#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdj h ASN 2 N 0.00 0.00 -2.07 6.12 2.35 -2.04 -2.77 115.58 117.16 2wdj h ASN 2 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 2wdj h ASN 2 Cb 0.00 0.00 -0.35 0.00 0.05 0.00 0.00 38.32 38.02 2wdj h ASN 2 CO 0.00 0.00 -0.94 0.54 -1.65 0.00 0.00 177.43 175.38 2wdj n ARG 3 N -3.63 0.34 0.22 0.81 5.12 -1.26 -4.92 116.66 113.34 2wdj n ARG 3 Ca 0.16 -3.01 0.04 0.00 -1.93 0.00 0.00 57.85 53.11 2wdj n ARG 3 Cb 1.04 -1.55 0.24 0.00 -1.16 0.00 0.00 32.46 31.03 2wdj n ARG 3 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 2wdj h GLY 4 N 5.18 0.00 0.00 -0.13 0.00 -1.94 -0.03 103.07 106.16 2wdj h GLY 4 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2wdj h GLY 4 CO 0.35 0.00 -0.23 0.00 0.00 0.00 0.00 176.54 176.66 2wdj h ALA 5 N 0.59 0.00 -0.79 3.60 0.00 -1.91 -3.31 119.26 117.43 2wdj h ALA 5 Ca 0.00 -0.35 0.23 0.00 0.00 0.00 0.00 54.91 54.79 2wdj h ALA 5 Cb 1.18 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 2wdj h ALA 5 CO 0.00 0.23 0.76 1.25 0.00 0.00 0.00 179.25 181.49 2wdj h LEU 6 N -0.49 0.00 0.66 0.00 6.46 -1.50 0.29 115.31 120.73 2wdj h LEU 6 Ca 0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 2wdj h LEU 6 Cb 0.23 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 40.17 2wdj h LEU 6 CO 0.00 0.00 -0.32 0.40 -0.62 0.00 0.00 178.44 177.90 2wdj h ILE 7 N 0.00 0.00 -0.61 4.05 1.08 -1.24 -2.42 117.51 118.37 2wdj h ILE 7 Ca 0.38 -0.09 0.13 0.00 -0.39 0.00 0.00 64.86 64.88 2wdj h ILE 7 Cb 1.90 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 35.54 2wdj h ILE 7 CO -0.00 0.00 -0.08 0.11 -0.69 0.00 0.00 178.15 177.49 2wdj h LYS 8 N -0.99 0.05 -0.78 2.37 1.57 -0.56 0.74 116.57 118.98 2wdj h LYS 8 Ca -0.09 -0.00 0.22 0.00 -1.87 0.00 0.00 60.65 58.91 2wdj h LYS 8 Cb 0.68 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 2wdj h LYS 8 CO 0.15 0.03 0.75 -0.07 -0.57 0.00 0.00 179.45 179.74 2wdj h LEU 9 N 0.05 0.00 0.17 2.94 3.38 -1.15 0.70 115.31 121.39 2wdj h LEU 9 Ca 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.27 2wdj h LEU 9 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2wdj h LEU 9 CO -0.58 0.00 -0.08 0.58 0.09 0.00 0.00 178.44 178.45 2wdj h VAL 10 N 0.00 0.88 0.00 1.22 2.07 0.10 -3.13 116.25 117.39 2wdj h VAL 10 Ca 0.37 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2wdj h VAL 10 Cb 1.87 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 2wdj h VAL 10 CO -0.00 0.22 0.45 -0.33 0.02 0.00 0.00 177.57 177.93 2wdj h GLU 11 N -0.82 0.00 -3.09 1.57 3.07 -0.74 -3.23 114.58 111.33 2wdj h GLU 11 Ca -0.02 0.00 -0.45 0.00 -0.50 0.00 0.00 59.36 58.39 2wdj h GLU 11 Cb 0.53 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.45 2wdj h GLU 11 CO 0.04 0.00 2.63 0.43 -1.40 0.00 0.00 179.01 180.71 2wdj n SER 12 N -2.58 6.19 -0.94 1.42 7.64 -1.12 -4.54 113.62 119.68 2wdj n SER 12 Ca -0.01 -2.40 0.05 0.00 1.01 0.00 0.00 58.87 57.51 2wdj n SER 12 Cb 0.48 -1.26 0.18 0.00 -1.01 0.00 0.00 64.21 62.60 2wdj n SER 12 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2wdj n ARG 13 N 3.73 2.41 -2.13 1.43 3.00 -1.22 -3.82 116.66 120.06 2wdj n ARG 13 Ca 0.55 -1.44 -0.29 0.00 -0.00 0.00 0.00 57.85 56.67 2wdj n ARG 13 Cb 0.25 -1.60 0.02 0.00 0.00 0.00 0.00 32.46 31.14 2wdj n ARG 13 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 2wdj n TYR 14 N 0.43 3.14 -4.38 -0.14 4.02 -1.26 -5.01 117.16 113.96 2wdj n TYR 14 Ca 0.13 -2.72 -0.34 0.00 -0.01 0.00 0.00 57.90 54.96 2wdj n TYR 14 Cb 0.52 -0.50 -0.13 0.00 -0.02 0.00 0.00 39.34 39.22 2wdj n TYR 14 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2wdj s VAL 15 N -5.12 3.68 0.00 -0.72 0.11 -1.25 -4.80 120.40 112.30 2wdj s VAL 15 Ca 0.51 -0.43 0.00 0.00 -2.93 0.00 0.00 61.98 59.14 2wdj s VAL 15 Cb 0.42 -2.61 0.00 0.00 -1.53 0.00 0.00 36.38 32.66 2wdj s VAL 15 CO -0.15 0.48 0.00 0.54 -3.33 0.00 0.00 175.10 172.65 2wdj n ARG 16 N 3.77 0.91 0.00 1.54 5.12 -1.26 -5.01 116.66 121.74 2wdj n ARG 16 Ca -0.18 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.74 2wdj n ARG 16 Cb 0.52 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.82 2wdj n ARG 16 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 2wdj n THR 17 N -0.24 0.00 0.13 0.55 5.66 -1.26 -5.01 114.28 114.11 2wdj n THR 17 Ca 0.00 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.01 2wdj n THR 17 Cb 0.00 0.00 0.35 0.00 -1.55 0.00 0.00 70.33 69.13 2wdj n THR 17 CO 0.00 0.00 0.00 -2.24 -3.05 0.00 0.00 175.07 169.78 2wdj h ASP 18 N 0.00 0.19 -3.91 1.09 2.03 -1.99 -3.45 116.42 110.37 2wdj h ASP 18 Ca 0.00 -0.05 -0.51 0.00 -0.73 0.00 0.00 57.03 55.74 2wdj h ASP 18 Cb 0.00 -0.05 0.05 0.00 -0.83 0.00 0.00 39.33 38.50 2wdj h ASP 18 CO 0.00 