#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdx s LEU 27 N 0.00 2.30 0.65 0.00 1.43 -1.26 -5.12 118.68 116.68 2wdx s LEU 27 Ca 0.00 -0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 52.46 2wdx s LEU 27 Cb 0.00 -1.38 -0.00 0.00 0.03 0.00 0.00 46.19 44.84 2wdx s LEU 27 CO 0.00 0.28 1.13 -2.84 0.23 0.00 0.00 176.35 175.15 2wdx s PRO 28 N -1.09 2.78 0.71 1.29 0.02 -1.26 -4.99 135.00 132.46 2wdx s PRO 28 Ca 0.12 1.50 -0.13 0.00 0.02 0.00 0.00 61.00 62.52 2wdx s PRO 28 Cb -0.10 -1.94 0.03 0.00 0.02 0.00 0.00 34.50 32.51 2wdx s PRO 28 CO 0.02 -1.28 1.09 -1.25 -0.33 0.00 0.00 177.00 175.25 2wdx s PRO 29 N -3.91 2.58 0.10 5.54 0.04 -1.26 -4.95 135.00 133.14 2wdx s PRO 29 Ca 0.69 1.24 -0.34 0.00 0.04 0.00 0.00 61.00 62.64 2wdx s PRO 29 Cb -0.23 -1.93 -0.13 0.00 0.04 0.00 0.00 34.50 32.25 2wdx s PRO 29 CO 0.39 -1.40 1.66 0.00 0.04 0.00 0.00 177.00 177.70 2wdx n ALA 30 N -2.97 1.31 -1.77 8.56 0.00 -1.26 -4.92 120.51 119.45 2wdx n ALA 30 Ca 0.09 0.40 -0.13 0.00 0.00 0.00 0.00 53.44 53.80 2wdx n ALA 30 Cb 0.53 -2.40 0.11 0.00 0.00 0.00 0.00 19.45 17.69 2wdx n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdx n GLY 31 N 3.69 -0.88 3.78 0.00 0.00 -1.26 -3.52 105.19 107.01 2wdx n GLY 31 Ca 0.18 -1.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.05 2wdx n GLY 31 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wdx s PRO 32 N -4.59 4.48 -0.09 1.61 0.04 -1.26 -4.49 135.00 130.70 2wdx s PRO 32 Ca 0.44 1.06 0.03 0.00 0.04 0.00 0.00 61.00 62.57 2wdx s PRO 32 Cb -0.01 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 31.28 2wdx s PRO 32 CO 0.31 0.59 -0.17 0.54 0.04 0.00 0.00 177.00 178.30 2wdx s VAL 33 N -1.13 1.55 -0.43 -0.36 0.11 -0.37 -5.00 120.40 114.77 2wdx s VAL 33 Ca 0.34 -0.71 -0.19 0.00 -2.93 0.00 0.00 61.98 58.50 2wdx s VAL 33 Cb -0.22 -1.38 0.02 0.00 -1.53 0.00 0.00 36.38 33.27 2wdx s VAL 33 CO 0.24 0.45 0.53 -0.75 -3.33 0.00 0.00 175.10 172.24 2wdx s LYS 34 N 0.63 3.17 -0.50 1.54 2.20 -1.26 -0.64 119.74 124.87 2wdx s LYS 34 Ca -0.14 -0.61 -0.16 0.00 -0.36 0.00 0.00 55.97 54.70 2wdx s LYS 34 Cb -0.16 -3.97 0.10 0.00 -1.51 0.00 0.00 37.83 32.29 2wdx s LYS 34 CO 0.04 -0.93 0.45 0.08 -0.36 0.00 0.00 175.35 174.63 2wdx s VAL 35 N 2.43 5.21 0.58 4.02 1.01 0.83 -4.93 120.40 129.55 2wdx s VAL 35 Ca 0.16 -1.25 -0.05 0.00 0.00 0.00 0.00 61.98 60.84 2wdx s VAL 35 Cb -0.16 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 32.00 2wdx s VAL 35 CO 0.16 -0.72 0.87 0.42 0.00 0.00 0.00 175.10 175.83 2wdx s THR 36 N 1.65 3.61 0.64 3.92 -4.23 -1.26 -1.52 115.64 118.46 2wdx s THR 36 Ca 0.04 -0.10 0.35 0.00 -1.18 0.00 0.00 61.69 60.80 2wdx s THR 36 Cb -0.27 -3.42 0.37 0.00 1.34 0.00 0.00 72.50 70.52 2wdx s THR 36 CO 0.05 -0.41 2.14 -0.65 -0.54 0.00 0.00 174.62 175.20 2wdx h PRO 37 N -0.11 0.00 0.00 3.99 0.11 -1.88 -0.85 132.00 133.26 2wdx h PRO 37 Ca -0.45 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 2wdx h PRO 37 Cb 1.26 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 2wdx h PRO 37 CO 0.60 0.00 -0.37 0.38 -0.21 0.00 0.00 178.00 178.40 2wdx h ASP 38 N 0.00 0.00 -3.53 -2.05 -0.00 -1.97 -3.46 116.42 105.42 2wdx h ASP 38 Ca 0.03 0.00 -0.52 0.00 -0.00 0.00 0.00 57.03 56.54 2wdx h ASP 38 Cb 0.38 0.00 0.02 0.00 -0.00 0.00 0.00 39.33 39.73 2wdx h ASP 38 CO -0.00 0.11 0.54 -0.62 -0.00 0.00 0.00 179.24 179.27 2wdx s ASP 39 N -6.05 7.13 0.65 4.15 -1.08 -0.32 -4.91 116.67 116.23 2wdx s ASP 39 Ca 0.04 2.22 0.31 0.00 -0.52 0.00 0.00 52.55 54.60 2wdx s ASP 39 Cb 0.07 -2.61 1.71 0.00 -1.46 0.00 0.00 42.92 40.63 2wdx s ASP 39 CO 0.72 -0.33 1.99 1.55 0.52 0.00 0.00 175.17 179.62 2wdx h PRO 40 N 5.09 0.00 0.00 4.34 0.13 -1.89 -1.66 132.00 138.00 2wdx h PRO 40 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2wdx h PRO 40 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2wdx h PRO 40 CO 0.73 0.00 -0.32 0.54 -0.23 0.00 0.00 178.00 178.72 2wdx n ARG 41 N -3.15 0.18 -0.10 0.86 1.74 -1.26 -4.47 116.66 110.46 2wdx n ARG 41 Ca -0.00 0.09 -0.07 0.00 -0.77 0.00 0.00 57.85 57.10 2wdx n ARG 41 Cb 0.38 -1.65 0.01 0.00 -1.02 0.00 0.00 32.46 30.17 2wdx n ARG 41 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 2wdx h TYR 42 N 0.00 0.23 -0.40 -1.55 3.20 -1.55 -2.80 116.97 114.11 2wdx h TYR 42 Ca 0.00 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.74 2wdx h TYR 42 Cb 0.66 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 2wdx h TYR 42 CO 0.00 0.10 -0.30 -0.07 -1.64 0.00 0.00 178.16 176.25 2wdx h LEU 43 N 0.28 0.96 -0.10 2.82 3.38 -1.81 0.51 115.31 121.36 2wdx h LEU 43 Ca 0.15 -0.44 0.04 0.00 0.09 0.00 0.00 57.88 57.72 2wdx h LEU 43 Cb 0.11 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 2wdx h LEU 43 CO -0.15 1.20 -0.26 0.78 0.09 0.00 0.00 178.44 180.10 2wdx h ASN 44 N 0.73 -0.81 -0.54 -0.43 4.21 -1.82 -1.53 115.58 115.40 2wdx h ASN 44 Ca 0.08 0.12 -0.06 0.00 1.21 0.00 0.00 56.30 57.65 2wdx h ASN 44 Cb 0.89 0.35 -0.02 0.00 -1.12 0.00 0.00 38.32 38.41 2wdx h ASN 44 CO 0.08 -0.32 0.12 -0.07 -1.29 0.00 0.00 177.43 175.95 2wdx h LEU 45 N -0.35 0.84 -1.71 1.61 -0.00 -1.40 -2.89 115.31 111.42 2wdx h LEU 45 Ca 0.09 -0.24 0.03 0.00 -0.00 0.00 0.00 57.88 57.76 2wdx h LEU 45 Cb 0.48 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 40.90 2wdx h LEU 45 CO -0.30 0.87 0.25 0.50 -0.00 0.00 0.00 178.44 179.76 2wdx h LYS 46 N 0.78 0.37 -0.56 1.13 3.64 -0.79 -3.13 116.57 118.01 2wdx h LYS 46 Ca 0.17 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 2wdx h LYS 46 Cb 0.36 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2wdx h LYS 46 CO 0.00 0.25 0.00 1.28 -2.27 0.00 0.00 179.45 178.71 2wdx n LEU 47 N -4.48 4.19 -0.16 5.20 4.77 -0.59 -4.64 117.00 121.30 2wdx n LEU 47 Ca 0.04 -2.35 0.12 0.00 -0.03 0.00 0.00 56.01 53.79 2wdx n LEU 47 Cb 0.17 -0.49 0.31 0.00 -2.33 0.00 0.00 43.42 41.07 2wdx n LEU 47 CO 0.35 0.81 0.55 -2.11 -1.33 0.00 0.00 177.39 175.66 2wdx n ARG 48 N 0.91 0.53 -1.66 3.23 1.85 -1.11 -4.81 116.66 115.59 2wdx n ARG 48 Ca 0.22 -0.32 -0.41 0.00 -1.00 0.00 0.00 57.85 56.34 2wdx n ARG 48 Cb 0.76 -1.49 0.01 0.00 -1.05 0.00 0.00 32.46 30.69 2wdx n ARG 48 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wdx n GLY 49 N 1.40 0.20 0.17 2.89 0.00 -1.26 -4.76 105.19 103.83 2wdx n GLY 49 Ca 0.09 0.18 -0.02 0.00 0.00 0.00 0.00 46.02 46.28 2wdx n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdx h ALA 50 N 1.88 1.04 -2.60 4.61 0.00 -1.18 -3.43 119.26 119.57 2wdx h ALA 50 Ca -0.46 -0.48 -0.70 0.00 0.00 0.00 0.00 54.91 53.28 2wdx h ALA 50 Cb 1.31 -0.09 -0.20 0.00 0.00 0.00 0.00 17.79 18.82 2wdx h ALA 50 CO 0.59 0.66 -0.44 1.21 0.00 0.00 0.00 179.25 181.27 2wdx s ASN 51 N -6.88 6.09 0.00 0.00 3.04 -1.26 -4.32 114.94 111.61 2wdx s ASN 51 Ca -0.03 -0.65 0.22 0.00 0.04 0.00 0.00 52.86 52.43 2wdx s ASN 51 Cb 0.13 -2.15 1.04 0.00 -1.54 0.00 0.00 41.25 38.72 2wdx s ASN 51 CO 0.77 -0.35 1.71 -1.54 -3.04 0.00 0.00 177.10 174.65 2wdx n SER 52 N 5.16 0.00 -0.29 -4.21 3.41 -1.26 -2.66 113.62 113.77 2wdx n SER 52 Ca -0.12 0.19 0.05 0.00 -0.26 0.00 0.00 58.87 58.73 2wdx n SER 52 Cb 0.48 -0.37 0.27 0.00 -0.26 0.00 0.00 64.21 64.33 2wdx n SER 52 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2wdx h ARG 53 N 0.00 0.93 -5.55 4.33 3.08 -1.92 -3.43 114.38 111.82 2wdx h ARG 53 Ca 0.00 -0.06 -0.59 0.00 0.07 0.00 0.00 59.98 59.41 2wdx h ARG 53 Cb 0.27 -0.21 -0.10 0.00 0.08 0.00 0.00 29.97 30.02 2wdx h ARG 53 CO 0.00 0.62 -0.28 -0.06 -1.07 0.00 0.00 179.97 179.18 2wdx s PHE 54 N -5.86 3.47 0.04 3.04 2.99 -1.09 -5.08 117.98 115.50 2wdx s PHE 54 Ca -0.11 0.67 0.04 0.00 0.00 0.00 0.00 56.93 57.53 2wdx s PHE 54 Cb 0.20 -2.40 -0.02 0.00 0.00 0.00 0.00 43.02 40.80 2wdx s PHE 54 CO 0.80 0.22 -0.12 -0.80 -0.00 0.00 0.00 175.22 175.31 2wdx s ASN 55 N 0.52 1.39 0.30 1.36 -0.87 -1.24 -4.93 114.94 111.47 2wdx s ASN 55 Ca 0.19 -0.47 0.03 0.00 -1.57 0.00 0.00 52.86 51.04 2wdx s ASN 55 Cb -0.13 -0.06 -0.04 0.00 -0.02 0.00 0.00 41.25 41.00 2wdx s ASN 55 CO 0.05 -0.04 0.16 -0.83 -2.57 0.00 0.00 177.10 173.88 2wdx s GLY 56 N -1.25 2.03 -0.39 0.66 0.00 -1.26 -3.18 107.32 103.92 2wdx s GLY 56 Ca -0.02 -1.76 0.09 0.00 0.00 0.00 0.00 44.72 43.03 2wdx s GLY 56 CO 0.01 -1.58 0.61 1.18 0.00 0.00 0.00 173.10 173.32 2wdx n GLU 57 N -0.57 0.80 -1.57 2.90 4.71 -1.26 -4.96 120.64 120.68 2wdx n GLU 57 Ca 0.01 -3.16 -0.40 0.00 -0.01 0.00 0.00 57.16 53.60 2wdx n GLU 57 Cb 0.65 -1.36 0.03 0.00 -1.01 0.00 0.00 31.44 29.74 2wdx n GLU 57 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 2wdx n PRO 58 N 1.07 0.98 0.23 3.49 -0.04 -1.25 -4.87 135.00 134.62 2wdx n PRO 58 Ca 0.21 0.36 0.10 0.00 -0.04 0.00 0.00 63.50 64.13 2wdx n PRO 58 Cb 0.58 -1.97 0.65 0.00 -0.04 0.00 0.00 33.50 32.72 2wdx n PRO 58 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2wdx h ASP 59 N 0.89 0.00 -4.94 3.54 3.45 -0.38 -3.46 116.42 115.52 2wdx h ASP 59 Ca -0.46 0.00 0.20 0.00 0.43 0.00 0.00 57.03 57.20 2wdx h ASP 59 Cb 1.36 0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 40.00 2wdx h ASP 59 CO 0.53 0.00 0.62 -0.72 -1.57 0.00 0.00 179.24 178.10 2wdx s TYR 60 N -5.05 -0.19 -0.06 4.55 1.13 -1.19 -4.32 117.35 112.22 2wdx s TYR 60 Ca -0.05 0.03 0.04 0.00 -1.41 0.00 0.00 57.07 55.68 2wdx s TYR 60 Cb 0.17 0.56 -0.00 0.00 -1.10 0.00 0.00 41.96 41.59 2wdx s TYR 60 CO 0.67 -0.49 -0.20 0.42 -2.51 0.00 0.00 175.55 173.44 2wdx s ILE 61 N -2.88 1.67 -0.35 -3.49 1.01 -0.57 -2.68 121.20 113.92 2wdx s ILE 61 Ca 0.10 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 2wdx s ILE 61 Cb -0.00 -1.45 0.06 0.00 0.01 0.00 0.00 42.46 41.08 2wdx s ILE 61 CO -0.04 0.47 0.10 -2.28 0.00 0.00 0.00 174.94 173.19 2wdx s HIS 62 N 0.18 3.33 -0.12 3.97 2.46 0.58 -0.12 115.29 125.58 2wdx s HIS 62 Ca -0.10 -1.79 -0.24 0.00 0.47 0.00 0.00 55.06 53.41 2wdx s HIS 62 Cb -0.14 -2.47 -0.03 0.00 -0.13 0.00 0.00 32.58 29.81 2wdx s HIS 62 CO 0.05 -0.82 0.74 -0.51 -2.47 0.00 0.00 174.74 171.73 2wdx s LEU 63 N 1.30 4.24 -0.03 8.88 1.43 0.19 -1.08 118.68 133.60 2wdx s LEU 63 Ca -0.01 1.14 0.04 0.00 -1.03 0.00 0.00 54.13 54.27 2wdx s LEU 63 Cb -0.21 -3.11 -0.00 0.00 0.03 0.00 0.00 46.19 42.90 2wdx s LEU 63 CO -0.00 -0.24 -0.15 0.68 0.23 0.00 0.00 176.35 176.88 2wdx s VAL 64 N 1.42 1.23 -0.36 -1.59 -7.23 -1.20 -1.24 120.40 111.43 2wdx s VAL 64 Ca 0.37 -0.61 0.04 0.00 -1.81 0.00 0.00 61.98 59.96 2wdx s VAL 64 Cb -0.17 -1.06 0.08 0.00 0.56 0.00 0.00 36.38 35.79 2wdx s VAL 64 CO 0.15 0.36 0.94 0.61 -0.31 0.00 0.00 