#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdj s LEU 6 N 0.00 3.42 -0.14 -2.67 2.34 -1.26 -5.06 118.68 115.31 2wdj s LEU 6 Ca 0.00 -0.50 -0.10 0.00 0.06 0.00 0.00 54.13 53.59 2wdj s LEU 6 Cb 0.00 -2.34 -0.07 0.00 -0.56 0.00 0.00 46.19 43.22 2wdj s LEU 6 CO 0.00 -1.03 0.04 -0.09 -1.06 0.00 0.00 176.35 174.20 2wdj h ARG 7 N 0.38 0.00 -5.24 1.48 9.65 -2.09 -3.40 114.38 115.16 2wdj h ARG 7 Ca -0.37 0.00 -0.33 0.00 -1.10 0.00 0.00 59.98 58.18 2wdj h ARG 7 Cb 1.28 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.85 2wdj h ARG 7 CO 0.44 0.26 1.07 -0.35 2.80 0.00 0.00 179.97 184.19 2wdj n PRO 8 N -4.64 1.24 0.00 0.20 -0.04 -1.26 -3.31 135.00 127.19 2wdj n PRO 8 Ca -0.09 -2.18 0.00 0.00 -0.04 0.00 0.00 63.50 61.19 2wdj n PRO 8 Cb 0.27 -3.60 0.00 0.00 -0.04 0.00 0.00 33.50 30.13 2wdj n PRO 8 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2wdj n ASN 9 N 14.23 0.00 0.08 3.54 0.23 -1.26 -4.96 115.26 127.11 2wdj n ASN 9 Ca 0.45 0.00 0.14 0.00 -0.53 0.00 0.00 54.58 54.64 2wdj n ASN 9 Cb 0.46 0.00 0.28 0.00 -2.08 0.00 0.00 39.78 38.43 2wdj n ASN 9 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 2wdj h PRO 10 N 0.00 0.00 0.00 -0.53 0.11 -1.77 -3.44 132.00 126.37 2wdj h PRO 10 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2wdj h PRO 10 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2wdj h PRO 10 CO 0.00 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.20 2wdj n GLY 11 N -1.58 0.00 3.64 -0.55 0.00 -1.26 -4.64 105.19 100.79 2wdj n GLY 11 Ca 0.11 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.60 2wdj n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdj n ALA 12 N 0.00 -0.31 -0.72 4.61 0.00 -1.26 -4.92 120.51 117.91 2wdj n ALA 12 Ca 0.00 0.46 -0.29 0.00 0.00 0.00 0.00 53.44 53.61 2wdj n ALA 12 Cb 0.00 -2.18 0.24 0.00 0.00 0.00 0.00 19.45 17.51 2wdj n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdj s ASN 13 N 1.53 1.07 0.00 0.00 6.03 -1.26 -4.73 114.94 117.58 2wdj s ASN 13 Ca 0.87 1.27 0.00 0.00 -1.03 0.00 0.00 52.86 53.97 2wdj s ASN 13 Cb -0.92 -1.96 0.00 0.00 -3.03 0.00 0.00 41.25 35.34 2wdj s ASN 13 CO 0.50 -4.11 0.00 0.29 -2.03 0.00 0.00 177.10 171.76 2wdj n LYS 14 N -4.83 0.00 -3.87 3.55 5.02 -1.26 -4.08 118.16 112.69 2wdj n LYS 14 Ca 0.05 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.04 2wdj n LYS 14 Cb 0.56 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.42 2wdj n LYS 14 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wdj s ARG 15 N 0.00 1.20 -0.04 1.97 0.52 -1.26 -4.85 118.95 116.49 2wdj s ARG 15 Ca 0.00 -1.14 -0.00 0.00 -0.52 0.00 0.00 55.73 54.07 2wdj s ARG 15 Cb 0.00 -2.47 -0.02 0.00 0.52 0.00 0.00 34.95 32.98 2wdj s ARG 15 CO 0.00 -0.80 -0.04 2.89 0.02 0.00 0.00 175.30 177.37 2wdj n ARG 16 N 4.68 0.09 0.00 3.54 -4.01 -1.26 -5.02 116.66 114.68 2wdj n ARG 16 Ca -0.05 0.03 0.00 0.00 -1.04 0.00 0.00 57.85 56.78 2wdj n ARG 16 Cb 0.43 -0.94 0.00 0.00 -3.04 0.00 0.00 32.46 28.91 2wdj n ARG 16 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 2wdj n LYS 17 N -2.78 0.00 0.00 2.89 4.81 -1.26 -4.85 118.16 116.97 2wdj n LYS 17 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.37 2wdj n LYS 17 Cb 0.56 -2.14 0.00 0.00 0.02 0.00 0.00 35.03 33.48 2wdj n LYS 17 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2wdj n ARG 18 N -1.04 0.00 -1.40 1.64 5.12 -1.26 -4.46 116.66 115.25 2wdj n ARG 18 Ca 0.00 0.00 -0.49 0.00 -1.93 0.00 0.00 57.85 55.43 2wdj n ARG 18 Cb 0.00 0.00 -0.12 0.00 -1.16 0.00 0.00 32.46 31.18 2wdj n ARG 18 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 2wdj n VAL 19 N -0.70 0.02 -0.13 1.55 0.24 -1.26 -4.91 118.33 113.14 2wdj n VAL 19 Ca 0.00 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 2wdj n VAL 19 Cb 0.00 -0.85 0.00 0.00 -1.47 0.00 0.00 33.84 31.52 2wdj n VAL 19 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wdj n GLY 20 N 6.83 -1.78 3.26 7.63 0.00 -1.26 -5.01 105.19 114.87 2wdj n GLY 20 Ca 0.56 -1.48 -0.38 0.00 0.00 0.00 0.00 46.02 44.72 2wdj n GLY 20 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wdj s ARG 21 N -0.61 2.58 -0.36 1.61 3.52 -1.26 -5.08 118.95 119.35 2wdj s ARG 21 Ca 0.00 -1.27 -0.13 0.00 -0.13 0.00 0.00 55.73 54.20 2wdj s ARG 21 Cb 0.00 -3.53 -0.00 0.00 -1.56 0.00 0.00 34.95 29.86 2wdj s ARG 21 CO 0.00 -0.74 0.24 0.20 -0.81 0.00 0.00 175.30 174.19 2wdj s GLY 22 N 1.56 1.96 -1.29 8.12 0.00 -1.26 -5.03 107.32 111.38 2wdj s GLY 22 Ca -0.00 -1.52 -0.09 0.00 0.00 0.00 0.00 44.72 43.11 2wdj s GLY 22 CO 0.02 0.81 1.92 -1.05 0.00 0.00 0.00 173.10 174.81 2wdj n PRO 23 N 5.09 3.64 -3.29 2.90 -0.02 -1.26 -4.83 135.00 137.23 2wdj n PRO 23 Ca -0.12 -3.47 -0.21 0.00 -2.02 0.00 0.00 63.50 57.67 2wdj n PRO 23 Cb 0.48 -2.92 -0.08 0.00 -0.02 0.00 0.00 33.50 30.96 2wdj n PRO 23 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2wdj s GLY 24 N 0.92 0.44 0.00 -1.23 