#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdj n LYS 3 N 0.00 0.00 -1.71 0.54 4.81 -1.26 -4.77 118.16 115.77 2wdj n LYS 3 Ca 0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.05 2wdj n LYS 3 Cb 0.00 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.09 2wdj n LYS 3 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 2wdj n MET 4 N 0.54 1.53 -3.62 1.64 2.81 -1.26 -5.00 117.12 113.76 2wdj n MET 4 Ca 0.00 0.56 -0.37 0.00 -1.81 0.00 0.00 57.70 56.08 2wdj n MET 4 Cb 0.00 -2.46 -0.06 0.00 -0.71 0.00 0.00 33.22 29.98 2wdj n MET 4 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2wdj s LYS 5 N -2.79 3.83 -0.09 0.03 1.02 -1.26 -4.82 119.74 115.65 2wdj s LYS 5 Ca 0.72 0.19 -0.30 0.00 0.02 0.00 0.00 55.97 56.60 2wdj s LYS 5 Cb -0.43 -3.25 -0.03 0.00 -0.52 0.00 0.00 37.83 33.60 2wdj s LYS 5 CO 0.49 0.64 1.29 0.95 -0.92 0.00 0.00 175.35 177.80 2wdj s THR 6 N -0.78 4.12 -0.60 2.17 -4.23 -1.26 -4.89 115.64 110.17 2wdj s THR 6 Ca 0.20 1.42 -0.26 0.00 -1.18 0.00 0.00 61.69 61.87 2wdj s THR 6 Cb -0.15 -3.91 -0.10 0.00 1.34 0.00 0.00 72.50 69.68 2wdj s THR 6 CO 0.09 -0.06 2.42 1.57 -0.54 0.00 0.00 174.62 178.10 2wdj n HIS 7 N 5.91 1.33 0.28 3.99 -0.00 -1.07 -4.78 115.22 120.88 2wdj n HIS 7 Ca 0.13 0.08 0.14 0.00 0.46 0.00 0.00 57.72 58.52 2wdj n HIS 7 Cb 0.45 -2.62 0.84 0.00 -0.12 0.00 0.00 29.99 28.54 2wdj n HIS 7 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 2wdj h LYS 8 N 17.32 0.00 -0.10 1.57 6.56 -1.92 -2.02 116.57 137.98 2wdj h LYS 8 Ca -0.16 0.00 -0.09 0.00 -1.06 0.00 0.00 60.65 59.34 2wdj h LYS 8 Cb 1.18 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.83 2wdj h LYS 8 CO 1.12 0.04 -0.35 0.78 -2.06 0.00 0.00 179.45 178.97 2wdj h GLY 9 N 0.22 0.22 0.09 3.86 0.00 -2.00 -2.86 103.07 102.60 2wdj h GLY 9 Ca -0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 2wdj h GLY 9 CO 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 176.54 176.68 2wdj h ALA 10 N 1.46 -0.11 -1.00 3.60 0.00 -1.77 -3.33 119.26 118.12 2wdj h ALA 10 Ca 0.02 -0.08 0.40 0.00 0.00 0.00 0.00 54.91 55.25 2wdj h ALA 10 Cb 0.71 0.04 -0.18 0.00 0.00 0.00 0.00 17.79 18.37 2wdj h ALA 10 CO 0.05 -0.11 0.52 -0.22 0.00 0.00 0.00 179.25 179.50 2wdj h LYS 11 N -1.02 0.05 0.00 0.00 3.64 -1.55 0.81 116.57 118.50 2wdj h LYS 11 Ca -0.01 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2wdj h LYS 11 Cb 0.20 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2wdj h LYS 11 CO 0.02 0.03 0.00 1.63 -2.27 0.00 0.00 179.45 178.86 2wdj n LYS 12 N -5.24 0.03 -1.31 1.90 5.02 -1.08 -3.74 118.16 113.75 2wdj n LYS 12 Ca 0.36 0.28 0.02 0.00 -2.02 0.00 0.00 58.31 56.95 2wdj n LYS 12 Cb 1.22 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.73 2wdj n LYS 12 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2wdj n ARG 13 N -1.46 0.00 -3.61 1.97 1.85 0.28 -5.09 116.66 110.60 2wdj n ARG 13 Ca 0.03 -1.71 -0.03 0.00 -1.00 0.00 0.00 57.85 55.15 2wdj n ARG 13 Cb 0.13 0.03 -0.06 0.00 -1.05 0.00 0.00 32.46 31.51 2wdj n ARG 13 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2wdj s VAL 14 N 0.00 -0.13 -0.03 8.89 0.11 -1.07 -4.62 120.40 123.56 2wdj s VAL 14 Ca 0.25 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.29 2wdj s VAL 14 Cb 0.28 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 2wdj s VAL 14 CO -0.12 0.00 0.03 -0.75 -3.33 0.00 0.00 175.10 170.93 2wdj s LYS 15 N 1.65 2.94 -0.09 1.54 2.20 -0.12 -4.66 119.74 123.19 2wdj s LYS 15 Ca -0.08 -0.51 -0.05 0.00 -0.36 0.00 0.00 55.97 54.97 2wdj s LYS 15 Cb -0.05 -2.77 -0.04 0.00 -1.51 0.00 0.00 37.83 33.46 2wdj s LYS 15 CO -0.17 0.66 0.12 -1.50 -0.36 0.00 0.00 175.35 174.10 2wdj s ILE 16 N -1.06 5.21 0.00 5.43 2.07 -1.26 0.37 121.20 131.95 2wdj s ILE 16 Ca 0.19 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.44 2wdj s ILE 16 Cb -0.12 -3.29 0.00 0.00 0.13 0.00 0.00 42.46 39.18 2wdj s ILE 16 CO 0.09 0.55 0.00 0.35 -1.91 0.00 0.00 174.94 174.02 2wdj n THR 17 N 1.78 0.00 -0.02 4.00 -2.24 0.20 -4.95 114.28 113.05 2wdj n THR 17 Ca -0.18 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.43 2wdj n THR 17 Cb 0.54 -1.19 -0.07 0.00 -2.10 0.00 0.00 70.33 67.52 2wdj n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wdj h ALA 18 N -0.37 0.32 0.00 6.98 0.00 -1.99 -3.03 119.26 121.18 2wdj h ALA 18 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2wdj h ALA 18 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2wdj h ALA 18 CO 0.00 0.69 0.00 0.43 0.00 0.00 0.00 179.25 180.37 2wdj n SER 19 N -3.93 0.00 0.00 0.00 7.64 -1.26 -4.82 113.62 111.24 2wdj n SER 19 Ca -0.07 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2wdj n SER 19 Cb 0.74 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 2wdj n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wdj n GLY 20 N 0.40 0.75 3.85 0.23 0.00 -1.14 -5.06 105.19 104.22 2wdj n GLY 20 Ca 0.07 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 2wdj n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdj s LYS 21 N -0.78 3.94 -0.19 1.61 1.02 -1.26 -4.78 119.74 119.31 2wdj s LYS 21 Ca 0.00 0.67 -0.05 0.00 0.02 0.00 0.00 55.97 56.60 2wdj s LYS 21 Cb 0.00 -2.37 -0.03 0.00 -0.52 0.00 0.00 37.83 34.91 2wdj s LYS 21 CO 0.00 0.04 0.00 0.08 -0.92 0.00 0.00 175.35 174.55 2wdj s VAL 22 N -2.18 4.10 -0.09 3.17 1.01 -1.26 0.60 120.40 125.74 2wdj s VAL 22 Ca 0.54 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.29 2wdj s VAL 22 Cb -0.10 -2.84 -0.00 0.00 0.00 0.00 0.00 36.38 33.44 2wdj s VAL 22 CO 0.23 0.45 -0.24 -0.69 0.00 0.00 0.00 175.10 174.84 2wdj s VAL 23 N 0.73 2.06 0.30 2.92 1.01 0.16 -3.77 120.40 123.81 2wdj s VAL 23 Ca 0.00 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 60.99 2wdj s VAL 23 Cb -0.14 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 2wdj s VAL 