175.10 176.85 2wdx n GLY 65 N 3.13 1.64 3.68 2.32 0.00 -1.23 -4.12 105.19 110.61 2wdx n GLY 65 Ca -0.18 -0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.64 2wdx n GLY 65 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wdx s SER 66 N -0.78 -0.21 0.10 1.61 1.04 -1.26 -4.65 113.70 109.55 2wdx s SER 66 Ca 0.07 -0.67 -0.21 0.00 0.48 0.00 0.00 55.95 55.61 2wdx s SER 66 Cb 0.04 0.64 -0.10 0.00 0.10 0.00 0.00 66.02 66.70 2wdx s SER 66 CO 0.05 -1.20 1.74 0.74 0.98 0.00 0.00 173.24 175.55 2wdx h THR 67 N 2.13 1.05 -0.96 2.02 2.02 -1.96 -2.21 112.91 115.00 2wdx h THR 67 Ca -0.24 -0.11 0.08 0.00 0.77 0.00 0.00 66.41 66.91 2wdx h THR 67 Cb 1.25 0.91 -0.07 0.00 -1.74 0.00 0.00 68.15 68.51 2wdx h THR 67 CO 0.31 0.04 0.62 -0.61 0.37 0.00 0.00 175.52 176.25 2wdx h GLN 68 N 0.14 1.03 -0.54 6.66 5.75 -1.99 -0.45 115.11 125.72 2wdx h GLN 68 Ca 0.04 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.42 2wdx h GLN 68 Cb 0.01 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.30 2wdx h GLN 68 CO -0.01 0.68 0.08 1.96 -2.65 0.00 0.00 178.83 178.89 2wdx h GLN 69 N 1.07 0.86 -0.15 1.69 4.20 -1.89 -1.65 115.11 119.23 2wdx h GLN 69 Ca 0.43 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.93 2wdx h GLN 69 Cb 0.26 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2wdx h GLN 69 CO -0.18 0.81 0.09 0.28 -0.67 0.00 0.00 178.83 179.16 2wdx h VAL 70 N 0.81 1.07 -0.45 -0.54 2.07 -0.59 0.50 116.25 119.11 2wdx h VAL 70 Ca 0.17 -0.16 0.09 0.00 0.82 0.00 0.00 66.70 67.62 2wdx h VAL 70 Cb 0.37 0.90 -0.09 0.00 -1.52 0.00 0.00 31.29 30.96 2wdx h VAL 70 CO 0.01 0.06 -0.13 0.00 0.02 0.00 0.00 177.57 177.53 2wdx h ALA 71 N 1.02 0.27 -0.40 1.67 0.00 -0.99 0.14 119.26 120.97 2wdx h ALA 71 Ca 0.05 0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 2wdx h ALA 71 Cb 0.02 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2wdx h ALA 71 CO -0.01 -0.46 -0.33 -0.44 0.00 0.00 0.00 179.25 178.01 2wdx h ASP 72 N -0.02 0.96 -0.89 0.00 3.32 -1.16 -1.74 116.42 116.90 2wdx h ASP 72 Ca 0.22 -0.41 0.01 0.00 0.02 0.00 0.00 57.03 56.87 2wdx h ASP 72 Cb 0.36 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 2wdx h ASP 72 CO -0.48 1.20 0.59 0.00 -1.72 0.00 0.00 179.24 178.83 2wdx h ALA 73 N 0.85 1.12 -0.30 3.45 0.00 -0.41 -2.32 119.26 121.66 2wdx h ALA 73 Ca 0.08 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 2wdx h ALA 73 Cb 0.91 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2wdx h ALA 73 CO 0.08 0.53 -0.48 0.28 0.00 0.00 0.00 179.25 179.66 2wdx h VAL 74 N 1.20 1.28 -0.06 0.00 2.07 -0.69 -2.74 116.25 117.31 2wdx h VAL 74 Ca 0.32 -1.67 -0.10 0.00 0.82 0.00 0.00 66.70 66.08 2wdx h VAL 74 Cb -0.14 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2wdx h VAL 74 CO -0.07 0.54 -0.43 -0.33 0.02 0.00 0.00 177.57 177.31 2wdx h GLU 75 N 0.63 0.14 -0.66 1.57 5.08 -1.23 -2.48 114.58 117.64 2wdx h GLU 75 Ca 0.02 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2wdx h GLU 75 Cb 1.09 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 2wdx h GLU 75 CO 0.11 0.55 0.14 1.49 -1.00 0.00 0.00 179.01 180.30 2wdx h GLU 76 N 0.12 1.05 0.00 2.33 4.81 -1.18 -1.25 114.58 120.46 2wdx h GLU 76 Ca 0.01 -0.25 -0.04 0.00 -0.13 0.00 0.00 59.36 58.94 2wdx h GLU 76 Cb 0.81 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 2wdx h GLU 76 CO 0.06 0.94 -0.21 1.79 -0.73 0.00 0.00 179.01 180.86 2wdx h THR 77 N 0.99 1.02 -0.09 0.32 1.35 -1.19 -2.23 112.91 113.09 2wdx h THR 77 Ca 0.21 -0.75 -0.03 0.00 -0.55 0.00 0.00 66.41 65.29 2wdx h THR 77 Cb 0.37 1.42 -0.00 0.00 -1.73 0.00 0.00 68.15 68.21 2wdx h THR 77 CO 0.00 0.20 -0.07 0.58 -0.25 0.00 0.00 175.52 175.99 2wdx h VAL 78 N 0.00 1.35 -0.06 6.82 2.07 -1.01 0.11 116.25 125.52 2wdx h VAL 78 Ca -0.00 -1.17 -0.11 0.00 0.82 0.00 0.00 66.70 66.24 2wdx h VAL 78 Cb 0.40 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 2wdx h VAL 78 CO 0.03 0.33 -0.47 0.03 0.02 0.00 0.00 177.57 177.51 2wdx h ARG 79 N -0.21 0.16 0.00 1.57 3.08 -1.09 -2.58 114.38 115.31 2wdx h ARG 79 Ca 0.02 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2wdx h ARG 79 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2wdx h ARG 79 CO 0.02 0.59 -1.09 0.25 -1.07 0.00 0.00 179.97 178.67 2wdx n THR 80 N -3.98 0.19 -1.46 2.04 -2.24 -0.85 -4.98 114.28 103.00 2wdx n THR 80 Ca -0.02 -0.28 -0.09 0.00 -2.27 0.00 0.00 64.05 61.39 2wdx n THR 80 Cb 0.51 0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.87 2wdx n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wdx n GLY 81 N 1.35 0.84 3.70 3.38 0.00 0.31 -5.00 105.19 109.76 2wdx n GLY 81 Ca 0.01 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 45.03 2wdx n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdx s LYS 82 N -3.14 4.37 0.11 1.61 1.02 -0.84 -5.00 119.74 117.88 2wdx s LYS 82 Ca 0.00 0.86 -0.32 0.00 0.02 0.00 0.00 55.97 56.54 2wdx s LYS 82 Cb 0.00 -3.49 -0.11 0.00 -0.52 0.00 0.00 37.83 33.71 2wdx s LYS 82 CO 0.00 -0.06 1.82 -2.13 -0.92 0.00 0.00 175.35 174.06 2wdx n ARG 83 N 4.27 2.71 -4.20 1.68 3.00 -1.26 -4.70 116.66 118.16 2wdx n ARG 83 Ca -0.00 0.98 -0.31 0.00 -0.00 0.00 0.00 57.85 58.52 2wdx n ARG 83 Cb 0.51 -2.87 -0.09 0.00 0.00 0.00 0.00 32.46 30.01 2wdx n ARG 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2wdx s VAL 84 N 2.64 3.94 -0.00 5.15 0.11 -1.26 -0.02 120.40 130.97 2wdx s VAL 84 Ca 0.82 -0.92 -0.02 0.00 -2.93 0.00 0.00 61.98 58.93 2wdx s VAL 84 Cb -0.51 -2.84 -0.01 0.00 -1.53 0.00 0.00 36.38 31.50 2wdx s VAL 84 CO 0.38 0.19 0.04 0.00 -3.33 0.00 0.00 175.10 172.38 2wdx s ALA 85 N -1.23 -0.07 0.08 1.54 0.00 -0.48 -4.76 121.76 116.84 2wdx s ALA 85 Ca 0.23 -0.19 -0.15 0.00 0.00 0.00 0.00 51.96 51.85 2wdx s ALA 85 Cb -0.12 0.04 -0.06 0.00 0.00 0.00 0.00 23.12 22.98 2wdx s ALA 85 CO 0.15 -0.11 0.51 0.08 0.00 0.00 0.00 175.76 176.39 2wdx s VAL 86 N -0.82 4.89 -0.08 0.00 1.01 -1.26 0.04 120.40 124.18 2wdx s VAL 86 Ca -0.09 0.91 0.02 0.00 0.00 0.00 0.00 61.98 62.82 2wdx s VAL 86 Cb -0.06 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.57 2wdx s VAL 86 CO -0.00 0.42 -0.13 -0.60 0.00 0.00 0.00 175.10 174.79 2wdx s ARG 87 N -1.48 1.88 0.00 2.72 3.52 0.37 -4.87 118.95 121.09 2wdx s ARG 87 Ca 0.31 -0.46 0.00 0.00 -0.13 0.00 0.00 55.73 55.45 2wdx s ARG 87 Cb -0.17 -1.57 0.00 0.00 -1.56 0.00 0.00 34.95 31.65 2wdx s ARG 87 CO 0.18 0.00 0.00 0.43 -0.81 0.00 0.00 175.30 175.10 2wdx n SER 88 N 3.95 0.00 0.00 -2.12 7.64 -1.26 -1.25 113.62 120.58 2wdx n SER 88 Ca -0.21 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.79 2wdx n SER 88 Cb 0.52 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.88 2wdx n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wdx n GLY 89 N 3.33 -1.21 2.37 0.23 0.00 -1.26 -4.67 105.19 103.98 2wdx n GLY 89 Ca 0.00 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 2wdx n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdx n GLY 90 N 1.48 1.24 0.42 -0.02 0.00 -1.26 -4.56 105.19 102.50 2wdx n GLY 90 Ca 0.05 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.78 2wdx n GLY 90 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wdx n HIS 91 N -2.76 0.15 -1.69 1.61 8.25 -1.26 -0.66 115.22 118.86 2wdx n HIS 91 Ca -0.14 -0.07 -0.62 0.00 -0.26 0.00 0.00 57.72 56.63 2wdx n HIS 91 Cb 0.46 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.49 2wdx n HIS 91 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wdx n PHE 93 N 3.95 0.87 -4.32 0.00 3.72 -1.26 -4.63 117.46 115.80 2wdx n PHE 93 Ca 0.27 0.31 -0.28 0.00 -0.05 0.00 0.00 57.45 57.69 2wdx n PHE 93 Cb 0.05 -1.00 -0.06 0.00 -0.94 0.00 0.00 39.48 37.53 2wdx n PHE 93 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2wdx s GLU 94 N -3.25 2.20 -0.07 -1.08 0.41 -1.26 -4.92 118.70 110.73 2wdx s GLU 94 Ca 0.06 -2.09 0.00 0.00 -0.41 0.00 0.00 54.97 52.53 2wdx s GLU 94 Cb 0.10 -1.83 0.10 0.00 -1.78 0.00 0.00 34.13 30.71 2wdx s GLU 94 CO 0.47 -0.32 1.24 -0.40 -0.49 0.00 0.00 175.26 175.76 2wdx n ASP 95 N -1.36 3.43 0.04 -0.19 3.85 -1.26 -4.48 116.55 116.57 2wdx n ASP 95 Ca -0.07 -2.28 0.02 0.00 -0.71 0.00 0.00 54.79 51.74 2wdx n ASP 95 Cb 0.65 -0.62 0.38 0.00 -1.35 0.00 0.00 41.12 40.18 2wdx n ASP 95 CO 0.00 0.00 0.00 -0.26 -1.01 0.00 0.00 177.20 175.93 2wdx h PHE 96 N 0.27 0.44 0.00 2.11 0.04 -1.95 -3.30 116.94 114.55 2wdx h PHE 96 Ca 0.09 -0.02 -0.27 0.00 2.80 0.00 0.00 57.97 60.57 2wdx h PHE 96 Cb 1.24 -0.14 -0.05 0.00 2.20 0.00 0.00 35.95 39.21 2wdx h PHE 96 CO 0.26 0.40 -1.99 0.28 -0.60 0.00 0.00 178.31 176.66 2wdx n VAL 97 N -4.36 0.99 -3.18 -0.55 0.31 -1.26 -4.88 118.33 105.40 2wdx n VAL 97 Ca 0.01 -0.34 -0.46 0.00 -0.01 0.00 0.00 64.34 63.55 2wdx n VAL 97 Cb 0.18 -1.31 -0.02 0.00 -0.91 0.00 0.00 33.84 31.78 2wdx n VAL 97 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2wdx s ASP 98 N -5.98 6.80 0.05 4.52 1.01 -1.24 -4.81 116.67 117.02 2wdx s ASP 98 Ca -0.24 -2.61 -0.13 0.00 0.71 0.00 0.00 52.55 50.29 2wdx s ASP 98 Cb 0.07 -2.28 0.02 0.00 1.01 0.00 0.00 42.92 41.74 2wdx s ASP 98 CO 0.37 -0.71 0.29 0.54 0.21 0.00 0.00 175.17 175.87 2wdx s ASN 99 N 2.57 -0.10 0.21 0.27 4.22 -1.19 -3.72 114.94 117.20 2wdx s ASN 99 Ca 0.26 -0.24 0.13 0.00 -2.14 0.00 0.00 52.86 50.87 2wdx s ASN 99 Cb -0.08 0.35 0.73 0.00 1.28 0.00 0.00 41.25 43.54 2wdx s ASN 99 CO -0.08 -0.62 1.40 -2.65 -2.04 0.00 0.00 177.10 173.11 2wdx n PRO 100 N 0.54 0.09 0.05 3.55 -0.02 -1.26 -2.47 135.00 135.48 2wdx n PRO 100 Ca -0.18 0.58 0.11 0.00 -2.02 0.00 0.00 63.50 61.99 2wdx n PRO 100 Cb 0.60 -1.81 -0.02 0.00 -0.02 0.00 0.00 33.50 32.24 2wdx n PRO 100 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2wdx n ASP 101 N -1.97 0.57 -4.68 2.55 10.43 -1.26 -4.84 116.55 117.34 2wdx n ASP 101 Ca -0.01 0.04 -0.42 0.00 2.57 0.00 0.00 54.79 56.97 2wdx n ASP 101 Cb 0.05 0.92 -0.03 0.00 1.84 0.00 0.00 41.12 43.90 2wdx n ASP 101 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2wdx s VAL 102 N -3.33 3.94 -0.11 2.53 1.01 -1.03 -4.61 120.40 118.80 2wdx s VAL 102 Ca -0.00 1.28 0.11 0.00 0.00 0.00 0.00 61.98 63.36 2wdx s VAL 102 Cb 0.12 -3.82 -0.15 0.00 0.00 0.00 0.00 36.38 32.54 2wdx s VAL 102 CO 0.82 -0.02 0.05 0.29 0.00 0.00 0.00 175.10 176.24 2wdx n LYS 103 N 5.57 2.02 -4.74 2.72 4.01 0.98 -3.95 118.16 124.76 2wdx n LYS 103 Ca 0.13 -0.01 -0.30 0.00 -0.51 0.00 0.00 58.31 57.62 2wdx n LYS 103 Cb 0.45 -1.30 -0.17 0.00 -0.51 0.00 0.00 35.03 33.50 2wdx n LYS 103 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2wdx s VAL 104 N -2.31 1.72 -0.23 -0.18 1.01 -0.70 0.33 120.40 120.04 2wdx s VAL 104 Ca -0.06 -0.80 -0.12 0.00 0.00 0.00 0.00 61.98 61.00 2wdx s VAL 104 Cb 0.04 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 2wdx s VAL 104 CO 0.48 0.48 0.25 -0.63 0.00 0.00 0.00 175.10 175.69 2wdx s ILE 105 N 0.71 5.30 -0.45 2.22 1.09 -1.09 -1.39 121.20 127.59 2wdx s ILE 105 Ca -0.12 0.37 -0.22 0.00 -1.10 0.00 0.00 60.65 59.59 2wdx s ILE 105 Cb -0.16 -3.59 0.03 0.00 -1.06 0.00 0.00 42.46 37.68 2wdx s ILE 105 CO 0.02 0.31 0.72 -0.63 -0.10 0.00 0.00 174.94 175.26 2wdx s ILE 106 N 1.17 4.73 -0.25 2.92 1.01 0.11 -0.30 121.20 130.59 2wdx s ILE 106 Ca 0.12 0.24 -0.12 0.00 0.00 0.00 0.00 60.65 60.88 2wdx s ILE 106 Cb -0.14 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 38.01 2wdx s ILE 106 CO 0.06 -0.68 0.23 -0.62 0.00 0.00 0.00 174.94 173.93 2wdx s ASP 107 N 2.12 6.17 -0.03 3.58 -1.08 -0.24 -0.48 116.67 126.70 2wdx s ASP 107 Ca 0.26 0.17 0.17 0.00 -0.52 0.00 0.00 52.55 52.63 2wdx s ASP 107 Cb -0.13 -2.14 0.55 0.00 -1.46 0.00 0.00 42.92 39.73 2wdx s ASP 107 CO 0.20 -0.01 1.45 0.23 0.52 0.00 0.00 175.17 177.56 2wdx n MET 108 N 4.60 2.67 -0.35 4.34 2.81 -0.38 -3.23 117.12 127.58 2wdx n MET 108 Ca -0.13 -2.20 0.34 0.00 -1.81 0.00 0.00 57.70 53.90 2wdx n MET 108 Cb 0.52 -1.57 0.72 0.00 -0.71 0.00 0.00 33.22 32.17 2wdx n MET 108 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 2wdx h SER 109 N 3.42 0.08 0.70 7.83 0.02 -1.83 -0.88 113.55 122.90 2wdx h SER 109 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2wdx h SER 109 Cb 0.95 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.49 2wdx h SER 109 CO 0.07 0.01 -0.53 0.18 -1.14 0.00 0.00 176.83 175.41 2wdx n LEU 110 N -4.25 0.56 -4.43 5.07 4.77 -1.26 -4.61 117.00 112.84 2wdx n LEU 110 Ca 0.27 0.14 -0.44 0.00 -0.03 0.00 0.00 56.01 55.95 2wdx n LEU 110 Cb 1.24 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 42.08 2wdx n LEU 110 CO 0.38 0.03 0.98 -0.76 -1.33 0.00 0.00 177.39 176.69 2wdx s LEU 111 N -3.58 5.36 -0.06 2.23 1.43 -0.33 -4.82 118.68 118.90 2wdx s LEU 111 Ca 0.09 -2.40 0.09 0.00 -1.03 0.00 0.00 54.13 50.88 2wdx s LEU 111 Cb 0.16 -2.36 0.14 0.00 0.03 0.00 0.00 46.19 44.15 2wdx s LEU 111 CO 0.70 -0.89 1.02 0.35 0.23 0.00 0.00 176.35 177.76 2wdx n THR 112 N 4.97 1.13 -1.68 5.49 -2.24 -1.26 -0.27 114.28 120.41 2wdx n THR 112 Ca 0.25 -1.31 -0.44 0.00 -2.27 0.00 0.00 64.05 60.28 2wdx n THR 112 Cb 0.47 0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.88 2wdx n THR 112 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2wdx n GLU 113 N -0.80 2.16 -3.79 -0.78 4.07 -1.26 -4.80 120.64 115.45 2wdx n GLU 113 Ca 0.07 0.77 -0.28 0.00 -0.06 0.00 0.00 57.16 57.67 2wdx n GLU 113 Cb 0.54 -2.46 -0.16 0.00 -0.06 0.00 0.00 31.44 29.30 2wdx n GLU 113 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2wdx s ILE 114 N 0.09 0.77 -0.02 6.31 1.01 -1.26 -1.37 121.20 126.74 2wdx s ILE 114 Ca 0.69 -0.65 -0.19 0.00 0.00 0.00 0.00 60.65 60.50 2wdx s ILE 114 Cb -0.63 -1.18 0.04 0.00 0.01 0.00 0.00 42.46 40.70 2wdx s ILE 114 CO 0.48 -0.12 0.41 0.00 0.00 0.00 0.00 174.94 175.71 2wdx s ALA 115 N 1.75 -1.05 0.14 9.38 0.00 -0.34 -5.00 121.76 126.64 2wdx s ALA 115 Ca -0.01 0.56 -0.31 0.00 0.00 0.00 0.00 51.96 52.20 2wdx s ALA 115 Cb -0.17 0.09 -0.09 0.00 0.00 0.00 0.00 23.12 22.96 2wdx s ALA 115 CO -0.07 -0.31 1.46 -0.47 0.00 0.00 0.00 175.76 176.36 2wdx s TYR 116 N -1.45 3.17 -0.38 0.00 5.04 -1.26 -0.15 117.35 122.33 2wdx s TYR 116 Ca -0.12 0.84 -0.04 0.00 -2.44 0.00 0.00 57.07 55.31 2wdx s TYR 116 Cb -0.03 -3.78 0.08 0.00 0.35 0.00 0.00 41.96 38.58 2wdx s TYR 116 CO 0.05 -2.78 0.15 0.34 -1.34 0.00 0.00 175.55 171.97 2wdx s ASP 117 N 1.08 5.22 0.19 4.32 3.68 -0.10 -4.87 116.67 126.19 2wdx s ASP 117 Ca 0.66 -1.67 -0.12 0.00 2.13 0.00 0.00 52.55 53.55 2wdx s ASP 117 Cb -0.40 -1.83 0.18 0.00 -1.45 0.00 0.00 42.92 39.42 2wdx s ASP 117 CO 0.31 -0.45 1.75 -0.65 0.13 0.00 0.00 175.17 176.27 2wdx h PRO 118 N 8.10 0.37 0.00 4.34 0.11 -1.95 1.00 132.00 143.98 2wdx h PRO 118 Ca -0.17 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.89 2wdx h PRO 118 Cb 1.06 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 2wdx h PRO 118 CO 0.65 0.25 -0.12 0.66 -0.21 0.00 0.00 178.00 179.23 2wdx h SER 119 N 0.38 0.00 -0.01 -2.05 4.64 -1.95 -2.45 113.55 112.11 2wdx h SER 119 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2wdx h SER 119 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2wdx h SER 119 CO -0.24 0.12 -0.27 0.23 -0.87 0.00 0.00 176.83 175.81 2wdx n MET 120 N -4.33 1.74 -4.27 4.77 2.81 -1.10 -5.00 117.12 111.74 2wdx n MET 120 Ca -0.03 -0.80 -0.32 0.00 -1.81 0.00 0.00 57.70 54.75 2wdx n MET 120 Cb 0.20 -1.22 -0.08 0.00 -0.71 0.00 0.00 33.22 31.41 2wdx n MET 120 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2wdx n ASN 121 N -0.08 0.03 -3.84 7.83 4.05 0.33 -4.93 115.26 118.65 2wdx n ASN 121 Ca 0.06 -1.20 -0.09 0.00 0.45 0.00 0.00 54.58 53.80 2wdx n ASN 121 Cb 0.30 -1.98 -0.05 0.00 1.23 0.00 0.00 39.78 39.29 2wdx n ASN 121 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2wdx s ALA 122 N -4.07 -0.58 -0.34 5.20 0.00 -1.13 -4.96 121.76 115.88 2wdx s ALA 122 Ca 0.17 -0.50 -0.22 0.00 0.00 0.00 0.00 51.96 51.40 2wdx s ALA 122 Cb -0.09 0.88 0.00 0.00 0.00 0.00 0.00 23.12 23.91 2wdx s ALA 122 CO 0.98 -0.77 0.72 -0.06 0.00 0.00 0.00 175.76 176.63 2wdx s PHE 123 N -3.92 3.16 0.09 0.00 0.40 -0.26 -0.92 117.98 116.53 2wdx s PHE 123 Ca 0.13 0.56 -0.31 0.00 -0.60 0.00 0.00 56.93 56.71 2wdx s PHE 123 Cb 0.00 -3.23 -0.07 0.00 0.51 0.00 0.00 43.02 40.24 2wdx s PHE 123 CO -0.00 -0.63 1.28 -1.17 0.70 0.00 0.00 175.22 175.40 2wdx s LEU 124 N 2.89 4.37 -0.20 -0.37 0.20 0.79 -0.35 118.68 126.01 2wdx s LEU 124 Ca 0.29 2.16 -0.03 0.00 0.69 0.00 0.00 54.13 57.24 2wdx s LEU 124 Cb -0.14 -3.58 0.06 0.00 -0.43 0.00 0.00 46.19 42.10 2wdx s LEU 124 CO 0.15 -0.54 0.06 -0.63 -0.29 0.00 0.00 176.35 175.09 2wdx s ILE 125 N 1.00 0.40 0.57 6.68 1.01 0.98 -1.20 121.20 130.65 2wdx s ILE 125 Ca 0.61 -0.56 -0.17 0.00 0.00 0.00 0.00 60.65 60.54 2wdx s ILE 125 Cb -0.33 -0.99 -0.05 0.00 0.01 0.00 0.00 42.46 41.11 2wdx s ILE 125 CO 0.30 -0.29 1.05 -1.61 0.00 0.00 0.00 174.94 174.40 2wdx s GLU 126 N 1.91 3.43 0.60 2.79 2.02 -0.47 -2.08 118.70 126.90 2wdx s GLU 126 Ca 0.01 1.22 0.38 0.00 0.02 0.00 0.00 54.97 56.60 2wdx s GLU 126 Cb -0.17 -2.05 1.84 0.00 0.10 0.00 0.00 34.13 33.86 2wdx s GLU 126 CO -0.11 -0.72 2.16 -1.00 0.02 0.00 0.00 175.26 175.61 2wdx h PRO 127 N 0.66 0.00 0.00 0.39 0.13 -1.75 -3.09 132.00 128.34 2wdx h PRO 127 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2wdx h PRO 127 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2wdx h PRO 127 CO 0.58 0.01 0.00 0.41 -0.23 0.00 0.00 178.00 178.77 2wdx n GLY 128 N -0.52 -1.47 3.76 1.56 0.00 0.63 -2.13 105.19 107.02 2wdx n GLY 128 Ca -0.01 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 2wdx n GLY 128 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wdx s ASN 129 N -3.55 5.62 0.36 1.61 0.01 -1.17 -4.78 114.94 113.03 2wdx s ASN 129 Ca 0.11 2.84 -0.10 0.00 -0.71 0.00 0.00 52.86 55.00 2wdx s ASN 129 Cb 0.15 -2.64 -0.07 0.00 0.41 0.00 0.00 41.25 39.10 2wdx s ASN 129 CO 0.50 -1.34 0.71 -0.89 -1.51 0.00 0.00 177.10 174.57 2wdx s THR 130 N -1.25 4.83 0.19 1.60 2.01 -1.26 -0.65 115.64 121.10 2wdx s THR 130 Ca 0.66 0.54 -0.12 0.00 0.31 0.00 0.00 61.69 63.08 2wdx s THR 130 Cb -0.42 -3.71 0.11 0.00 0.01 0.00 0.00 72.50 68.49 2wdx s THR 130 CO 0.52 -0.41 1.83 -0.07 -0.69 0.00 0.00 174.62 175.80 2wdx h LEU 131 N 1.56 0.79 -0.30 4.42 3.38 -0.92 -2.00 115.31 122.24 2wdx h LEU 131 Ca -0.47 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 57.50 2wdx h LEU 131 Cb 1.18 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.67 2wdx h LEU 131 CO 0.65 0.62 -0.15 0.28 0.09 0.00 0.00 178.44 179.92 2wdx h SER 132 N 0.89 -0.50 -0.93 -0.43 0.02 -1.80 0.69 113.55 111.49 2wdx h SER 132 Ca 0.24 0.12 0.09 0.00 -0.84 0.00 0.00 61.79 61.39 2wdx h SER 132 Cb -0.03 0.27 -0.07 0.00 0.14 0.00 0.00 62.40 62.71 2wdx h SER 132 CO -0.04 -0.19 0.58 -0.33 -1.14 0.00 0.00 176.83 175.71 2wdx h GLU 133 N -0.11 0.95 0.09 3.45 5.08 -1.80 -1.73 114.58 120.51 2wdx h GLU 133 Ca 0.16 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2wdx h GLU 133 Cb 0.34 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2wdx h GLU 133 CO -0.37 0.63 -0.04 0.28 -1.00 0.00 0.00 179.01 178.51 2wdx h VAL 134 N 0.98 1.07 -0.64 3.13 2.07 -0.55 -2.64 116.25 119.67 2wdx h VAL 134 Ca 0.44 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.44 2wdx h VAL 134 Cb 0.33 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.48 2wdx h VAL 134 CO -0.22 0.14 0.37 1.88 0.02 0.00 0.00 177.57 179.76 2wdx h TYR 135 N -0.37 0.69 -0.14 1.57 0.05 -0.69 -1.88 116.97 116.21 2wdx h TYR 135 Ca -0.01 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 2wdx h TYR 135 Cb 0.31 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 2wdx h TYR 135 CO 0.01 0.37 0.04 0.93 -1.05 0.00 0.00 178.16 178.46 2wdx h GLU 136 N 0.71 0.21 -0.33 4.88 4.39 -1.32 -1.94 114.58 121.19 2wdx h GLU 136 Ca 0.27 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.77 2wdx h GLU 136 Cb 0.10 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2wdx h GLU 136 CO -0.14 0.35 -0.39 -0.22 -1.16 0.00 0.00 179.01 177.45 2wdx h LYS 137 N 0.03 0.80 0.03 2.33 3.11 -1.29 -0.80 116.57 120.78 2wdx h LYS 137 Ca 0.04 -0.42 -0.22 0.00 -2.81 0.00 0.00 60.65 57.25 2wdx h LYS 137 Cb 0.23 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.46 2wdx h LYS 137 CO -0.00 1.05 -0.99 1.25 -2.81 0.00 0.00 179.45 177.95 2wdx h LEU 138 N 0.65 0.25 0.38 5.20 5.85 -1.37 0.20 115.31 126.46 2wdx h LEU 138 Ca 0.05 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 2wdx h LEU 138 Cb 0.96 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.91 2wdx h LEU 138 CO 0.09 1.09 -0.18 0.22 -0.34 0.00 0.00 178.44 179.32 2wdx h TYR 139 N 0.08 -0.47 -0.53 1.25 3.20 -1.13 -1.85 116.97 117.51 2wdx h TYR 139 Ca -0.06 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.74 2wdx h TYR 139 Cb 1.67 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 40.08 2wdx h TYR 139 CO 0.03 -0.14 0.12 -0.07 -1.64 0.00 0.00 178.16 176.46 2wdx h LEU 140 N -0.88 0.82 -0.21 2.82 3.38 -1.09 0.77 115.31 120.92 2wdx h LEU 140 Ca -0.05 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 2wdx h LEU 140 Cb 0.54 