0.43 0.55 -0.76 -1.03 0.00 0.00 179.24 178.43 2wdj s LEU 19 N -8.55 4.30 0.46 0.15 1.02 -1.26 -4.98 118.68 109.82 2wdj s LEU 19 Ca -0.05 2.47 -0.24 0.00 0.02 0.00 0.00 54.13 56.33 2wdj s LEU 19 Cb 0.15 -3.86 -0.09 0.00 0.02 0.00 0.00 46.19 42.41 2wdj s LEU 19 CO 0.74 -0.59 1.17 -2.65 0.02 0.00 0.00 176.35 175.04 2wdj n PRO 20 N 0.42 1.61 -3.21 1.29 -0.02 -1.26 -4.97 135.00 128.85 2wdj n PRO 20 Ca 0.02 0.58 -0.39 0.00 -2.02 0.00 0.00 63.50 61.70 2wdj n PRO 20 Cb 0.45 -2.29 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 2wdj n PRO 20 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2wdj s GLU 21 N -2.32 4.33 0.28 -0.52 2.12 -1.26 -5.03 118.70 116.29 2wdj s GLU 21 Ca 0.65 0.69 -0.03 0.00 0.36 0.00 0.00 54.97 56.64 2wdj s GLU 21 Cb -0.50 -3.37 -0.02 0.00 0.26 0.00 0.00 34.13 30.50 2wdj s GLU 21 CO 0.55 0.29 0.34 -0.59 -0.54 0.00 0.00 175.26 175.32 2wdj s PHE 22 N 0.10 1.03 0.16 5.30 -0.12 -1.26 -5.17 117.98 118.02 2wdj s PHE 22 Ca 0.31 -1.24 -0.15 0.00 -0.05 0.00 0.00 56.93 55.80 2wdj s PHE 22 Cb -0.17 -0.25 0.02 0.00 -0.63 0.00 0.00 43.02 41.98 2wdj s PHE 22 CO 0.16 -0.92 0.42 -0.98 -0.05 0.00 0.00 175.22 173.85 2wdj s ARG 23 N -3.66 1.20 0.00 1.99 1.70 -1.26 -5.02 118.95 113.90 2wdj s ARG 23 Ca 0.33 -0.87 0.00 0.00 -0.47 0.00 0.00 55.73 54.72 2wdj s ARG 23 Cb 0.02 0.47 0.00 0.00 -0.57 0.00 0.00 34.95 34.87 2wdj s ARG 23 CO 0.16 -0.48 0.00 -2.30 -1.08 0.00 0.00 175.30 171.60 2wdj n PRO 24 N -0.26 0.00 0.00 3.89 -0.02 -1.26 -4.06 135.00 133.29 2wdj n PRO 24 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 2wdj n PRO 24 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.11 2wdj n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdj n GLY 25 N 0.00 1.65 2.99 -1.23 0.00 -1.26 -4.70 105.19 102.64 2wdj n GLY 25 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdj n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wdj s ASP 26 N -1.00 -1.21 0.00 1.61 3.68 -1.20 -3.90 116.67 114.64 2wdj s ASP 26 Ca 0.00 -0.86 0.00 0.00 2.13 0.00 0.00 52.55 53.82 2wdj s ASP 26 Cb 0.00 1.56 0.00 0.00 -1.45 0.00 0.00 42.92 43.03 2wdj s ASP 26 CO 0.00 -0.11 0.00 1.07 0.13 0.00 0.00 175.17 176.26 2wdj n THR 27 N 3.83 0.00 0.00 1.71 5.66 -1.25 -2.97 114.28 121.26 2wdj n THR 27 Ca 0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 2wdj n THR 27 Cb 0.58 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.36 2wdj n THR 27 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2wdj n VAL 28 N 0.00 0.00 0.00 1.08 0.31 -1.24 -1.99 118.33 116.49 2wdj n VAL 28 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2wdj n VAL 28 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2wdj n VAL 28 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wdj n ARG 29 N 0.00 0.00 0.00 5.55 3.00 -0.81 -4.22 116.66 120.18 2wdj n ARG 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2wdj n ARG 29 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2wdj n ARG 29 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2wdj n VAL 30 N -0.42 0.00 0.00 5.15 0.24 -1.26 -4.50 118.33 117.54 2wdj n VAL 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2wdj n VAL 30 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2wdj n VAL 30 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2wdj n SER 31 N 0.00 0.00 0.10 -1.34 3.41 0.83 -4.59 113.62 112.03 2wdj n SER 31 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2wdj n SER 31 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2wdj n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wdj n TYR 32 N 0.00 -3.16 -1.68 7.33 -0.00 -1.26 -3.89 117.16 114.50 2wdj n TYR 32 Ca 0.00 0.66 0.00 0.00 -0.00 0.00 0.00 57.90 58.56 2wdj n TYR 32 Cb 0.00 1.88 0.00 0.00 -0.00 0.00 0.00 39.34 41.22 2wdj n TYR 32 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 2wdj n LYS 33 N -2.83 -4.07 -4.93 -3.48 4.76 -1.26 -3.10 118.16 103.26 2wdj n LYS 33 Ca 0.00 3.00 -0.32 0.00 -2.87 0.00 0.00 58.31 58.12 2wdj n LYS 33 Cb 0.00 -3.46 -0.17 0.00 -1.84 0.00 0.00 35.03 29.56 2wdj n LYS 33 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2wdj s VAL 34 N -2.90 2.14 -1.83 -0.18 1.01 -1.25 -3.94 120.40 113.45 2wdj s VAL 34 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.01 2wdj s VAL 34 Cb 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.54 2wdj s VAL 34 CO 0.00 0.55 0.00 2.29 0.00 0.00 0.00 175.10 177.94 2wdj n LYS 35 N 3.79 -0.62 -0.76 2.72 2.85 -1.25 -4.92 118.16 119.96 2wdj n LYS 35 Ca -0.19 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.07 2wdj n LYS 35 Cb 0.52 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.90 2wdj n LYS 35 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2wdj n GLU 36 N 0.00 -1.41 0.00 -1.58 2.13 -1.26 0.25 120.64 118.77 2wdj n GLU 36 Ca 0.00 0.31 0.00 0.00 0.66 0.00 0.00 57.16 58.13 2wdj n GLU 36 Cb 0.00 -4.56 0.00 0.00 0.27 0.00 0.00 31.44 27.15 2wdj n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wdj n GLY 37 N 0.13 2.97 3.08 8.31 0.00 -1.26 -4.93 105.19 113.49 2wdj n GLY 37 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2wdj n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdj s ASN 38 N -0.74 5.01 0.00 1.61 4.22 0.14 -5.04 114.94 120.15 2wdj s ASN 38 Ca 0.00 -2.01 0.00 0.00 -2.14 0.00 0.00 52.86 48.71 2wdj s ASN 38 Cb 0.00 -1.73 0.00 0.00 1.28 0.00 0.00 41.25 40.80 2wdj s ASN 38 CO 0.00 -0.45 0.18 0.54 -2.04 0.00 0.00 177.10 175.33 2wdj n ARG 39 N 4.45 0.00 -0.33 3.55 1.74 -1.23 -4.10 116.66 120.74 2wdj n ARG 39 Ca -0.01 0.18 -0.13 0.00 -0.77 0.00 0.00 57.85 57.12 2wdj n ARG 39 Cb 0.42 -0.33 -0.02 0.00 -1.02 0.00 0.00 32.46 31.51 2wdj n ARG 39 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2wdj n THR 40 N -0.91 0.00 0.00 0.55 -2.24 -1.25 -3.80 114.28 106.63 2wdj n THR 40 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2wdj n THR 40 Cb 0.00 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 2wdj n THR 40 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2wdj n ARG 41 N 0.47 0.00 -1.78 -0.78 0.00 -1.18 -4.86 116.66 108.53 2wdj n ARG 41 Ca 0.05 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.52 2wdj n ARG 41 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.44 2wdj n ARG 41 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 2wdj s ILE 42 N 0.00 3.18 0.18 5.15 -5.25 -1.23 -4.00 121.20 119.23 2wdj s ILE 42 Ca 0.00 0.12 -0.07 0.00 -0.99 0.00 0.00 60.65 59.72 2wdj s ILE 42 Cb 0.00 -3.40 -0.06 0.00 2.95 0.00 0.00 42.46 41.95 2wdj s ILE 42 CO 0.00 -0.36 0.45 -1.58 -1.79 0.00 0.00 174.94 171.65 2wdj s GLN 43 N 7.38 3.69 0.21 0.37 0.74 -1.26 -4.85 119.66 125.94 2wdj s GLN 43 Ca 0.86 0.06 0.05 0.00 0.05 0.00 0.00 55.36 56.37 2wdj s GLN 43 Cb -0.18 -2.77 -0.03 0.00 1.10 0.00 0.00 33.01 31.13 2wdj s GLN 43 CO 0.26 0.41 0.29 -0.51 -0.55 0.00 0.00 175.29 175.19 2wdj s ASP 44 N -2.39 6.12 -0.34 6.67 1.11 -1.26 -0.12 116.67 126.46 2wdj s ASP 44 Ca 0.43 0.03 0.01 0.00 0.18 0.00 0.00 52.55 53.20 2wdj s ASP 44 Cb -0.12 -1.76 0.14 0.00 1.07 0.00 0.00 42.92 42.25 2wdj s ASP 44 CO 0.23 -0.01 0.29 0.12 1.18 0.00 0.00 175.17 176.97 2wdj s PHE 45 N -1.91 0.00 0.02 4.23 5.36 -1.26 -4.86 117.98 119.57 2wdj s PHE 45 Ca 0.34 -0.90 -0.27 0.00 -0.96 0.00 0.00 56.93 55.14 2wdj s PHE 45 Cb -0.10 -0.61 -0.05 0.00 -0.34 0.00 0.00 43.02 41.93 2wdj s PHE 45 CO 0.28 -0.91 0.84 -2.00 -1.46 0.00 0.00 175.22 171.97 2wdj s GLU 46 N 1.62 4.53 -0.20 10.12 2.12 -1.26 -1.92 118.70 133.72 2wdj s GLU 46 Ca 0.15 1.18 -0.36 0.00 0.36 0.00 0.00 54.97 56.29 2wdj s GLU 46 Cb -0.17 -3.41 0.15 0.00 0.26 0.00 0.00 34.13 30.97 2wdj s GLU 46 CO -0.13 0.14 1.42 0.20 -0.54 0.00 0.00 175.26 176.35 2wdj s GLY 47 N 0.41 -0.34 0.19 -1.50 0.00 -1.26 -4.66 107.32 100.15 2wdj s GLY 47 Ca 0.43 1.48 -0.30 0.00 0.00 0.00 0.00 44.72 46.33 2wdj s GLY 47 CO 0.24 0.42 1.04 -0.42 0.00 0.00 0.00 173.10 174.39 2wdj s ILE 48 N -2.01 3.99 -0.56 0.90 1.09 -0.83 -3.65 121.20 120.13 2wdj s ILE 48 Ca 0.13 1.78 -0.24 0.00 -1.10 0.00 0.00 60.65 61.22 2wdj s ILE 48 Cb 0.03 -4.13 0.04 0.00 -1.06 0.00 0.00 42.46 37.34 2wdj s ILE 48 CO -0.04 0.33 0.94 0.54 -0.10 0.00 0.00 174.94 176.61 2wdj s VAL 49 N -0.46 4.39 0.08 2.92 0.11 -1.25 -0.36 120.40 125.82 2wdj s VAL 49 Ca 0.47 0.20 -0.02 0.00 -2.93 0.00 0.00 61.98 59.70 2wdj s VAL 49 Cb -0.28 -4.55 -0.27 0.00 -1.53 0.00 0.00 36.38 29.75 2wdj s VAL 49 CO 0.34 -1.14 1.14 0.40 -3.33 0.00 0.00 175.10 172.51 2wdj h ILE 50 N 6.01 1.51 -2.10 7.04 5.03 -1.51 -3.38 117.51 130.11 2wdj h ILE 50 Ca -0.26 -3.11 0.02 0.00 -0.12 0.00 0.00 64.86 61.39 2wdj h ILE 50 Cb 1.07 2.91 -0.22 0.00 -3.03 0.00 0.00 36.82 37.56 2wdj h ILE 50 CO 1.09 0.90 -0.09 -0.60 -0.68 0.00 0.00 178.15 178.77 2wdj s ARG 51 N -2.66 0.61 -0.23 2.37 3.00 -1.20 -2.74 118.95 118.09 2wdj s ARG 51 Ca -0.03 1.25 -0.03 0.00 -1.00 0.00 0.00 55.73 55.91 2wdj s ARG 51 Cb 0.08 0.38 0.00 0.00 0.00 0.00 0.00 34.95 35.41 2wdj s ARG 51 CO 0.87 -0.17 -0.06 0.42 0.00 0.00 0.00 175.30 176.36 2wdj s ILE 52 N 2.10 3.14 -0.29 4.11 1.01 -1.26 -0.09 121.20 129.93 2wdj s ILE 52 Ca -0.08 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 59.92 2wdj s ILE 52 Cb -0.08 -2.47 0.07 0.00 0.01 0.00 0.00 42.46 39.99 2wdj s ILE 52 CO -0.18 0.37 -0.05 -0.60 0.00 0.00 0.00 174.94 174.47 2wdj s ARG 53 N 1.42 2.13 0.50 2.79 3.00 0.15 -4.98 118.95 123.97 2wdj s ARG 53 Ca 0.04 -1.44 -0.19 0.00 -1.00 0.00 0.00 55.73 53.14 2wdj s ARG 53 Cb -0.15 -3.02 -0.08 0.00 