0.00 -1.26 -4.67 107.32 101.52 2wdj s GLY 24 Ca 0.41 -1.67 0.00 0.00 0.00 0.00 0.00 44.72 43.45 2wdj s GLY 24 CO -0.00 2.52 0.00 -1.14 0.00 0.00 0.00 173.10 174.48 2wdj n SER 25 N 3.37 0.00 -0.35 1.64 3.41 -1.26 -5.03 113.62 115.41 2wdj n SER 25 Ca 0.21 0.00 0.25 0.00 -0.26 0.00 0.00 58.87 59.06 2wdj n SER 25 Cb 0.47 0.00 0.50 0.00 -0.26 0.00 0.00 64.21 64.92 2wdj n SER 25 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2wdj h GLY 26 N 0.00 1.71 -7.34 5.00 0.00 -1.98 -3.05 103.07 97.41 2wdj h GLY 26 Ca 0.00 -0.22 -0.67 0.00 0.00 0.00 0.00 47.33 46.43 2wdj h GLY 26 CO 0.00 -0.35 -0.76 -1.58 0.00 0.00 0.00 176.54 173.85 2wdj s HIS 27 N -5.58 3.13 0.00 5.60 5.65 -1.26 -4.67 115.29 118.16 2wdj s HIS 27 Ca -0.09 -1.83 0.00 0.00 0.25 0.00 0.00 55.06 53.39 2wdj s HIS 27 Cb 0.28 -2.02 0.00 0.00 -1.18 0.00 0.00 32.58 29.66 2wdj s HIS 27 CO 0.80 -0.79 0.00 0.41 -0.65 0.00 0.00 174.74 174.51 2wdj n GLY 28 N 4.59 1.08 2.44 1.59 0.00 -1.26 -4.93 105.19 108.71 2wdj n GLY 28 Ca -0.16 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 2wdj n GLY 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdj n LYS 29 N 0.00 0.45 0.00 1.61 4.01 -1.26 -5.00 118.16 117.97 2wdj n LYS 29 Ca 0.00 -2.82 0.00 0.00 -0.51 0.00 0.00 58.31 54.98 2wdj n LYS 29 Cb 0.00 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.03 2wdj n LYS 29 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2wdj n THR 30 N 2.36 0.00 0.00 -0.18 -1.04 -1.15 -3.97 114.28 110.29 2wdj n THR 30 Ca 0.23 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.24 2wdj n THR 30 Cb 0.52 -0.43 0.00 0.00 -1.82 0.00 0.00 70.33 68.60 2wdj n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wdj n ALA 31 N -3.00 0.00 0.26 2.41 0.00 -1.26 0.12 120.51 119.04 2wdj n ALA 31 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2wdj n ALA 31 Cb 0.00 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.09 2wdj n ALA 31 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2wdj h THR 32 N 0.00 0.00 -1.90 0.00 1.35 -1.88 -3.47 112.91 107.00 2wdj h THR 32 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2wdj h THR 32 Cb 0.00 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 66.94 2wdj h THR 32 CO 0.00 0.00 -0.44 -1.14 -0.25 0.00 0.00 175.52 173.69 2wdj n ARG 33 N -2.54 -2.42 0.00 4.72 3.00 0.33 -4.47 116.66 115.29 2wdj n ARG 33 Ca -0.02 1.74 0.00 0.00 -0.00 0.00 0.00 57.85 59.58 2wdj n ARG 33 Cb 0.32 -1.92 0.00 0.00 0.00 0.00 0.00 32.46 30.86 2wdj n ARG 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wdj n GLY 34 N -0.04 0.00 0.47 5.14 0.00 -1.25 -4.10 105.19 105.41 2wdj n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdj n GLY 34 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wdj n HIS 35 N 0.00 -0.93 -2.90 1.61 8.25 -1.26 -5.08 115.22 114.90 2wdj n HIS 35 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wdj n HIS 35 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2wdj n HIS 35 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2wdj n LYS 36 N -0.43 0.00 -1.38 -0.41 5.02 -1.26 -4.78 118.16 114.92 2wdj n LYS 36 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 2wdj n LYS 36 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2wdj n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdj n GLY 37 N 0.00 0.43 0.00 0.72 0.00 -1.26 -4.95 105.19 100.12 2wdj n GLY 37 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2wdj n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdj n GLN 38 N -2.33 0.00 -3.64 1.61 10.64 -1.26 -5.12 117.38 117.28 2wdj n GLN 38 Ca -0.01 0.00 -0.02 0.00 -1.83 0.00 0.00 57.00 55.13 2wdj n GLN 38 Cb 0.21 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.53 2wdj n GLN 38 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2wdj s LYS 39 N 1.18 0.07 -0.37 2.61 -0.14 -1.26 -5.00 119.74 116.82 2wdj s LYS 39 Ca 0.00 0.04 -0.01 0.00 -1.36 0.00 0.00 55.97 54.64 2wdj s LYS 39 Cb 0.00 0.03 0.00 0.00 -1.68 0.00 0.00 37.83 36.18 2wdj s LYS 39 CO 0.00 -0.02 0.31 0.45 -0.76 0.00 0.00 175.35 175.34 2wdj n SER 40 N 0.98 -2.48 -2.74 2.83 2.88 -1.26 -4.96 113.62 108.88 2wdj n SER 40 Ca -0.05 -0.17 -0.05 0.00 -1.33 0.00 0.00 58.87 57.27 2wdj n SER 40 Cb 0.58 -1.85 0.03 0.00 -0.75 0.00 0.00 64.21 62.22 2wdj n SER 40 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2wdj n ARG 41 N -1.89 0.54 0.00 -1.46 5.12 -1.26 -4.86 116.66 112.85 2wdj n ARG 41 Ca -0.05 -1.64 0.00 0.00 -1.93 0.00 0.00 57.85 54.23 2wdj n ARG 41 Cb 0.54 -1.15 0.00 0.00 -1.16 0.00 0.00 32.46 30.69 2wdj n ARG 41 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 2wdj n SER 42 N 2.26 0.00 0.00 0.55 3.41 -1.26 -4.89 113.62 113.69 2wdj n SER 42 Ca 0.12 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 2wdj n SER 42 Cb 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 2wdj n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wdj