#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdj s HIS 3 N 0.00 3.61 0.14 0.00 0.09 -1.26 -5.06 115.29 112.82 2wdj s HIS 3 Ca 0.00 1.34 0.01 0.00 -0.00 0.00 0.00 55.06 56.41 2wdj s HIS 3 Cb 0.00 -2.84 0.03 0.00 -0.00 0.00 0.00 32.58 29.77 2wdj s HIS 3 CO 0.00 0.11 0.19 1.63 -0.00 0.00 0.00 174.74 176.67 2wdj n LYS 4 N 3.62 0.75 -3.78 1.40 5.02 -1.26 -5.13 118.16 118.78 2wdj n LYS 4 Ca -0.01 -0.66 -0.14 0.00 -2.02 0.00 0.00 58.31 55.48 2wdj n LYS 4 Cb 0.51 -0.09 -0.15 0.00 -0.02 0.00 0.00 35.03 35.28 2wdj n LYS 4 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2wdj s LYS 5 N -2.72 0.02 0.48 1.97 -0.14 -1.26 -5.13 119.74 112.95 2wdj s LYS 5 Ca 0.14 0.21 -0.21 0.00 -1.36 0.00 0.00 55.97 54.75 2wdj s LYS 5 Cb -0.01 -0.16 -0.11 0.00 -1.68 0.00 0.00 37.83 35.87 2wdj s LYS 5 CO 0.09 -0.13 0.61 0.41 -0.76 0.00 0.00 175.35 175.57 2wdj n GLY 6 N 3.92 -1.30 3.21 -3.33 0.00 -1.26 -5.00 105.19 101.43 2wdj n GLY 6 Ca -0.24 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 2wdj n GLY 6 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wdj s LEU 7 N 0.99 2.24 0.00 0.99 1.43 -1.26 -5.17 118.68 117.90 2wdj s LEU 7 Ca 0.66 -1.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 2wdj s LEU 7 Cb -0.53 -0.04 0.00 0.00 0.03 0.00 0.00 46.19 45.65 2wdj s LEU 7 CO 0.56 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 177.21 2wdj n GLY 8 N -0.16 3.71 0.00 -3.19 0.00 -1.26 -5.17 105.19 99.12 2wdj n GLY 8 Ca -0.09 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.14 2wdj n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2wdj n SER 9 N 0.00 0.28 -3.65 1.61 2.88 -1.26 -5.17 113.62 108.31 2wdj n SER 9 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 2wdj n SER 9 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 2wdj n SER 9 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2wdj s THR 10 N 0.93 -0.88 -0.60 2.46 2.01 -1.26 -5.00 115.64 113.29 2wdj s THR 10 Ca 0.00 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.03 2wdj s THR 10 Cb 0.00 -0.98 0.15 0.00 0.01 0.00 0.00 72.50 71.68 2wdj s THR 10 CO 0.00 0.00 0.88 0.54 -0.69 0.00 0.00 174.62 175.35 2wdj n ARG 11 N 5.34 1.57 0.00 4.92 1.74 -1.26 -4.70 116.66 124.27 2wdj n ARG 11 Ca -0.13 -0.58 0.00 0.00 -0.77 0.00 0.00 57.85 56.37 2wdj n ARG 11 Cb 0.50 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 2wdj n ARG 11 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wdj n ASN 12 N 0.14 0.00 -2.80 0.55 5.03 -1.26 -4.99 115.26 111.92 2wdj n ASN 12 Ca 0.07 0.00 -0.17 0.00 0.87 0.00 0.00 54.58 55.36 2wdj n ASN 12 Cb 0.53 0.00 0.02 0.00 -1.02 0.00 0.00 39.78 39.30 2wdj n ASN 12 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wdj n GLY 13 N 5.00 0.08 3.66 7.41 0.00 -1.26 -4.96 