#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwb s GLN 2 N 0.00 1.42 -0.02 0.03 1.11 -1.26 -5.18 119.66 115.76 1nwb s GLN 2 Ca 0.00 -0.92 -0.08 0.00 0.01 0.00 0.00 55.36 54.38 1nwb s GLN 2 Cb 0.00 0.40 0.01 0.00 -1.01 0.00 0.00 33.01 32.41 1nwb s GLN 2 CO 0.00 -0.67 0.17 -1.21 0.01 0.00 0.00 175.29 173.59 1nwb s GLU 3 N -2.19 0.43 -0.08 2.91 2.02 -1.26 -5.15 118.70 115.38 1nwb s GLU 3 Ca 0.21 -0.19 0.03 0.00 0.02 0.00 0.00 54.97 55.04 1nwb s GLU 3 Cb -0.03 0.18 0.01 0.00 0.10 0.00 0.00 34.13 34.39 1nwb s GLU 3 CO 0.06 -0.10 -0.17 -1.14 0.02 0.00 0.00 175.26 173.93 1nwb s GLN 4 N -0.96 2.29 -0.02 1.61 -0.44 -1.26 -5.09 119.66 115.80 1nwb s GLN 4 Ca -0.10 -0.62 -0.34 0.00 -2.50 0.00 0.00 55.36 51.80 1nwb s GLN 4 Cb -0.06 -1.81 -0.12 0.00 -1.64 0.00 0.00 33.01 29.38 1nwb s GLN 4 CO 0.01 0.08 1.79 0.00 0.50 0.00 0.00 175.29 177.67 1nwb n ALA 5 N 3.72 0.99 -2.56 1.58 0.00 -1.26 -4.86 120.51 118.11 1nwb n ALA 5 Ca -0.21 0.33 -0.09 0.00 0.00 0.00 0.00 53.44 53.47 1nwb n ALA 5 Cb 0.52 -2.45 0.04 0.00 0.00 0.00 0.00 19.45 17.56 1nwb n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nwb n GLN 6 N 5.64 2.32 -3.95 0.00 0.00 -1.26 -4.75 117.38 115.38 1nwb n GLN 6 Ca 0.21 -3.73 -0.31 0.00 0.00 0.00 0.00 57.00 53.17 1nwb n GLN 6 Cb 0.29 -1.81 -0.15 0.00 0.00 0.00 0.00 30.24 28.57 1nwb n GLN 6 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.06 178.20 1nwb s GLN 7 N -3.67 1.56 -0.01 2.61 -2.07 -1.26 0.94 119.66 117.75 1nwb s GLN 7 Ca 0.35 -1.31 -0.10 0.00 -1.82 0.00 0.00 55.36 52.48 1nwb s GLN 7 Cb 0.36 -2.73 -0.05 0.00 -1.09 0.00 0.00 33.01 29.51 1nwb s GLN 7 CO -0.02 -0.74 0.31 -0.59 -1.32 0.00 0.00 175.29 172.93 1nwb s PHE 8 N 1.24 3.64 -0.47 9.60 -0.12 -1.26 -5.03 117.98 125.58 1nwb s PHE 8 Ca 0.00 0.76 -0.24 0.00 -0.05 0.00 0.00 56.93 57.40 1nwb s PHE 8 Cb -0.19 -2.12 0.03 0.00 -0.63 0.00 0.00 43.02 40.11 1nwb s PHE 8 CO -0.09 0.64 0.87 0.42 -0.05 0.00 0.00 175.22 177.01 1nwb s ILE 9 N -1.17 4.53 -0.03 -4.49 -1.09 -1.26 -4.98 121.20 112.71 1nwb s ILE 9 Ca 0.24 0.57 -0.30 0.00 -2.23 0.00 0.00 60.65 58.93 1nwb s ILE 9 Cb -0.14 -4.41 0.07 0.00 -1.58 0.00 0.00 42.46 36.40 1nwb s ILE 9 CO 0.12 -0.83 0.69 0.12 -1.23 0.00 0.00 174.94 173.82 1nwb s PHE 10 N 3.60 -0.63 -0.08 3.97 5.36 -1.26 0.60 117.98 129.55 1nwb s PHE 10 Ca 0.34 1.00 0.02 0.00 -0.96 0.00 0.00 56.93 57.33 1nwb s PHE 10 Cb -0.11 0.43 0.01 0.00 -0.34 0.00 0.00 43.02 43.01 1nwb s PHE 10 CO 0.24 -0.62 -0.13 0.15 -1.46 0.00 0.00 175.22 173.40 1nwb s LYS 11 N -1.49 1.87 -0.00 10.12 -0.14 -1.17 -4.98 119.74 123.94 1nwb s LYS 11 Ca -0.09 -0.46 0.06 0.00 -1.36 0.00 0.00 55.97 54.13 1nwb s LYS 11 Cb -0.00 -1.58 -0.02 0.00 -1.68 0.00 0.00 37.83 34.56 1nwb s LYS 11 CO 0.07 -0.01 -0.21 0.54 -0.76 0.00 0.00 175.35 174.98 1nwb s VAL 12 N 0.81 1.63 0.74 3.17 0.11 -1.26 -3.32 120.40 122.27 1nwb s VAL 12 Ca -0.11 -0.93 -0.14 0.00 -2.93 0.00 0.00 61.98 57.86 1nwb s VAL 12 Cb -0.15 -1.36 0.04 0.00 -1.53 0.00 0.00 36.38 33.38 1nwb s VAL 12 CO 0.02 0.41 1.18 0.42 -3.33 0.00 0.00 175.10 173.80 1nwb s THR 13 N -0.54 2.46 0.55 5.04 -4.23 -1.25 -4.81 115.64 112.85 1nwb s THR 13 Ca 0.08 0.21 0.34 0.00 -1.18 0.00 0.00 61.69 61.14 1nwb s THR 13 Cb -0.08 -2.72 0.37 0.00 1.34 0.00 0.00 72.50 71.42 1nwb s