23 CO 0.02 0.56 0.15 0.00 0.00 0.00 0.00 175.10 175.83 2wdj s ALA 24 N 0.27 1.99 1.15 5.51 0.00 -1.09 -0.95 121.76 128.65 2wdj s ALA 24 Ca -0.17 -1.75 -0.17 0.00 0.00 0.00 0.00 51.96 49.87 2wdj s ALA 24 Cb -0.17 1.10 0.25 0.00 0.00 0.00 0.00 23.12 24.30 2wdj s ALA 24 CO 0.08 -0.49 1.04 -1.33 0.00 0.00 0.00 175.76 175.07 2wdj n MET 25 N -0.59 -2.34 -3.81 0.00 2.81 -1.26 -2.36 117.12 109.57 2wdj n MET 25 Ca 0.00 -1.65 -0.36 0.00 -1.81 0.00 0.00 57.70 53.89 2wdj n MET 25 Cb 0.65 -1.38 -0.11 0.00 -0.71 0.00 0.00 33.22 31.67 2wdj n MET 25 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2wdj s LYS 26 N -5.33 3.80 0.38 0.03 -0.14 -1.18 -4.78 119.74 112.52 2wdj s LYS 26 Ca 0.64 -0.41 -0.25 0.00 -1.36 0.00 0.00 55.97 54.59 2wdj s LYS 26 Cb -0.05 -3.35 -0.09 0.00 -1.68 0.00 0.00 37.83 32.67 2wdj s LYS 26 CO 0.48 -0.05 1.07 0.95 -0.76 0.00 0.00 175.35 177.05 2wdj s THR 27 N 1.26 3.60 0.00 2.17 -4.23 -1.26 -4.44 115.64 112.74 2wdj s THR 27 Ca 0.05 1.31 0.00 0.00 -1.18 0.00 0.00 61.69 61.87 2wdj s THR 27 Cb -0.14 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 69.98 2wdj s THR 27 CO 0.04 0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.81 2wdj n GLY 28 N 0.54 0.29 0.97 3.99 0.00 -1.26 -5.05 105.19 104.67 2wdj n GLY 28 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.07 2wdj n GLY 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wdj n LYS 29 N 0.00 0.00 0.15 1.61 2.85 -1.26 -4.51 118.16 117.00 2wdj n LYS 29 Ca 0.00 -1.30 0.12 0.00 -1.05 0.00 0.00 58.31 56.09 2wdj n LYS 29 Cb 0.00 -0.12 0.21 0.00 -0.65 0.00 0.00 35.03 34.47 2wdj n LYS 29 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wdj h ARG 30 N 0.41 0.00 0.00 -1.58 2.47 -1.96 -3.42 114.38 110.29 2wdj h ARG 30 Ca -0.16 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 2wdj h ARG 30 Cb 1.56 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.88 2wdj h ARG 30 CO 0.01 0.00 0.00 -2.39 0.56 0.00 0.00 179.97 178.15 2wdj n HIS 31 N -2.69 0.00 -0.24 3.04 1.44 -1.26 -4.93 115.22 110.58 2wdj n HIS 31 Ca 0.04 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.76 2wdj n HIS 31 Cb 0.50 0.03 0.13 0.00 0.12 0.00 0.00 29.99 30.76 2wdj n HIS 31 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 2wdj h LEU 32 N 0.00 0.41 -7.43 2.39 -0.00 -1.82 -3.43 115.31 105.44 2wdj h LEU 32 Ca 0.00 0.06 -0.50 0.00 -0.00 0.00 0.00 57.88 57.44 2wdj h LEU 32 Cb 0.26 -0.00 0.14 0.00 -0.00 0.00 0.00 40.66 41.06 2wdj h LEU 32 CO 0.00 0.24 -0.88 0.59 -0.00 0.00 0.00 178.44 178.39 2wdj n ASN 33 N -4.89 -2.74 0.00 -0.43 5.03 -1.26 -4.70 115.26 106.27 2wdj n ASN 33 Ca 0.10 0.60 0.00 0.00 0.87 0.00 0.00 54.58 56.15 2wdj n ASN 33 Cb 0.27 -0.71 0.00 0.00 -1.02 0.00 0.00 39.78 38.32 2wdj n ASN 33 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.26 177.30 2wdj n TRP 34 N -1.07 0.00 -2.96 3.10 -0.00 -1.26 -5.03 117.44 110.22 2wdj n