n GLY 43 N 0.00 -0.08 0.00 5.00 0.00 -1.26 -5.14 105.19 103.71 2wdj n GLY 43 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2wdj n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdj n GLY 44 N 0.00 0.76 3.30 -0.02 0.00 -1.26 -5.12 105.19 102.84 2wdj n GLY 44 Ca 0.00 -1.60 -0.10 0.00 0.00 0.00 0.00 46.02 44.33 2wdj n GLY 44 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wdj s LEU 45 N -0.83 0.78 0.15 0.99 0.20 -1.26 -4.60 118.68 114.12 2wdj s LEU 45 Ca 0.00 -0.50 -0.17 0.00 0.69 0.00 0.00 54.13 54.14 2wdj s LEU 45 Cb 0.00 1.52 0.06 0.00 -0.43 0.00 0.00 46.19 47.34 2wdj s LEU 45 CO 0.00 -0.83 1.70 0.50 -0.29 0.00 0.00 176.35 177.43 2wdj h LYS 46 N 2.50 0.08 0.00 1.98 1.63 -1.99 -3.47 116.57 117.31 2wdj h LYS 46 Ca -0.33 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.46 2wdj h LYS 46 Cb 1.23 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 2wdj h LYS 46 CO 0.49 0.05 0.00 -3.47 -3.45 0.00 0.00 179.45 173.08 2wdj n ASP 47 N -5.19 0.00 -0.06 4.20 -0.08 -1.26 -4.91 116.55 109.25 2wdj n ASP 47 Ca 0.01 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.25 2wdj n ASP 47 Cb 0.18 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.61 2wdj n ASP 47 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2wdj h PRO 48 N 0.00 0.00 0.00 -0.67 0.13 -1.91 -3.51 132.00 126.04 2wdj h PRO 48 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2wdj h PRO 48 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2wdj h PRO 48 CO 0.00 0.20 0.00 0.54 -0.23 0.00 0.00 178.00 178.51 2wdj n ARG 49 N -4.71 0.00 0.05 0.86 1.74 -1.26 0.61 116.66 113.96 2wdj n ARG 49 Ca -0.04 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.83 2wdj n ARG 49 Cb 0.16 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.49 2wdj n ARG 49 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 2wdj h ARG 50 N 0.00 0.68 -7.37 5.56 0.11 -1.97 -3.48 114.38 107.90 2wdj h ARG 50 Ca 0.00 -0.77 -0.50 0.00 0.10 0.00 0.00 59.98 58.82 2wdj h ARG 50 Cb 0.00 0.23 0.11 0.00 1.11 0.00 0.00 29.97 31.42 2wdj h ARG 50 CO 0.00 1.33 0.34 -0.06 0.10 0.00 0.00 179.97 181.69 2wdj s PHE 51 N -3.23 2.88 0.00 4.08 0.08 0.20 -4.73 117.98 117.26 2wdj s PHE 51 Ca -0.10 1.29 0.00 0.00 0.12 0.00 0.00 56.93 58.24 2wdj s PHE 51 Cb 0.06 -3.03 0.00 0.00 -0.57 0.00 0.00 43.02 39.48 2wdj s PHE 51 CO 0.92 -1.62 0.00 0.39 -0.10 0.00 0.00 175.22 174.81 2wdj n GLU 52 N -3.36 0.00 0.00 0.44 -0.58 -1.26 -4.77 120.64 111.11 2wdj n GLU 52 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 2wdj n GLU 52 Cb 0.55 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.42 2wdj n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wdj n GLY 53 N -1.41 3.45 0.00 0.62 0.00 -1.26 -4.41 105.19 102.18 2wdj n GLY 53 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.15 2wdj n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdj n GLY 54 N 0.00 1.44 0.00 -0.02 0.00 -1.26 -5.05 105.19 100.31 2wdj n GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdj n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdj n ARG 55 N -1.43 0.00 -0.90 1.61 1.74 -1.26 -4.99 116.66 111.42 2wdj n ARG 55 Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 2wdj n ARG 55 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 2wdj n ARG 55 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2wdj n SER 56 N 0.00 -0.50 0.00 0.55 7.64 -1.26 -5.07 113.62 114.98 2wdj n SER 56 Ca 0.00 -1.75 0.00 0.00 1.01 0.00 0.00 58.87 58.13 2wdj n SER 56 Cb 0.00 0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2wdj n SER 56 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2wdj n THR 57 N 0.05 0.00 0.00 0.44 -2.24 -1.26 -2.10 114.28 109.17 2wdj n THR 57 Ca -0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2wdj n THR 57 Cb 0.70 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 2wdj n THR 57 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2wdj n THR 58 N 0.00 0.00 -0.74 4.28 -1.04 -1.26 -4.98 114.28 110.54 2wdj n THR 58 Ca 0.00 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.03 2wdj n THR 58 Cb 0.00 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.54 2wdj n THR 58 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 2wdj n LEU 59 N 0.00 1.35 0.12 -4.42 7.94 -0.89 -4.64 117.00 116.45 2wdj n LEU 59 Ca 0.00 -1.65 -0.01 0.00 -1.11 0.00 0.00 56.01 53.24 2wdj n LEU 59 Cb 0.00 -0.10 0.03 0.00 0.53 0.00 0.00 43.42 43.88 2wdj n LEU 59 CO 0.00 0.40 0.38 0.24 -1.11 0.00 0.00 177.39 177.30 2wdj h MET 60 N 0.00 0.00 -6.29 1.96 2.86 -1.94 -3.45 114.93 108.07 2wdj h MET 60 Ca 0.00 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.10 2wdj h MET 60 Cb 0.85 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.52 2wdj h MET 60 CO 0.00 0.68 1.28 -0.98 1.06 0.00 0.00 176.91 178.95 2wdj s ARG 61 N -3.01 3.97 0.74 1.72 1.04 -1.26 -4.97 118.95 117.17 2wdj s