105.19 115.13 2wdj n GLY 13 Ca 0.00 0.49 -0.03 0.00 0.00 0.00 0.00 46.02 46.48 2wdj n GLY 13 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wdj s ARG 14 N -1.39 0.87 0.00 1.61 3.52 -1.26 -5.19 118.95 117.12 2wdj s ARG 14 Ca 0.16 -0.45 0.00 0.00 -0.13 0.00 0.00 55.73 55.32 2wdj s ARG 14 Cb -0.02 0.32 0.00 0.00 -1.56 0.00 0.00 34.95 33.69 2wdj s ARG 14 CO 0.37 -0.40 0.00 -3.47 -0.81 0.00 0.00 175.30 170.99 2wdj n ASP 15 N -0.40 0.00 -4.44 -2.12 2.03 -1.26 -5.17 116.55 105.19 2wdj n ASP 15 Ca -0.07 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.94 2wdj n ASP 15 Cb 0.61 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.88 2wdj n ASP 15 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2wdj s SER 16 N 0.00 3.72 0.27 1.67 0.01 -1.26 -5.10 113.70 113.01 2wdj s SER 16 Ca 0.00 -0.45 -0.29 0.00 1.31 0.00 0.00 55.95 56.52 2wdj s SER 16 Cb 0.00 -0.56 -0.14 0.00 0.21 0.00 0.00 66.02 65.52 2wdj s SER 16 CO 0.00 0.25 1.06 0.00 0.41 0.00 0.00 173.24 174.96 2wdj n GLN 17 N 1.56 1.37 -1.71 12.44 10.64 -1.26 -4.84 117.38 135.58 2wdj n GLN 17 Ca -0.16 0.48 -0.42 0.00 -1.83 0.00 0.00 57.00 55.07 2wdj n GLN 17 Cb 0.52 -1.89 -0.03 0.00 -0.86 0.00 0.00 30.24 27.98 2wdj n GLN 17 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2wdj s ALA 18 N -0.87 3.62 -1.43 2.61 0.00 -1.26 -4.86 121.76 119.57 2wdj s ALA 18 Ca 0.61 1.32 0.06 0.00 0.00 0.00 0.00 51.96 53.96 2wdj s ALA 18 Cb -0.72 -3.82 0.25 0.00 0.00 0.00 0.00 23.12 18.83 2wdj s ALA 18 CO 0.58 -1.48 1.07 1.63 0.00 0.00 0.00 175.76 177.57 2wdj n LYS 19 N 7.08 1.93 -2.65 0.00 4.76 -1.26 -4.97 118.16 123.05 2wdj n LYS 19 Ca 0.19 -0.99 -0.15 0.00 -2.87 0.00 0.00 58.31 54.49 2wdj n LYS 19 Cb 0.41 -1.45 0.01 0.00 -1.84 0.00 0.00 35.03 32.15 2wdj n LYS 19 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2wdj n ARG 20 N 0.23 -0.82 -1.57 1.97 3.00 -1.26 -4.96 116.66 113.26 2wdj n ARG 20 Ca 0.09 0.51 -0.11 0.00 -0.01 0.00 0.00 57.85 58.33 2wdj n ARG 20 Cb 0.38 -0.98 0.06 0.00 0.00 0.00 0.00 32.46 31.91 2wdj n ARG 20 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2wdj n LEU 21 N -0.80 0.00 0.00 0.55 4.77 -1.26 -5.01 117.00 115.25 2wdj n LEU 21 Ca -0.10 -1.02 0.00 0.00 -0.03 0.00 0.00 56.01 54.86 2wdj n LEU 21 Cb 0.33 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 2wdj n LEU 21 CO 0.28 -0.73 0.00 0.61 -1.33 0.00 0.00 177.39 176.22 2wdj n GLY 22 N 1.35 -0.07 3.60 -0.72 0.00 0.15 -4.94 105.19 104.57 2wdj n GLY 22 Ca 0.08 -2.28 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 2wdj n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdj s VAL 23 N -0.33 4.90 -0.17 1.61 1.01 -1.26 0.21 120.40 126.37 2wdj s VAL 23 Ca 0.00 0.95 0.18 0.00 0.00 0.00 0.00 61.98 63.11 2wdj s VAL 23 Cb 0.00 