THR 13 CO -0.00 -0.13 2.24 0.44 -0.54 0.00 0.00 174.62 176.62 1nwb h ASP 14 N -0.44 0.00 -0.67 3.99 5.19 -1.98 -0.49 116.42 122.01 1nwb h ASP 14 Ca -0.47 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 55.87 1nwb h ASP 14 Cb 1.28 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.76 1nwb h ASP 14 CO 0.50 0.03 0.16 0.50 -3.12 0.00 0.00 179.24 177.30 1nwb h LYS 15 N 0.00 1.09 0.04 3.56 3.11 -1.93 1.36 116.57 123.80 1nwb h LYS 15 Ca -0.00 -0.26 -0.00 0.00 -2.81 0.00 0.00 60.65 57.58 1nwb h LYS 15 Cb 0.11 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.19 1nwb h LYS 15 CO 0.00 0.97 -0.02 0.00 -2.81 0.00 0.00 179.45 177.59 1nwb h ALA 16 N 1.13 -0.05 0.77 5.00 0.00 -1.42 -0.85 119.26 123.84 1nwb h ALA 16 Ca 0.22 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1nwb h ALA 16 Cb 0.37 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1nwb h ALA 16 CO 0.00 -0.23 -0.37 0.28 0.00 0.00 0.00 179.25 178.93 1nwb h VAL 17 N -0.65 0.19 -0.22 0.00 2.07 -1.30 -1.92 116.25 114.42 1nwb h VAL 17 Ca -0.01 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.48 1nwb h VAL 17 Cb 0.58 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1nwb h VAL 17 CO 0.01 0.01 0.31 1.05 0.02 0.00 0.00 177.57 178.96 1nwb h GLU 18 N -1.12 0.00 0.00 1.57 -0.00 0.17 0.99 114.58 116.19 1nwb h GLU 18 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.25 1nwb h GLU 18 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.56 1nwb h GLU 18 CO 0.17 0.00 0.00 1.49 -0.00 0.00 0.00 179.01 180.67 1nwb h GLU 19 N 0.00 0.00 0.02 1.06 4.57 -0.37 -2.74 114.58 117.12 1nwb h GLU 19 Ca 0.10 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1nwb h GLU 19 Cb 0.72 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 1nwb h GLU 19 CO -0.00 0.00 -0.01 0.82 -1.18 0.00 0.00 179.01 178.64 1nwb h ILE 20 N 0.00 0.83 -0.06 2.32 1.08 0.15 -2.94 117.51 118.89 1nwb h ILE 20 Ca 0.00 -1.58 0.02 0.00 -0.39 0.00 0.00 64.86 62.91 1nwb h ILE 20 Cb 0.68 1.56 -0.00 0.00 -3.07 0.00 0.00 36.82 35.98 1nwb h ILE 20 CO 0.00 0.28 0.14 0.07 -0.69 0.00 0.00 178.15 177.95 1nwb h LYS 21 N -0.99 0.00 0.03 2.37 2.10 -1.55 0.26 116.57 118.80 1nwb h LYS 21 Ca -0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1nwb h LYS 21 Cb 0.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.80 1nwb h LYS 21 CO 0.00 0.00 -0.02 -0.22 -2.00 0.00 0.00 179.45 177.22 1nwb h LYS 22 N 0.00 -0.04 0.00 0.07 3.64 -1.51 0.28 116.57 119.00 1nwb h LYS 22 Ca 0.03 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1nwb h LYS 22 Cb 0.32 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1nwb h LYS 22 CO -0.00 0.48 -0.22 0.28 -2.27 0.00 0.00 179.45 177.72 1nwb h VAL 23 N -0.60 0.61 0.03 2.00 2.07 -0.91 -2.36 116.25 117.08 1nwb h VAL 23 Ca -0.00 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.49 1nwb h VAL 23 Cb 0.55 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1nwb h VAL 23 CO 0.01 0.22 -0.01 0.00 0.02 0.00 0.00 177.57 177.80 1nwb h ALA 24 N 1.78 -0.03 0.00 1.67 0.00 -0.46 -3.08 119.26 119.14 1nwb h ALA 24 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1nwb h ALA 24 Cb 0.66 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1nwb h ALA 24 CO 0.03 -0.14 0.00 -0.56 0.00 0.00 0.00 179.25 178.58 1nwb h GLN 25 