ARG 61 Ca 0.02 2.51 -0.12 0.00 -1.04 0.00 0.00 55.73 57.10 2wdj s ARG 61 Cb 0.09 -4.20 0.04 0.00 -2.04 0.00 0.00 34.95 28.84 2wdj s ARG 61 CO 0.77 -1.16 1.09 -0.48 -0.04 0.00 0.00 175.30 175.48 2wdj s LEU 62 N 5.13 3.14 -1.03 -1.89 2.34 -1.26 -4.99 118.68 120.12 2wdj s LEU 62 Ca 0.90 1.86 -0.02 0.00 0.06 0.00 0.00 54.13 56.93 2wdj s LEU 62 Cb -0.41 -4.53 0.30 0.00 -0.56 0.00 0.00 46.19 40.99 2wdj s LEU 62 CO 0.40 -1.89 1.93 -0.81 -1.06 0.00 0.00 176.35 174.92 2wdj n PRO 63 N -3.19 5.01 0.00 1.48 -0.04 -1.26 -4.78 135.00 132.22 2wdj n PRO 63 Ca 0.09 -4.37 0.00 0.00 -0.04 0.00 0.00 63.50 59.18 2wdj n PRO 63 Cb 0.53 -2.46 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 2wdj n PRO 63 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2wdj n LYS 64 N 0.09 0.00 -0.03 0.54 0.00 -1.26 -1.55 118.16 115.95 2wdj n LYS 64 Ca 0.49 0.29 0.00 0.00 0.00 0.00 0.00 58.31 59.10 2wdj n LYS 64 Cb 0.26 -1.67 0.00 0.00 0.00 0.00 0.00 35.03 33.62 2wdj n LYS 64 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2wdj n ARG 65 N -1.28 0.23 -1.19 1.64 0.63 -1.26 -4.81 116.66 110.62 2wdj n ARG 65 Ca 0.00 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.57 2wdj n ARG 65 Cb 0.17 -1.39 0.06 0.00 0.45 0.00 0.00 32.46 31.75 2wdj n ARG 65 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wdj n GLY 66 N 1.14 -2.19 1.06 5.14 0.00 -0.60 -4.61 105.19 105.13 2wdj n GLY 66 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2wdj n GLY 66 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2wdj n MET 67 N -0.09 0.00 -2.38 1.61 0.00 -1.26 -5.05 117.12 109.95 2wdj n MET 67 Ca 0.08 0.35 -0.19 0.00 -0.00 0.00 0.00 57.70 57.95 2wdj n MET 67 Cb 0.50 -0.88 0.02 0.00 0.00 0.00 0.00 33.22 32.86 2wdj n MET 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2wdj n GLN 68 N -0.17 2.92 0.00 2.12 3.00 -1.26 -5.09 117.38 118.89 2wdj n GLN 68 Ca 0.00 -4.03 0.00 0.00 -0.01 0.00 0.00 57.00 52.96 2wdj n GLN 68 Cb 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 30.24 28.22 2wdj n GLN 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2wdj n GLY 69 N -0.55 -1.55 0.00 1.08 0.00 -1.26 -5.07 105.19 97.84 2wdj n GLY 69 Ca 0.32 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2wdj n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2wdj n GLN 70 N 0.45 1.98 -0.09 1.61 -0.06 -1.26 -5.03 117.38 114.98 2wdj n GLN 70 Ca 0.00 0.00 -0.16 0.00 -2.00 0.00 0.00 57.00 54.84 2wdj n GLN 70 Cb 0.00 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.11 2wdj n GLN 70 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 2wdj n VAL 71 N 0.00 0.99 0.44 1.69 3.14 -1.26 -4.50 118.33 118.83 2wdj n VAL 71 Ca 0.00 -0.31 0.07 0.00 -2.96 0.00 0.00 64.34 61.14 2wdj n VAL 71 Cb 0.00 -1.44 0.32 0.00 -1.06 0.00 0.00 33.84 31.66 2wdj n VAL 71 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2wdj n PRO 72 N -3.43 0.04 0.00 1.45 -0.02 -1.26 -4.96 135.00 126.82 2wdj n PRO 72 Ca -0.33 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2wdj n PRO 72 Cb 0.79 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 2wdj n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdj n GLY 73 N -0.14 0.51 3.77 -1.23 0.00 -1.26 -5.06 105.19 101.78 2wdj n GLY 73 Ca 0.03 -2.29 -0.41 0.00 0.00 0.00 0.00 46.02 43.35 2wdj n GLY 73 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wdj s GLU 74 N -0.48 4.21 -0.03 1.61 -1.05 -1.26 -4.59 118.70 117.12 2wdj s GLU 74 Ca 0.00 2.42 -0.30 0.00 -0.15 0.00 0.00 54.97 56.94 2wdj s GLU 74 Cb 0.00 -3.02 -0.05 0.00 -0.44 0.00 0.00 34.13 30.63 2wdj s GLU 74 CO 0.00 -0.39 1.38 0.42 0.95 0.00 0.00 175.26 177.61 2wdj s ILE 75 N -1.06 3.84 -0.27 1.83 1.09 -1.26 -4.95 121.20 120.43 2wdj s ILE 75 Ca 0.52 1.18 -0.29 0.00 -1.10 0.00 0.00 60.65 60.96 2wdj s ILE 75 Cb -0.44 -3.76 -0.00 0.00 -1.06 0.00 0.00 42.46 37.20 2wdj s ILE 75 CO 0.58 -0.02 1.31 -0.75 -0.10 0.00 0.00 174.94 175.95 2wdj s LYS 76 N 2.64 3.98 0.05 2.79 2.20 -1.26 -5.00 119.74 125.14 2wdj s LYS 76 Ca 0.62 1.36 -0.05 0.00 -0.36 0.00 0.00 55.97 57.55 2wdj s LYS 76 Cb -0.29 -3.86 -0.02 0.00 -1.51 0.00 0.00 37.83 32.15 2wdj s LYS 76 CO 0.25 -1.04 0.07 -0.98 -0.36 0.00 0.00 175.35 173.29 2wdj s ARG 77 N 4.04 0.65 0.01 4.03 1.70 -1.26 -5.13 118.95 122.99 2wdj s ARG 77 Ca 0.56 -0.96 -0.31 0.00 -0.47 0.00 0.00 55.73 54.55 2wdj s ARG 77 Cb -0.18 0.25 -0.10 0.00 -0.57 0.00 0.00 34.95 34.35 2wdj s ARG 77 CO 0.21 -0.16 1.93 -0.35 -1.08 0.00 0.00 175.30 175.86 2wdj n PRO 78 N 0.37 2.67 -3.78 3.89 -0.04 -1.26 -4.99 135.00 131.87 2wdj n PRO 78 Ca -0.17 0.98 -0.36 0.00 -0.04 0.00 0.00 63.50 63.91 2wdj n PRO 78 Cb 0.60 -2.90 -0.11 0.00 -0.04 0.00 0.00 33.50 31.05 2wdj n PRO 78 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2wdj s ARG 79 N 4.15 3.83 0.13 0.54 1.70 -1.26 -5.05 118.95 123.00 2wdj s ARG 79 Ca 0.89 -0.39 -0.13 0.00 -0.47 0.00 0.00 55.73 55.63 2wdj