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 2wdj s VAL 23 CO 0.00 -0.16 1.07 0.11 0.00 0.00 0.00 175.10 176.12 2wdj h LYS 24 N 8.16 0.00 -4.83 2.72 1.79 0.17 -3.44 116.57 121.14 2wdj h LYS 24 Ca -0.26 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.57 2wdj h LYS 24 Cb 1.11 0.00 -0.36 0.00 -1.58 0.00 0.00 32.23 31.40 2wdj h LYS 24 CO 0.82 0.26 -0.84 1.03 -1.08 0.00 0.00 179.45 179.65 2wdj s ARG 25 N -3.04 2.53 0.46 3.15 1.81 -0.69 -4.97 118.95 118.19 2wdj s ARG 25 Ca -0.00 -0.79 -0.04 0.00 -1.72 0.00 0.00 55.73 53.18 2wdj s ARG 25 Cb 0.08 -2.42 -0.04 0.00 -0.45 0.00 0.00 34.95 32.13 2wdj s ARG 25 CO 0.78 -0.29 0.75 0.71 -0.68 0.00 0.00 175.30 176.57 2wdj s TYR 26 N 1.36 3.55 0.08 -0.53 4.12 -1.26 -4.88 117.35 119.79 2wdj s TYR 26 Ca 0.03 0.74 -0.32 0.00 0.02 0.00 0.00 57.07 57.54 2wdj s TYR 26 Cb -0.14 -2.24 -0.11 0.00 -1.52 0.00 0.00 41.96 37.95 2wdj s TYR 26 CO -0.11 -0.22 1.82 -1.91 0.02 0.00 0.00 175.55 175.16 2wdj n GLU 27 N -2.19 2.58 -0.78 -0.62 2.13 -1.26 -2.62 120.64 117.88 2wdj n GLU 27 Ca -0.00 0.94 0.00 0.00 0.66 0.00 0.00 57.16 58.76 2wdj n GLU 27 Cb 0.55 -2.81 0.00 0.00 0.27 0.00 0.00 31.44 29.45 2wdj n GLU 27 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wdj n GLY 28 N 4.18 1.27 3.23 8.31 0.00 0.33 -4.98 105.19 117.54 2wdj n GLY 28 Ca 0.19 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 2wdj n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wdj s GLN 29 N -1.99 2.90 -0.94 1.61 -0.21 -1.08 -4.88 119.66 115.07 2wdj s GLN 29 Ca 0.00 -0.94 -0.26 0.00 0.02 0.00 0.00 55.36 54.18 2wdj s GLN 29 Cb 0.00 -3.07 -0.15 0.00 1.00 0.00 0.00 33.01 30.78 2wdj s GLN 29 CO 0.00 -0.41 2.21 0.14 -2.12 0.00 0.00 175.29 175.12 2wdj s VAL 30 N 1.37 3.11 0.14 1.09 -7.23 -1.26 -2.43 120.40 115.19 2wdj s VAL 30 Ca 0.01 -0.14 -0.00 0.00 -1.81 0.00 0.00 61.98 60.03 2wdj s VAL 30 Cb -0.17 -3.61 -0.04 0.00 0.56 0.00 0.00 36.38 33.12 2wdj s VAL 30 CO -0.03 -0.23 0.31 0.68 -0.31 0.00 0.00 175.10 175.53 2wdj s VAL 31 N 14.75 5.28 0.61 1.32 -7.23 -0.82 -5.00 120.40 129.31 2wdj s VAL 31 Ca 0.84 -0.40 -0.00 0.00 -1.81 0.00 0.00 61.98 60.60 2wdj s VAL 31 Cb -0.08 -3.69 0.12 0.00 0.56 0.00 0.00 36.38 33.29 2wdj s VAL 31 CO 0.11 -0.03 0.84 0.54 -0.31 0.00 0.00 175.10 176.25 2wdj n ARG 32 N -0.26 -0.01 -2.77 4.82 1.74 -1.26 -2.42 116.66 116.50 2wdj n ARG 32 Ca -0.05 -2.28 -0.42 0.00 -0.77 0.00 0.00 57.85 54.33 2wdj n ARG 32 Cb 0.53 -0.56 -0.03 0.00 -1.02 0.00 0.00 32.46 31.37 2wdj n ARG 32 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wdj s ALA 33 N -3.12 3.35 0.00 7.54 0.00 -1.26 -3.53 121.76 124.74 2wdj s ALA 33 Ca 0.56 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.85 2wdj s ALA 33 Cb -0.03 