TRP 34 Ca 0.08 0.00 0.04 0.00 -0.00 0.00 0.00 57.50 57.62 2wdj n TRP 34 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.68 2wdj n TRP 34 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 177.69 176.55 2wdj s GLN 35 N 0.00 0.06 0.00 5.87 0.74 -1.26 -5.15 119.66 119.92 2wdj s GLN 35 Ca 0.00 0.02 -0.00 0.00 0.05 0.00 0.00 55.36 55.43 2wdj s GLN 35 Cb 0.00 0.02 -0.01 0.00 1.10 0.00 0.00 33.01 34.12 2wdj s GLN 35 CO 0.00 -0.10 -0.00 0.15 -0.55 0.00 0.00 175.29 174.79 2wdj s LYS 36 N 2.57 0.10 0.76 1.67 1.02 -1.26 -5.14 119.74 119.47 2wdj s LYS 36 Ca 0.25 -0.17 -0.16 0.00 0.02 0.00 0.00 55.97 55.90 2wdj s LYS 36 Cb 0.02 0.04 -0.03 0.00 -0.52 0.00 0.00 37.83 37.34 2wdj s LYS 36 CO -0.20 -0.02 0.49 -1.13 -0.92 0.00 0.00 175.35 173.57 2wdj n SER 37 N 2.62 -1.42 -0.11 2.83 3.41 -1.26 -4.73 113.62 114.97 2wdj n SER 37 Ca -0.16 0.55 0.17 0.00 -0.26 0.00 0.00 58.87 59.17 2wdj n SER 37 Cb 0.58 -1.21 0.56 0.00 -0.26 0.00 0.00 64.21 63.89 2wdj n SER 37 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2wdj h GLY 38 N -0.55 0.48 0.66 5.00 0.00 -2.00 0.28 103.07 106.95 2wdj h GLY 38 Ca -0.45 -0.12 0.12 0.00 0.00 0.00 0.00 47.33 46.87 2wdj h GLY 38 CO 0.41 0.04 0.56 1.70 0.00 0.00 0.00 176.54 179.25 2wdj h LYS 39 N 0.29 0.72 0.00 4.80 3.64 -1.98 0.74 116.57 124.78 2wdj h LYS 39 Ca 0.33 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 2wdj h LYS 39 Cb 0.90 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2wdj h LYS 39 CO -0.08 0.48 0.00 0.39 -2.27 0.00 0.00 179.45 177.97 2wdj n GLU 40 N -4.54 0.00 -0.28 1.90 -0.58 0.99 -1.67 120.64 116.46 2wdj n GLU 40 Ca 0.16 0.02 -0.03 0.00 -0.42 0.00 0.00 57.16 56.88 2wdj n GLU 40 Cb 0.39 -0.87 0.02 0.00 -0.57 0.00 0.00 31.44 30.41 2wdj n GLU 40 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2wdj h ILE 41 N 0.00 0.09 -0.35 -3.67 2.04 -1.56 -0.43 117.51 113.64 2wdj h ILE 41 Ca 0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 2wdj h ILE 41 Cb 0.00 0.09 -0.08 0.00 -0.74 0.00 0.00 36.82 36.09 2wdj h ILE 41 CO 0.00 0.00 -0.26 -0.09 0.00 0.00 0.00 178.15 177.80 2wdj h ARG 42 N -0.09 -0.21 -2.49 2.37 2.43 -0.98 -2.84 114.38 112.56 2wdj h ARG 42 Ca 0.28 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.40 2wdj h ARG 42 Cb 0.57 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 2wdj h ARG 42 CO -0.82 -0.14 0.11 1.04 -1.51 0.00 0.00 179.97 178.66 2wdj n GLN 43 N -5.40 0.74 -3.34 0.20 6.02 -0.17 -4.35 117.38 111.08 2wdj n GLN 43 Ca 0.01 -0.34 -0.26 0.00 -0.01 0.00 0.00 57.00 56.40 2wdj n GLN 43 Cb 0.31 -1.63 -0.08 0.00 1.02 0.00 0.00 30.24 29.86 2wdj n GLN 43 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2wdj n LYS 44 N 2.62 1.61 0.00 -1.09 4.01 -1.07 -5.00 118.16 119.24 2wdj n LYS 44 Ca 0.14 -3.97 0.00 0.00 -0.51 0.00 0.00 58.31 53.97 2wdj n LYS 44 Cb 0.34 -1.78 0.00 0.00 -0.51 0.00 0.00 35.03 33.08 2wdj n LYS 44 