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2wdx h LEU 140 CO 0.08 0.85 -0.14 1.23 0.09 0.00 0.00 178.44 180.56 2wdx h GLY 141 N 0.76 0.51 0.00 0.83 0.00 -0.70 -3.40 103.07 101.06 2wdx h GLY 141 Ca 0.17 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2wdx h GLY 141 CO 0.00 0.44 0.00 0.79 0.00 0.00 0.00 176.54 177.77 2wdx n TRP 142 N -4.50 0.00 -3.74 5.60 8.01 -0.91 -5.02 117.44 116.87 2wdx n TRP 142 Ca -0.05 0.00 -0.25 0.00 -1.31 0.00 0.00 57.50 55.90 2wdx n TRP 142 Cb 0.36 0.00 0.04 0.00 -2.01 0.00 0.00 31.31 29.70 2wdx n TRP 142 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 2wdx n ASN 143 N 0.00 -3.31 -4.45 -0.99 5.15 0.26 -4.49 115.26 107.43 2wdx n ASN 143 Ca 0.00 -0.75 -0.25 0.00 -0.60 0.00 0.00 54.58 52.98 2wdx n ASN 143 Cb 0.29 -4.22 -0.10 0.00 -0.53 0.00 0.00 39.78 35.23 2wdx n ASN 143 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2wdx s VAL 144 N -3.46 1.20 0.27 3.44 -7.23 -0.74 -4.28 120.40 109.60 2wdx s VAL 144 Ca 0.33 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.35 2wdx s VAL 144 Cb -0.16 -2.65 0.01 0.00 0.56 0.00 0.00 36.38 34.13 2wdx s VAL 144 CO 0.80 0.00 0.57 0.28 -0.31 0.00 0.00 175.10 176.45 2wdx s THR 145 N -3.12 0.00 0.10 5.32 -1.32 0.41 -2.70 115.64 114.32 2wdx s THR 145 Ca 0.30 -1.26 0.09 0.00 -1.21 0.00 0.00 61.69 59.61 2wdx s THR 145 Cb 0.07 -2.21 -0.03 0.00 -1.51 0.00 0.00 72.50 68.82 2wdx s THR 145 CO 0.14 0.00 -0.24 0.27 -2.21 0.00 0.00 174.62 172.58 2wdx s ILE 146 N -3.83 1.99 -1.49 5.08 -4.36 -1.26 -3.66 121.20 113.67 2wdx s ILE 146 Ca 0.19 -1.56 -0.09 0.00 -0.26 0.00 0.00 60.65 58.93 2wdx s ILE 146 Cb -0.03 -1.76 0.01 0.00 1.25 0.00 0.00 42.46 41.94 2wdx s ILE 146 CO 0.09 0.10 2.60 -0.81 0.24 0.00 0.00 174.94 177.16 2wdx n PRO 147 N 1.22 3.84 -1.25 0.37 -0.04 -1.26 -4.90 135.00 132.98 2wdx n PRO 147 Ca -0.18 -2.74 -0.01 0.00 -0.04 0.00 0.00 63.50 60.53 2wdx n PRO 147 Cb 0.53 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 2wdx n PRO 147 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wdx n GLY 148 N 3.04 2.38 3.54 0.55 0.00 -1.26 -3.65 105.19 109.79 2wdx n GLY 148 Ca 0.67 -2.15 -0.29 0.00 0.00 0.00 0.00 46.02 44.25 2wdx n GLY 148 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wdx s GLY 149 N -1.87 1.59 -0.08 -0.02 0.00 -1.07 -3.59 107.32 102.28 2wdx s GLY 149 Ca 0.01 0.14 -0.26 0.00 0.00 0.00 0.00 44.72 44.61 2wdx s GLY 149 CO 0.01 0.76 0.96 -0.39 0.00 0.00 0.00 173.10 174.43 2wdx h VAL 150 N -2.42 1.62 -1.65 1.40 -1.51 -1.98 -3.48 116.25 108.23 2wdx h VAL 150 Ca -0.56 -2.03 -0.64 0.00 -1.23 0.00 0.00 66.70 62.25 2wdx h VAL 150 Cb 1.31 2.95 0.00 0.00 -2.13 0.00 0.00 31.29 33.42 2wdx h VAL 150 CO 0.47 0.54 1.28 0.00 -1.23 0.00 0.00 177.57 178.63 2wdx h GLY 152 N 11.33 -0.21 0.73 0.00 0.00 -1.95 -2.98 103.07 109.98 2wdx h GLY 152 Ca -0.39 0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2wdx h GLY 152 CO 0.98 -0.21 0.00 0.61 0.00 0.00 0.00 176.54 177.92 2wdx n GLY 153 N -1.40 -0.94 3.73 4.60 0.00 -1.26 -2.72 105.19 107.19 2wdx n GLY 153 Ca 0.00 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 2wdx n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdx s VAL 154 N -2.00 3.25 0.38 1.61 1.01 -1.13 -4.72 120.40 118.80 2wdx s VAL 154 Ca 0.33 1.00 -0.17 0.00 0.00 0.00 0.00 61.98 63.14 2wdx s VAL 154 Cb 0.15 -3.64 -0.10 0.00 0.00 0.00 0.00 36.38 32.79 2wdx s VAL 154 CO 0.25 0.14 0.84 -0.83 0.00 0.00 0.00 175.10 175.50 2wdx s GLY 155 N 0.46 2.31 0.42 4.51 0.00 -1.26 -0.88 107.32 112.88 2wdx s GLY 155 Ca 0.58 0.17 0.10 0.00 0.00 0.00 0.00 44.72 45.57 2wdx s GLY 155 CO 0.37 0.41 1.99 -2.08 0.00 0.00 0.00 173.10 173.79 2wdx h VAL 156 N 1.82 1.13 0.23 1.40 2.07 -0.88 -2.55 116.25 119.48 2wdx h VAL 156 Ca -0.48 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 2wdx h VAL 156 Cb 1.18 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 2wdx h VAL 156 CO 0.63 0.16 -0.39 1.23 0.02 0.00 0.00 177.57 179.22 2wdx h GLY 157 N 0.55 -1.16 1.62 2.17 0.00 -1.68 -2.05 103.07 102.52 2wdx h GLY 157 Ca 0.06 0.57 -0.26 0.00 0.00 0.00 0.00 47.33 47.71 2wdx h GLY 157 CO 0.01 -0.33 -1.15 -1.33 0.00 0.00 0.00 176.54 173.73 2wdx h GLY 158 N -0.67 0.34 0.94 4.60 0.00 -1.88 -3.38 103.07 103.03 2wdx h GLY 158 Ca -0.03 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.52 2wdx h GLY 158 CO -0.14 0.68 -0.06 0.84 0.00 0.00 0.00 176.54 177.86 2wdx h HIS 159 N 0.11 -0.16 -0.04 5.60 -0.00 -1.39 -2.83 115.15 116.43 2wdx h HIS 159 Ca -0.12 -0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 60.13 2wdx h HIS 159 Cb 1.85 0.05 0.01 0.00 -0.00 0.00 0.00 27.41 29.32 2wdx h HIS 159 CO 0.06 -0.05 -0.46 0.82 -0.00 0.00 0.00 177.93 178.31 2wdx h ILE 160 N -0.24 1.43 0.00 6.26 2.04 -1.56 -2.23 117.51 123.21 2wdx h ILE 160 Ca -0.02 -1.90 0.00 0.00 1.00 0.00 0.00 64.86 63.94 2wdx h ILE 160 Cb 0.19 2.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 2wdx h ILE 160 CO 0.03 0.55 0.00 0.00 0.00 0.00 0.00 178.15 178.73 2wdx n GLY 162 N -0.06 0.45 0.46 0.00 0.00 -1.07 -1.27 105.19 103.70 2wdx n GLY 162 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2wdx n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdx n GLY 163 N 1.22 1.20 2.80 -0.02 0.00 -0.76 -3.80 105.19 105.83 2wdx n GLY 163 Ca 0.17 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 2wdx n GLY 163 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdx n GLY 164 N -0.46 -1.03 3.49 -0.02 0.00 -0.84 -4.69 105.19 101.62 2wdx n GLY 164 Ca 0.00 0.39 -0.10 0.00 0.00 0.00 0.00 46.02 46.31 2wdx n GLY 164 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2wdx s TYR 165 N -0.55 -0.04 0.00 1.61 1.13 -1.26 -0.53 117.35 117.72 2wdx s TYR 165 Ca 0.60 -0.31 0.00 0.00 -1.41 0.00 0.00 57.07 55.95 2wdx s TYR 165 Cb -0.85 0.32 0.00 0.00 -1.10 0.00 0.00 41.96 40.33 2wdx s TYR 165 CO 0.46 -0.88 0.00 0.41 -2.51 0.00 0.00 175.55 173.03 2wdx n GLY 166 N -0.32 -0.86 0.28 5.49 0.00 -1.24 -2.59 105.19 105.96 2wdx n GLY 166 Ca -0.10 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.12 2wdx n GLY 166 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wdx h PRO 167 N 0.00 0.00 -0.02 1.61 0.11 -1.90 -0.47 132.00 131.33 2wdx h PRO 167 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2wdx h PRO 167 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2wdx h PRO 167 CO 0.00 0.00 -0.28 1.28 -0.21 0.00 0.00 178.00 178.79 2wdx n LEU 168 N -4.22 1.94 0.12 2.35 4.77 -1.26 -4.60 117.00 116.10 2wdx n LEU 168 Ca -0.02 -0.67 0.04 0.00 -0.03 0.00 0.00 56.01 55.33 2wdx n LEU 168 Cb 0.11 -0.03 0.44 0.00 -2.33 0.00 0.00 43.42 41.61 2wdx n LEU 168 CO 0.31 0.35 0.97 0.28 -1.33 0.00 0.00 177.39 177.96 2wdx h SER 169 N 2.61 0.23 0.39 -1.43 0.02 -1.23 -0.47 113.55 113.67 2wdx h SER 169 Ca 0.00 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.84 2wdx h SER 169 Cb 0.72 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 2wdx h SER 169 CO 0.00 0.31 -0.37 0.03 -1.14 0.00 0.00 176.83 175.65 2wdx h ARG 170 N 0.24 0.00 0.00 3.45 3.08 -1.78 1.83 114.38 121.20 2wdx h ARG 170 Ca 0.06 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.84 2wdx h ARG 170 Cb 0.24 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.24 2wdx h ARG 170 CO 0.01 0.37 -1.61 0.37 -1.07 0.00 0.00 179.97 178.04 2wdx h GLN 171 N 0.00 0.00 0.00 0.04 4.15 -0.72 0.12 115.11 118.70 2wdx h GLN 171 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2wdx h GLN 171 Cb 0.67 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.36 2wdx h GLN 171 CO 0.05 0.49 -0.36 1.19 -1.93 0.00 0.00 178.83 178.26 2wdx n PHE 172 N -3.04 0.00 -0.58 3.99 3.72 -0.26 -4.70 117.46 116.59 2wdx n PHE 172 Ca -0.15 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 2wdx n PHE 172 Cb 1.01 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.55 2wdx n PHE 172 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wdx n GLY 173 N 1.29 -1.75 3.82 1.37 0.00 0.62 -4.82 105.19 105.72 2wdx n GLY 173 Ca 0.00 -1.96 -0.32 0.00 0.00 0.00 0.00 46.02 43.74 2wdx n GLY 173 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wdx s SER 174 N -4.00 5.70 0.43 1.61 0.15 -1.26 -4.10 113.70 112.23 2wdx s SER 174 Ca 0.00 1.66 0.14 0.00 0.70 0.00 0.00 55.95 58.44 2wdx s SER 174 Cb 0.00 -2.51 1.02 0.00 -1.71 0.00 0.00 66.02 62.82 2wdx s SER 174 CO 0.00 -1.23 1.97 1.62 1.20 0.00 0.00 173.24 176.81 2wdx h VAL 175 N -0.17 0.89 0.00 4.45 3.04 -0.90 -1.01 116.25 122.56 2wdx h VAL 175 Ca -0.45 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 2wdx h VAL 175 Cb 1.21 0.43 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 2wdx h VAL 175 CO 0.58 0.08 0.00 -0.37 -1.01 0.00 0.00 177.57 176.85 2wdx h VAL 176 N 0.42 0.00 0.00 1.51 -1.51 -1.83 -1.71 116.25 113.13 2wdx h VAL 176 Ca 0.28 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 2wdx h VAL 176 Cb 0.55 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 31.03 2wdx h VAL 176 CO -0.08 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.73 2wdx n ASP 177 N -2.55 0.00 -0.22 4.19 10.43 -0.38 -1.83 116.55 126.19 2wdx n ASP 177 Ca 0.03 -0.36 0.04 0.00 2.57 0.00 0.00 54.79 57.07 2wdx n ASP 177 Cb 0.32 -0.14 0.08 0.00 1.84 0.00 0.00 41.12 43.22 2wdx n ASP 177 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 2wdx n TYR 178 N -1.14 0.17 -2.81 1.24 4.01 -0.64 -4.67 117.16 113.32 2wdx n TYR 178 Ca 0.13 -0.62 -0.43 0.00 -0.16 0.00 0.00 57.90 56.83 2wdx n TYR 178 Cb 0.12 -0.08 -0.03 0.00 -0.31 0.00 0.00 39.34 39.03 2wdx n TYR 178 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2wdx s LEU 179 N -1.47 4.35 -0.00 7.72 2.96 -0.76 -1.28 118.68 130.20 2wdx s LEU 179 Ca 0.14 -1.29 -0.21 0.00 -0.22 0.00 0.00 54.13 52.55 2wdx s LEU 179 Cb 0.10 -2.44 -0.20 0.00 0.50 0.00 0.00 46.19 44.15 2wdx s LEU 179 CO 0.05 -1.38 1.17 0.22 -1.32 0.00 0.00 176.35 175.08 2wdx h TYR 180 N 9.43 0.43 -3.50 5.38 3.20 -1.62 -3.43 116.97 126.86 2wdx h TYR 180 Ca -0.10 -0.19 -0.06 0.00 3.14 0.00 0.00 58.73 61.52 2wdx h TYR 180 Cb 1.05 -0.06 -0.13 0.00 1.54 0.00 0.00 36.73 39.12 2wdx h TYR 180 CO 1.08 0.93 -0.14 0.00 -1.64 0.00 0.00 178.16 178.39 2wdx s ALA 181 N -3.59 -0.73 -0.02 1.82 0.00 -1.05 -0.62 121.76 117.57 2wdx s ALA 181 Ca -0.14 -0.23 -0.00 0.00 0.00 0.00 0.00 51.96 51.59 2wdx s ALA 181 Cb 0.03 0.67 0.02 0.00 0.00 0.00 0.00 23.12 23.84 2wdx s ALA 181 CO 0.77 -0.63 0.04 0.54 0.00 0.00 0.00 175.76 176.48 2wdx s VAL 182 N -3.83 -0.04 -0.22 0.00 0.11 -0.62 -1.14 120.40 114.67 2wdx s VAL 182 Ca 0.05 0.13 -0.12 0.00 -2.93 0.00 0.00 61.98 59.11 2wdx s VAL 182 Cb 0.02 -0.08 -0.05 0.00 -1.53 0.00 0.00 36.38 34.75 2wdx s VAL 182 CO -0.11 0.05 0.22 -0.70 -3.33 0.00 0.00 175.10 171.24 2wdx s GLU 183 N 0.67 4.13 -0.02 1.54 2.12 -0.21 -0.73 118.70 126.20 2wdx s GLU 183 Ca -0.05 -0.12 0.02 0.00 0.36 0.00 0.00 54.97 55.18 2wdx s GLU 183 Cb -0.08 -3.51 0.00 0.00 0.26 0.00 0.00 34.13 30.81 2wdx s GLU 183 CO -0.02 0.10 -0.09 0.08 -0.54 0.00 0.00 175.26 174.79 2wdx s VAL 184 N 0.93 0.74 -0.27 3.70 1.01 -0.27 -1.31 120.40 124.92 2wdx s VAL 184 Ca 0.11 -0.34 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 2wdx s VAL 184 Cb -0.13 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 2wdx s VAL 184 CO 0.04 0.23 0.50 -0.69 0.00 0.00 0.00 175.10 175.18 2wdx s VAL 185 N 0.14 5.07 0.25 2.92 1.01 0.03 -1.29 120.40 128.54 2wdx s VAL 185 Ca -0.02 0.78 0.11 0.00 0.00 0.00 0.00 61.98 62.85 2wdx s VAL 185 Cb -0.08 -3.84 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 2wdx s VAL 185 CO 0.00 0.05 -0.19 0.68 0.00 0.00 0.00 175.10 175.63 2wdx s VAL 186 N 2.31 2.31 -0.13 2.92 -7.23 -1.00 -1.25 120.40 118.32 2wdx s VAL 186 Ca 0.20 -2.31 -0.01 0.00 -1.81 0.00 0.00 61.98 58.06 2wdx s VAL 186 Cb -0.16 -2.21 -0.02 0.00 0.56 0.00 0.00 36.38 34.55 2wdx s VAL 186 CO 0.10 -0.40 -0.11 -0.69 -0.31 0.00 0.00 175.10 173.69 2wdx s VAL 187 N -2.46 3.24 0.76 1.32 1.01 -1.26 -1.73 120.40 121.27 2wdx s VAL 187 Ca 0.27 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.55 2wdx s VAL 187 Cb -0.05 -2.37 0.17 0.00 0.00 0.00 0.00 36.38 34.13 2wdx s VAL 187 CO 0.13 0.52 1.03 -0.46 0.00 0.00 0.00 175.10 176.32 2wdx n ASN 188 N 3.48 0.40 0.16 3.32 2.04 -0.10 -4.40 115.26 120.16 2wdx n ASN 188 Ca -0.18 -1.57 0.03 0.00 -0.44 0.00 0.00 54.58 52.43 2wdx n ASN 188 Cb 0.53 -0.76 0.42 0.00 -2.53 0.00 0.00 39.78 37.43 2wdx n ASN 188 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 2wdx h LYS 189 N 0.00 0.13 0.00 -3.83 3.64 -1.94 -1.30 116.57 113.27 2wdx h LYS 189 Ca -0.34 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2wdx h LYS 189 Cb 1.00 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 2wdx h LYS 189 CO 0.27 0.32 0.00 1.96 -2.27 0.00 0.00 179.45 179.73 2wdx h GLN 190 N 0.13 0.00 0.00 1.90 7.50 -2.01 -3.47 115.11 119.16 2wdx h GLN 190 Ca 0.02 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.17 2wdx h GLN 190 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.94 2wdx h GLN 190 CO 0.03 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.77 2wdx n GLY 191 N 0.19 0.95 3.73 3.46 0.00 -0.49 -5.08 105.19 107.96 2wdx n GLY 191 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2wdx n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdx s LYS 192 N -0.89 4.38 0.12 1.61 3.01 -1.26 -4.80 119.74 121.91 2wdx s LYS 192 Ca 0.00 0.75 -0.21 0.00 -1.01 0.00 0.00 55.97 55.50 2wdx s LYS 192 Cb 0.00 -3.41 -0.07 0.00 -1.01 0.00 0.00 37.83 33.34 2wdx s LYS 192 CO 0.00 0.19 0.65 0.00 0.51 0.00 0.00 175.35 176.70 2wdx s ALA 193 N 0.40 3.53 0.17 5.17 0.00 -1.26 -0.92 121.76 128.85 2wdx s ALA 193 Ca 0.33 0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.45 2wdx s ALA 193 Cb -0.17 -2.75 -0.05 0.00 0.00 0.00 0.00 23.12 20.15 2wdx s ALA 193 CO 0.16 0.36 -0.00 -0.98 0.00 0.00 0.00 175.76 175.30 2wdx s ARG 194 N -1.27 1.09 -0.08 0.00 1.70 -0.71 -4.99 118.95 114.69 2wdx s ARG 194 Ca 0.33 -1.52 -0.00 0.00 -0.47 0.00 0.00 55.73 54.07 2wdx s ARG 194 Cb -0.20 -0.26 -0.03 0.00 -0.57 0.00 0.00 34.95 33.89 2wdx s ARG 194 CO 0.21 -0.12 -0.03 0.14 -1.08 0.00 0.00 175.30 174.42 2wdx s VAL 195 N -3.66 4.00 -0.10 4.99 -7.23 -1.26 -2.38 120.40 114.76 2wdx s VAL 195 Ca 0.23 -0.37 0.00 0.00 -1.81 0.00 0.00 61.98 60.04 2wdx s VAL 195 Cb 0.06 -2.66 0.02 0.00 0.56 0.00 0.00 36.38 34.36 2wdx s VAL 195 CO 0.03 0.60 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.71 2wdx s ILE 196 N -0.83 1.01 -0.30 -0.62 1.01 -0.41 -4.97 121.20 116.09 2wdx s ILE 196 Ca 0.13 -0.31 -0.15 0.00 0.00 0.00 0.00 60.65 60.32 2wdx s ILE 196 Cb -0.11 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 2wdx s ILE 196 CO 0.02 0.35 0.35 -0.69 0.00 0.00 0.00 174.94 174.97 2wdx s VAL 197 N 1.44 5.18 -0.15 2.92 1.01 -1.26 -1.11 120.40 128.43 2wdx s VAL 197 Ca -0.00 0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.33 2wdx s VAL 197 Cb -0.13 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.54 2wdx s VAL 197 CO -0.05 0.08 -0.17 0.00 0.00 0.00 0.00 175.10 174.96 2wdx s ALA 198 N 2.03 2.01 0.53 5.51 0.00 0.09 -4.88 121.76 127.05 2wdx s ALA 198 Ca 0.13 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.12 2wdx s ALA 198 Cb -0.16 -1.07 0.01 0.00 0.00 0.00 0.00 23.12 21.90 2wdx s ALA 198 CO 0.11 -0.32 0.15 0.95 0.00 0.00 0.00 175.76 176.64 2wdx s THR 199 N 1.34 1.31 -0.55 0.00 -4.23 -1.26 -1.58 115.64 110.67 2wdx s THR 199 Ca 0.03 -1.82 0.24 0.00 -1.18 0.00 0.00 61.69 58.97 2wdx s THR 199 Cb -0.13 -2.13 0.32 0.00 1.34 0.00 0.00 72.50 71.90 2wdx s THR 199 CO -0.10 0.00 1.69 -0.09 -0.54 0.00 0.00 174.62 175.58 2wdx h ARG 200 N 1.12 0.00 -6.45 3.99 2.43 -1.15 -3.39 114.38 110.93 2wdx h ARG 200 Ca -0.41 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.17 2wdx h ARG 200 Cb 1.31 0.00 0.05 0.00 -0.42 0.00 0.00 29.97 30.91 2wdx h ARG 200 CO 0.68 0.00 0.91 0.39 -1.51 0.00 0.00 179.97 180.44 2wdx n GLU 201 N -2.74 2.23 -0.01 0.20 1.02 -1.26 -4.89 120.64 115.18 2wdx n GLU 201 Ca 0.05 0.81 -0.01 0.00 -0.02 0.00 0.00 57.16 57.98 2wdx n GLU 201 Cb 0.48 -2.61 0.26 0.00 -0.02 0.00 0.00 31.44 29.55 2wdx n GLU 201 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wdx h ARG 202 N 7.03 0.56 -0.05 3.49 -0.00 -2.00 -1.89 114.38 121.53 2wdx h ARG 202 Ca -0.46 -0.13 0.00 0.00 -0.50 0.00 0.00 59.98 58.89 2wdx h ARG 202 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 29.97 31.15 2wdx h ARG 202 CO 0.91 0.61 0.00 -0.40 0.00 0.00 0.00 179.97 181.09 2wdx n ASP 203 N -4.25 0.59 -4.68 7.04 5.75 -1.26 -4.86 116.55 114.88 2wdx n ASP 203 Ca 0.01 -1.45 -0.42 0.00 -0.01 0.00 0.00 54.79 52.92 2wdx n ASP 203 Cb 0.27 -0.03 -0.03 0.00 -1.03 0.00 0.00 41.12 40.31 2wdx n ASP 203 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2wdx s ASP 204 N -1.67 6.67 0.56 -1.12 -1.08 -0.71 -4.90 116.67 114.41 2wdx s ASP 204 Ca 0.33 2.33 0.27 0.00 -0.52 0.00 0.00 52.55 54.95 2wdx s ASP 204 Cb 0.16 -2.55 1.47 0.00 -1.46 0.00 0.00 42.92 40.54 2wdx s ASP 204 CO 0.26 -0.87 2.00 1.55 0.52 0.00 0.00 175.17 178.63 2wdx h PRO 205 N 8.70 0.00 -0.34 4.34 0.13 -1.89 -0.25 132.00 142.69 2wdx h PRO 205 Ca -0.41 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.71 2wdx h PRO 205 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2wdx h PRO 205 CO 0.93 0.00 0.01 0.72 -0.23 0.00 0.00 178.00 179.43 2wdx n HIS 206 N -4.10 1.24 -0.36 1.56 8.25 -1.26 -4.73 115.22 115.82 2wdx n HIS 206 Ca 0.08 -0.87 0.29 0.00 -0.26 0.00 0.00 57.72 56.95 2wdx n HIS 206 Cb 0.56 -0.37 0.54 0.00 1.12 0.00 0.00 29.99 31.84 2wdx n HIS 206 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2wdx h HIS 207 N 2.29 0.77 -0.44 4.41 2.76 -1.24 0.17 115.15 123.87 2wdx h HIS 207 Ca 0.01 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.16 2wdx h HIS 207 Cb 1.60 -0.20 -0.02 0.00 1.55 0.00 0.00 27.41 30.34 2wdx h HIS 207 CO 0.66 -0.19 0.05 -0.44 -1.30 0.00 0.00 177.93 176.71 2wdx h ASP 208 N 0.22 0.63 -0.51 3.26 3.32 -1.85 -1.00 116.42 120.51 2wdx h ASP 208 Ca 0.76 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 57.59 2wdx h ASP 208 Cb 1.99 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 41.36 2wdx h ASP 208 CO -0.53 0.67 -0.08 0.25 -1.72 0.00 0.00 179.24 177.83 2wdx h LEU 209 N 0.65 0.95 0.23 1.55 6.46 -1.34 -1.10 115.31 122.71 2wdx h LEU 209 Ca 0.14 -0.34 0.00 0.00 -0.12 0.00 0.00 57.88 57.56 2wdx h LEU 209 Cb 0.33 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.98 2wdx h LEU 209 CO 0.01 1.07 -0.21 -0.25 -0.62 0.00 0.00 178.44 178.43 2wdx h TRP 210 N 0.81 -0.55 -0.73 1.25 7.01 -1.40 -2.69 115.95 119.66 2wdx h TRP 210 Ca 0.13 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.16 2wdx h TRP 210 Cb 0.63 0.21 -0.04 0.00 -2.10 0.00 0.00 29.16 27.86 2wdx h TRP 210 CO 0.05 -0.31 0.48 2.35 -2.79 0.00 0.00 178.44 178.22 2wdx h TRP 211 N -0.46 0.87 0.00 2.65 7.01 -0.99 -0.45 115.95 124.58 2wdx h TRP 211 Ca -0.01 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.98 2wdx h TRP 211 Cb 0.42 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.19 2wdx h TRP 211 CO -0.14 0.52 -0.19 0.00 -2.79 0.00 0.00 178.44 175.84 2wdx h ALA 212 N 1.57 1.21 -0.11 2.65 0.00 -0.96 -2.09 119.26 121.53 2wdx h ALA 212 Ca 0.29 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2wdx h ALA 212 Cb 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2wdx h ALA 212 CO -0.08 0.23 0.00 0.72 0.00 0.00 0.00 179.25 180.12 2wdx n HIS 213 N -3.62 0.13 -0.80 0.00 8.25 -0.19 -0.90 115.22 118.10 2wdx n HIS 213 Ca -0.01 -0.07 -0.15 0.00 -0.26 0.00 0.00 57.72 57.23 2wdx n HIS 213 Cb 0.32 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.47 2wdx n HIS 213 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2wdx n THR 214 N 0.28 2.67 0.00 1.59 -2.24 -0.78 -3.96 114.28 111.83 2wdx n THR 214 Ca 0.17 -1.52 0.00 0.00 -2.27 0.00 0.00 64.05 60.43 2wdx n THR 214 Cb 0.34 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.27 2wdx n THR 214 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wdx n GLY 215 N 0.38 0.25 0.28 3.38 0.00 -0.48 -2.83 105.19 106.17 2wdx n GLY 215 Ca 0.28 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.43 2wdx n GLY 215 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wdx h GLY 216 N 0.00 0.00 0.00 -0.02 0.00 -0.62 -3.43 103.07 99.00 2wdx h GLY 216 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wdx h GLY 216 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2wdx n GLY 217 N -1.25 -0.71 3.67 4.60 0.00 -0.39 -4.96 105.19 106.15 2wdx n GLY 217 Ca -0.03 -1.46 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 2wdx n GLY 217 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wdx s GLY 218 N -1.63 1.64 -0.09 -0.02 0.00 -1.26 -4.31 107.32 101.64 2wdx s GLY 218 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.91 2wdx s GLY 218 CO 0.00 0.67 0.00 0.61 0.00 0.00 0.00 173.10 174.38 2wdx n GLY 219 N -0.39 0.40 0.91 0.20 0.00 -1.26 -4.95 105.19 100.10 2wdx n GLY 219 Ca 0.08 -0.97 -0.03 0.00 0.00 0.00 0.00 46.02 45.10 2wdx n GLY 219 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wdx