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2wdj s ALA 33 CO 0.37 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 176.08 2wdj n GLY 34 N 3.11 3.26 2.56 0.00 0.00 -0.27 -4.98 105.19 108.87 2wdj n GLY 34 Ca 0.06 -0.93 -0.47 0.00 0.00 0.00 0.00 46.02 44.68 2wdj n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wdj n ASN 35 N 0.64 0.80 -4.80 1.61 4.13 -1.23 -4.15 115.26 112.26 2wdj n ASN 35 Ca 0.00 0.79 -0.36 0.00 1.68 0.00 0.00 54.58 56.69 2wdj n ASN 35 Cb 0.00 -0.61 -0.07 0.00 -1.54 0.00 0.00 39.78 37.56 2wdj n ASN 35 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2wdj s ILE 36 N 2.31 4.32 -0.11 2.41 -4.36 -1.26 -0.99 121.20 123.52 2wdj s ILE 36 Ca 0.74 1.64 0.07 0.00 -0.26 0.00 0.00 60.65 62.84 2wdj s ILE 36 Cb -1.04 -3.86 -0.12 0.00 1.25 0.00 0.00 42.46 38.69 2wdj s ILE 36 CO 0.56 -0.00 -0.00 0.18 0.24 0.00 0.00 174.94 175.91 2wdj n LEU 37 N 0.19 0.74 -3.86 0.37 4.77 0.25 -4.28 117.00 115.17 2wdj n LEU 37 Ca 0.03 -0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.88 2wdj n LEU 37 Cb 0.51 0.08 -0.13 0.00 -2.33 0.00 0.00 43.42 41.55 2wdj n LEU 37 CO 0.42 0.37 -0.28 -0.69 -1.33 0.00 0.00 177.39 175.88 2wdj s VAL 38 N -2.25 0.02 -0.14 4.08 1.01 -0.45 0.18 120.40 122.85 2wdj s VAL 38 Ca -0.08 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.76 2wdj s VAL 38 Cb 0.03 -0.15 0.02 0.00 0.00 0.00 0.00 36.38 36.29 2wdj s VAL 38 CO 0.39 -0.08 -0.14 -0.13 0.00 0.00 0.00 175.10 175.14 2wdj s ARG 39 N -0.23 2.28 -0.07 2.72 1.81 0.13 -1.21 118.95 124.38 2wdj s ARG 39 Ca -0.03 -0.56 -0.11 0.00 -1.72 0.00 0.00 55.73 53.32 2wdj s ARG 39 Cb -0.02 -2.06 0.02 0.00 -0.45 0.00 0.00 34.95 32.45 2wdj s ARG 39 CO 0.00 -0.20 0.27 1.14 -0.68 0.00 0.00 175.30 175.84 2wdj s GLN 40 N 1.37 0.43 0.03 3.54 -2.07 -1.26 -0.67 119.66 121.03 2wdj s GLN 40 Ca 0.02 0.14 -0.06 0.00 -1.82 0.00 0.00 55.36 53.65 2wdj s GLN 40 Cb -0.13 0.20 -0.02 0.00 -1.09 0.00 0.00 33.01 31.97 2wdj s GLN 40 CO -0.09 -0.09 1.10 0.00 -1.32 0.00 0.00 175.29 174.90 2wdj h ARG 41 N 5.05 -0.03 0.00 9.60 -0.00 -1.96 -3.44 114.38 123.61 2wdj h ARG 41 Ca -0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.21 2wdj h ARG 41 Cb 1.19 0.01 0.00 0.00 0.00 0.00 0.00 29.97 31.16 2wdj h ARG 41 CO 0.36 -0.02 0.00 0.41 0.00 0.00 0.00 179.97 180.72 2wdj n GLY 42 N -1.05 1.72 2.76 0.04 0.00 -1.26 -4.91 105.19 102.49 2wdj n GLY 42 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2wdj n GLY 42 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2wdj n THR 43 N 0.00 3.24 -0.15 2.61 5.66 -1.26 -4.75 114.28 119.63 2wdj n THR 43 Ca 0.00 -5.53 -0.08 0.00 -3.05 0.00 0.00 64.05 55.39 2wdj n THR 43 Cb 0.00 -1.65 0.01 0.00 -1.55 0.00 0.00 70.33 67.14 2wdj n THR 43 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 