00 39.33 42.21 1nwb h ASP 54 CO 0.44 1.23 0.47 0.28 -2.88 0.00 0.00 179.24 178.78 1nwb s THR 55 N -2.60 0.00 0.53 2.25 -1.32 -1.26 -5.04 115.64 108.19 1nwb s THR 55 Ca -0.08 -0.70 -0.15 0.00 -1.21 0.00 0.00 61.69 59.55 1nwb s THR 55 Cb 0.08 -2.21 -0.07 0.00 -1.51 0.00 0.00 72.50 68.79 1nwb s THR 55 CO 0.82 0.00 0.97 -0.69 -2.21 0.00 0.00 174.62 173.51 1nwb s VAL 56 N -3.09 4.60 0.73 5.08 1.01 -1.26 -5.07 120.40 122.40 1nwb s VAL 56 Ca 0.14 1.08 -0.07 0.00 0.00 0.00 0.00 61.98 63.13 1nwb s VAL 56 Cb -0.02 -3.76 0.08 0.00 0.00 0.00 0.00 36.38 32.68 1nwb s VAL 56 CO 0.04 -0.78 1.04 -1.61 0.00 0.00 0.00 175.10 173.79 1nwb s GLU 57 N -4.30 2.03 -0.08 2.72 2.02 -1.26 -4.94 118.70 114.89 1nwb s GLU 57 Ca 0.57 -0.32 0.01 0.00 0.02 0.00 0.00 54.97 55.25 1nwb s GLU 57 Cb -0.10 -2.15 0.14 0.00 0.10 0.00 0.00 34.13 32.11 1nwb s GLU 57 CO 0.36 -1.35 1.10 -1.91 0.02 0.00 0.00 175.26 173.48 1nwb n GLU 58 N -2.99 1.34 0.00 1.61 2.13 -1.26 -3.84 120.64 117.63 1nwb n GLU 58 Ca 0.09 -0.59 0.00 0.00 0.66 0.00 0.00 57.16 57.32 1nwb n GLU 58 Cb 0.60 -1.31 0.00 0.00 0.27 0.00 0.00 31.44 31.01 1nwb n GLU 58 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1nwb n GLY 59 N 0.17 -0.42 3.64 8.31 0.00 -1.26 -5.13 105.19 110.50 1nwb n GLY 59 Ca 0.11 0.18 -0.25 0.00 0.00 0.00 0.00 46.02 46.05 1nwb n GLY 59 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nwb s ASP 60 N 0.00 4.11 -0.29 1.61 -1.08 -1.25 -4.73 116.67 115.04 1nwb s ASP 60 Ca 0.00 -1.10 -0.29 0.00 -0.52 0.00 0.00 52.55 50.64 1nwb s ASP 60 Cb 0.00 -0.48 0.01 0.00 -1.46 0.00 0.00 42.92 40.99 1nwb s ASP 60 CO 0.00 -0.32 1.15 -2.28 0.52 0.00 0.00 175.17 174.23 1nwb s HIS 61 N -2.58 3.02 -0.62 -5.34 5.65 -1.24 -4.93 115.29 109.26 1nwb s HIS 61 Ca 0.36 1.12 -0.19 0.00 0.25 0.00 0.00 55.06 56.60 1nwb s HIS 61 Cb 0.03 -3.68 0.11 0.00 -1.18 0.00 0.00 32.58 27.86 1nwb s HIS 61 CO 0.19 -1.07 0.72 0.08 -0.65 0.00 0.00 174.74 174.01 1nwb s VAL 62 N 3.76 4.87 -0.28 0.89 1.01 -1.26 -3.56 120.40 125.83 1nwb s VAL 62 Ca 0.49 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.35 1nwb s VAL 62 Cb -0.15 -4.50 0.05 0.00 0.00 0.00 0.00 36.38 31.79 1nwb s VAL 62 CO 0.16 -1.13 -0.05 0.12 0.00 0.00 0.00 175.10 174.20 1nwb s PHE 63 N 2.51 3.25 -0.10 5.22 5.36 -1.18 -4.88 117.98 128.17 1nwb s PHE 63 Ca 0.13 -2.04 -0.30 0.00 -0.96 0.00 0.00 56.93 53.76 1nwb s PHE 63 Cb -0.23 -2.03 -0.02 0.00 -0.34 0.00 0.00 43.02 40.40 1nwb s PHE 63 CO 0.04 -0.83 1.11 -1.21 -1.46 0.00 0.00 175.22 