N -0.80 0.00 -0.03 0.00 -0.00 -0.32 0.55 115.11 114.51 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 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.19 1nwb h GLN 25 CO 0.01 0.00 0.00 0.39 -0.00 0.00 0.00 178.83 179.23 1nwb n GLU 26 N -2.44 1.69 -0.26 0.06 1.02 -0.90 -3.67 120.64 116.15 1nwb n GLU 26 Ca -0.01 -1.00 0.01 0.00 -0.02 0.00 0.00 57.16 56.13 1nwb n GLU 26 Cb 0.06 -1.47 0.01 0.00 -0.02 0.00 0.00 31.44 30.02 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 0.22 0.20 -3.86 1.62 3.02 0.17 -4.99 115.26 111.63 1nwb n ASN 27 Ca 0.19 -1.66 -0.28 0.00 -0.03 0.00 0.00 54.58 52.80 1nwb n ASN 27 Cb 0.36 -0.12 0.03 0.00 -0.61 0.00 0.00 39.78 39.43 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 -0.10 -3.62 -4.88 6.41 5.15 -0.05 -4.95 115.26 113.24 1nwb n ASN 28 Ca 0.01 -0.80 -0.37 0.00 -0.60 0.00 0.00 54.58 52.82 1nwb n ASN 28 Cb 0.60 -3.88 -0.06 0.00 -0.53 0.00 0.00 39.78 35.91 1nwb n ASN 28 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1nwb s ILE 29 N -3.43 5.44 0.00 -1.44 1.01 0.21 -4.97 121.20 118.02 1nwb s ILE 29 Ca 0.46 0.27 0.00 0.00 0.00 0.00 0.00 60.65 61.38 1nwb s ILE 29 Cb -0.23 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.79 1nwb s ILE 29 CO 0.83 0.59 0.78 1.21 0.00 0.00 0.00 174.94 178.36 1nwb n GLU 30 N 1.88 1.29 -2.94 2.79 2.13 -1.26 -4.34 120.64 120.19 1nwb n GLU 30 Ca -0.19 -1.07 -0.14 0.00 0.66 0.00 0.00 57.16 56.43 1nwb n GLU 30 Cb 0.54 -1.00 0.01 0.00 0.27 0.00 0.00 31.44 31.27 1nwb n GLU 30 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1nwb n ASN 31 N -0.28 -1.34 -4.61 4.31 2.85 -1.26 -4.92 115.26 110.01 1nwb n ASN 31 Ca 0.00 -3.19 -0.43 0.00 -0.11 0.00 0.00 54.58 50.85 1nwb n ASN 31 Cb 0.15 0.79 -0.02 0.00 1.24 0.00 0.00 39.78 41.94 1nwb n ASN 31 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1nwb s PRO 32 N -0.42 3.68 -0.71 1.20 0.04 -1.26 -4.86 135.00 132.66 1nwb s PRO 32 Ca 0.32 1.05 -0.19 0.00 0.04 0.00 0.00 61.00 62.22 1nwb s PRO 32 Cb 0.25 -3.98 0.12 0.00 0.04 0.00 0.00 34.50 30.92 1nwb s PRO 32 CO -0.14 -1.43 0.87 0.42 0.04 0.00 0.00 177.00 176.76 1nwb s ILE 33 N 5.13 4.78 -0.28 0.56 1.01 -1.25 -2.88 121.20 128.27 1nwb s ILE 33 Ca 0.60 -1.16 -0.18 0.00 0.00 0.00 0.00 60.65 59.90 1nwb s ILE 33 Cb -0.15 -4.60 -0.02 0.00 0.01 0.00 0.00 42.46 37.70 1nwb s ILE 33 CO 0.30 -1.28 0.54 -0.22 0.00 0.00 0.00 174.94 174.28 1nwb s LEU 34 N 2.70 4.11 -0.08 2.97 1.98 -0.47 -2.66 118.68 127.23 1nwb s LEU 34 Ca 0.19 0.44 -0.01 0.00 -2.89 0.00 0.00 54.13 51.87 1nwb s LEU 34 Cb -0.17 -2.69 -0.03 0.00 0.66 0.00 0.00 46.19 43.96 1nwb s LEU 34 CO 0.02 -0.35 -0.03 0.00 -1.89 0.00 0.00 176.35 174.09 1nwb s ARG 35 N 2.39 2.89 -0.44 1.98 1.70 -1.16 -1.72 118.95 124.58 1nwb s ARG 35 Ca 0.22 -0.47 -0.18 0.00 -0.47 0.00 0.00 55.73 54.83 1nwb s ARG 35 Cb -0.15 -2.70 0.03 0.00 -0.57 0.00 0.00 34.95 31.56 1nwb s ARG 35 CO 0.10 0.68 0.48 0.42 -1.08 0.00 0.00 175.30 175.90 1nwb s ILE 36 N -0.83 5.05 0.15 4.99 1.09 0.06 -4.33 121.20 127.38 1nwb s ILE 36 Ca 0.13 -0.42 0.10 0.00 -1.10 0.00 0.00 60.65 59.36 1nwb s ILE 36 Cb -0.11 -4.10 -0.04 0.00 -1.06 0.00 0.00 42.46 37.15 1nwb s ILE 36 CO 0.02 -0.51 -0.23 -0.60 -0.10 0.00 0.00 174.94 173.51 1nwb s ARG 37 N 2.21 1.37 0.71 2.79 3.00 -1.26 -3.71 