2wdj h ARG 44 N 3.55 0.62 -6.05 1.09 3.08 -1.96 -3.42 114.38 111.29 2wdj h ARG 44 Ca 0.19 -0.05 -0.54 0.00 0.07 0.00 0.00 59.98 59.65 2wdj h ARG 44 Cb 0.54 -0.13 -0.07 0.00 0.08 0.00 0.00 29.97 30.39 2wdj h ARG 44 CO 0.88 0.44 -0.48 -0.06 -1.07 0.00 0.00 179.97 179.68 2wdj s PHE 45 N -6.04 2.68 0.28 3.04 0.40 -1.26 -4.51 117.98 112.57 2wdj s PHE 45 Ca -0.13 -0.47 0.02 0.00 -0.60 0.00 0.00 56.93 55.74 2wdj s PHE 45 Cb 0.11 -1.89 -0.05 0.00 0.51 0.00 0.00 43.02 41.70 2wdj s PHE 45 CO 0.74 0.17 0.09 0.15 0.70 0.00 0.00 175.22 177.06 2wdj s LYS 46 N -3.94 1.48 0.00 0.44 1.02 -0.39 -4.99 119.74 113.35 2wdj s LYS 46 Ca 0.42 -1.81 0.00 0.00 0.02 0.00 0.00 55.97 54.60 2wdj s LYS 46 Cb -0.01 -0.40 0.00 0.00 -0.52 0.00 0.00 37.83 36.90 2wdj s LYS 46 CO 0.24 -0.27 0.00 -0.35 -0.92 0.00 0.00 175.35 174.05 2wdj n PRO 47 N -0.52 1.29 -0.17 -1.68 -0.04 -1.26 -1.08 135.00 131.53 2wdj n PRO 47 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2wdj n PRO 47 Cb 0.66 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.12 2wdj n PRO 47 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wdj n GLY 48 N 1.50 -0.60 3.54 0.55 0.00 -1.11 -2.36 105.19 106.71 2wdj n GLY 48 Ca 0.00 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 2wdj n GLY 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdj n LYS 49 N 0.00 1.08 -3.50 1.61 5.02 -1.26 -2.59 118.16 118.52 2wdj n LYS 49 Ca 0.00 0.13 -0.22 0.00 -2.02 0.00 0.00 58.31 56.20 2wdj n LYS 49 Cb 0.00 -3.04 0.05 0.00 -0.02 0.00 0.00 35.03 32.02 2wdj n LYS 49 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2wdj n ASN 50 N 13.72 -4.89 -3.47 4.39 3.02 -1.26 0.34 115.26 127.10 2wdj n ASN 50 Ca 0.40 -0.84 -0.20 0.00 -0.03 0.00 0.00 54.58 53.91 2wdj n ASN 50 Cb 0.42 -4.32 -0.12 0.00 -0.61 0.00 0.00 39.78 35.15 2wdj n ASN 50 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wdj s VAL 51 N -3.47 -0.30 0.46 2.41 1.01 -1.07 -1.29 120.40 118.16 2wdj s VAL 51 Ca 0.36 -0.41 -0.02 0.00 0.00 0.00 0.00 61.98 61.91 2wdj s VAL 51 Cb -0.09 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 2wdj s VAL 51 CO 0.80 -0.43 0.71 -0.83 0.00 0.00 0.00 175.10 175.35 2wdj s GLY 52 N 2.29 1.52 -0.19 4.51 0.00 -0.59 -3.52 107.32 111.34 2wdj s GLY 52 Ca 0.08 -0.88 -0.18 0.00 0.00 0.00 0.00 44.72 43.75 2wdj s GLY 52 CO -0.26 -0.71 0.51 -3.16 0.00 0.00 0.00 173.10 169.48 2wdj s MET 53 N -4.62 0.59 0.22 2.90 0.23 -1.26 -0.87 119.30 116.50 2wdj s MET 53 Ca 0.48 0.71 -0.13 0.00 -1.03 0.00 0.00 55.69 55.72 2wdj s MET 53 Cb -0.10 0.28 -0.00 0.00 -1.53 0.00 0.00 34.83 33.48 2wdj s MET 53 CO 0.40 -0.07 0.44 0.20 -2.03 0.00 0.00 175.02 173.96 2wdj s GLY 54 N 0.29 0.45 0.00 3.16 0.00 -1.18 -4.92 107.32 105.12 2wdj s GLY 54 Ca -0.00 