n ASN 220 N 1.84 0.37 -0.00 1.61 5.03 -1.26 -3.36 115.26 119.48 2wdx n ASN 220 Ca -0.01 0.06 0.05 0.00 0.87 0.00 0.00 54.58 55.55 2wdx n ASN 220 Cb 0.23 -0.14 -0.08 0.00 -1.02 0.00 0.00 39.78 38.77 2wdx n ASN 220 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 2wdx n PHE 221 N -3.21 0.00 -2.44 3.10 3.72 -1.26 -4.66 117.46 112.71 2wdx n PHE 221 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 2wdx n PHE 221 Cb 0.47 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 2wdx n PHE 221 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wdx n GLY 222 N 1.93 -0.40 3.33 1.37 0.00 -1.26 -4.42 105.19 105.75 2wdx n GLY 222 Ca -0.02 -1.49 -0.39 0.00 0.00 0.00 0.00 46.02 44.12 2wdx n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdx s VAL 223 N -2.65 4.24 -0.07 1.61 1.01 -0.38 -4.69 120.40 119.46 2wdx s VAL 223 Ca 0.00 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 2wdx s VAL 223 Cb 0.00 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 2wdx s VAL 223 CO 0.00 -0.20 1.46 -0.69 0.00 0.00 0.00 175.10 175.67 2wdx s VAL 224 N 1.49 3.82 -0.08 2.92 1.01 -1.26 -0.79 120.40 127.51 2wdx s VAL 224 Ca 0.01 1.07 0.18 0.00 0.00 0.00 0.00 61.98 63.24 2wdx s VAL 224 Cb -0.19 -3.69 -0.27 0.00 0.00 0.00 0.00 36.38 32.23 2wdx s VAL 224 CO 0.05 -0.06 0.41 0.35 0.00 0.00 0.00 175.10 175.85 2wdx n THR 225 N 5.16 0.00 -3.66 3.92 -2.24 -0.43 -4.73 114.28 112.31 2wdx n THR 225 Ca 0.15 -0.39 -0.14 0.00 -2.27 0.00 0.00 64.05 61.40 2wdx n THR 225 Cb 0.44 0.15 -0.08 0.00 -2.10 0.00 0.00 70.33 68.74 2wdx n THR 225 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2wdx s LYS 226 N -3.19 0.74 0.04 -0.78 1.02 -1.22 -4.29 119.74 112.05 2wdx s LYS 226 Ca -0.06 0.65 0.05 0.00 0.02 0.00 0.00 55.97 56.64 2wdx s LYS 226 Cb 0.11 0.36 -0.03 0.00 -0.52 0.00 0.00 37.83 37.75 2wdx s LYS 226 CO 0.74 -0.13 -0.10 0.71 -0.92 0.00 0.00 175.35 175.65 2wdx s TYR 227 N -0.04 2.79 -0.09 3.18 1.51 -0.88 -1.04 117.35 122.78 2wdx s TYR 227 Ca -0.03 -0.11 0.04 0.00 -1.01 0.00 0.00 57.07 55.96 2wdx s TYR 227 Cb -0.04 -1.54 -0.00 0.00 -0.11 0.00 0.00 41.96 40.28 2wdx s TYR 227 CO 0.02 0.36 -0.22 -1.58 -1.11 0.00 0.00 175.55 173.02 2wdx s TRP 228 N -1.03 2.36 -0.03 2.71 0.51 -0.30 -0.01 118.94 123.15 2wdx s TRP 228 Ca 0.18 -0.91 0.06 0.00 -2.12 0.00 0.00 56.10 53.31 2wdx s TRP 228 Cb -0.11 -1.58 -0.01 0.00 -0.81 0.00 0.00 33.47 30.96 2wdx s TRP 228 CO 0.09 -0.36 -0.21 -1.64 -0.51 0.00 0.00 176.95 174.32 2wdx s MET 229 N 0.28 1.89 -0.28 4.98 -1.94 0.53 -1.89 119.30 122.86 2wdx s MET 229 Ca -0.15 -0.73 -0.18 0.00 -1.71 0.00 0.00 55.69 52.91 2wdx s MET 229 Cb -0.17 -1.71 0.12 0.00 2.01 0.00 0.00 34.83 35.08 2wdx s MET 229 CO 0.07 0.37 0.89 0.50 -0.01 0.00 0.00 175.02 176.84 2wdx s ARG 230 N -0.26 0.52 0.21 2.03 3.52 -0.40 -1.10 118.95 123.47 2wdx s ARG 230 Ca 0.02 0.83 -0.32 0.00 -0.13 0.00 0.00 55.73 56.13 2wdx s ARG 230 Cb -0.10 0.14 -0.14 0.00 -1.56 0.00 0.00 34.95 33.29 2wdx s ARG 230 CO 0.01 -0.10 1.42 0.28 -0.81 0.00 0.00 175.30 176.10 2wdx n VAL 231 N 3.57 0.69 -0.06 7.11 0.31 0.17 -4.48 118.33 125.63 2wdx n VAL 231 Ca -0.18 -0.17 0.01 0.00 -0.01 0.00 0.00 64.34 64.00 2wdx n VAL 231 Cb 0.58 -1.39 0.33 0.00 -0.91 0.00 0.00 33.84 32.44 2wdx n VAL 231 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2wdx h PRO 232 N 4.52 0.66 -7.25 5.55 0.13 -1.91 -3.45 132.00 130.25 2wdx h PRO 232 Ca -0.45 -0.07 -0.49 0.00 -0.87 0.00 0.00 66.00 64.12 2wdx h PRO 232 Cb 1.28 -0.13 0.19 0.00 0.13 0.00 0.00 31.00 32.47 2wdx h PRO 232 CO 0.78 0.51 0.17 -1.21 -0.23 0.00 0.00 178.00 178.03 2wdx s GLU 233 N -5.39 0.59 -0.33 0.86 8.01 -1.26 -4.98 118.70 116.19 2wdx s GLU 233 Ca -0.09 1.18 -0.19 0.00 0.01 0.00 0.00 54.97 55.88 2wdx s GLU 233 Cb 0.17 -1.70 -0.01 0.00 -4.31 0.00 0.00 34.13 28.28 2wdx s GLU 233 CO 0.76 -2.80 0.58 0.34 0.01 0.00 0.00 175.26 174.15 2wdx s ASP 234 N -2.82 6.41 -0.05 -0.19 -1.08 -1.26 -4.87 116.67 112.80 2wdx s ASP 234 Ca 0.66 0.20 0.09 0.00 -0.52 0.00 0.00 52.55 52.99 2wdx s ASP 234 Cb -0.22 -2.30 0.16 0.00 -1.46 0.00 0.00 42.92 39.10 2wdx s ASP 234 CO 0.60 -0.50 1.08 1.33 0.52 0.00 0.00 175.17 178.20 2wdx n VAL 235 N 5.44 0.63 -4.34 1.11 0.24 -1.26 -5.13 118.33 115.02 2wdx n VAL 235 Ca -0.03 -0.94 0.00 0.00 -2.04 0.00 0.00 64.34 61.33 2wdx n VAL 235 Cb 0.49 0.33 0.00 0.00 -1.47 0.00 0.00 33.84 33.19 2wdx n VAL 235 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wdx n GLY 236 N -0.37 0.03 1.45 7.63 0.00 -1.26 -4.17 105.19 108.50 2wdx n GLY 236 Ca 0.06 -0.96 0.08 0.00 0.00 0.00 0.00 46.02 45.21 2wdx n GLY 236 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdx n ARG 237 N 0.00 3.77 -3.18 1.61 5.12 -1.26 -4.97 116.66 117.75 2wdx n ARG 237 Ca 0.00 -2.87 -0.42 0.00 -1.93 0.00 0.00 57.85 52.63 2wdx n ARG 237 Cb 0.00 -1.91 -0.07 0.00 -1.16 0.00 0.00 32.46 29.32 2wdx n ARG 237 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 2wdx s ASN 238 N -1.07 6.32 0.53 0.55 3.04 -1.26 -4.94 114.94 118.11 2wdx s ASN 238 Ca 0.48 -0.20 0.21 0.00 0.04 0.00 0.00 52.86 53.39 2wdx s ASN 238 Cb 0.33 -2.29 1.43 0.00 -1.54 0.00 0.00 41.25 39.18 2wdx s ASN 238 CO 0.19 -0.62 2.15 -0.65 -3.04 0.00 0.00 177.10 175.13 2wdx h PRO 239 N 8.65 0.00 0.00 0.43 0.11 -1.94 -0.29 132.00 138.95 2wdx h PRO 239 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2wdx h PRO 239 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2wdx h PRO 239 CO 0.83 0.05 0.00 0.93 -0.21 0.00 0.00 178.00 179.60 2wdx h GLU 240 N 0.00 0.00 0.00 1.05 5.08 -1.93 -2.86 114.58 115.92 2wdx h GLU 240 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wdx h GLU 240 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2wdx h GLU 240 CO 0.01 0.00 -1.03 0.54 -1.00 0.00 0.00 179.01 177.53 2wdx n ARG 241 N -2.68 1.54 0.03 2.33 1.74 -0.14 -4.56 116.66 114.92 2wdx n ARG 241 Ca -0.00 -0.05 0.12 0.00 -0.77 0.00 0.00 57.85 57.15 2wdx n ARG 241 Cb 0.19 -1.26 0.49 0.00 -1.02 0.00 0.00 32.46 30.86 2wdx n ARG 241 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2wdx n LEU 242 N -1.57 0.19 -4.12 0.55 4.77 -1.08 -4.82 117.00 110.92 2wdx n LEU 242 Ca 0.01 0.53 -0.09 0.00 -0.03 0.00 0.00 56.01 56.43 2wdx n LEU 242 Cb 0.29 -0.48 -0.10 0.00 -2.33 0.00 0.00 43.42 40.80 2wdx n LEU 242 CO 0.31 -0.15 -0.30 -0.76 -1.33 0.00 0.00 177.39 175.16 2wdx s LEU 243 N -3.37 1.97 0.37 2.23 1.43 -1.26 0.44 118.68 120.49 2wdx s LEU 243 Ca 0.11 -1.12 -0.25 0.00 -1.03 0.00 0.00 54.13 51.84 2wdx s LEU 243 Cb 0.15 0.31 -0.12 0.00 0.03 0.00 0.00 46.19 46.55 2wdx s LEU 243 CO 0.46 -0.69 0.87 -2.65 0.23 0.00 0.00 176.35 174.57 2wdx n PRO 244 N -0.03 1.09 -3.42 1.29 -0.02 -1.24 -4.67 135.00 128.00 2wdx n PRO 244 Ca -0.09 0.39 -0.38 0.00 -2.02 0.00 0.00 63.50 61.41 2wdx n PRO 244 Cb 0.63 -1.80 -0.08 0.00 -0.02 0.00 0.00 33.50 32.23 2wdx n PRO 244 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2wdx s LYS 245 N -1.73 4.15 0.66 -0.52 2.36 -1.26 -0.45 119.74 122.96 2wdx s LYS 245 Ca 0.62 0.14 -0.15 0.00 -2.55 0.00 0.00 55.97 54.03 2wdx s LYS 245 Cb -0.63 -3.54 0.00 0.00 -1.05 0.00 0.00 37.83 32.61 2wdx s LYS 245 CO 0.58 -0.04 1.10 -1.25 1.55 0.00 0.00 175.35 177.29 2wdx s PRO 246 N 1.32 2.79 0.27 4.03 0.04 -1.26 -4.94 135.00 137.25 2wdx s PRO 246 Ca 0.17 1.35 -0.30 0.00 0.04 0.00 0.00 61.00 62.26 2wdx s PRO 246 Cb -0.15 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.33 2wdx s PRO 246 CO 0.08 -1.25 1.62 -1.25 0.04 0.00 0.00 177.00 176.23 2wdx s PRO 247 N -4.18 4.13 0.20 0.56 0.04 -1.26 -4.93 135.00 129.56 2wdx s PRO 247 Ca 0.66 2.57 -0.12 0.00 0.04 0.00 0.00 61.00 64.15 2wdx s PRO 247 Cb -0.20 -3.04 0.23 0.00 0.04 0.00 0.00 34.50 31.53 2wdx s PRO 247 CO 0.43 -0.65 1.71 0.00 0.04 0.00 0.00 177.00 178.52 2wdx h ALA 248 N 5.36 0.61 -2.64 8.56 0.00 -1.97 -3.40 119.26 125.78 2wdx h ALA 248 Ca -0.46 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.43 2wdx h ALA 248 Cb 1.22 0.17 -0.13 0.00 0.00 0.00 0.00 17.79 19.05 2wdx h ALA 248 CO 0.83 -0.32 -0.41 0.95 0.00 0.00 0.00 179.25 180.31 2wdx s THR 249 N -6.13 0.04 -0.02 0.00 -4.23 -1.26 -2.17 115.64 101.86 2wdx s THR 249 Ca -0.13 -1.65 0.02 0.00 -1.18 0.00 0.00 61.69 58.75 2wdx s THR 249 Cb 0.17 -2.15 0.00 0.00 1.34 0.00 0.00 72.50 71.86 2wdx s THR 249 CO 0.73 -0.17 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.80 2wdx s LEU 250 N -3.05 1.77 -0.18 4.79 1.02 -0.30 -2.01 118.68 120.72 2wdx s LEU 250 Ca 0.26 -0.17 -0.21 0.00 0.02 0.00 0.00 54.13 54.03 2wdx s LEU 250 Cb 0.04 -0.51 -0.03 0.00 0.02 0.00 0.00 46.19 45.72 2wdx s LEU 250 CO 0.06 0.06 0.61 -0.22 0.02 0.00 0.00 176.35 176.87 2wdx s LEU 251 N 0.21 4.17 0.10 1.79 2.96 0.58 -0.74 118.68 127.75 2wdx s LEU 251 Ca -0.03 0.85 0.09 0.00 -0.22 0.00 0.00 54.13 54.81 2wdx s LEU 251 Cb -0.08 -2.87 -0.03 0.00 0.50 0.00 0.00 46.19 43.70 2wdx s LEU 251 CO 0.00 -0.23 -0.22 0.42 -1.32 0.00 0.00 176.35 175.01 2wdx s THR 252 N 1.67 1.82 -0.28 3.68 -4.23 0.19 -0.76 115.64 117.73 2wdx s THR 252 Ca 0.29 -1.54 -0.21 0.00 -1.18 0.00 0.00 61.69 59.05 2wdx s THR 252 Cb -0.16 -1.63 0.09 0.00 1.34 0.00 0.00 72.50 72.14 2wdx s THR 252 CO 0.11 0.01 0.81 -0.55 -0.54 0.00 0.00 174.62 174.45 2wdx s SER 253 N -1.84 -0.72 -0.28 3.99 0.15 -1.05 -0.85 113.70 113.11 2wdx s SER 253 Ca 0.08 1.27 0.03 0.00 0.70 0.00 0.00 55.95 58.03 2wdx s SER 253 Cb -0.10 1.29 0.07 0.00 -1.71 0.00 0.00 66.02 65.58 2wdx s SER 253 CO 0.04 -0.21 -0.06 0.42 1.20 0.00 0.00 173.24 174.63 2wdx s THR 254 N 0.87 2.12 0.26 6.45 -4.23 -1.26 0.56 115.64 120.41 2wdx s THR 254 Ca -0.04 -1.76 -0.30 0.00 -1.18 0.00 0.00 61.69 58.41 2wdx s THR 254 Cb -0.05 -2.32 -0.09 0.00 1.34 0.00 0.00 72.50 71.38 2wdx s THR 254 CO -0.09 -0.18 0.98 -0.69 -0.54 0.00 0.00 174.62 174.10 2wdx s VAL 255 N 1.09 3.93 -0.01 2.29 1.01 -0.05 -4.57 120.40 124.09 2wdx s VAL 255 Ca -0.04 1.92 0.05 0.00 0.00 0.00 0.00 61.98 63.91 2wdx s VAL 255 Cb -0.20 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 2wdx s VAL 255 CO -0.06 0.44 -0.17 -0.89 0.00 0.00 0.00 175.10 174.41 2wdx s THR 256 N -1.21 2.81 -0.07 3.92 2.01 0.10 -0.17 115.64 123.02 2wdx s THR 256 Ca 0.43 -0.94 0.01 0.00 0.31 0.00 0.00 61.69 61.50 2wdx s THR 256 Cb -0.27 -2.11 0.02 0.00 0.01 0.00 0.00 72.50 70.15 2wdx s THR 256 CO 0.34 0.51 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.33 2wdx s PHE 257 N -0.78 1.22 -0.20 4.92 0.40 -0.68 -0.98 117.98 121.89 2wdx s PHE 257 Ca 0.12 -0.46 -0.17 0.00 -0.60 0.00 0.00 56.93 55.82 2wdx s