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2wdj n GLY 45 N 1.23 2.47 0.00 0.72 0.00 -1.26 -4.79 105.19 103.56 2wdj n GLY 45 Ca 0.26 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.49 2wdj n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdj n ARG 46 N 0.00 3.49 0.00 1.61 1.74 -1.26 -3.13 116.66 119.11 2wdj n ARG 46 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2wdj n ARG 46 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2wdj n ARG 46 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2wdj n LYS 47 N 0.00 0.00 -1.59 5.56 2.85 -0.99 -4.64 118.16 119.35 2wdj n LYS 47 Ca 0.00 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.09 2wdj n LYS 47 Cb 0.00 0.00 0.10 0.00 -0.65 0.00 0.00 35.03 34.48 2wdj n LYS 47 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2wdj n PHE 48 N -0.99 -3.50 -3.59 5.58 0.99 -1.26 -2.66 117.46 112.02 2wdj n PHE 48 Ca 0.00 -0.97 -0.10 0.00 -0.00 0.00 0.00 57.45 56.38 2wdj n PHE 48 Cb 0.00 -0.56 -0.06 0.00 -1.00 0.00 0.00 39.48 37.87 2wdj n PHE 48 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.76 176.90 2wdj s VAL 49 N -2.34 0.00 0.06 -4.37 -7.23 -1.25 -4.81 120.40 100.46 2wdj s VAL 49 Ca 0.45 0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.65 2wdj s VAL 49 Cb -0.02 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.89 2wdj s VAL 49 CO 0.31 0.00 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.80 2wdj s LEU 50 N -0.68 2.34 0.00 1.32 2.96 -1.26 -4.64 118.68 118.72 2wdj s LEU 50 Ca -0.00 -0.70 0.00 0.00 -0.22 0.00 0.00 54.13 53.20 2wdj s LEU 50 Cb -0.02 -0.15 0.00 0.00 0.50 0.00 0.00 46.19 46.52 2wdj s LEU 50 CO -0.01 -0.28 0.00 0.00 -1.32 0.00 0.00 176.35 174.74 2wdj n ALA 51 N 0.95 0.00 -0.27 5.97 0.00 -1.26 -4.26 120.51 121.65 2wdj n ALA 51 Ca -0.19 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.22 2wdj n ALA 51 Cb 0.57 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.16 2wdj n ALA 51 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wdj h LYS 52 N 0.00 1.11 0.00 0.00 6.56 -2.01 -2.62 116.57 119.61 2wdj h LYS 52 Ca 0.00 -0.14 -0.07 0.00 -1.06 0.00 0.00 60.65 59.38 2wdj h LYS 52 Cb 0.00 -0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 31.44 2wdj h LYS 52 CO 0.00 0.83 -0.35 -1.00 -2.06 0.00 0.00 179.45 176.87 2wdj h PRO 53 N 1.11 0.00 0.00 3.15 0.13 -1.82 -0.37 132.00 134.20 2wdj h PRO 53 Ca 0.28 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.41 2wdj h PRO 53 Cb 0.