118.95 124.06 1nwb s ARG 37 Ca 0.12 -1.39 -0.13 0.00 -1.00 0.00 0.00 55.73 53.34 1nwb s ARG 37 Cb -0.18 -1.68 0.03 0.00 0.00 0.00 0.00 34.95 33.12 1nwb s ARG 37 CO 0.13 0.37 1.10 0.08 0.00 0.00 0.00 175.30 176.98 1nwb s VAL 38 N -1.48 3.36 -0.25 7.11 1.01 -1.26 -3.95 120.40 124.94 1nwb s VAL 38 Ca 0.15 0.53 -0.02 0.00 0.00 0.00 0.00 61.98 62.64 1nwb s VAL 38 Cb -0.08 -3.04 0.13 0.00 0.00 0.00 0.00 36.38 33.39 1nwb s VAL 38 CO 0.07 -0.50 0.37 -0.69 0.00 0.00 0.00 175.10 174.35 1nwb s VAL 39 N -2.66 -0.58 -1.10 2.92 1.01 -1.26 -4.88 120.40 113.85 1nwb s VAL 39 Ca 0.63 -0.10 -0.18 0.00 0.00 0.00 0.00 61.98 62.33 1nwb s VAL 39 Cb -0.18 -0.82 -0.06 0.00 0.00 0.00 0.00 36.38 35.31 1nwb s VAL 39 CO 0.49 -0.15 2.08 -0.81 0.00 0.00 0.00 175.10 176.71 1nwb n PRO 40 N 5.36 2.16 -0.06 2.72 -0.04 -1.26 -3.97 135.00 139.91 1nwb n PRO 40 Ca -0.03 -2.19 -0.04 0.00 -0.04 0.00 0.00 63.50 61.20 1nwb n PRO 40 Cb 0.50 -3.08 -0.03 0.00 -0.04 0.00 0.00 33.50 30.85 1nwb n PRO 40 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1nwb h GLY 41 N 11.86 0.00 -3.32 0.55 0.00 -1.94 -3.49 103.07 106.73 1nwb h GLY 41 Ca 0.50 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.58 1nwb h GLY 41 CO 1.92 0.00 -0.71 -0.32 0.00 0.00 0.00 176.54 177.43 1nwb s GLY 42 N -3.80 0.76 0.01 4.60 0.00 -1.26 -4.86 107.32 102.77 1nwb s GLY 42 Ca -0.06 -1.26 -0.24 0.00 0.00 0.00 0.00 44.72 43.16 1nwb s GLY 42 CO 0.16 -1.36 1.37 0.00 0.00 0.00 0.00 173.10 173.27 1nwb h SER 44 N -0.28 0.21 0.00 0.00 0.87 -2.04 -3.43 113.55 108.87 1nwb h SER 44 Ca 0.01 -0.83 0.00 0.00 -1.23 0.00 0.00 61.79 59.74 1nwb h SER 44 Cb 0.44 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1nwb h SER 44 CO 0.01 1.39 0.00 0.61 -0.53 0.00 0.00 176.83 178.31 1nwb n GLY 45 N 1.63 -1.29 2.45 5.77 0.00 -1.25 -5.01 105.19 107.48 1nwb n GLY 45 Ca -0.21 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 1nwb n GLY 45 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1nwb n PHE 46 N 0.00 -4.13 -4.12 1.61 7.35 -1.10 -4.83 117.46 112.24 1nwb n PHE 46 Ca 0.00 2.44 -0.14 0.00 -0.76 0.00 0.00 57.45 58.99 1nwb n PHE 46 Cb 0.00 -3.51 -0.11 0.00 0.35 0.00 0.00 39.48 36.21 1nwb n PHE 46 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 1nwb s GLN 47 N -0.55 0.68 -0.40 -4.13 -0.21 -1.25 -4.90 119.66 108.91 1nwb s GLN 47 Ca -0.10 -0.96 -0.27 0.00 0.02 0.00 0.00 55.36 54.06 1nwb s GLN 47 Cb 0.01 -0.40 0.02 0.00 1.00 0.00 0.00 33.01 33.64 1nwb s GLN 47 CO 0.26 0.06 0.98 0.71 -2.12 0.00 0.00 175.29 175.18 1nwb s TYR 48 N -1.95 3.01 0.60 0.91 1.51 -1.26 -4.16 117.35 116.00 1nwb s TYR 48 Ca -0.02 0.73 -0.11 0.00 -1.01 0.00 0.00 57.07 56.66 1nwb s TYR 48 Cb -0.06 -3.86 -0.04 0.00 -0.11 0.00 0.00 41.96 37.89 1nwb s TYR 48 CO -0.00 -0.95 1.01 0.00 -1.11 0.00 0.00 175.55 174.49 1nwb s ALA 49 N 3.73 3.12 0.67 3.71 0.00 -1.25 -4.65 121.76 127.08 1nwb s ALA 49 Ca 0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 51.96 52.27 1nwb s ALA 49 Cb -0.11 -3.05 0.09 0.00 0.00 0.00 0.00 23.12 20.06 1nwb s ALA 49 CO 0.22 -0.61 0.93 -1.64 0.00 0.00 0.00 175.76 174.66 1nwb s MET 50 N -5.01 1.98 0.00 0.00 -1.94 -1.26 -4.28 119.30 108.79 1nwb s MET 50 Ca 0.55 -0.96 0.00 0.00 -1.71 0.00 0.00 55.69 53.57 1nwb s MET 50 Cb -0.11 -2.37 0.00 0.00 