PHE 257 Cb -0.10 -0.97 -0.04 0.00 0.51 0.00 0.00 43.02 42.42 2wdx s PHE 257 CO 0.02 -0.30 0.45 0.34 0.70 0.00 0.00 175.22 176.43 2wdx s ASP 258 N 1.03 6.50 0.08 1.36 -1.08 -1.26 -4.34 116.67 118.95 2wdx s ASP 258 Ca -0.08 0.60 -0.25 0.00 -0.52 0.00 0.00 52.55 52.30 2wdx s ASP 258 Cb -0.14 -2.26 -0.16 0.00 -1.46 0.00 0.00 42.92 38.89 2wdx s ASP 258 CO -0.00 -0.12 1.67 -0.50 0.52 0.00 0.00 175.17 176.74 2wdx h TRP 259 N 7.38 -0.13 -0.71 -5.34 4.06 -1.96 -2.56 115.95 116.70 2wdx h TRP 259 Ca -0.35 -0.00 0.14 0.00 2.06 0.00 0.00 58.89 60.74 2wdx h TRP 259 Cb 1.16 0.04 -0.13 0.00 -1.00 0.00 0.00 29.16 29.23 2wdx h TRP 259 CO 0.69 -0.04 -0.18 0.00 -3.56 0.00 0.00 178.44 175.34 2wdx n ALA 260 N -2.17 0.16 -1.98 1.49 0.00 -1.26 0.14 120.51 116.89 2wdx n ALA 260 Ca -0.08 0.78 -0.28 0.00 0.00 0.00 0.00 53.44 53.86 2wdx n ALA 260 Cb 0.10 -0.46 0.03 0.00 0.00 0.00 0.00 19.45 19.12 2wdx n ALA 260 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdx n GLY 261 N -1.44 6.14 3.08 0.00 0.00 -1.23 -4.86 105.19 106.88 2wdx n GLY 261 Ca 0.11 -2.61 -0.35 0.00 0.00 0.00 0.00 46.02 43.17 2wdx n GLY 261 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2wdx s MET 262 N -3.67 2.97 0.70 1.61 0.00 0.38 -4.74 119.30 116.54 2wdx s MET 262 Ca 0.53 -3.07 -0.11 0.00 0.00 0.00 0.00 55.69 53.05 2wdx s MET 262 Cb 0.43 -3.83 0.01 0.00 0.00 0.00 0.00 34.83 31.44 2wdx s MET 262 CO -0.06 -1.24 1.06 0.95 0.00 0.00 0.00 175.02 175.73 2wdx s THR 263 N -0.98 3.99 0.42 10.11 -4.23 -1.26 -4.73 115.64 118.96 2wdx s THR 263 Ca 0.24 0.65 0.27 0.00 -1.18 0.00 0.00 61.69 61.67 2wdx s THR 263 Cb -0.11 -3.38 0.46 0.00 1.34 0.00 0.00 72.50 70.81 2wdx s THR 263 CO -0.10 -0.84 1.65 -0.08 -0.54 0.00 0.00 174.62 174.71 2wdx h GLU 264 N -0.70 0.14 0.04 3.99 4.81 -1.98 0.10 114.58 120.98 2wdx h GLU 264 Ca -0.44 -0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 58.56 2wdx h GLU 264 Cb 1.21 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 2wdx h GLU 264 CO 0.56 0.09 -1.01 0.00 -0.73 0.00 0.00 179.01 177.93 2wdx h ALA 265 N 1.63 0.34 0.12 2.92 0.00 -1.99 0.15 119.26 122.44 2wdx h ALA 265 Ca 0.78 -0.78 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 2wdx h ALA 265 Cb 2.33 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 20.10 2wdx h ALA 265 CO -0.41 0.93 -0.99 0.00 0.00 0.00 0.00 179.25 178.77 2wdx h ALA 266 N 0.80 -0.04 0.18 0.00 0.00 -1.60 -2.63 119.26 115.97 2wdx h ALA 266 Ca -0.08 -0.72 0.01 0.00 0.00 0.00 0.00 54.91 54.13 2wdx h ALA 266 Cb 1.68 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.54 2wdx h ALA 266 CO 0.16 0.51 -0.35 0.35 0.00 0.00 0.00 179.25 179.92 2wdx h PHE 267 N -0.05 -0.96 -0.39 0.00 3.57 -0.87 -1.23 116.94 117.01 2wdx h PHE 267 Ca -0.16 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.44 2wdx h PHE 267 Cb 1.73 0.40 -0.09 0.00 2.79 0.00 0.00 35.95 40.78 2wdx h PHE 267 CO 0.15 -0.47 -0.21 0.66 -2.23 0.00 0.00 178.31 176.22 2wdx h SER 268 N -0.62 -0.70 -0.38 0.41 4.64 -0.79 -2.36 113.55 113.76 2wdx h SER 268 Ca 0.02 0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.48 2wdx h SER 268 Cb 0.62 0.37 -0.02 0.00 -0.31 0.00 0.00 62.40 63.06 2wdx h SER 268 CO -0.17 -0.24 0.21 -0.09 -0.87 0.00 0.00 176.83 175.67 2wdx h ARG 269 N -0.14 0.56 0.66 4.77 9.65 -1.37 -1.90 114.38 126.61 2wdx h ARG 269 Ca 0.19 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 58.99 2wdx h ARG 269 Cb 0.44 -0.12 0.01 0.00 -1.39 0.00 0.00 29.97 28.91 2wdx h ARG 269 CO -0.48 0.43 -0.32 1.25 2.80 0.00 0.00 179.97 183.65 2wdx h LEU 270 N 0.57 -0.75 -1.07 3.80 5.85 -0.72 -1.69 115.31 121.30 2wdx h LEU 270 Ca 0.15 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 2wdx h LEU 270 Cb 0.04 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2wdx h LEU 270 CO -0.02 -0.41 0.31 -0.07 -0.34 0.00 0.00 178.44 177.91 2wdx h LEU 271 N -1.09 0.88 0.28 2.25 4.07 -1.32 0.11 115.31 120.48 2wdx h LEU 271 Ca -0.09 -0.10 -0.01 0.00 0.08 0.00 0.00 57.88 57.76 2wdx h LEU 271 Cb 0.71 -0.23 -0.00 0.00 1.08 0.00 0.00 40.66 42.22 2wdx h LEU 271 CO 0.15 0.76 -0.17 0.03 -1.08 0.00 0.00 178.44 178.12 2wdx h ARG 272 N 0.96 -0.42 -0.21 1.13 3.08 -1.42 0.15 114.38 117.65 2wdx h ARG 272 Ca 0.23 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.35 2wdx h ARG 272 Cb 0.13 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 2wdx h ARG 272 CO -0.03 -0.28 -0.04 -0.91 -1.07 0.00 0.00 179.97 177.65 2wdx h ASN 273 N -0.43 -0.16 0.04 7.04 -0.26 -0.60 -1.61 115.58 119.60 2wdx h ASN 273 Ca -0.03 0.06 -0.00 0.00 -0.56 0.00 0.00 56.30 55.77 2wdx h ASN 273 Cb 0.36 0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.74 2wdx h ASN 273 CO 0.02 -0.05 -0.02 -0.74 -1.06 0.00 0.00 177.43 175.58 2wdx h HIS 274 N 0.02 -0.05 -0.44 1.19 2.76 -0.80 -0.06 115.15 117.76 2wdx h HIS 274 Ca 0.10 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.28 2wdx h HIS 274 Cb 0.14 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 29.09 2wdx h HIS 274 CO -0.21 0.02 0.27 0.78 -1.30 0.00 0.00 177.93 177.49 2wdx h GLY 275 N -0.11 0.62 1.93 5.26 0.00 -0.63 -1.43 103.07 108.71 2wdx h GLY 275 Ca -0.01 -0.21 -0.20 0.00 0.00 0.00 0.00 47.33 46.91 2wdx h GLY 275 CO 0.01 0.19 -0.95 0.83 0.00 0.00 0.00 176.54 176.62 2wdx h GLU 276 N 0.55 0.06 -0.41 4.80 5.08 -1.23 -0.79 114.58 122.64 2wdx h GLU 276 Ca 0.17 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2wdx h GLU 276 Cb -0.01 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2wdx h GLU 276 CO -0.07 0.96 0.18 2.35 -1.00 0.00 0.00 179.01 181.43 2wdx h TRP 277 N 0.02 0.60 -0.42 4.33 7.01 -0.88 -1.61 115.95 125.01 2wdx h TRP 277 Ca -0.03 -0.04 0.02 0.00 2.11 0.00 0.00 58.89 60.96 2wdx h TRP 277 Cb 1.65 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 28.50 2wdx h TRP 277 CO 0.01 0.51 0.28 1.88 -2.79 0.00 0.00 178.44 178.33 2wdx h TYR 278 N 0.52 0.46 -0.37 2.65 0.05 -1.03 -1.92 116.97 117.32 2wdx h TYR 278 Ca 0.14 0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.86 2wdx h TYR 278 Cb 0.15 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 2wdx h TYR 278 CO -0.01 0.27 -0.07 0.93 -1.05 0.00 0.00 178.16 178.24 2wdx h GLU 279 N 0.48 0.62 0.00 4.88 5.08 -0.43 -3.14 114.58 122.07 2wdx h GLU 279 Ca 0.17 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wdx h GLU 279 Cb 0.07 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2wdx h GLU 279 CO -0.04 0.69 -0.76 0.00 -1.00 0.00 0.00 179.01 177.90 2wdx h ARG 280 N 0.58 0.00 -0.46 2.33 3.08 -0.63 -3.40 114.38 115.87 2wdx h ARG 280 Ca 0.11 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.83 2wdx h ARG 280 Cb 0.47 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 30.15 2wdx h ARG 280 CO 0.02 0.00 -0.92 0.09 -1.07 0.00 0.00 179.97 178.09 2wdx n ASN 281 N -2.63 2.86 -0.27 7.04 3.02 -0.79 -4.73 115.26 119.75 2wdx n ASN 281 Ca 0.01 -2.92 0.08 0.00 -0.03 0.00 0.00 54.58 51.73 2wdx n ASN 281 Cb 0.52 -0.41 0.14 0.00 -0.61 0.00 0.00 39.78 39.42 2wdx n ASN 281 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2wdx n SER 282 N -0.58 1.95 -4.80 6.41 7.64 -1.22 -4.70 113.62 118.30 2wdx n SER 282 Ca 0.23 -3.14 -0.35 0.00 1.01 0.00 0.00 58.87 56.62 2wdx n SER 282 Cb 0.89 -0.43 -0.06 0.00 -1.01 0.00 0.00 64.21 63.60 2wdx n SER 282 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2wdx s GLY 283 N -2.76 2.63 0.54 0.23 0.00 -1.26 -2.26 107.32 104.45 2wdx s GLY 283 Ca 0.30 0.37 0.35 0.00 0.00 0.00 0.00 44.72 45.75 2wdx s GLY 283 CO -0.00 0.74 1.83 -2.55 0.00 0.00 0.00 173.10 173.12 2wdx h PRO 284 N 2.87 0.00 -0.08 2.90 0.11 -1.95 -1.58 132.00 134.27 2wdx h PRO 284 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2wdx h PRO 284 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2wdx h PRO 284 CO 0.64 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.18 2wdx n ASP 285 N -4.17 2.62 -4.67 -2.05 8.00 -1.26 -4.63 116.55 110.39 2wdx n ASP 285 Ca 0.23 -1.78 -0.41 0.00 0.71 0.00 0.00 54.79 53.53 2wdx n ASP 285 Cb 1.14 -0.04 0.01 0.00 -0.02 0.00 0.00 41.12 42.22 2wdx n ASP 285 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2wdx n SER 286 N 1.04 2.12 0.22 -2.24 2.88 -0.60 -4.89 113.62 112.15 2wdx n SER 286 Ca 0.11 1.10 0.15 0.00 -1.33 0.00 0.00 58.87 58.90 2wdx n SER 286 Cb 0.46 -1.44 0.77 0.00 -0.75 0.00 0.00 64.21 63.25 2wdx n SER 286 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2wdx h PRO 287 N 1.95 0.00 -0.64 -1.46 0.11 -1.94 -2.94 132.00 127.08 2wdx h PRO 287 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2wdx h PRO 287 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2wdx h PRO 287 CO 0.59 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.04 2wdx n TYR 288 N -2.54 1.37 0.24 0.65 4.01 -1.26 -4.08 117.16 115.55 2wdx n TYR 288 Ca -0.01 -0.54 0.08 0.00 -0.16 0.00 0.00 57.90 57.26 2wdx n TYR 288 Cb 0.08 -0.25 0.59 0.00 -0.31 0.00 0.00 39.34 39.44 2wdx n TYR 288 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 2wdx h THR 289 N 3.60 0.98 -0.16 -0.72 1.35 -1.79 -2.39 112.91 113.79 2wdx h THR 289 Ca 0.00 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 2wdx h THR 289 Cb 1.36 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 2wdx h THR 289 CO 0.23 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 176.25 2wdx n GLY 290 N -1.04 -0.17 3.71 5.82 0.00 -1.26 -1.99 105.19 110.27 2wdx n GLY 290 Ca -0.02 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 2wdx n GLY 290 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wdx s LEU 291 N -1.22 3.61 -0.00 0.99 0.20 -0.90 -1.06 118.68 120.30 2wdx s LEU 291 Ca 0.20 0.03 -0.12 0.00 0.69 0.00 0.00 54.13 54.93 2wdx s LEU 291 Cb 0.10 -2.08 0.01 0.00 -0.43 0.00 0.00 46.19 43.79 2wdx s LEU 291 CO 0.15 0.28 0.24 0.86 -0.29 0.00 0.00 176.35 177.58 2wdx s TRP 292 N -1.12 -0.08 0.04 5.38 -0.11 -0.55 -4.88 118.94 117.63 2wdx s TRP 292 Ca 0.20 0.07 -0.27 0.00 1.22 0.00 0.00 56.10 57.33 2wdx s TRP 292 Cb -0.12 0.03 0.09 0.00 -1.50 0.00 0.00 33.47 31.98 2wdx s TRP 292 CO 0.11 -0.36 0.77 -1.54 -4.62 0.00 0.00 176.95 171.31 2wdx s SER 293 N -1.43 -0.47 -0.07 5.86 1.04 -1.26 -1.48 113.70 115.90 2wdx s SER 293 Ca -0.13 0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.40 2wdx s SER 293 Cb -0.06 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.55 2wdx s SER 293 CO 0.03 -0.74 -0.12 0.00 0.98 0.00 0.00 173.24 173.39 2wdx s GLN 294 N -3.08 1.73 -0.42 4.02 -2.07 -1.02 -0.99 119.66 117.83 2wdx s GLN 294 Ca 0.02 -0.42 -0.25 0.00 -1.82 0.00 