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 43.92 2wdj s GLY 54 CO 0.00 -0.63 0.00 0.54 0.00 0.00 0.00 173.10 173.02 2wdj n ARG 55 N -0.34 0.00 -1.20 2.90 5.12 -1.26 -1.93 116.66 119.95 2wdj n ARG 55 Ca -0.04 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.66 2wdj n ARG 55 Cb 0.62 0.00 0.19 0.00 -1.16 0.00 0.00 32.46 32.11 2wdj n ARG 55 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2wdj n ASP 56 N 0.15 3.82 -0.93 0.55 3.85 -1.26 -4.87 116.55 117.86 2wdj n ASP 56 Ca 0.00 -3.56 -0.12 0.00 -0.71 0.00 0.00 54.79 50.40 2wdj n ASP 56 Cb 0.00 -0.83 -0.05 0.00 -1.35 0.00 0.00 41.12 38.89 2wdj n ASP 56 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 2wdj n PHE 57 N -1.05 -0.02 -2.01 2.11 3.72 -0.81 -4.54 117.46 114.86 2wdj n PHE 57 Ca 0.58 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.56 2wdj n PHE 57 Cb 1.64 -2.82 -0.03 0.00 -0.94 0.00 0.00 39.48 37.33 2wdj n PHE 57 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2wdj s THR 58 N -2.00 3.01 -0.34 4.37 2.01 -1.20 -4.59 115.64 116.91 2wdj s THR 58 Ca 0.00 0.63 -0.12 0.00 0.31 0.00 0.00 61.69 62.51 2wdj s THR 58 Cb 0.00 -3.40 -0.01 0.00 0.01 0.00 0.00 72.50 69.09 2wdj s THR 58 CO 0.00 0.03 0.22 -0.76 -0.69 0.00 0.00 174.62 173.41 2wdj s LEU 59 N 1.76 4.44 0.19 4.42 1.43 -0.35 -3.08 118.68 127.48 2wdj s LEU 59 Ca 0.69 -0.49 0.10 0.00 -1.03 0.00 0.00 54.13 53.40 2wdj s LEU 59 Cb -0.40 -2.10 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 2wdj s LEU 59 CO 0.31 -0.24 -0.20 0.72 0.23 0.00 0.00 176.35 177.17 2wdj s PHE 60 N 1.68 2.01 0.36 0.29 -0.12 -0.05 0.88 117.98 123.03 2wdj s PHE 60 Ca 0.05 -0.43 -0.26 0.00 -0.05 0.00 0.00 56.93 56.24 2wdj s PHE 60 Cb -0.17 -0.98 -0.09 0.00 -0.63 0.00 0.00 43.02 41.15 2wdj s PHE 60 CO 0.09 0.43 1.13 0.00 -0.05 0.00 0.00 175.22 176.82 2wdj s ALA 61 N -2.04 3.23 -0.42 1.99 0.00 -0.16 -1.54 121.76 122.82 2wdj s ALA 61 Ca 0.19 0.91 0.16 0.00 0.00 0.00 0.00 51.96 53.22 2wdj s ALA 61 Cb -0.06 -3.35 -0.21 0.00 0.00 0.00 0.00 23.12 19.51 2wdj s ALA 61 CO 0.08 -0.36 0.53 1.28 0.00 0.00 0.00 175.76 177.29 2wdj n LEU 62 N 0.41 0.41 -3.70 0.00 4.77 -0.41 -1.11 117.00 117.37 2wdj n LEU 62 Ca 0.03 -0.27 -0.12 0.00 -0.03 0.00 0.00 56.01 55.61 2wdj n LEU 62 Cb 0.46 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 2wdj n LEU 62 CO 0.51 0.10 0.16 0.68 -1.33 0.00 0.00 177.39 177.51 2wdj s VAL 63 N -2.77 -0.01 -0.71 4.08 -7.23 -1.26 -4.83 120.40 107.68 2wdj s VAL 63 Ca 0.01 0.03 -0.17 0.00 -1.81 0.00 0.00 61.98 60.03 2wdj s VAL 63 Cb 0.11 -0.70 -0.16 0.00 0.56 0.00 0.00 36.38 36.20 2wdj s VAL 63 CO 0.66 0.01 1.80 0.47 -0.31 0.00 0.00 175.10 177.73 2wdj n ASP 64 N 3.36 0.13 0.00 4.85 9.92 -1.26 -4.60 116.55 128.95 2wdj n ASP 64 Ca -0.17 -1.91 0.00 0.00 -0.53 