0.00 0.00 0.00 34.95 31.70 2wdj s ARG 53 CO -0.04 -0.66 1.01 1.03 0.00 0.00 0.00 175.30 176.64 2wdj s ARG 54 N 1.09 3.81 -0.01 5.12 0.52 -1.26 -1.68 118.95 126.54 2wdj s ARG 54 Ca -0.04 1.20 0.00 0.00 -0.52 0.00 0.00 55.73 56.37 2wdj s ARG 54 Cb -0.20 -2.11 0.01 0.00 0.52 0.00 0.00 34.95 33.17 2wdj s ARG 54 CO -0.05 -0.40 0.35 -1.71 0.02 0.00 0.00 175.30 173.51 2wdj n ASN 55 N -1.26 -0.04 0.00 0.23 5.15 -1.26 -4.92 115.26 113.16 2wdj n ASN 55 Ca 0.08 -0.69 0.00 0.00 -0.60 0.00 0.00 54.58 53.37 2wdj n ASN 55 Cb 0.53 0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.80 2wdj n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2wdj n GLY 56 N -0.03 0.28 3.96 8.20 0.00 -1.26 -4.40 105.19 111.93 2wdj n GLY 56 Ca -0.01 0.70 -0.25 0.00 0.00 0.00 0.00 46.02 46.47 2wdj n GLY 56 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2wdj s PHE 57 N 0.00 2.32 0.00 1.61 5.99 -1.26 -4.09 117.98 122.55 2wdj s PHE 57 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 56.93 57.07 2wdj s PHE 57 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 43.02 39.82 2wdj s PHE 57 CO 0.00 -1.59 0.00 0.27 -0.00 0.00 0.00 175.22 173.90 2wdj n ASN 58 N -2.93 -0.44 -4.74 6.13 0.23 -1.26 -4.85 115.26 107.41 2wdj n ASN 58 Ca 0.11 0.22 -0.41 0.00 -0.53 0.00 0.00 54.58 53.97 2wdj n ASN 58 Cb 0.60 -0.58 -0.05 0.00 -2.08 0.00 0.00 39.78 37.67 2wdj n ASN 58 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 2wdj s THR 59 N -1.16 4.51 0.49 5.53 -4.23 -1.26 -4.83 115.64 114.69 2wdj s THR 59 Ca 0.00 1.96 0.06 0.00 -1.18 0.00 0.00 61.69 62.53 2wdj s THR 59 Cb 0.00 -4.27 -0.00 0.00 1.34 0.00 0.00 72.50 69.57 2wdj s THR 59 CO 0.00 0.35 0.27 0.42 -0.54 0.00 0.00 174.62 175.13 2wdj s THR 60 N -0.17 1.86 -0.05 3.99 -4.23 -0.68 -4.16 115.64 112.20 2wdj s THR 60 Ca 0.44 -1.62 -0.21 0.00 -1.18 0.00 0.00 61.69 59.13 2wdj s THR 60 Cb -0.23 -2.47 0.04 0.00 1.34 0.00 0.00 72.50 71.18 2wdj s THR 60 CO 0.28 0.00 0.46 0.72 -0.54 0.00 0.00 174.62 175.55 2wdj s PHE 61 N -2.71 -0.40 0.08 3.99 -0.00 -0.53 0.30 117.98 118.71 2wdj s PHE 61 Ca 0.33 0.72 0.08 0.00 -0.00 0.00 0.00 56.93 58.06 2wdj s PHE 61 Cb 0.00 0.22 -0.04 0.00 -0.00 0.00 0.00 43.02 43.20 2wdj s PHE 61 CO 0.19 -0.44 -0.20 0.95 -0.00 0.00 0.00 175.22 175.72 2wdj s THR 62 N -1.03 2.67 -0.05 -4.49 -4.23 0.88 -0.81 115.64 108.58 2wdj s THR 62 Ca -0.11 -1.38 0.06 0.00 -1.18 0.00 0.00 61.69 59.08 2wdj s THR 62 Cb -0.03 -2.16 -0.01 0.00 1.34 0.00 0.00 72.50 71.64 2wdj s THR 62 CO 0.06 0.23 -0.24 -0.69 -0.54 0.00 0.00 174.62 173.44 2wdj s VAL 63 N -1.00 1.94 -0.19 2.29 1.01 -0.31 -1.27 120.40 122.88 2wdj s VAL 63 Ca 0.15 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 2wdj s VAL 63 Cb -0.10 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 2wdj s VAL 63 CO 0.07 0.54 -0.02 -0.60 0.00 0.00 0.00 175.10 175.09 2wdj s ARG 64 N -0.17 3.59 0.19 2.72 6.06 0.51 -1.41 118.95 130.44 2wdj s ARG 64 Ca -0.02 -0.54 0.01 0.00 -2.50 0.00 0.00 55.73 52.68 2wdj s ARG 64 Cb -0.13 -3.00 -0.05 0.00 0.06 0.00 0.00 34.95 31.83 2wdj s ARG 64 CO 0.03 0.07 0.03 0.21 -2.50 0.00 0.00 175.30 173.13 2wdj s LYS 65 N 0.83 1.16 -0.70 5.12 2.47 0.16 -1.97 119.74 126.81 2wdj s LYS 65 Ca -0.00 -1.58 0.05 0.00 -1.56 0.00 0.00 55.97 52.88 2wdj s LYS 65 Cb -0.14 -0.21 0.17 0.00 -1.46 0.00 0.00 37.83 36.18 2wdj s LYS 65 CO 0.02 -0.18 0.50 0.28 0.16 0.00 0.00 175.35 176.13 2wdj n VAL 66 N -0.28 1.64 -2.07 4.02 0.31 -1.26 0.29 118.33 120.99 2wdj n VAL 66 Ca -0.05 -4.87 -0.37 0.00 -0.01 0.00 0.00 64.34 59.04 2wdj n VAL 66 Cb 0.64 -2.18 -0.03 0.00 -0.91 0.00 0.00 33.84 31.36 2wdj n VAL 66 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2wdj s SER 67 N -1.49 5.30 1.65 4.52 0.15 -0.22 -4.73 113.70 118.88 2wdj s SER 67 Ca 0.25 0.18 0.00 0.00 0.70 0.00 0.00 55.95 57.09 2wdj s SER 67 Cb -0.04 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 2wdj s SER 67 CO -0.17 -2.39 0.00 -1.22 1.20 0.00 0.00 173.24 170.66 2wdj n TYR 68 N 12.72 0.00 0.08 3.44 0.53 -1.26 -2.90 117.16 129.77 2wdj n TYR 68 Ca 0.22 0.00 -0.22 0.00 -1.02 0.00 0.00 57.90 56.88 2wdj n TYR 68 Cb 0.51 0.00 -0.12 0.00 -1.03 0.00 0.00 39.34 38.70 2wdj n TYR 68 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 2wdj h GLY 69 N 0.00 0.71 -1.45 2.72 0.00 -2.03 -3.47 103.07 99.56 2wdj h GLY 69 Ca 0.00 -1.43 -0.45 0.00 0.00 0.00 0.00 47.33 45.44 2wdj h GLY 69 CO 0.00 1.26 0.11 0.14 0.00 0.00 0.00 176.54 178.05 2wdj s VAL 70 N -3.05 2.36 0.08 4.60 1.01 -1.14 -5.09 120.40 119.17 2wdj s VAL 70 Ca -0.10 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.46 2wdj s VAL 70 Cb 0.06 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 2wdj s VAL 70 CO 0.93 0.00 -0.12 -0.83 0.00 0.00 0.00 