s ARG 79 Cb -0.51 -3.39 -0.07 0.00 -0.57 0.00 0.00 34.95 30.41 2wdj s ARG 79 CO 0.44 -0.05 0.51 0.71 -1.08 0.00 0.00 175.30 175.83 2wdj s TYR 80 N 1.30 3.60 -0.19 5.89 2.02 -1.26 -3.77 117.35 124.94 2wdj s TYR 80 Ca 0.06 0.99 0.01 0.00 -0.37 0.00 0.00 57.07 57.76 2wdj s TYR 80 Cb -0.15 -2.31 0.03 0.00 -0.40 0.00 0.00 41.96 39.13 2wdj s TYR 80 CO 0.05 0.45 -0.15 -1.14 -1.57 0.00 0.00 175.55 173.18 2wdj s GLN 81 N -1.97 2.52 1.21 -0.62 2.00 -0.89 -4.98 119.66 116.93 2wdj s GLN 81 Ca 0.37 -0.84 -0.18 0.00 -2.00 0.00 0.00 55.36 52.71 2wdj s GLN 81 Cb -0.15 -2.48 0.29 0.00 0.80 0.00 0.00 33.01 31.48 2wdj s GLN 81 CO 0.19 -0.31 1.05 0.20 -0.50 0.00 0.00 175.29 175.92 2wdj s GLY 82 N 1.33 1.53 -0.30 2.59 0.00 -1.26 -2.22 107.32 109.00 2wdj s GLY 82 Ca 0.02 -0.68 -0.17 0.00 0.00 0.00 0.00 44.72 43.88 2wdj s GLY 82 CO -0.10 0.15 1.17 0.54 0.00 0.00 0.00 173.10 174.86 2wdj s VAL 83 N -2.75 -0.21 0.17 1.40 0.11 -0.66 -4.81 120.40 113.65 2wdj s VAL 83 Ca 0.69 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.44 2wdj s VAL 83 Cb -0.15 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.63 2wdj s VAL 83 CO 0.58 0.00 1.13 0.20 -3.33 0.00 0.00 175.10 173.68 2wdj s ASN 84 N 2.40 7.21 0.00 3.54 0.02 -1.19 -0.87 114.94 126.05 2wdj s ASN 84 Ca -0.02 2.11 0.00 0.00 -1.02 0.00 0.00 52.86 53.93 2wdj s ASN 84 Cb -0.04 -2.60 0.00 0.00 0.02 0.00 0.00 41.25 38.62 2wdj s ASN 84 CO -0.15 -0.28 0.33 0.00 0.02 0.00 0.00 177.10 177.02 2wdj n LEU 85 N 2.57 0.06 0.07 0.60 -0.00 -0.92 0.17 117.00 119.55 2wdj n LEU 85 Ca 0.04 -0.03 0.11 0.00 -0.00 0.00 0.00 56.01 56.13 2wdj n LEU 85 Cb 0.46 -0.03 -0.01 0.00 -0.00 0.00 0.00 43.42 43.83 2wdj n LEU 85 CO 0.54 0.02 -0.08 1.17 -0.00 0.00 0.00 177.39 179.04 2wdj n LYS 86 N -0.36 0.56 0.00 1.47 4.81 -0.76 -3.55 118.16 120.33 2wdj n LYS 86 Ca 0.00 0.05 0.07 0.00 -0.87 0.00 0.00 58.31 57.57 2wdj n LYS 86 Cb 0.02 -1.74 -0.07 0.00 0.02 0.00 0.00 35.03 33.26 2wdj n LYS 86 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2wdj n ASP 87 N -2.49 0.96 0.12 3.14 8.00 0.13 -4.05 116.55 122.35 2wdj n ASP 87 Ca -0.00 -0.98 0.01 0.00 0.71 0.00 0.00 54.79 54.53 2wdj n ASP 87 Cb 0.53 0.87 -0.00 0.00 -0.02 0.00 0.00 41.12 42.49 2wdj n ASP 87 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2wdj h LEU 88 N 0.46 0.00 -1.44 0.64 4.07 -1.62 -3.22 115.31 114.21 2wdj h LEU 88 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2wdj h LEU 88 Cb 0.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.15 2wdj h LEU 88 CO 0.00 0.56 0.09 0.00 -1.08 0.00 0.00 178.44 178.01 2wdj h ALA 89 N 1.44 1.06 0.41 1.53 0.00 -1.70 -2.84 119.26 119.16 2wdj h ALA 89 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2wdj h ALA 89 Cb 1.45 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 2wdj h ALA 89 CO 0.07 -0.06 -0.45 -0.09 0.00 0.00 0.00 179.25 178.72 2wdj h ARG 90 N 0.00 -0.85 -6.12 0.00 2.43 -1.82 -3.45 114.38 104.58 2wdj h ARG 90 Ca 0.00 0.06 -0.54 0.00 -0.81 0.00 0.00 59.98 58.69 2wdj h ARG 90 Cb 0.18 0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 29.85 2wdj h ARG 90 CO 0.00 -0.57 -0.54 -0.59 -1.51 0.00 0.00 179.97 176.77 2wdj s PHE 91 N -5.92 2.74 0.33 2.20 -0.71 -1.07 -5.15 117.98 110.40 2wdj s PHE 91 Ca -0.17 -0.35 0.08 0.00 -1.04 0.00 0.00 56.93 55.44 2wdj s PHE 91 Cb 0.05 -1.62 -0.06 0.00 -1.21 0.00 0.00 43.02 40.18 2wdj s PHE 91 CO 0.62 0.35 -0.05 -2.00 -1.34 0.00 0.00 175.22 172.79 2wdj s GLU 92 N -3.85 1.74 0.00 1.99 2.12 -1.26 -4.98 118.70 114.46 2wdj s GLU 92 Ca 0.37 -1.92 0.00 0.00 0.36 0.00 0.00 54.97 53.79 2wdj s GLU 92 Cb -0.03 -1.44 0.00 0.00 0.26 0.00 0.00 34.13 32.92 2wdj s GLU 92 CO 0.23 0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.40 2wdj n GLY 93 N -0.74 0.60 3.18 -1.50 0.00 -1.26 -4.93 105.19 100.54 2wdj n GLY 93 Ca -0.05 -1.28 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 2wdj n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wdj s GLU 94 N 0.00 2.64 -0.12 1.61 2.12 -1.26 -4.12 118.70 119.57 2wdj s GLU 94 Ca 0.00 -0.77 -0.02 0.00 0.36 0.00 0.00 54.97 54.54 2wdj s GLU 94 Cb 0.00 -2.06 -0.03 0.00 0.26 0.00 0.00 34.13 32.31 2wdj s GLU 94 CO 0.00 0.18 -0.06 0.14 -0.54 0.00 0.00 175.26 174.98 2wdj s VAL 95 N 0.32 3.70 0.09 3.70 -7.23 -1.08 -5.06 120.40 114.83 2wdj s VAL 95 Ca -0.15 -0.45 -0.11 0.00 -1.81 0.00 0.00 61.98 59.46 2wdj s VAL 95 Cb -0.17 -2.57 0.01 0.00 0.56 0.00 0.00 36.38 34.21 2wdj s VAL 95 CO 0.07 0.54 0.25 0.42 -0.31 0.00 0.00 175.10 176.07 2wdj s THR 96 N -0.06 0.12 1.16 5.32 -4.23 -1.26 -1.17 115.64 115.51 2wdj s THR 96 Ca 0.01 -0.96 -0.17 0.00 -1.18 0.00 0.00 61.69 59.39 2wdj s THR 96 Cb -0.13 -1.22 0.18 0.00 1.34 0.00 0.00 72.50 72.66 2wdj s THR 96 CO 0.03 -0.53 0.32 -2.65 -0.54 0.00 0.00 174.62 171.25 2wdj n PRO 97 N 0.02 -2.07 0.00 3.99 -0.02 -1.25 -1.51 135.00 134.16 2wdj n PRO 97 Ca -0.16 -0.59 0.00 0.00 -2.02 