2.01 0.00 0.00 34.83 34.36 1nwb s MET 50 CO 0.51 -1.21 0.00 0.41 -0.01 0.00 0.00 175.02 174.72 1nwb n GLY 51 N -2.69 1.50 3.26 -0.03 0.00 -1.26 -5.00 105.19 100.96 1nwb n GLY 51 Ca 0.12 0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1nwb n GLY 51 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nwb s PHE 52 N -1.05 3.15 0.49 1.61 0.40 -1.26 -2.98 117.98 118.34 1nwb s PHE 52 Ca 0.00 -1.38 0.06 0.00 -0.60 0.00 0.00 56.93 55.00 1nwb s PHE 52 Cb 0.00 -2.16 0.00 0.00 0.51 0.00 0.00 43.02 41.37 1nwb s PHE 52 CO 0.00 -0.69 0.32 0.34 0.70 0.00 0.00 175.22 175.89 1nwb s ASP 53 N 1.38 4.61 -0.49 1.36 -1.08 -1.09 -4.94 116.67 116.42 1nwb s ASP 53 Ca -0.00 -1.16 0.08 0.00 -0.52 0.00 0.00 52.55 50.95 1nwb s ASP 53 Cb -0.18 0.07 0.32 0.00 -1.46 0.00 0.00 42.92 41.68 1nwb s ASP 53 CO -0.01 -0.89 0.80 -0.67 0.52 0.00 0.00 175.17 174.92 1nwb n ASP 54 N -1.57 2.60 -3.65 -0.34 -0.08 -1.26 -4.19 116.55 108.05 1nwb n ASP 54 Ca -0.02 -3.30 0.03 0.00 -1.51 0.00 0.00 54.79 49.99 1nwb n ASP 54 Cb 0.64 -0.60 0.00 0.00 2.34 0.00 0.00 41.12 43.50 1nwb n ASP 54 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1nwb s THR 55 N -3.14 0.00 0.08 5.18 -1.32 -1.26 -5.18 115.64 110.00 1nwb s THR 55 Ca 0.43 -0.08 0.03 0.00 -1.21 0.00 0.00 61.69 60.85 1nwb s THR 55 Cb 0.28 -2.21 -0.03 0.00 -1.51 0.00 0.00 72.50 69.02 1nwb s THR 55 CO -0.10 0.00 -0.08 -0.69 -2.21 0.00 0.00 174.62 171.54 1nwb s VAL 56 N -2.13 0.73 0.64 5.08 1.01 -1.26 -5.08 120.40 119.39 1nwb s VAL 56 Ca 0.18 -1.57 -0.03 0.00 0.00 0.00 0.00 61.98 60.56 1nwb s VAL 56 Cb 0.05 -1.24 0.06 0.00 0.00 0.00 0.00 36.38 35.25 1nwb s VAL 56 CO -0.05 -0.62 0.91 -1.61 0.00 0.00 0.00 175.10 173.74 1nwb s GLU 57 N -2.79 2.27 -0.12 2.72 2.02 -1.26 -4.96 118.70 116.58 1nwb s GLU 57 Ca 0.03 -0.56 0.01 0.00 0.02 0.00 0.00 54.97 54.47 1nwb s GLU 57 Cb -0.02 -2.32 0.19 0.00 0.10 0.00 0.00 34.13 32.08 1nwb s GLU 57 CO -0.02 -1.05 1.23 0.39 0.02 0.00 0.00 175.26 175.84 1nwb n GLU 58 N -2.68 1.38 0.00 1.61 1.02 -1.26 -4.09 120.64 116.62 1nwb n GLU 58 Ca 0.09 -0.83 0.00 0.00 -0.02 0.00 0.00 57.16 56.40 1nwb n GLU 58 Cb 0.60 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 1nwb n GLU 58 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nwb n GLY 59 N 0.05 -1.80 3.17 0.62 0.00 -1.26 -5.13 105.19 100.84 1nwb n GLY 59 Ca 0.16 0.66 -0.32 0.00 0.00 0.00 0.00 46.02 46.52 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 3.02 -0.54 1.61 -1.08 -1.26 -4.64 116.67 113.78 1nwb s ASP 60 Ca 0.00 -0.57 -0.27 0.00 -0.52 0.00 0.00 52.55 51.19 1nwb s ASP 60 Cb 0.00 -1.39 -0.03 0.00 -1.46 0.00 0.00 42.92 40.03 1nwb s ASP 60 CO 0.00 0.09 2.02 -1.00 0.52 0.00 0.00 175.17 176.80 1nwb s HIS 61 N 0.70 1.50 -0.20 -5.34 3.76 -1.25 -4.76 115.29 109.70 1nwb s HIS 61 Ca -0.10 0.98 -0.20 0.00 -0.15 0.00 0.00 55.06 55.59 1nwb s HIS 61 Cb -0.16 -3.95 -0.03 0.00 1.11 0.00 0.00 32.58 29.56 1nwb s HIS 61 CO 0.01 -2.49 0.60 0.54 -0.85 0.00 0.00 174.74 172.55 1nwb s VAL 62 N 9.69 5.04 -0.17 -0.90 0.11 0.27 -3.23 120.40 131.21 1nwb s VAL 62 Ca 0.78 1.12 -0.01 0.00 -2.93 0.00 0.00 61.98 60.95 1nwb s VAL 62 Cb -0.15 -3.92 -0.00 0.00 -1.53 0.00 0.00 36.38 30.78 1nwb s VAL 62 CO 0.24 0.12 -0.14 0.12 -3.33 0.00 0.00 175.10 172.12 1nwb s PHE 63 N 1.87 2.82 -0.01 1.54 5.36 0.97 -4.53 117.98 126.00 1nwb s PHE 63 Ca 0.27 -1.09 -0.30 0.00 -0.96 0.00 0.00 56.93 54.85 1nwb s PHE 63 Cb -0.16 -1.94 -0.04 0.00 -0.34 0.00 0.00 43.02 40.55 1nwb s PHE 63 CO 0.10 -0.53 1.13 -1.21 -1.46 0.00 0.00 175.22 173.26 1nwb s GLU 64 N 1.00 4.43 0.00 10.12 2.02 -1.26 -2.18 118.70 132.83 1nwb s GLU 64 Ca -0.02 1.62 0.00 0.00 0.02 0.00 0.00 54.97 56.60 1nwb s GLU 64 Cb -0.15 -3.47 0.00 0.00 0.10 0.00 0.00 34.13 30.62 1nwb s GLU 64 CO -0.03 -0.29 0.00 0.66 0.02 0.00 0.00 175.26 175.63 1nwb n TYR 65 N 4.49 -0.52 -1.03 1.61 4.01 0.18 -4.97 117.16 120.94 1nwb n TYR 65 Ca 0.09 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.42 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 -0.90 1.96 -1.37 7.72 -0.08 -1.26 -3.22 116.55 119.41 1nwb n ASP 66 Ca 0.00 -2.61 -0.09 0.00 -1.51 0.00 0.00 54.79 50.58 1nwb n ASP 66 Cb 0.00 -0.99 0.02 0.00 2.34 0.00 0.00 41.12 42.49 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 4.90 0.23 3.26 0.27 0.00 -1.26 -5.03 105.19 107.56 1nwb n GLY 67 Ca 0.48 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.82 0.06 0.01 1.61 1.01 -1.20 -4.80 120.40 114.28 1nwb s VAL 68 Ca 0.13 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1nwb s VAL 68 Cb -0.06 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1nwb s VAL 68 CO 0.16 -0.28 -0.00 -0.54 0.00 0.00 0.00 175.10 174.44 1nwb s LYS 69 N -1.81 2.75 0.03 2.72 1.02 -1.14 0.50 119.74 123.81 1nwb s LYS 69 Ca -0.10 -0.64 -0.06 0.00 0.02 0.00 0.00 55.97 55.19 1nwb s LYS 69 Cb -0.03 -2.65 -0.01 0.00 -0.52 0.00 0.00 37.83 34.62 1nwb s LYS 69 CO 0.02 0.61 0.10 0.08 -0.92 0.00 0.00 175.35 175.24 1nwb s VAL 70 N -1.12 0.12 0.11 3.17 1.01 -0.92 -1.36 120.40 121.40 1nwb s VAL 70 Ca 0.20 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 61.15 1nwb s VAL 70 Cb -0.12 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 1nwb s VAL 70 CO 0.11 -0.53 0.15 0.68 0.00 0.00 0.00 175.10 175.51 1nwb s VAL 71 N -2.22 0.13 -0.09 2.92 -7.23 -0.70 -0.02 120.40 113.19 1nwb s VAL 71 Ca -0.08 -1.46 -0.04 0.00 -1.81 0.00 0.00 61.98 58.59 1nwb s VAL 71 Cb -0.03 -1.60 0.05 0.00 0.56 0.00 0.00 36.38 35.35 1nwb s VAL 71 CO -0.03 -0.60 0.20 -0.63 -0.31 0.00 0.00 175.10 173.73 1nwb s ILE 72 N -3.93 -0.16 0.92 -0.62 1.01 -1.20 -0.76 121.20 116.46 1nwb s ILE 72 Ca 0.11 0.23 -0.15 0.00 0.00 0.00 0.00 60.65 60.84 1nwb s ILE 72 Cb 0.05 -0.33 -0.05 0.00 0.01 0.00 0.00 42.46 42.14 1nwb s ILE 72 CO -0.06 0.10 -0.03 0.47 0.00 0.00 0.00 174.94 175.41 1nwb n ASP 73 N 4.69 -3.46 0.19 3.58 9.92 -1.24 -3.93 116.55 126.30 1nwb n ASP 73 Ca -0.17 0.33 0.07 0.00 -0.53 0.00 0.00 54.79 54.49 1nwb n ASP 73 Cb 0.51 -1.03 0.29 0.00 -0.64 0.00 0.00 41.12 40.25 1nwb n ASP 73 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1nwb h PRO 74 N -1.14 0.00 0.00 -0.24 0.13 -1.97 0.42 132.00 129.21 1nwb h PRO 74 Ca -0.44 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.50 1nwb h PRO 74 Cb 1.30 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 1nwb h PRO 74 CO 0.32 0.31 -1.41 0.74 -0.23 0.00 0.00 178.00 177.72 1nwb h PHE 75 N 0.00 0.00 0.00 1.56 0.04 -1.98 -3.33 116.94 113.23 1nwb h PHE 75 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1nwb h PHE 75 Cb 0.98 