175.10 175.08 2wdj s GLY 71 N -4.57 1.74 0.03 4.51 0.00 -1.26 -1.06 107.32 106.71 2wdj s GLY 71 Ca 0.62 -1.22 0.02 0.00 0.00 0.00 0.00 44.72 44.14 2wdj s GLY 71 CO 0.43 -1.16 -0.06 0.14 0.00 0.00 0.00 173.10 172.44 2wdj s VAL 72 N -1.12 0.44 -0.11 1.40 1.01 0.85 -4.83 120.40 118.03 2wdj s VAL 72 Ca 0.19 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.34 2wdj s VAL 72 Cb -0.11 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.80 2wdj s VAL 72 CO 0.11 -0.29 -0.16 -1.61 0.00 0.00 0.00 175.10 173.15 2wdj s GLU 73 N -1.23 2.31 -0.09 2.72 2.02 -1.26 0.38 118.70 123.56 2wdj s GLU 73 Ca -0.08 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.32 2wdj s GLU 73 Cb -0.08 -1.93 -0.03 0.00 0.10 0.00 0.00 34.13 32.19 2wdj s GLU 73 CO 0.00 -0.04 -0.08 1.03 0.02 0.00 0.00 175.26 176.19 2wdj s ARG 74 N 0.93 2.92 -0.23 1.61 1.81 -0.50 -4.93 118.95 120.57 2wdj s ARG 74 Ca -0.08 -0.57 -0.03 0.00 -1.72 0.00 0.00 55.73 53.33 2wdj s ARG 74 Cb -0.15 -2.62 0.00 0.00 -0.45 0.00 0.00 34.95 31.73 2wdj s ARG 74 CO -0.01 0.55 -0.05 0.42 -0.68 0.00 0.00 175.30 175.54 2wdj s ILE 75 N -0.52 3.21 -0.11 1.52 1.01 -1.26 -1.16 121.20 123.89 2wdj s ILE 75 Ca 0.08 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.06 2wdj s ILE 75 Cb -0.12 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 2wdj s ILE 75 CO 0.02 0.35 -0.11 -0.36 0.00 0.00 0.00 174.94 174.84 2wdj s PHE 76 N 1.43 2.83 -0.35 3.97 2.99 0.01 -4.96 117.98 123.91 2wdj s PHE 76 Ca 0.04 -0.43 0.24 0.00 0.00 0.00 0.00 56.93 56.78 2wdj s PHE 76 Cb -0.15 -1.80 1.08 0.00 0.00 0.00 0.00 43.02 42.15 2wdj s PHE 76 CO -0.04 -0.05 1.72 -2.30 -0.00 0.00 0.00 175.22 174.55 2wdj n PRO 77 N 3.15 0.19 -0.99 0.24 -0.02 -1.26 -1.45 135.00 134.85 2wdj n PRO 77 Ca -0.18 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2wdj n PRO 77 Cb 0.53 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 2wdj n PRO 77 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2wdj n LEU 78 N -2.29 0.03 -3.79 2.45 0.00 -1.26 -4.04 117.00 108.10 2wdj n LEU 78 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.89 2wdj n LEU 78 Cb 0.17 -0.15 -0.14 0.00 0.00 0.00 0.00 43.42 43.30 2wdj n LEU 78 CO 0.17 -0.02 -0.26 -1.00 0.00 0.00 0.00 177.39 176.28 2wdj s HIS 79 N -3.54 -0.11 0.00 1.96 3.76 -1.26 -4.79 115.29 111.31 2wdj s HIS 79 Ca 0.00 0.34 0.00 0.00 -0.15 0.00 0.00 55.06 55.25 2wdj s HIS 79 Cb 0.00 -0.05 0.00 0.00 1.11 0.00 0.00 32.58 33.64 2wdj s HIS 79 CO 0.00 -0.10 0.00 0.45 -0.85 0.00 0.00 174.74 174.24 2wdj n SER 80 N 3.67 0.00 -4.24 1.40 2.88 -1.26 -4.90 113.62 111.17 2wdj n SER 80 Ca -0.20 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.25 2wdj n SER 80 Cb 0.55 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.93 2wdj n SER 80 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2wdj n PRO 81 N 5.25 0.05 -2.53 -1.46 -0.02 -1.26 -4.22 135.00 130.81 2wdj n PRO 81 Ca 0.00 -0.27 -0.03 0.00 -2.02 0.00 0.00 63.50 61.18 2wdj n PRO 81 Cb 0.00 -1.54 0.10 0.00 -0.02 0.00 0.00 33.50 32.04 2wdj n PRO 81 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wdj n LEU 82 N 7.62 -1.36 0.00 2.45 4.32 -1.25 -4.50 117.00 124.28 2wdj n LEU 82 Ca 0.26 -2.91 0.00 0.00 -0.02 0.00 0.00 56.01 53.35 2wdj n LEU 82 Cb 0.40 0.23 0.00 0.00 -1.62 0.00 0.00 43.42 42.43 2wdj n LEU 82 CO 0.67 1.63 0.00 2.30 -1.22 0.00 0.00 177.39 180.78 2wdj n ILE 83 N -1.09 0.00 -3.82 -0.08 -5.35 -1.26 -4.32 119.36 103.44 2wdj n ILE 83 Ca -0.13 0.00 -0.07 0.00 -0.27 0.00 0.00 62.75 62.28 2wdj n ILE 83 Cb 0.81 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.71 2wdj n ILE 83 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wdj n GLN 84 N -1.45 1.46 -2.07 6.28 10.64 -1.26 -5.04 117.38 125.93 2wdj n GLN 84 Ca 0.00 -0.85 -0.01 0.00 -1.83 0.00 0.00 57.00 54.31 2wdj n GLN 84 Cb 0.00 0.15 0.05 0.00 -0.86 0.00 0.00 30.24 29.58 2wdj n GLN 84 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2wdj n LYS 85 N -0.61 0.55 -0.81 2.61 5.02 -1.26 -4.57 118.16 119.09 2wdj n LYS 85 Ca -0.02 -0.57 -0.33 0.00 -2.02 0.00 0.00 58.31 55.37 2wdj n LYS 85 Cb 0.15 0.15 0.13 0.00 -0.02 0.00 0.00 35.03 35.44 2wdj n LYS 85 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 2wdj n ILE 86 N -0.63 0.24 -4.57 -0.18 3.06 -1.26 -4.63 119.36 111.38 2wdj n ILE 86 Ca -0.09 -0.15 -0.25 0.00 -2.50 0.00 0.00 62.75 59.76 2wdj n ILE 86 Cb 0.66 -0.77 -0.14 0.00 0.54 0.00 0.00 39.64 39.94 2wdj n ILE 86 CO 0.00 0.00 0.00 1.51 -2.50 0.00 0.00 176.55 175.56 2wdj s ASP 87 N -2.16 2.39 0.00 9.51 -4.77 -1.26 -4.14 116.67 116.24 2wdj s ASP 87 Ca 0.61 -0.53 0.00 0.00 -3.30 0.00 0.00 52.55 49.33 2wdj s ASP 87 Cb -0.23 -0.19 0.00 0.00 -1.09 0.00 0.00 42.92 41.41 2wdj s ASP 87 CO 0.63 