0.00 0.00 63.50 60.74 2wdj n PRO 97 Cb 0.62 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 2wdj n PRO 97 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2wdj n GLU 98 N -3.05 0.00 0.14 -0.52 0.28 -1.26 -4.21 120.64 112.01 2wdj n GLU 98 Ca 0.01 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.78 2wdj n GLU 98 Cb 0.59 -1.26 -0.16 0.00 1.43 0.00 0.00 31.44 32.05 2wdj n GLU 98 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2wdj h LEU 99 N 0.00 0.76 -0.08 -1.84 6.46 -1.68 -2.42 115.31 116.51 2wdj h LEU 99 Ca 0.00 -0.82 -0.04 0.00 -0.12 0.00 0.00 57.88 56.89 2wdj h LEU 99 Cb 0.00 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 39.68 2wdj h LEU 99 CO 0.00 1.65 -0.12 -0.07 -0.62 0.00 0.00 178.44 179.28 2wdj h LEU 100 N 0.13 0.25 -1.15 2.25 -0.00 -1.53 -3.14 115.31 112.11 2wdj h LEU 100 Ca -0.24 -0.53 0.03 0.00 -0.00 0.00 0.00 57.88 57.15 2wdj h LEU 100 Cb 2.13 -0.07 -0.05 0.00 -0.00 0.00 0.00 40.66 42.67 2wdj h LEU 100 CO 0.26 0.72 0.58 -0.37 -0.00 0.00 0.00 178.44 179.63 2wdj h VAL 101 N -0.22 1.15 0.00 1.22 -1.51 -1.58 0.11 116.25 115.41 2wdj h VAL 101 Ca 0.01 -0.38 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 2wdj h VAL 101 Cb 0.67 -0.05 0.00 0.00 -2.13 0.00 0.00 31.29 29.78 2wdj h VAL 101 CO 0.03 0.20 0.00 -1.14 -1.23 0.00 0.00 177.57 175.43 2wdj n ARG 102 N -4.44 0.41 0.00 5.19 0.63 -0.91 -4.43 116.66 113.11 2wdj n ARG 102 Ca 0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 2wdj n ARG 102 Cb 0.10 -1.18 0.00 0.00 0.45 0.00 0.00 32.46 31.83 2wdj n ARG 102 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wdj n ALA 103 N 0.20 0.00 0.34 5.13 0.00 0.37 -5.04 120.51 121.51 2wdj n ALA 103 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2wdj n ALA 103 Cb 0.09 0.00 0.32 0.00 0.00 0.00 0.00 19.45 19.86 2wdj n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdj n GLY 104 N 0.00 -0.95 3.21 0.00 0.00 -1.25 -4.86 105.19 101.34 2wdj n GLY 104 Ca 0.00 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 2wdj n GLY 104 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2wdj s LEU 105 N -3.50 2.46 0.00 0.99 2.34 -1.24 -4.97 118.68 114.75 2wdj s LEU 105 Ca 0.04 -1.04 0.00 0.00 0.06 0.00 0.00 54.13 53.19 2wdj s LEU 105 Cb 0.07 -0.16 0.00 0.00 -0.56 0.00 0.00 46.19 45.54 2wdj s LEU 105 CO 0.23 -0.44 0.00 -0.11 -1.06 0.00 0.00 176.35 174.97 2wdj n LEU 106 N -0.13 0.00 -2.88 1.48 7.94 -1.26 -2.51 117.00 119.64 2wdj n LEU 106 Ca -0.11 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.78 2wdj n LEU 106 Cb 0.61 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.55 2wdj n LEU 106 CO 0.31 0.00 -0.44 2.29 -1.11 0.00 0.00 177.39 178.45 2wdj n LYS 107 N 0.00 -2.58 -0.23 1.96 2.85 -1.26 -3.01 118.16 115.89 2wdj n LYS 107 Ca 0.00 2.17 0.00 0.00 -1.05 0.00 0.00 58.31 59.43 2wdj n LYS 107 Cb 0.00 -3.27 0.00 0.00 -0.65 0.00 0.00 35.03 31.11 2wdj n LYS 107 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2wdj n LYS 108 N 1.53 -0.57 0.00 -1.58 4.01 -1.26 -4.63 118.16 115.66 2wdj n LYS 108 Ca -0.12 0.05 0.00 0.00 -0.51 0.00 0.00 58.31 57.73 2wdj n LYS 108 Cb 0.30 -2.56 0.00 0.00 -0.51 0.00 0.00 35.03 32.25 2wdj n LYS 108 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2wdj n GLY 109 N 0.06 -0.09 0.86 0.72 0.00 -1.17 -4.89 105.19 100.68 2wdj n GLY 109 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 2wdj n GLY 109 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2wdj n TYR 110 N -1.00 -2.80 0.00 1.61 9.36 -1.26 -4.54 117.16 118.53 2wdj n TYR 110 Ca 0.00 0.89 0.00 0.00 3.32 0.00 0.00 57.90 62.11 2wdj n TYR 110 Cb 0.03 -1.64 0.00 0.00 -0.63 0.00 0.00 39.34 37.10 2wdj n TYR 110 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2wdj n ARG 111 N -2.60 0.00 -3.62 2.98 1.74 -1.25 -4.40 116.66 109.51 2wdj n ARG 111 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 2wdj n ARG 111 Cb 0.32 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.70 2wdj n ARG 111 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2wdj s LEU 112 N 0.00 4.39 -0.24 0.55 1.98 -1.26 -2.09 118.68 122.00 2wdj s LEU 112 Ca 0.00 0.70 0.00 0.00 -2.89 0.00 0.00 54.13 51.94 2wdj s LEU 112 Cb 0.00 -2.38 0.07 0.00 0.66 0.00 0.00 46.19 44.54 2wdj s LEU 112 CO 0.00 0.29 -0.02 -0.75 -1.89 0.00 0.00 176.35 173.98 2wdj s LYS 113 N -0.66 1.39 0.02 1.98 2.20 -0.94 -0.73 119.74 123.00 2wdj s LYS 113 Ca 0.19 -0.98 -0.18 0.00 -0.36 0.00 0.00 55.97 54.64 2wdj s LYS 113 Cb -0.14 -2.51 -0.06 0.00 -1.51 0.00 0.00 37.83 33.61 2wdj s LYS 113 CO 0.08 -0.67 0.53 -1.50 -0.36 0.00 0.00 175.35 173.44 2wdj s ILE 114 N 1.45 4.88 0.00 5.43 1.10 -0.87 -1.65 121.20 131.54 2wdj s ILE 114 Ca -0.03 1.12 0.00 0.00 -0.51 0.00 0.00 60.65 61.23 2wdj s ILE 114 Cb -0.18 -3.86 0.00 0.00 0.15 0.00 0.00 42.46 38.57 2wdj s ILE 114 CO -0.08 0.51 0.00 0.00 -2.11 0.00 0.00 174.94 173.25 2wdj n LEU 115 N 