172.87 1nwb s GLU 64 N 1.20 4.36 0.00 10.12 2.02 -1.26 -2.52 118.70 132.62 1nwb s GLU 64 Ca -0.06 1.53 0.00 0.00 0.02 0.00 0.00 54.97 56.45 1nwb s GLU 64 Cb -0.20 -3.57 0.00 0.00 0.10 0.00 0.00 34.13 30.46 1nwb s GLU 64 CO -0.03 -0.43 0.00 0.66 0.02 0.00 0.00 175.26 175.48 1nwb n TYR 65 N 5.32 -1.16 -0.98 1.61 4.01 0.44 -4.96 117.16 121.45 1nwb n TYR 65 Ca 0.10 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.41 1nwb n TYR 65 Cb 0.47 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.42 1nwb n TYR 65 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1nwb n ASP 66 N -1.49 2.05 -0.20 7.72 -0.08 -1.26 -3.10 116.55 120.19 1nwb n ASP 66 Ca 0.00 -2.62 -0.02 0.00 -1.51 0.00 0.00 54.79 50.64 1nwb n ASP 66 Cb 0.00 -0.95 -0.00 0.00 2.34 0.00 0.00 41.12 42.51 1nwb n ASP 66 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1nwb n GLY 67 N 4.73 0.30 3.25 0.27 0.00 -1.26 -5.04 105.19 107.44 1nwb n GLY 67 Ca 0.49 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 1nwb n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nwb s VAL 68 N -2.09 0.12 0.19 1.61 1.01 -1.18 -4.69 120.40 115.37 1nwb s VAL 68 Ca 0.00 -1.07 0.09 0.00 0.00 0.00 0.00 61.98 61.00 1nwb s VAL 68 Cb 0.00 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1nwb s VAL 68 CO 0.00 -0.52 -0.18 -0.75 0.00 0.00 0.00 175.10 173.65 1nwb s LYS 69 N -3.86 1.35 0.04 2.72 2.20 -1.01 0.17 119.74 121.34 1nwb s LYS 69 Ca 0.06 -1.50 -0.01 0.00 -0.36 0.00 0.00 55.97 54.17 1nwb s LYS 69 Cb 0.04 -1.36 -0.03 0.00 -1.51 0.00 0.00 37.83 34.96 1nwb s LYS 69 CO -0.10 0.27 -0.03 0.08 -0.36 0.00 0.00 175.35 175.21 1nwb s VAL 70 N -2.29 0.18 -0.20 4.02 1.01 -1.05 -1.27 120.40 120.81 1nwb s VAL 70 Ca 0.19 -1.47 -0.04 0.00 0.00 0.00 0.00 61.98 60.66 1nwb s VAL 70 Cb -0.05 -1.05 0.10 0.00 0.00 0.00 0.00 36.38 35.39 1nwb s VAL 70 CO 0.08 -0.81 0.25 0.68 0.00 0.00 0.00 175.10 175.30 1nwb s VAL 71 N -2.99 -0.38 0.35 2.92 -7.23 -0.12 -3.08 120.40 109.87 1nwb s VAL 71 Ca -0.02 -0.07 0.02 0.00 -1.81 0.00 0.00 61.98 60.10 1nwb s VAL 71 Cb 0.01 -0.68 -0.02 0.00 0.56 0.00 0.00 36.38 36.25 1nwb s VAL 71 CO -0.07 -0.16 0.54 -0.63 -0.31 0.00 0.00 175.10 174.48 1nwb s ILE 72 N 2.37 4.79 0.44 -0.62 1.01 -1.26 -2.16 121.20 125.77 1nwb s ILE 72 Ca 0.07 -0.60 -0.21 0.00 0.00 0.00 0.00 60.65 59.91 1nwb s ILE 72 Cb -0.15 -3.74 -0.10 0.00 0.01 0.00 0.00 42.46 38.48 1nwb s ILE 72 CO -0.12 -0.44 0.98 -1.81 0.00 0.00 0.00 174.94 173.55 1nwb s ASP 73 N -4.08 6.78 0.42 3.58 1.01 -1.21 -3.60 116.67 119.57 1nwb s ASP 73 Ca 0.41 1.80 0.23 0.00 0.71 0.00 0.00 52.55 55.70 1nwb s ASP 73 Cb -0.10 -2.55 0.66 0.00 1.01 0.00 0.00 42.92 41.94 1nwb s ASP 73 CO 0.35 -0.47 1.71 1.55 0.21 0.00 0.00 175.17 178.52 1nwb h PRO 74 N 1.95 0.00 0.00 8.23 0.13 -1.96 0.42 132.00 140.77 1nwb h PRO 74 Ca -0.49 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.48 1nwb h PRO 74 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1nwb h PRO 74 CO 0.61 0.22 -1.76 1.19 -0.23 0.00 0.00 178.00 178.02 1nwb n PHE 75 N -3.25 0.50 0.01 1.56 3.72 -1.26 -4.15 117.46 114.59 1nwb n PHE 75 Ca 0.01 0.16 -0.02 0.00 -0.05 0.00 0.00 57.45 57.56 1nwb n PHE 75 Cb 0.51 -0.91 -0.10 0.00 -0.94 0.00 0.00 39.48 38.03 1nwb n PHE 75 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1nwb n SER 76 N -2.68 0.76 -0.17 4.37 7.64 -1.18 -4.11 113.62 118.25 1nwb n SER 76 Ca -0.13 0.34 -0.05 0.00 1.01 0.00 0.00 58.87 60.04 1nwb n SER 76 Cb 0.83 0.26 0.04 0.00 -1.01 0.00 0.00 64.21 64.33 1nwb n SER 76 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1nwb h MET 77 N 0.00 0.54 0.00 1.43 2.86 -0.32 0.53 114.93 119.98 1nwb h MET 77 Ca -0.21 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1nwb h MET 77 Cb 1.70 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 33.24 1nwb h MET 77 CO 0.05 0.36 0.00 -0.35 1.06 0.00 0.00 176.91 178.03 1nwb n PRO 78 N -4.83 0.75 -0.00 -0.22 -0.04 -1.26 -1.63 135.00 127.77 1nwb n PRO 78 Ca 0.04 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.59 1nwb n PRO 78 Cb 0.10 -1.36 -0.15 0.00 -0.04 0.00 0.00 33.50 32.05 1nwb n PRO 78 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1nwb n TYR 79 N -0.86 0.13 -2.77 0.54 4.19 0.15 -4.49 117.16 114.06 1nwb n TYR 79 Ca 0.13 0.04 -0.03 0.00 3.31 0.00 0.00 57.90 61.35 1nwb n TYR 79 Cb 0.06 -0.59 0.05 0.00 0.49 0.00 0.00 39.34 39.35 1nwb n TYR 79 CO 0.00 0.00 0.00 1.33 0.91 0.00 0.00 176.86 179.10 1nwb n VAL 80 N -2.35 1.07 -1.56 2.97 0.24 -0.97 -5.06 118.33 112.67 1nwb n VAL 80 Ca -0.05 -2.81 -0.47 0.00 -2.04 0.00 0.00 64.34 58.97 1nwb n VAL 80 Cb 0.60 1.08 -0.03 0.00 -1.47 0.00 0.00 33.84 34.02 1nwb n VAL 80 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1nwb n ASN 81 N -0.48 0.97 -2.58 -1.34 0.23 -0.65 0.21 115.26 111.63 1nwb n ASN 81 Ca 0.06 1.16 -0.07 0.00 -0.53 0.00 0.00 54.58 55.19 1nwb n ASN 81 Cb 0.81 -1.21 -0.01 0.00 -2.08 0.00 0.00 39.78 37.29 1nwb n ASN 81 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1nwb n GLY 82 N 1.67 -0.41 3.41 4.83 0.00 -1.21 -4.85 105.19 108.64 1nwb n GLY 82 Ca 0.13 0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 1nwb n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nwb n ALA 83 N -2.41 -2.14 -3.81 4.61 0.00 0.13 -4.76 120.51 112.14 1nwb n ALA 83 Ca 0.02 -1.56 -0.29 0.00 0.00 0.00 0.00 53.44 51.62 1nwb n ALA 83 Cb 0.42 -0.09 -0.16 0.00 0.00 0.00 0.00 19.45 19.61 1nwb n ALA 83 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1nwb s GLU 84 N -5.51 1.02 -0.49 0.00 2.12 -1.25 -2.97 118.70 111.61 1nwb s GLU 84 Ca 0.68 -0.64 -0.18 0.00 0.36 0.00 0.00 54.97 55.19 1nwb s GLU 84 Cb -0.04 -2.29 0.05 0.00 0.26 0.00 0.00 34.13 32.11 1nwb s GLU 84 CO 0.49 -0.62 0.57 -1.17 -0.54 0.00 0.00 175.26 173.99 1nwb s LEU 85 N 1.68 5.03 -0.52 2.70 2.96 -1.07 -1.54 118.68 127.91 1nwb s LEU 85 Ca -0.03 -0.91 -0.17 0.00 -0.22 0.00 0.00 54.13 52.80 1nwb s LEU 85 Cb -0.18 -2.42 0.10 0.00 0.50 0.00 0.00 46.19 44.20 1nwb s LEU 85 CO -0.07 -0.81 0.51 -0.62 -1.32 0.00 0.00 176.35 174.03 1nwb s ASP 86 N 2.54 6.18 -0.15 3.68 -1.08 0.16 -3.00 116.67 125.00 1nwb s ASP 86 Ca 0.14 -1.50 -0.24 0.00 -0.52 0.00 0.00 52.55 50.42 1nwb s ASP 86 Cb -0.19 -2.22 -0.02 0.00 -1.46 0.00 0.00 42.92 39.02 1nwb s ASP 86 CO 0.12 -0.83 0.76 -0.47 0.52 0.00 0.00 175.17 175.27 1nwb s TYR 87 N 1.87 3.46 0.13 -5.34 5.04 -1.26 -2.42 117.35 118.82 1nwb s TYR 87 Ca 0.06 1.20 -0.19 0.00 -2.44 0.00 0.00 57.07 55.69 1nwb s TYR 87 Cb -0.26 -2.92 -0.07 0.00 0.35 0.00 0.00 41.96 39.05 1nwb s TYR 87 CO 0.05 -0.14 0.63 0.08 -1.34 0.00 0.00 175.55 174.83 1nwb s VAL 88 N 1.74 4.67 -0.20 3.14 1.01 -1.20 -4.30 120.40 125.27 1nwb s VAL 88 Ca 0.36 1.23 -0.00 0.00 0.00 0.00 0.00 61.98 63.57 1nwb s VAL 88 Cb -0.17 -3.90 0.05 0.00 0.00 0.00 0.00 36.38 32.37 1nwb s VAL 88 CO 0.14 0.43 -0.04 -0.69 0.00 0.00 0.00 175.10 174.94 1nwb s VAL 89 N -1.26 1.18 0.00 2.92 1.01 -1.26 0.12 120.40 123.12 1nwb s VAL 89 Ca 0.34 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.47 1nwb s VAL 89 Cb -0.19 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.75 1nwb s VAL 89 CO 0.20 -0.01 0.00 -0.67 0.00 0.00 0.00 175.10 174.62 1nwb n ASP 90 N 4.82 0.36 0.18 3.32 -0.08 -1.26 -4.93 116.55 118.97 1nwb n ASP 90 Ca -0.12 0.00 0.10 0.00 -1.51 0.00 0.00 54.79 53.26 1nwb n ASP 90 Cb 0.46 0.00 0.51 0.00 2.34 0.00 0.00 41.12 44.43 1nwb n ASP 90 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1nwb h PHE 91 N 0.00 0.00 -0.13 -0.67 0.04 -2.00 0.49 116.94 114.67 1nwb h PHE 