0.13 0.00 -0.38 0.70 0.00 0.00 175.17 176.26 2wdj n ILE 88 N 1.77 0.00 -3.74 2.11 5.41 -0.84 -4.93 119.36 119.14 2wdj n ILE 88 Ca -0.18 0.00 -0.36 0.00 1.00 0.00 0.00 62.75 63.22 2wdj n ILE 88 Cb 0.53 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.37 2wdj n ILE 88 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2wdj s VAL 89 N 0.22 5.22 -0.19 1.39 1.01 -1.16 -4.97 120.40 121.92 2wdj s VAL 89 Ca 0.00 0.13 -0.24 0.00 0.00 0.00 0.00 61.98 61.87 2wdj s VAL 89 Cb 0.00 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 2wdj s VAL 89 CO 0.00 0.39 0.77 -1.10 0.00 0.00 0.00 175.10 175.15 2wdj s GLN 90 N 0.82 4.25 0.00 2.72 -0.21 -1.26 -3.23 119.66 122.74 2wdj s GLN 90 Ca 0.07 0.88 0.00 0.00 0.02 0.00 0.00 55.36 56.32 2wdj s GLN 90 Cb -0.13 -3.59 0.00 0.00 1.00 0.00 0.00 33.01 30.30 2wdj s GLN 90 CO 0.02 -0.33 0.00 0.54 -2.12 0.00 0.00 175.29 173.40 2wdj n ARG 91 N 5.29 0.00 0.00 2.91 1.74 -1.26 -3.79 116.66 121.54 2wdj n ARG 91 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 2wdj n ARG 91 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 2wdj n ARG 91 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdj n GLY 92 N 0.00 0.15 4.78 -0.13 0.00 -1.23 -3.92 105.19 104.84 2wdj n GLY 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdj n GLY 92 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wdj n ARG 93 N 0.00 0.00 -1.35 1.61 0.63 -1.26 -4.32 116.66 111.96 2wdj n ARG 93 Ca 0.00 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.91 2wdj n ARG 93 Cb 0.00 -2.28 0.00 0.00 0.45 0.00 0.00 32.46 30.64 2wdj n ARG 93 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdj n ALA 94 N 0.40 -1.30 0.57 5.13 0.00 -1.26 -4.72 120.51 119.33 2wdj n ALA 94 Ca 0.00 0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.49 2wdj n ALA 94 Cb 0.00 -0.23 0.20 0.00 0.00 0.00 0.00 19.45 19.42 2wdj n ALA 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdj n ARG 95 N 0.59 0.29 -3.74 0.00 5.12 -1.26 -4.72 116.66 112.93 2wdj n ARG 95 Ca -0.00 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.82 2wdj n ARG 95 Cb 0.15 -1.37 -0.06 0.00 -1.16 0.00 0.00 32.46 30.02 2wdj n ARG 95 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2wdj s ARG 96 N -2.00 0.95 0.00 5.56 1.70 -1.26 -5.11 118.95 118.79 2wdj s ARG 96 Ca 0.10 -0.82 0.00 0.00 -0.47 0.00 0.00 55.73 54.54 2wdj s ARG 96 Cb 0.05 0.40 0.00 0.00 -0.57 0.00 0.00 34.95 34.83 2wdj s ARG 96 CO 0.08 -0.34 0.83 0.00 -1.08 0.00 0.00 175.30 174.79 2wdj n ALA 97 N -0.12 -0.32 -2.71 7.88 0.00 -1.26 -4.61 120.51 119.37 2wdj n ALA 97 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.91 2wdj n ALA 97 Cb 0.63 0.02 -0.06 0.00 0.00 0.00 0.00 19.45 20.03 2wdj n ALA 97 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2wdj s LYS 98 N -2.32 4.30 -0.53 0.00 3.01 -1.26 -4.80 119.74 118.15 2wdj s LYS 98 Ca 0.00 0.36 0.07 0.00 -1.01 0.00 0.00 55.97 55.39 2wdj s LYS 98 Cb 0.00 -3.45 0.30 0.00 -1.01 0.00 0.00 37.83 33.67 2wdj s LYS 98 CO 0.00 0.13 0.78 1.47 0.51 0.00 0.00 175.35 178.24 2wdj n LEU 99 N 3.82 2.87 0.14 3.17 -0.00 -1.11 -4.83 117.00 121.05 2wdj n LEU 99 Ca -0.08 -5.32 0.12 0.00 -0.00 0.00 0.00 56.01 50.73 2wdj n LEU 99 Cb 0.51 -0.15 0.49 0.00 -0.00 0.00 0.00 43.42 44.27 2wdj n LEU 99 CO 0.42 2.21 0.87 1.88 -0.00 0.00 0.00 177.39 182.77 2wdj h TYR 100 N 3.51 0.00 -0.40 1.47 -1.99 -1.95 -3.25 116.97 114.36 2wdj h TYR 100 Ca 0.14 0.00 0.12 0.00 2.00 0.00 0.00 58.73 60.98 2wdj h TYR 100 Cb 0.70 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.41 2wdj h TYR 100 CO 0.65 0.00 0.42 0.27 -0.00 0.00 0.00 178.16 179.51 2wdj h PHE 101 N 0.00 0.00 -0.27 4.88 -0.00 -1.97 -1.60 116.94 117.98 2wdj h PHE 101 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.97 57.89 2wdj h PHE 101 Cb 0.43 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.37 2wdj h PHE 101 CO 0.00 0.00 -0.18 -0.84 -0.00 0.00 0.00 178.31 177.29 2wdj h ILE 102 N 0.00 1.25 -0.94 0.88 3.07 -1.83 -3.08 117.51 116.86 2wdj h ILE 102 Ca 0.19 -1.13 0.25 0.00 1.55 0.00 0.00 64.86 65.73 2wdj h ILE 102 Cb 1.04 1.24 -0.17 0.00 -0.27 0.00 0.00 36.82 38.66 2wdj h ILE 102 CO -0.00 0.36 0.07 0.03 -1.05 0.00 0.00 178.15 177.56 2wdj h ARG 103 N 0.44 0.05 0.02 0.16 3.08 -1.57 -1.52 114.38 115.03 2wdj h ARG 103 Ca 0.07 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 2wdj h ARG 103 Cb 0.57 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2wdj h ARG 103 CO 0.04 0.03 -0.01 -0.91 -1.07 0.00 0.00 179.97 178.05 2wdj h ASN 104 N 0.05 -0.03 -3.78 7.04 2.35 -1.73 -3.39 115.58 116.09 2wdj h ASN 104 Ca 0.57 -0.49 -0.62 0.00 -0.55 0.00 0.00 56.30 55.21 2wdj h ASN 104 Cb 1.17 0.01 -0.40 0.00 0.05 0.00 0.00 38.32 39.14 2wdj h ASN 104 CO -0.84 0.48 -0.70 -0.76 -1.65 0.00 0.00 177.43 173.96 2wdj s LEU 105 N -9.19 3.38 -0.15 1.61 1.43 -0.63 -5.06 118.68 110.07 2wdj s LEU 105 Ca -0.16 -2.62 0.01 0.00 -1.03 0.00 0.00 54.13 50.33 2wdj s LEU 105 Cb 0.01 -1.27 0.02 0.00 0.03 0.00 0.00 46.19 44.98 2wdj s LEU 105 CO 0.66 -0.28 -0.16 -0.94 0.23 0.00 0.00 176.35 175.86 2wdj s SER 106 N 0.31 2.80 0.00 2.29 1.04 -0.88 -4.46 113.70 114.79 2wdj s SER 106 Ca 0.16 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2wdj s SER 106 Cb -0.24 -1.26 0.00 0.00 0.10 0.00 0.00 66.02 64.62 2wdj s SER 106 CO -0.03 -0.03 0.00 -0.90 0.98 0.00 0.00 173.24 173.27 2wdj n ASP 107 N 4.62 0.00 0.10 7.02 5.75 -1.26 -4.85 116.55 127.93 2wdj n ASP 107 Ca -0.18 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.67 2wdj n ASP 107 Cb 0.50 0.00 0.36 0.00 -1.03 0.00 0.00 41.12 40.95 2wdj n ASP 107 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 2wdj n ARG 108 N 0.00 0.09 -0.04 0.11 0.63 -1.26 -0.93 116.66 115.26 2wdj n ARG 108 Ca 0.00 0.57 -0.16 0.00 -0.92 0.00 0.00 57.85 57.34 2wdj n ARG 108 Cb 0.00 -1.78 -0.13 0.00 0.45 0.00 0.00 32.46 31.00 2wdj n ARG 108 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2wdj h GLU 109 N 0.00 0.07 -0.83 -0.14 5.08 -1.90 -3.17 114.58 113.70 2wdj h GLU 109 Ca 0.00 -0.13 0.08 0.00 -1.00 0.00 0.00 59.36 58.32 2wdj h GLU 109 Cb 0.02 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 2wdj h GLU 109 CO 0.00 1.06 0.49 0.82 -1.00 0.00 0.00 179.01 180.38 2wdj h ILE 110 N -0.84 0.96 -0.15 3.13 2.04 -1.25 0.30 117.51 121.69 2wdj h ILE 110 Ca -0.05 -0.29 0.04 0.00 1.00 0.00 0.00 64.86 65.56 2wdj h ILE 110 Cb 1.17 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2wdj h ILE 110 CO 0.03 0.15 0.13 0.03 0.00 0.00 0.00 178.15 178.49 2wdj h ARG 111 N 0.85 0.00 0.13 2.37 3.08 -1.55 -0.13 114.38 119.13 2wdj h ARG 111 Ca 0.38 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 60.15 2wdj h ARG 111 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2wdj h ARG 111 CO -0.22 0.00 -1.35 0.00 -1.07 0.00 0.00 179.97 177.33 2wdj h ARG 112 N 0.00 0.28 0.00 0.04 3.08 -0.45 -3.34 114.38 113.99 2wdj h ARG 112 Ca 0.07 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 59.64 2wdj h ARG 112 Cb 0.33 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2wdj h ARG 112 CO -0.00 1.20 -0.21 1.63 -1.07 0.00 0.00 179.97 181.52 2wdj n LYS 113 N -3.52 0.01 -3.17 0.04 4.01 -0.25 -4.24 118.16 111.05 2wdj n LYS 113 Ca -0.11 0.01 -0.24 0.00 -0.51 0.00 0.00 58.31 57.45 2wdj n LYS 113 Cb 1.04 -1.51 -0.05 0.00 -0.51 0.00 0.00 35.03 33.99 2wdj n LYS 113 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2wdj n LEU 114 N -1.53 2.47 0.00 -0.35 4.77 -0.21 -4.73 117.00 117.42 2wdj n LEU 114 Ca 0.06 -5.25 0.00 0.00 -0.03 0.00 0.00 56.01 50.79 2wdj n LEU 114 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2wdj n LEU 114 CO 0.30 2.22 0.00 0.54 -1.33 0.00 0.00 177.39 179.12 2wdj n ARG 115 N 0.47 0.00 -3.15 3.23 5.12 -1.26 -3.52 116.66 117.56 2wdj n ARG 115 Ca 0.27 0.00 0.05 0.00 -1.93 0.00 0.00 57.85 56.25 2wdj n ARG 115 Cb 0.50 -0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 31.78 2wdj n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wdj s ALA 116 N -2.55 -3.71 -0.78 7.54 0.00 -1.26 -4.04 121.76 116.96 2wdj s ALA 116 Ca 0.00 1.38 -0.26 0.00 0.00 0.00 0.00 51.96 53.08 2wdj s ALA 116 Cb 0.00 -2.67 -0.14 0.00 0.00 0.00 0.00 23.12 20.31 2wdj s ALA 116 CO 0.00 -1.77 2.41 -3.47 0.00 0.00 0.00 175.76 172.93 2wdj n ASP 117 N 5.30 1.78 0.28 0.00 2.03 -1.25 -4.76 116.55 119.93 2wdj n ASP 117 Ca 0.01 -1.42 -0.17 0.00 0.52 0.00 0.00 54.79 53.74 2wdj n ASP 117 Cb 0.56 -1.64 -0.08 0.00 -0.72 0.00 0.00 41.12 39.23 2wdj n ASP 117 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2wdj h ARG 118 N 13.08 -0.78 -0.67 -0.67 3.08 -1.95 -1.94 114.38 124.53 2wdj h ARG 118 Ca -0.01 0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.18 2wdj h ARG 118 Cb 1.02 0.18 -0.10 0.00 0.08 0.00 0.00 29.97 31.15 2wdj h ARG 118 CO 1.02 -0.52 -0.31 1.17 -1.07 0.00 0.00 179.97 180.27 2wdj n LYS 119 N -5.47 -0.20 0.22 0.04 4.81 -1.26 0.29 118.16 116.59 2wdj n LYS 119 Ca -0.11 1.02 0.10 0.00 -0.87 0.00 0.00 58.31 58.45 2wdj n LYS 119 Cb 0.37 -1.51 0.49 0.00 0.02 0.00 0.00 35.03 34.39 2wdj n LYS 119 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wdj h ARG 120 N 0.00 0.00 0.03 1.64 3.08 -1.91 -2.43 114.38 114.79 2wdj h ARG 120 Ca 0.19 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.16 2wdj h ARG 120 Cb 0.36 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.41 2wdj h ARG 120 CO -0.65 0.22 -0.34 0.82 -1.07 0.00 0.00 179.97 178.95 2wdj h ILE 121 N 0.00 1.60 0.00 2.04 1.08 0.53 -3.29 117.51 119.46 2wdj