2.15 0.00 0.00 8.50 -0.00 -0.04 -3.16 117.00 124.44 2wdj n LEU 115 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.91 2wdj n LEU 115 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.93 2wdj n LEU 115 CO 0.41 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.41 2wdj n GLY 116 N 0.00 0.67 3.67 1.47 0.00 -1.26 -2.16 105.19 107.58 2wdj n GLY 116 Ca 0.00 -1.37 -0.25 0.00 0.00 0.00 0.00 46.02 44.40 2wdj n GLY 116 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wdj n GLU 117 N 4.30 0.70 0.00 1.61 1.02 -1.26 -4.63 120.64 122.38 2wdj n GLU 117 Ca 0.00 -3.29 0.00 0.00 -0.02 0.00 0.00 57.16 53.85 2wdj n GLU 117 Cb 0.00 0.32 0.00 0.00 -0.02 0.00 0.00 31.44 31.74 2wdj n GLU 117 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wdj n GLY 118 N -1.41 -0.50 3.75 0.62 0.00 -1.26 -1.83 105.19 104.56 2wdj n GLY 118 Ca -0.01 -1.43 -0.40 0.00 0.00 0.00 0.00 46.02 44.18 2wdj n GLY 118 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wdj s GLU 119 N -4.82 4.77 0.42 1.61 0.41 -1.26 -4.55 118.70 115.28 2wdj s GLU 119 Ca 0.00 1.60 -0.24 0.00 -0.41 0.00 0.00 54.97 55.92 2wdj s GLU 119 Cb 0.00 -3.26 -0.08 0.00 -1.78 0.00 0.00 34.13 29.01 2wdj s GLU 119 CO 0.00 0.39 1.13 0.00 -0.49 0.00 0.00 175.26 176.29 2wdj s ALA 120 N -1.08 3.06 -0.31 5.21 0.00 -1.25 -4.77 121.76 122.61 2wdj s ALA 120 Ca 0.43 0.87 -0.09 0.00 0.00 0.00 0.00 51.96 53.17 2wdj s ALA 120 Cb -0.28 -3.35 -0.00 0.00 0.00 0.00 0.00 23.12 19.49 2wdj s ALA 120 CO 0.35 -0.48 0.14 0.15 0.00 0.00 0.00 175.76 175.92 2wdj s LYS 121 N -2.52 3.25 -0.91 0.00 1.02 -1.26 -4.97 119.74 114.35 2wdj s LYS 121 Ca 0.60 -0.77 -0.10 0.00 0.02 0.00 0.00 55.97 55.72 2wdj s LYS 121 Cb -0.27 -3.53 -0.30 0.00 -0.52 0.00 0.00 37.83 33.21 2wdj s LYS 121 CO 0.33 -0.44 1.99 -2.30 -0.92 0.00 0.00 175.35 174.02 2wdj n PRO 122 N 4.96 0.00 -3.61 -1.68 -0.02 -1.18 -4.78 135.00 128.68 2wdj n PRO 122 Ca -0.14 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.24 2wdj n PRO 122 Cb 0.49 -0.94 -0.06 0.00 -0.02 0.00 0.00 33.50 32.96 2wdj n PRO 122 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2wdj s LEU 123 N 0.58 -0.46 -0.02 2.45 0.05 -1.21 -4.83 118.68 115.25 2wdj s LEU 123 Ca 1.20 0.77 -0.30 0.00 0.05 0.00 0.00 54.13 55.85 2wdj s LEU 123 Cb -0.80 1.97 -0.06 0.00 -2.05 0.00 0.00 46.19 45.25 2wdj s LEU 123 CO 0.51 -0.24 1.57 -0.75 -0.55 0.00 0.00 176.35 176.89 2wdj s LYS 124 N -0.24 4.21 -0.05 1.48 2.20 -1.26 -3.61 119.74 122.47 2wdj s LYS 124 Ca 0.01 2.13 0.06 0.00 -0.36 0.00 0.00 55.97 57.81 2wdj s LYS 124 Cb -0.03 -3.78 -0.01 0.00 -1.51 0.00 0.00 37.83 32.49 2wdj s LYS 124 CO -0.02 -0.74 -0.23 0.14 -0.36 0.00 0.00 175.35 174.13 2wdj s VAL 125 N 3.28 2.22 -0.27 4.02 -7.23 -1.26 -2.65 120.40 118.52 2wdj s VAL 125 Ca 0.70 -1.01 -0.05 0.00 -1.81 0.00 0.00 61.98 59.81 2wdj s VAL 125 Cb -0.34 -1.81 0.01 0.00 0.56 0.00 0.00 36.38 34.80 2wdj s VAL 125 CO 0.28 0.57 0.01 -0.69 -0.31 0.00 0.00 175.10 174.97 2wdj s VAL 126 N -0.27 3.50 0.28 1.32 1.01 -0.32 -3.50 120.40 122.42 2wdj s VAL 126 Ca -0.00 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.24 2wdj s VAL 126 Cb -0.13 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 2wdj s VAL 126 CO 0.03 0.18 0.11 0.00 0.00 0.00 0.00 175.10 175.42 2wdj n ALA 127 N 4.79 0.41 0.49 5.51 0.00 -0.65 -3.79 120.51 127.25 2wdj n ALA 127 Ca -0.16 -1.43 0.05 0.00 0.00 0.00 0.00 53.44 51.90 2wdj n ALA 127 Cb 0.48 0.98 0.00 0.00 0.00 0.00 0.00 19.45 20.92 2wdj n ALA 127 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wdj n HIS 128 N -0.62 0.00 -3.58 0.00 -0.00 0.09 -4.06 115.22 107.06 2wdj n HIS 128 Ca -0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.60 2wdj n HIS 128 Cb 0.42 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.37 2wdj n HIS 128 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2wdj s ALA 129 N -1.41 -1.96 0.02 -1.41 0.00 -1.07 -4.70 121.76 111.23 2wdj s ALA 129 Ca 0.09 1.57 0.01 0.00 0.00 0.00 0.00 51.96 53.64 2wdj s ALA 129 Cb 0.09 -0.67 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 2wdj s ALA 129 CO 0.27 -0.36 -0.04 -0.06 0.00 0.00 0.00 175.76 175.57 2wdj s PHE 130 N -1.38 0.38 0.15 0.00 0.08 -1.26 -2.06 117.98 113.89 2wdj s PHE 130 Ca 0.01 -0.28 -0.28 0.00 0.12 0.00 0.00 56.93 56.49 2wdj s PHE 130 Cb -0.01 -0.24 -0.07 0.00 -0.57 0.00 0.00 43.02 42.13 2wdj s PHE 130 CO -0.01 -0.07 0.89 -1.54 -0.10 0.00 0.00 175.22 174.39 2wdj s SER 131 N -0.80 7.48 0.42 1.36 1.04 -1.19 -4.88 113.70 117.13 2wdj s SER 131 Ca -0.06 1.76 0.30 0.00 0.48 0.00 0.00 55.95 58.43 2wdj s SER 131 Cb -0.06 -2.56 1.46 0.00 0.10 0.00 0.00 66.02 64.97 2wdj s SER 131 CO -0.00 0.07 1.57 0.29 0.98 0.00 0.00 173.24 176.15 2wdj n LYS 132 N 2.14 -0.04 0.15 4.02 5.02 -1.26 0.08 118.16 128.27 2wdj n LYS 132 Ca -0.01 1.29 -0.13 0.00 -2.02 0.00 0.00 58.31 57.43 2wdj n LYS 132 Cb 0.49 -2.48 -0.08 0.00 -0.02 