91 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1nwb h PHE 91 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1nwb h PHE 91 CO 0.00 0.00 0.00 -1.33 -0.60 0.00 0.00 178.31 176.38 1nwb n MET 92 N -2.23 1.31 -1.60 1.51 2.81 -1.26 -4.85 117.12 112.81 1nwb n MET 92 Ca -0.01 -0.48 -0.08 0.00 -1.81 0.00 0.00 57.70 55.32 1nwb n MET 92 Cb 0.21 -1.13 -0.02 0.00 -0.71 0.00 0.00 33.22 31.57 1nwb n MET 92 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1nwb n GLY 93 N 0.74 0.38 0.00 3.03 0.00 0.17 -4.32 105.19 105.19 1nwb n GLY 93 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1nwb n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nwb n GLY 94 N -0.31 2.79 3.76 -0.02 0.00 -1.25 -4.92 105.19 105.24 1nwb n GLY 94 Ca -0.08 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.55 1nwb n GLY 94 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nwb n GLY 95 N 0.79 3.06 2.92 -0.02 0.00 0.33 -4.96 105.19 107.32 1nwb n GLY 95 Ca 0.00 -2.33 -0.28 0.00 0.00 0.00 0.00 46.02 43.41 1nwb n GLY 95 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nwb s PHE 96 N -2.78 1.79 -0.04 1.61 0.08 -1.26 -3.27 117.98 114.11 1nwb s PHE 96 Ca 0.19 -1.09 -0.00 0.00 0.12 0.00 0.00 56.93 56.15 1nwb s PHE 96 Cb -0.02 -1.37 0.03 0.00 -0.57 0.00 0.00 43.02 41.09 1nwb s PHE 96 CO 0.12 -0.62 0.01 0.99 -0.10 0.00 0.00 175.22 175.62 1nwb s THR 97 N 1.60 0.16 -0.17 0.64 2.01 -1.01 -4.84 115.64 114.04 1nwb s THR 97 Ca 0.02 0.14 -0.00 0.00 0.31 0.00 0.00 61.69 62.16 1nwb s THR 97 Cb -0.14 -0.29 0.00 0.00 0.01 0.00 0.00 72.50 72.08 1nwb s THR 97 CO -0.08 0.16 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.24 1nwb s ILE 98 N 1.30 2.67 -0.33 1.82 -1.09 -1.26 0.38 121.20 124.69 1nwb s ILE 98 Ca -0.06 -0.76 0.02 0.00 -2.23 0.00 0.00 60.65 57.62 1nwb s ILE 98 Cb -0.13 -2.14 0.10 0.00 -1.58 0.00 0.00 42.46 38.71 1nwb s ILE 98 CO -0.02 0.51 0.08 -0.60 -1.23 0.00 0.00 174.94 173.67 1nwb s ARG 99 N 0.97 1.12 0.65 2.79 6.06 -0.59 -4.97 118.95 124.98 1nwb s ARG 99 Ca -0.02 -1.51 -0.15 0.00 -2.50 0.00 0.00 55.73 51.54 1nwb s ARG 99 Cb -0.15 -2.61 -0.00 0.00 0.06 0.00 0.00 34.95 32.24 1nwb s ARG 99 CO -0.02 -0.97 1.11 -0.80 -2.50 0.00 0.00 175.30 172.12 1nwb s ASN 100 N 1.21 5.12 0.00 -2.12 -0.87 -1.26 -3.95 114.94 113.07 1nwb s ASN 100 Ca 0.11 2.01 0.24 0.00 -1.57 0.00 0.00 52.86 53.65 1nwb s ASN 100 Cb -0.18 -2.55 1.43 0.00 -0.02 0.00 0.00 41.25 39.92 1nwb s ASN 100 CO -0.16 -1.62 1.80 -0.81 -2.57 0.00 0.00 177.10 173.74