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.13 1nwb h PHE 75 CO 0.00 0.67 -0.87 0.66 -0.60 0.00 0.00 178.31 178.16 1nwb h SER 76 N 0.00 0.00 -0.06 2.17 4.64 -1.88 -3.36 113.55 115.06 1nwb h SER 76 Ca -0.18 -0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.15 1nwb h SER 76 Cb 1.66 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.73 1nwb h SER 76 CO 0.06 0.01 -0.06 -0.03 -0.87 0.00 0.00 176.83 175.93 1nwb h MET 77 N 0.00 -0.08 0.00 4.77 -1.53 -1.02 -0.21 114.93 116.86 1nwb h MET 77 Ca 0.00 0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.27 1nwb h MET 77 Cb 0.99 0.02 0.00 0.00 -0.55 0.00 0.00 31.60 32.06 1nwb h MET 77 CO 0.00 -0.05 0.00 -0.35 0.14 0.00 0.00 176.91 176.65 1nwb n PRO 78 N -5.19 0.75 -0.02 0.39 -0.04 -1.26 -0.09 135.00 129.55 1nwb n PRO 78 Ca -0.05 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.37 1nwb n PRO 78 Cb 0.12 -1.45 -0.12 0.00 -0.04 0.00 0.00 33.50 32.01 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 -0.95 0.69 -2.50 0.54 4.19 -0.14 -4.41 117.16 114.58 1nwb n TYR 79 Ca 0.16 0.24 0.03 0.00 3.31 0.00 0.00 57.90 61.64 1nwb n TYR 79 Cb 0.07 -1.05 0.03 0.00 0.49 0.00 0.00 39.34 38.89 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 -2.85 0.34 -2.07 2.97 0.24 -0.88 -4.99 118.33 111.09 1nwb n VAL 80 Ca -0.16 -1.44 -0.43 0.00 -2.04 0.00 0.00 64.34 60.26 1nwb n VAL 80 Cb 0.95 0.96 -0.03 0.00 -1.47 0.00 0.00 33.84 34.26 1nwb n VAL 80 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1nwb s ASN 81 N -2.36 6.28 0.00 -1.34 2.47 0.87 -2.47 114.94 118.39 1nwb s ASN 81 Ca 0.33 1.61 0.00 0.00 0.42 0.00 0.00 52.86 55.23 1nwb s ASN 81 Cb 0.38 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.65 1nwb s ASN 81 CO -0.14 -1.34 0.00 0.61 -3.72 0.00 0.00 177.10 172.51 1nwb n GLY 82 N 4.81 2.36 2.73 1.21 0.00 0.20 -5.00 105.19 111.50 1nwb n GLY 82 Ca 0.20 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 -3.37 -3.04 4.61 0.00 -1.03 -4.33 120.51 113.35 1nwb n ALA 83 Ca 0.00 -0.98 -0.16 0.00 0.00 0.00 0.00 53.44 52.30 1nwb n ALA 83 Cb 0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 19.45 19.21 1nwb n ALA 83 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1nwb s GLU 84 N -3.97 0.39 -0.34 0.00 8.01 -1.26 -3.05 118.70 118.49 1nwb s GLU 84 Ca 0.43 -0.11 -0.06 0.00 0.01 0.00 0.00 54.97 55.24 1nwb s GLU 84 Cb -0.08 -0.42 0.04 0.00 -4.31 0.00 0.00 34.13 29.37 1nwb s GLU 84 CO 0.36 0.04 0.10 -1.17 0.01 0.00 0.00 175.26 174.59 1nwb s LEU 85 N 0.20 4.33 -0.17 1.80 2.96 -1.21 -2.37 118.68 124.22 1nwb s LEU 85 Ca -0.02 -1.19 -0.14 0.00 -0.22 0.00 0.00 54.13 52.56 1nwb s LEU 85 Cb -0.05 -1.85 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 1nwb s LEU 85 CO -0.00 -0.33 0.29 1.51 -1.32 0.00 0.00 176.35 176.49 1nwb s ASP 86 N 1.43 6.41 -0.15 3.68 1.47 0.24 -3.90 116.67 125.85 1nwb s ASP 86 Ca -0.02 0.48 -0.25 0.00 1.18 0.00 0.00 52.55 53.94 1nwb s ASP 86 Cb -0.20 -2.18 -0.02 0.00 -0.34 0.00 0.00 42.92 40.18 1nwb s ASP 86 CO 0.02 0.08 0.79 -0.47 0.68 0.00 0.00 175.17 176.28 1nwb s TYR 87 N 0.58 3.45 0.58 2.11 5.04 -1.26 -0.79 117.35 127.06 1nwb s TYR 87 Ca 0.16 1.24 -0.17 0.00 -2.44 0.00 0.00 57.07 55.85 1nwb s TYR 87 Cb -0.13 -2.96 -0.04 0.00 0.35 0.00 0.00 41.96 39.18 1nwb s TYR 87 CO 0.04 -0.17 1.09 0.08 -1.34 