0.00 0.00 35.03 32.93 2wdj n LYS 132 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2wdj h SER 133 N 0.00 -0.34 0.23 4.39 0.87 -1.96 -2.94 113.55 113.81 2wdj h SER 133 Ca 0.88 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 61.27 2wdj h SER 133 Cb 2.71 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 64.75 2wdj h SER 133 CO -0.54 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 175.76 2wdj h ALA 134 N -0.12 1.00 -0.33 6.23 0.00 -0.62 0.17 119.26 125.59 2wdj h ALA 134 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 2wdj h ALA 134 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2wdj h ALA 134 CO 0.07 0.00 -0.42 1.25 0.00 0.00 0.00 179.25 180.15 2wdj h LEU 135 N 0.00 0.87 0.36 0.00 7.12 -0.99 -2.63 115.31 120.05 2wdj h LEU 135 Ca 0.00 -0.41 -0.02 0.00 0.13 0.00 0.00 57.88 57.58 2wdj h LEU 135 Cb 0.12 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 40.00 2wdj h LEU 135 CO 0.00 1.17 -0.17 -0.33 -0.13 0.00 0.00 178.44 178.98 2wdj h GLU 136 N 0.66 -0.47 -1.09 1.25 4.39 -0.61 0.19 114.58 118.89 2wdj h GLU 136 Ca 0.05 0.03 0.31 0.00 0.34 0.00 0.00 59.36 60.09 2wdj h GLU 136 Cb 0.99 0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 29.69 2wdj h GLU 136 CO 0.09 -0.31 0.76 0.87 -1.16 0.00 0.00 179.01 179.26 2wdj h LYS 137 N -0.79 0.11 0.00 2.33 1.57 -1.59 0.39 116.57 118.59 2wdj h LYS 137 Ca -0.05 -0.01 -0.23 0.00 -1.87 0.00 0.00 60.65 58.50 2wdj h LYS 137 Cb 0.37 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 2wdj h LYS 137 CO 0.08 0.07 -1.34 1.25 -0.57 0.00 0.00 179.45 178.95 2wdj h LEU 138 N 0.11 0.00 -0.97 2.94 5.85 -1.47 -3.33 115.31 118.44 2wdj h LEU 138 Ca 0.55 0.00 0.27 0.00 0.84 0.00 0.00 57.88 59.53 2wdj h LEU 138 Cb 1.95 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 42.85 2wdj h LEU 138 CO -0.09 0.87 0.52 0.50 -0.34 0.00 0.00 178.44 179.91 2wdj h LYS 139 N 0.00 0.43 -3.00 1.25 3.64 0.30 -2.12 116.57 117.07 2wdj h LYS 139 Ca -0.16 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.01 2wdj h LYS 139 Cb 1.81 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.52 2wdj h LYS 139 CO 0.09 0.28 1.12 0.00 -2.27 0.00 0.00 179.45 178.67 2wdj n ALA 140 N -2.37 3.76 -0.36 5.00 0.00 -1.16 -4.40 120.51 120.98 2wdj n ALA 140 Ca 0.27 -1.22 0.00 0.00 0.00 0.00 0.00 53.44 52.50 2wdj n ALA 140 Cb 0.80 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.68 2wdj n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdj n ALA 141 N 3.49 -0.81 0.00 0.00 0.00 -0.81 -4.64 120.51 117.74 2wdj n ALA 141 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2wdj n ALA 141 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 2wdj n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdj n GLY 142 N 1.21 -0.91 3.26 0.00 0.00 -1.15 -3.09 105.19 104.52 2wdj n GLY 142 Ca 0.00 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 2wdj n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wdj s GLY 143 N 0.00 -0.12 -0.27 -0.02 0.00 -1.24 -4.39 107.32 101.28 2wdj s GLY 143 Ca 0.00 -0.17 0.09 0.00 0.00 0.00 0.00 44.72 44.63 2wdj s GLY 143 CO 0.00 -0.40 1.19 -2.21 0.00 0.00 0.00 173.10 171.68 2wdj n GLU 144 N 0.11 3.12 -1.74 2.90 2.13 -1.26 -4.35 120.64 121.54 2wdj n GLU 144 Ca -0.17 -3.96 -0.39 0.00 0.66 0.00 0.00 57.16 53.30 2wdj n GLU 144 Cb 0.62 -2.10 -0.03 0.00 0.27 0.00 0.00 31.44 30.20 2wdj n GLU 144 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 2wdj s PRO 145 N -3.50 2.63 0.00 5.31 0.02 -1.23 -4.85 135.00 133.38 2wdj s PRO 145 Ca 0.47 1.38 0.00 0.00 0.02 0.00 0.00 61.00 62.87 2wdj s PRO 145 Cb 0.40 -4.43 0.00 0.00 0.02 0.00 0.00 34.50 30.48 2wdj s PRO 145 CO 0.01 -2.68 0.00 1.55 -0.33 0.00 0.00 177.00 175.55 2wdj n VAL 146 N 7.69 0.00 0.00 3.83 3.14 -1.26 -1.64 118.33 130.09 2wdj n VAL 146 Ca 0.29 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.67 2wdj n VAL 146 Cb 0.51 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.29 2wdj n VAL 146 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 2wdj n LEU 147 N 0.00 0.00 0.00 6.55 7.94 -1.26 -4.65 117.00 125.58 2wdj n LEU 147 Ca 0.00 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.02 2wdj n LEU 147 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 2wdj n LEU 147 CO 0.00 0.00 -0.16 0.18 -1.11 0.00 0.00 177.39 176.30 2wdj n LEU 148 N 0.00 0.00 -0.83 -1.96 4.77 -1.26 -4.81 117.00 112.91 2wdj n LEU 148 Ca 0.00 0.96 0.00 0.00 -0.03 0.00 0.00 56.01 56.94 2wdj n LEU 148 Cb 0.00 -2.82 0.00 0.00 -2.33 0.00 0.00 43.42 38.27 2wdj n LEU 148 CO 0.00 -1.90 -0.15 -0.62 -1.33 0.00 0.00 177.39 173.39 2wdj n GLU 149 N -2.93 -1.70 0.00 3.23 -0.58 -1.26 -5.11 120.64 112.29 2wdj n GLU 149 Ca 0.01 1.42 0.00 0.00 -0.42 0.00 0.00 57.16 58.17 2wdj n GLU 149 Cb 0.41 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 29.97 2wdj n GLU 149 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65