0.00 0.00 54.79 52.18 2wdj n ASP 64 Cb 0.56 -1.29 0.00 0.00 -0.64 0.00 0.00 41.12 39.75 2wdj n ASP 64 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2wdj n GLY 65 N 5.65 5.42 3.23 0.44 0.00 -1.01 -4.61 105.19 114.30 2wdj n GLY 65 Ca 0.30 -1.24 -0.23 0.00 0.00 0.00 0.00 46.02 44.86 2wdj n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdj s VAL 66 N 1.69 1.47 0.04 1.61 1.01 0.15 -1.95 120.40 124.42 2wdj s VAL 66 Ca 0.00 -1.29 -0.29 0.00 0.00 0.00 0.00 61.98 60.40 2wdj s VAL 66 Cb 0.00 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 2wdj s VAL 66 CO 0.00 0.00 0.93 -0.69 0.00 0.00 0.00 175.10 175.34 2wdj s VAL 67 N -1.01 4.75 -0.06 2.92 1.01 -1.02 -1.61 120.40 125.39 2wdj s VAL 67 Ca 0.04 1.97 -0.01 0.00 0.00 0.00 0.00 61.98 63.99 2wdj s VAL 67 Cb -0.09 -4.28 0.03 0.00 0.00 0.00 0.00 36.38 32.04 2wdj s VAL 67 CO 0.03 0.24 -0.00 -1.83 0.00 0.00 0.00 175.10 173.54 2wdj s GLU 68 N 0.55 0.51 0.01 2.72 -1.05 -0.21 0.12 118.70 121.35 2wdj s GLU 68 Ca 0.48 0.09 -0.17 0.00 -0.15 0.00 0.00 54.97 55.22 2wdj s GLU 68 Cb -0.21 -0.80 -0.06 0.00 -0.44 0.00 0.00 34.13 32.61 2wdj s GLU 68 CO 0.27 -0.24 0.48 -0.06 0.95 0.00 0.00 175.26 176.67 2wdj s PHE 69 N 1.63 3.73 0.00 4.83 0.40 -1.26 -1.18 117.98 126.12 2wdj s PHE 69 Ca -0.01 1.10 0.02 0.00 -0.60 0.00 0.00 56.93 57.44 2wdj s PHE 69 Cb -0.13 -2.41 -0.01 0.00 0.51 0.00 0.00 43.02 40.99 2wdj s PHE 69 CO -0.03 0.56 -0.05 -1.14 0.70 0.00 0.00 175.22 175.25 2wdj s GLN 70 N -0.86 0.40 -0.24 0.44 -0.44 0.11 -5.00 119.66 114.07 2wdj s GLN 70 Ca 0.26 -0.25 -0.06 0.00 -2.50 0.00 0.00 55.36 52.82 2wdj s GLN 70 Cb -0.18 -0.36 -0.02 0.00 -1.64 0.00 0.00 33.01 30.82 2wdj s GLN 70 CO 0.15 0.09 0.02 0.34 0.50 0.00 0.00 175.29 176.39 2wdj s ASP 71 N -0.31 4.74 -0.30 6.67 2.15 -1.26 0.30 116.67 128.65 2wdj s ASP 71 Ca 0.00 -0.29 0.11 0.00 0.43 0.00 0.00 52.55 52.79 2wdj s ASP 71 Cb -0.03 -1.84 0.67 0.00 -0.30 0.00 0.00 42.92 41.43 2wdj s ASP 71 CO -0.00 -0.03 1.70 0.54 -0.17 0.00 0.00 175.17 177.21 2wdj n ARG 72 N 4.86 3.23 0.00 4.34 5.12 0.11 -5.01 116.66 129.32 2wdj n ARG 72 Ca -0.17 -3.06 0.00 0.00 -1.93 0.00 0.00 57.85 52.68 2wdj n ARG 72 Cb 0.51 -2.10 0.00 0.00 -1.16 0.00 0.00 32.46 29.72 2wdj n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wdj n GLY 73 N -0.42 3.09 0.00 -0.13 0.00 -1.21 -0.19 105.19 106.32 2wdj n GLY 73 Ca 0.38 0.19 0.02 0.00 0.00 0.00 0.00 46.02 46.60 2wdj n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdj n ARG 74 N 14.00 0.40 -0.04 1.61 5.12 -1.26 -0.95 116.66 135.54 2wdj n ARG 74 Ca 0.00 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.93 2wdj n ARG 74 Cb 0.00 -1.13 -0.13 0.00 -1.16 0.00 0.00 32.46 30.04 2wdj n ARG 74 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2wdj