0.00 0.00 175.55 175.25 1nwb s VAL 88 N 1.85 3.45 -0.14 3.14 1.01 -0.69 -4.81 120.40 124.21 1nwb s VAL 88 Ca 0.38 0.77 -0.00 0.00 0.00 0.00 0.00 61.98 63.13 1nwb s VAL 88 Cb -0.17 -3.28 0.03 0.00 0.00 0.00 0.00 36.38 32.96 1nwb s VAL 88 CO 0.14 -0.32 -0.10 -0.69 0.00 0.00 0.00 175.10 174.12 1nwb s VAL 89 N -2.15 1.29 0.12 2.92 1.01 -1.26 -1.44 120.40 120.87 1nwb s VAL 89 Ca 0.68 -0.50 -0.08 0.00 0.00 0.00 0.00 61.98 62.08 1nwb s VAL 89 Cb -0.20 -1.28 0.03 0.00 0.00 0.00 0.00 36.38 34.94 1nwb s VAL 89 CO 0.33 0.37 0.41 0.47 0.00 0.00 0.00 175.10 176.67 1nwb n ASP 90 N 4.85 -0.85 0.00 3.32 8.00 -0.99 -4.93 116.55 125.96 1nwb n ASP 90 Ca -0.14 -1.51 0.00 0.00 0.71 0.00 0.00 54.79 53.84 1nwb n ASP 90 Cb 0.50 1.40 0.00 0.00 -0.02 0.00 0.00 41.12 43.00 1nwb n ASP 90 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1nwb n PHE 91 N -0.28 0.00 -0.40 1.24 7.35 -1.26 -0.58 117.46 123.53 1nwb n PHE 91 Ca -0.02 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.60 1nwb n PHE 91 Cb 0.25 0.00 0.19 0.00 0.35 0.00 0.00 39.48 40.27 1nwb n PHE 91 CO 0.00 0.00 0.00 -1.33 -0.76 0.00 0.00 176.76 174.67 1nwb n MET 92 N 10.13 2.64 0.00 -4.13 2.81 -1.26 -4.83 117.12 122.49 1nwb n MET 92 Ca 0.00 -2.06 0.00 0.00 -1.81 0.00 0.00 57.70 53.83 1nwb n MET 92 Cb 0.00 -1.89 0.00 0.00 -0.71 0.00 0.00 33.22 30.62 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 -0.15 -1.05 0.00 3.03 0.00 0.26 -5.18 105.19 102.09 1nwb n GLY 93 Ca 0.31 0.67 0.00 0.00 0.00 0.00 0.00 46.02 47.00 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 0.00 -0.71 0.00 -0.02 0.00 -1.17 -2.33 105.19 100.96 1nwb n GLY 94 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 2.66 3.24 -0.02 0.00 -0.52 -4.82 105.19 105.73 1nwb n GLY 95 Ca 0.00 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 1nwb n GLY 95 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1nwb s PHE 96 N -3.98 2.60 0.05 1.61 -0.71 -1.26 -1.70 117.98 114.59 1nwb s PHE 96 Ca 0.00 -0.99 -0.05 0.00 -1.04 0.00 0.00 56.93 54.85 1nwb s PHE 96 Cb 0.00 -1.73 -0.02 0.00 -1.21 0.00 0.00 43.02 40.06 1nwb s PHE 96 CO 0.00 -0.39 0.08 0.99 -1.34 0.00 0.00 175.22 174.56 1nwb s THR 97 N 0.34 0.15 0.01 -4.49 2.01 0.03 -4.60 115.64 109.09 1nwb s THR 97 Ca -0.18 -1.27 0.07 0.00 0.31 0.00 0.00 61.69 60.62 1nwb s THR 97 Cb -0.18 -1.09 -0.02 0.00 0.01 0.00 0.00 72.50 71.23 1nwb s THR 97 CO 0.08 -0.70 -0.22 -0.63 -0.69 0.00 0.00 174.62 172.46 1nwb s ILE 98 N -3.07 1.77 -0.37 1.82 1.09 -1.26 0.81 121.20 121.98 1nwb s ILE 98 Ca -0.01 -1.07 0.03 0.00 -1.10 0.00 0.00 60.65 58.50 1nwb s ILE 98 Cb 0.02 -1.49 0.11 0.00 -1.06 0.00 0.00 42.46 40.03 1nwb s ILE 98 CO -0.07 0.40 0.11 -0.60 -0.10 0.00 0.00 174.94 174.68 1nwb s ARG 99 N -0.79 1.36 -0.27 2.79 3.52 -1.00 -4.86 118.95 119.71 1nwb s ARG 99 Ca 0.09 -1.83 -0.24 0.00 -0.13 0.00 0.00 55.73 53.62 1nwb s ARG 99 Cb -0.09 -2.85 -0.00 0.00 -1.56 0.00 0.00 34.95 30.44 1nwb s ARG 99 CO 0.00 -1.00 0.80 -0.80 -0.81 0.00 0.00 175.30 173.49 1nwb s ASN 100 N 0.81 6.75 0.00 -2.12 -0.87 -1.26 -4.42 114.94 113.84 1nwb s ASN 100 Ca 0.12 0.88 0.24 0.00 -1.57 0.00 0.00 52.86 52.54 1nwb s ASN 100 Cb -0.20 -2.42 1.43 0.00 -0.02 0.00 0.00 41.25 40.04 1nwb s ASN 100 CO -0.10 -0.54 1.80 -0.81 -2.57 0.00 0.00 177.10 174.88