h ILE 121 Ca -0.00 -2.20 0.00 0.00 -0.39 0.00 0.00 64.86 62.27 2wdj h ILE 121 Cb 0.70 3.03 0.00 0.00 -3.07 0.00 0.00 36.82 37.48 2wdj h ILE 121 CO 0.03 0.60 0.00 0.47 -0.69 0.00 0.00 178.15 178.56 2wdj n ASP 122 N -4.43 0.24 -1.06 1.72 8.00 0.17 -1.45 116.55 119.74 2wdj n ASP 122 Ca -0.11 0.55 0.10 0.00 0.71 0.00 0.00 54.79 56.04 2wdj n ASP 122 Cb 0.58 -0.60 0.26 0.00 -0.02 0.00 0.00 41.12 41.34 2wdj n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wdj n GLN 123 N -1.75 2.34 -0.07 -1.24 10.64 -0.92 -2.85 117.38 123.53 2wdj n GLN 123 Ca 0.04 -2.07 -0.09 0.00 -1.83 0.00 0.00 57.00 53.05 2wdj n GLN 123 Cb 0.23 -1.46 -0.06 0.00 -0.86 0.00 0.00 30.24 28.09 2wdj n GLN 123 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2wdj n ASP 124 N 1.19 2.96 0.17 2.61 9.92 -0.53 -3.62 116.55 129.26 2wdj n ASP 124 Ca 0.19 -0.07 0.13 0.00 -0.53 0.00 0.00 54.79 54.52 2wdj n ASP 124 Cb 0.50 -0.19 0.43 0.00 -0.64 0.00 0.00 41.12 41.21 2wdj n ASP 124 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 2wdj h ARG 125 N 0.00 0.00 0.00 -1.24 2.47 -1.58 -1.44 114.38 112.59 2wdj h ARG 125 Ca -0.30 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 2wdj h ARG 125 Cb 1.46 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.78 2wdj h ARG 125 CO -0.04 0.00 -0.97 0.00 0.56 0.00 0.00 179.97 179.52 2wdj h ALA 126 N 2.23 0.51 -0.68 0.04 0.00 -1.72 -3.34 119.26 116.31 2wdj h ALA 126 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 2wdj h ALA 126 Cb 0.66 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.25 2wdj h ALA 126 CO 0.00 0.00 0.60 0.00 0.00 0.00 0.00 179.25 179.85 2wdj n ALA 127 N -2.16 6.20 -1.14 0.00 0.00 -0.54 -4.34 120.51 118.54 2wdj n ALA 127 Ca 0.00 -3.06 -0.01 0.00 0.00 0.00 0.00 53.44 50.37 2wdj n ALA 127 Cb 0.54 -1.92 0.26 0.00 0.00 0.00 0.00 19.45 18.33 2wdj n ALA 127 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2wdj n GLU 128 N 0.26 2.90 -0.70 0.00 -0.00 -1.25 -4.87 120.64 116.97 2wdj n GLU 128 Ca 0.48 -3.03 -0.36 0.00 -0.00 0.00 0.00 57.16 54.25 2wdj n GLU 128 Cb 0.50 -1.98 -0.11 0.00 -0.00 0.00 0.00 31.44 29.85 2wdj n GLU 128 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2wdj n ARG 129 N -0.57 0.01 0.00 3.44 3.00 -1.26 -3.89 116.66 117.39 2wdj n ARG 129 Ca 0.33 -1.01 0.10 0.00 -0.00 0.00 0.00 57.85 57.27 2wdj n ARG 129 Cb 1.13 -2.57 -0.06 0.00 0.00 0.00 0.00 32.46 30.97 2wdj n ARG 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wdj n ALA 130 N 10.11 3.99 -0.55 5.13 0.00 -1.26 -4.96 120.51 132.96 2wdj n ALA 130 Ca 0.42 -0.59 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 2wdj n ALA 130 Cb 0.41 -0.72 -0.06 0.00 0.00 0.00 0.00 19.45 19.08 2wdj n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdj n ALA 131 N -0.72 0.16 -1.74 0.00 0.00 -1.25 -4.64 120.51 112.31 2wdj n ALA 131 Ca 0.06 -0.14 -0.28 0.00 0.00 0.00 0.00 53.44 53.09 2wdj n ALA 131 Cb 0.37 -0.84 -0.08 0.00 0.00 0.00 0.00 19.45 18.90 2wdj n ALA 131 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wdj n LYS 132 N 2.93 1.14 -0.06 0.00 5.02 -1.26 -4.67 118.16 121.25 2wdj n LYS 132 Ca 0.24 -2.13 0.00 0.00 -2.02 0.00 0.00 58.31 54.41 2wdj n LYS 132 Cb 0.02 -3.61 0.00 0.00 -0.02 0.00 0.00 35.03 31.42 2wdj n LYS 132 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2wdj n GLU 133 N 8.07 0.69 -3.94 1.97 4.07 -1.26 -4.74 120.64 125.49 2wdj n GLU 133 Ca 0.45 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 57.26 2wdj n GLU 133 Cb 0.46 -1.16 -0.04 0.00 -0.06 0.00 0.00 31.44 30.64 2wdj n GLU 133 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2wdj s GLU 134 N 0.37 3.41 0.00 5.31 2.56 -1.26 -4.30 118.70 124.78 2wdj s GLU 134 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.97 54.44 2wdj s GLU 134 Cb 0.00 -2.98 0.00 0.00 2.00 0.00 0.00 34.13 33.15 2wdj s GLU 134 CO 0.00 0.56 0.00 0.00 -0.56 0.00 0.00 175.26 175.26 2wdj n ALA 135 N -0.12 0.00 -1.00 6.30 0.00 -1.26 -4.73 120.51 119.70 2wdj n ALA 135 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2wdj n ALA 135 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2wdj n ALA 135 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2wdj n GLN 136 N 0.00 0.00 -1.08 0.00 -0.06 -1.26 -4.52 117.38 110.46 2wdj n GLN 136 Ca 0.00 0.00 -0.25 0.00 -2.00 0.00 0.00 57.00 54.75 2wdj n GLN 136 Cb 0.00 0.00 -0.08 0.00 -4.06 0.00 0.00 30.24 26.10 2wdj n GLN 136 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 2wdj n LYS 137 N 0.00 2.73 0.00 3.69 4.76 -1.26 -5.19 118.16 122.89 2wdj n LYS 137 Ca 0.00 -1.57 0.00 0.00 -2.87 0.00 0.00 58.31 53.87 2wdj n LYS 137 Cb 0.00 -2.40 0.00 0.00 -1.84 0.00 0.00 35.03 30.79 2wdj n LYS 137 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03