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.19 2wdj h PRO 53 CO -0.04 0.35 -0.00 0.93 -0.23 0.00 0.00 178.00 179.01 2wdj h GLU 54 N 0.00 0.00 0.01 0.86 5.08 -1.79 -0.05 114.58 118.68 2wdj h GLU 54 Ca -0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.02 2wdj h GLU 54 Cb 0.95 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.15 2wdj h GLU 54 CO 0.05 0.00 -1.83 0.00 -1.00 0.00 0.00 179.01 176.23 2wdj n ALA 55 N -2.10 0.97 -0.34 3.43 0.00 -0.90 -3.71 120.51 117.85 2wdj n ALA 55 Ca -0.03 -0.74 0.12 0.00 0.00 0.00 0.00 53.44 52.79 2wdj n ALA 55 Cb 0.10 -0.30 0.25 0.00 0.00 0.00 0.00 19.45 19.51 2wdj n ALA 55 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2wdj h GLU 56 N -0.90 0.02 -0.52 0.00 4.57 -0.18 0.67 114.58 118.25 2wdj h GLU 56 Ca -0.49 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.65 2wdj h GLU 56 Cb 1.49 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.05 2wdj h GLU 56 CO -0.27 0.01 0.20 0.00 -1.18 0.00 0.00 179.01 177.77 2wdj h ARG 57 N 0.02 0.78 0.00 1.92 3.08 -1.22 -1.97 114.38 116.98 2wdj h ARG 57 Ca 0.56 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.47 2wdj h ARG 57 Cb 1.11 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.03 2wdj h ARG 57 CO -0.92 0.69 0.28 0.82 -1.07 0.00 0.00 179.97 179.77 2wdj h ILE 58 N 0.70 0.00 0.00 2.04 1.08 0.28 -0.47 117.51 121.14 2wdj h ILE 58 Ca 0.17 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.63 2wdj h ILE 58 Cb 0.21 0.41 -0.00 0.00 -3.07 0.00 0.00 36.82 34.36 2wdj h ILE 58 CO -0.01 0.00 -1.48 0.29 -0.69 0.00 0.00 178.15 176.25 2wdj n LYS 59 N -2.29 0.63 -2.88 2.37 5.02 -0.74 -4.17 118.16 116.09 2wdj n LYS 59 Ca -0.01 -0.02 -0.39 0.00 -2.02 0.00 0.00 58.31 55.87 2wdj n LYS 59 Cb 0.31 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 2wdj n LYS 59 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2wdj n LEU 60 N -2.51 6.41 0.00 -0.35 4.77 -0.18 -2.60 117.00 122.54 2wdj n LEU 60 Ca -0.03 -5.36 0.00 0.00 -0.03 0.00 0.00 56.01 50.59 2wdj n LEU 60 Cb 0.58 -1.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 2wdj n LEU 60 CO 0.43 1.94 0.17 0.00 -1.33 0.00 0.00 177.39 178.60 2wdj n LEU 61 N 0.54 1.01 0.14 2.23 -0.00 -1.25 -4.04 117.00 115.64 2wdj n LEU 61 Ca 0.36 0.41 0.05 0.00 -0.00 0.00 0.00 56.01 56.83 2wdj n LEU 61 Cb 0.31 -0.14 0.51 0.00 -0.00 0.00 0.00 43.42 44.10 2wdj n LEU 61 CO 0.58 -0.14 1.05 -0.07 -0.00 0.00 0.00 177.39 178.80 2wdj h LEU 62 N 0.00 0.20-10.13 1.47 3.38 -1.88 -3.42 115.31 104.93 2wdj h LEU 62 Ca 0.00 -0.01 -0.51 0.00 0.09 0.00 0.00 57.88 57.45 2wdj h LEU 62 Cb 0.00 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 2wdj h LEU 62 CO 0.00 0.20 -0.08 -2.16 0.09 0.00 0.00 178.44 176.50 2wdj s PRO 63 N -5.10 3.66 0.73 1.13 0.04 -1.26 -4.93 135.00 129.28 2wdj s PRO 63 Ca -0.06 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.08 2wdj s PRO 63 Cb 0.17 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 32.13 2wdj s PRO 63 CO 0.70 0.14 0.00 0.66 0.04 0.00 0.00 177.00 178.54 2wdj n TYR 64 N -1.10 -1.90 0.00 0.56 4.02 -1.26 -4.74 117.16 112.74 2wdj n TYR 64 Ca -0.01 0.27 0.00 0.00 -0.01 0.00 0.00 57.90 58.15 2wdj n TYR 64 Cb 0.54 -0.40 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 2wdj n TYR 64 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94