n LEU 75 N -0.63 0.00 0.00 0.55 0.00 0.73 -5.11 117.00 112.54 2wdj n LEU 75 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.03 2wdj n LEU 75 Cb 0.01 0.18 0.00 0.00 0.00 0.00 0.00 43.42 43.61 2wdj n LEU 75 CO 0.02 0.18 0.00 0.61 0.00 0.00 0.00 177.39 178.20 2wdj n GLY 76 N 1.74 1.04 3.55 -3.96 0.00 -0.13 -4.95 105.19 102.49 2wdj n GLY 76 Ca -0.14 -2.17 -0.34 0.00 0.00 0.00 0.00 46.02 43.38 2wdj n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdj s ARG 77 N -1.05 2.99 0.12 1.61 0.52 -1.26 0.05 118.95 121.92 2wdj s ARG 77 Ca 0.00 -0.55 0.06 0.00 -0.52 0.00 0.00 55.73 54.72 2wdj s ARG 77 Cb 0.00 -2.66 -0.04 0.00 0.52 0.00 0.00 34.95 32.77 2wdj s ARG 77 CO 0.00 0.55 -0.14 0.71 0.02 0.00 0.00 175.30 176.44 2wdj s TYR 78 N -0.50 1.39 -0.09 -0.53 1.51 0.15 -1.27 117.35 118.01 2wdj s TYR 78 Ca 0.07 -0.56 0.00 0.00 -1.01 0.00 0.00 57.07 55.58 2wdj s TYR 78 Cb -0.12 -0.73 0.02 0.00 -0.11 0.00 0.00 41.96 41.03 2wdj s TYR 78 CO 0.02 0.14 -0.07 0.08 -1.11 0.00 0.00 175.55 174.61 2wdj s VAL 79 N -2.14 0.89 0.43 0.71 1.01 -0.24 0.06 120.40 121.12 2wdj s VAL 79 Ca 0.09 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.86 2wdj s VAL 79 Cb -0.05 -0.91 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 2wdj s VAL 79 CO 0.03 0.33 0.06 -1.00 0.00 0.00 0.00 175.10 174.52 2wdj s HIS 80 N 1.45 1.93 -0.30 5.22 0.09 -0.33 -2.74 115.29 120.60 2wdj s HIS 80 Ca -0.01 -1.05 -0.03 0.00 -0.00 0.00 0.00 55.06 53.97 2wdj s HIS 80 Cb -0.13 -1.42 0.10 0.00 -0.00 0.00 0.00 32.58 31.13 2wdj s HIS 80 CO -0.04 0.03 0.13 0.08 -0.00 0.00 0.00 174.74 174.93 2wdj s VAL 81 N -3.04 0.07 -0.02 -0.90 1.01 0.15 -1.05 120.40 116.62 2wdj s VAL 81 Ca 0.20 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 2wdj s VAL 81 Cb 0.04 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.31 2wdj s VAL 81 CO 0.11 -0.74 1.04 0.00 0.00 0.00 0.00 175.10 175.52 2wdj s ARG 82 N 1.98 4.48 0.00 2.72 1.70 -0.63 -4.50 118.95 124.70 2wdj s ARG 82 Ca 0.10 1.49 0.00 0.00 -0.47 0.00 0.00 55.73 56.85 2wdj s ARG 82 Cb -0.17 -3.47 0.00 0.00 -0.57 0.00 0.00 34.95 30.74 2wdj s ARG 82 CO -0.34 -0.19 0.00 -0.35 -1.08 0.00 0.00 175.30 173.34 2wdj n PRO 83 N 4.33 2.64 -3.63 3.89 -0.04 -1.26 -0.67 135.00 140.26 2wdj n PRO 83 Ca 0.08 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.41 2wdj n PRO 83 Cb 0.49 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.88 2wdj n PRO 83 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2wdj s LEU 84 N 0.00 -0.76 0.00 1.53 0.05 -1.26 -4.18 118.68 114.06 2wdj s LEU 84 Ca 0.00 1.42 0.07 0.00 0.05 0.00 0.00 54.13 55.67 2wdj s LEU 84 Cb 0.00 2.42 0.43 0.00 -2.05 0.00 0.00 46.19 46.99 2wdj s LEU 84 CO 0.00 -0.24 0.89 0.00 -0.55 0.00 0.00 176.35 176.44