0.00 55.36 52.89 2wdx s GLN 294 Cb -0.01 -1.44 0.02 0.00 -1.09 0.00 0.00 33.01 30.49 2wdx s GLN 294 CO -0.08 0.01 0.91 -1.17 -1.32 0.00 0.00 175.29 173.64 2wdx s LEU 295 N 0.72 4.01 -0.39 2.60 0.20 0.12 -3.45 118.68 122.50 2wdx s LEU 295 Ca -0.13 0.32 -0.10 0.00 0.69 0.00 0.00 54.13 54.91 2wdx s LEU 295 Cb -0.16 -3.21 0.05 0.00 -0.43 0.00 0.00 46.19 42.45 2wdx s LEU 295 CO 0.03 -0.95 0.22 -0.04 -0.29 0.00 0.00 176.35 175.32 2wdx s MET 296 N 3.60 2.70 -0.60 1.98 -1.94 -0.15 0.33 119.30 125.21 2wdx s MET 296 Ca 0.37 -1.27 -0.05 0.00 -1.71 0.00 0.00 55.69 53.04 2wdx s MET 296 Cb -0.11 -3.72 0.16 0.00 2.01 0.00 0.00 34.83 33.17 2wdx s MET 296 CO 0.23 -0.81 0.43 0.42 -0.01 0.00 0.00 175.02 175.28 2wdx s ILE 297 N 1.48 3.91 0.18 2.53 1.01 0.43 -1.73 121.20 129.00 2wdx s ILE 297 Ca 0.02 -2.66 -0.04 0.00 0.00 0.00 0.00 60.65 57.97 2wdx s ILE 297 Cb -0.21 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 2wdx s ILE 297 CO 0.04 -0.86 0.18 -0.83 0.00 0.00 0.00 174.94 173.48 2wdx s GLY 298 N 1.22 0.97 0.49 6.18 0.00 -1.00 -0.20 107.32 114.99 2wdx s GLY 298 Ca 0.15 -1.35 -0.09 0.00 0.00 0.00 0.00 44.72 43.43 2wdx s GLY 298 CO -0.04 -1.17 -0.37 -2.01 0.00 0.00 0.00 173.10 169.51 2wdx n ASN 299 N -0.21 -3.04 -4.09 1.64 2.85 -0.42 -3.91 115.26 108.07 2wdx n ASN 299 Ca -0.03 0.14 -0.32 0.00 -0.11 0.00 0.00 54.58 54.26 2wdx n ASN 299 Cb 0.64 -0.42 -0.16 0.00 1.24 0.00 0.00 39.78 41.08 2wdx n ASN 299 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2wdx s GLU 300 N -0.99 2.76 -0.08 1.20 8.01 -1.26 -0.15 118.70 128.19 2wdx s GLU 300 Ca 0.23 -0.74 0.05 0.00 0.01 0.00 0.00 54.97 54.51 2wdx s GLU 300 Cb -0.12 -2.40 -0.00 0.00 -4.31 0.00 0.00 34.13 27.29 2wdx s GLU 300 CO 0.43 -0.20 -0.24 0.08 0.01 0.00 0.00 175.26 175.34 2wdx s VAL 301 N 1.31 1.99 0.28 2.63 1.01 -1.26 -4.99 120.40 121.37 2wdx s VAL 301 Ca 0.04 -1.00 -0.00 0.00 0.00 0.00 0.00 61.98 61.02 2wdx s VAL 301 Cb -0.13 -1.71 0.13 0.00 0.00 0.00 0.00 36.38 34.66 2wdx s VAL 301 CO -0.11 0.55 1.79 -0.65 0.00 0.00 0.00 175.10 176.68 2wdx h PRO 302 N 6.52 0.72 -1.63 2.72 0.11 -1.99 -3.32 132.00 135.13 2wdx h PRO 302 Ca -0.24 -0.18 -0.70 0.00 0.11 0.00 0.00 66.00 64.99 2wdx h PRO 302 Cb 1.22 -0.09 -0.31 0.00 0.11 0.00 0.00 31.00 31.92 2wdx h PRO 302 CO 0.47 0.73 0.57 0.41 -0.21 0.00 0.00 178.00 179.97 2wdx n GLY 303 N -0.71 5.74 0.00 -0.55 0.00 -1.26 -4.42 105.19 103.99 2wdx n GLY 303 Ca 0.02 -2.51 0.00 0.00 0.00 0.00 0.00 46.02 43.53 2wdx n GLY 303 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2wdx n MET 304 N -0.62 0.00 0.00 1.61 0.00 -1.25 -5.07 117.12 111.80 2wdx n MET 304 Ca 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 57.70 58.14 2wdx n MET 304 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 33.22 33.58 2wdx n MET 304 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2wdx n GLY 305 N 0.00 0.00 0.00 -5.12 0.00 -1.26 -3.30 105.19 95.51 2wdx n GLY 305 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdx n GLY 305 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wdx n GLU 306 N 0.00 2.32 -0.28 1.61 4.07 -1.26 -5.11 120.64 121.99 2wdx n GLU 306 Ca 0.00 0.00 -0.21 0.00 -0.06 0.00 0.00 57.16 56.89 2wdx n GLU 306 Cb 0.00 -0.28 0.20 0.00 -0.06 0.00 0.00 31.44 31.30 2wdx n GLU 306 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 2wdx n SER 307 N -0.16 -3.17 0.00 4.31 3.41 -1.21 -4.96 113.62 111.84 2wdx n SER 307 Ca 0.00 -0.69 0.00 0.00 -0.26 0.00 0.00 58.87 57.92 2wdx n SER 307 Cb 0.00 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 2wdx n SER 307 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wdx n GLY 308 N -3.76 -2.03 3.20 5.00 0.00 0.79 -4.84 105.19 103.55 2wdx n GLY 308 Ca 0.10 -2.14 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 2wdx n GLY 308 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2wdx s PHE 309 N -0.42 3.49 0.09 1.61 5.99 -1.25 -2.37 117.98 125.11 2wdx s PHE 309 Ca 0.00 -2.13 -0.00 0.00 0.00 0.00 0.00 56.93 54.80 2wdx s PHE 309 Cb 0.00 -3.47 -0.04 0.00 0.00 0.00 0.00 43.02 39.51 2wdx s PHE 309 CO 0.00 -0.96 -0.02 0.00 -0.00 0.00 0.00 175.22 174.25 2wdx s MET 310 N 0.79 0.77 -0.42 10.12 0.23 -0.71 -1.68 119.30 128.40 2wdx s MET 310 Ca 0.11 -1.32 0.02 0.00 -1.03 0.00 0.00 55.69 53.47 2wdx s MET 310 Cb -0.22 0.08 0.15 0.00 -1.53 0.00 0.00 34.83 33.31 2wdx s MET 310 CO -0.03 -0.12 0.28 1.41 -2.03 0.00 0.00 175.02 174.53 2wdx s MET 311 N -3.93 1.02 0.17 3.16 1.75 0.76 -0.98 119.30 121.25 2wdx s MET 311 Ca 0.13 -1.90 -0.32 0.00 -1.25 0.00 0.00 55.69 52.35 2wdx s MET 311 Cb 0.07 -1.81 -0.11 0.00 2.84 0.00 0.00 34.83 35.81 2wdx s MET 311 CO -0.05 -1.25 1.77 -2.14 -0.65 0.00 0.00 175.02 172.70 2wdx s PRO 312 N 0.38 4.13 0.21 4.11 0.02 -1.22 -0.87 135.00 141.76 2wdx s PRO 312 Ca 0.22 2.61 0.09 0.00 0.02 0.00 0.00 61.00 63.95 2wdx s PRO 312 Cb -0.15 -3.29 -0.05 0.00 0.02 0.00 0.00 34.50 31.04 2wdx s PRO 312 CO -0.06 -0.79 -0.17 0.42 -0.33 0.00 0.00 177.00 176.06 2wdx s ILE 313 N 1.83 1.97 -0.07 2.83 1.01 0.19 -2.44 121.20 126.53 2wdx s ILE 313 Ca 0.78 -2.16 -0.16 0.00 0.00 0.00 0.00 60.65 59.11 2wdx s ILE 313 Cb -0.48 -2.05 0.03 0.00 0.01 0.00 0.00 42.46 39.97 2wdx s ILE 313 CO 0.34 -0.44 0.37 0.00 0.00 0.00 0.00 174.94 175.21 2wdx s GLN 314 N -3.30 0.63 -0.01 2.79 -2.07 -0.55 -2.51 119.66 114.63 2wdx s GLN 314 Ca 0.22 0.12 0.01 0.00 -1.82 0.00 0.00 55.36 53.89 2wdx s GLN 314 Cb -0.04 0.29 0.01 0.00 -1.09 0.00 0.00 33.01 32.18 2wdx s GLN 314 CO 0.09 -0.15 -0.03 0.54 -1.32 0.00 0.00 175.29 174.42 2wdx s VAL 315 N -0.75 0.26 -0.19 3.63 0.11 0.06 -1.48 120.40 122.04 2wdx s VAL 315 Ca -0.08 -0.09 -0.32 0.00 -2.93 0.00 0.00 61.98 58.55 2wdx s VAL 315 Cb -0.04 -0.26 -0.09 0.00 -1.53 0.00 0.00 36.38 34.46 2wdx s VAL 315 CO 0.03 0.10 2.08 -0.67 -3.33 0.00 0.00 175.10 173.32 2wdx n ASP 316 N 3.33 3.08 -0.68 3.54 4.64 -0.22 -0.31 116.55 129.92 2wdx n ASP 316 Ca -0.17 0.57 0.01 0.00 -1.38 0.00 0.00 54.79 53.83 2wdx n ASP 316 Cb 0.56 -1.41 0.07 0.00 -1.04 0.00 0.00 41.12 39.30 2wdx n ASP 316 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2wdx n ALA 317 N 9.19 2.71 0.04 -1.67 0.00 -0.85 -4.05 120.51 125.88 2wdx n ALA 317 Ca 0.30 -0.33 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 2wdx n ALA 317 Cb 0.33 -1.02 -0.09 0.00 0.00 0.00 0.00 19.45 18.67 2wdx n ALA 317 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2wdx h THR 318 N 0.73 1.11 -3.76 0.00 2.02 -1.88 -3.44 112.91 107.68 2wdx h THR 318 Ca 0.00 -0.94 -0.54 0.00 0.77 0.00 0.00 66.41 65.70 2wdx h THR 318 Cb 0.68 1.69 0.10 0.00 -1.74 0.00 0.00 68.15 68.89 2wdx h THR 318 CO 0.08 0.22 0.79 0.54 0.37 0.00 0.00 175.52 177.52 2wdx n ARG 319 N -4.95 2.67 0.29 6.66 1.74 -1.26 -4.91 116.66 116.90 2wdx n ARG 319 Ca -0.09 0.94 0.18 0.00 -0.77 0.00 0.00 57.85 58.11 2wdx n ARG 319 Cb 0.24 -2.68 0.81 0.00 -1.02 0.00 0.00 32.46 29.82 2wdx n ARG 319 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2wdx h PRO 320 N 3.35 0.00 -0.75 5.56 0.11 -1.95 -3.04 132.00 135.29 2wdx h PRO 320 Ca -0.50 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 2wdx h PRO 320 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 2wdx h PRO 320 CO 0.67 0.03 0.04 -0.40 -0.21 0.00 0.00 178.00 178.14 2wdx n ASP 321 N -3.18 4.08 0.23 -2.05 5.75 -1.26 -4.61 116.55 115.51 2wdx n ASP 321 Ca -0.01 -2.65 0.11 0.00 -0.01 0.00 0.00 54.79 52.23 2wdx n ASP 321 Cb 0.25 -0.63 0.53 0.00 -1.03 0.00 0.00 41.12 40.23 2wdx n ASP 321 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wdx h ALA 322 N 3.15 1.07 0.04 2.12 0.00 -1.85 -0.60 119.26 123.19 2wdx h ALA 322 Ca 0.04 -0.18 -0.27 0.00 0.00 0.00 0.00 54.91 54.50 2wdx h ALA 322 Cb 1.55 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 2wdx h ALA 322 CO 0.36 0.24 -1.41 -0.09 0.00 0.00 0.00 179.25 178.36 2wdx h ARG 323 N 0.00 0.09 -0.13 0.00 2.43 -1.87 -2.35 114.38 112.54 2wdx h ARG 323 Ca -0.00 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 2wdx h ARG 323 Cb 0.65 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 2wdx h ARG 323 CO 0.03 0.89 0.05 -0.09 -1.51 0.00 0.00 179.97 179.33 2wdx h ARG 324 N 0.02 0.21 -0.60 0.20 2.43 -1.82 0.12 114.38 114.95 2wdx h ARG 324 Ca -0.18 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.00 2wdx h ARG 324 Cb 1.93 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 31.40 2wdx h ARG 324 CO 0.12 0.33 0.32 -0.07 -1.51 0.00 0.00 179.97 179.16 2wdx h LEU 325 N 0.04 0.47 -0.60 3.80 3.38 -1.19 -0.23 115.31 120.99 2wdx h LEU 325 Ca 0.04 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2wdx h LEU 325 Cb 0.20 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2wdx h LEU 325 CO -0.00 0.31 0.09 0.25 0.09 0.00 0.00 178.44 179.19 2wdx h LEU 326 N 0.61 0.95 -0.22 1.67 7.12 -1.22 -1.36 115.31 122.87 2wdx h LEU 326 Ca 0.27 -0.26 -0.15 0.00 0.13 0.00 0.00 57.88 57.86 2wdx h LEU 326 Cb 0.16 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 40.04 2wdx h LEU 326 CO -0.17 0.97 -0.47 0.44 -0.13 0.00 0.00 178.44 179.09 2wdx h ASP 327 N 0.90 0.79 -0.38 1.25 3.32 -0.52 -2.35 116.42 119.42 2wdx h ASP 327 Ca 0.18 -0.55 0.07 0.00 0.02 0.00 0.00 57.03 56.74 2wdx h ASP 327 Cb 0.43 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.69 2wdx h ASP 327 CO 0.01 1.19 0.02 0.00 -1.72 0.00 0.00 179.24 178.74 2wdx h ALA 328 N 0.61 0.36 0.35 3.45 0.00 -0.96 -0.33 119.26 122.74 2wdx h ALA 328 Ca 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2wdx h ALA 328 Cb 1.07 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2wdx h ALA 328 CO 0.10 -0.38 -0.38 1.25 0.00 0.00 0.00 179.25 179.84 2wdx h HIS 329 N 0.12 -1.05 -0.35 0.00 -0.00 -1.17 -2.17 115.15 110.54 2wdx h HIS 329 Ca 0.18 0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.62 2wdx h HIS 329 Cb 0.25 0.41 -0.05 0.00 -0.00 0.00 0.00 27.41 28.02 2wdx h HIS 329 CO -0.24 -0.49 0.03 0.82 -0.00 0.00 0.00 177.93 178.04 2wdx h ILE 330 N -0.73 0.78 -0.87 6.26 2.04 -1.37 -2.28 117.51 121.34 2wdx h ILE 330 Ca -0.04 -0.05 0.09 0.00 1.00 0.00 0.00 64.86 65.86 2wdx h ILE 330 Cb 0.64 0.63 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 2wdx h ILE 330 CO -0.06 0.03 0.52 -0.08 0.00 0.00 0.00 178.15 178.55 2wdx h GLU 331 N 0.14 0.85 -0.57 2.37 4.81 -1.03 0.26 114.58 121.40 2wdx h GLU 331 Ca 0.17 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 2wdx h GLU 331 Cb 0.21 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2wdx h GLU 331 CO -0.25 0.56 0.05 0.00 -0.73 0.00 0.00 179.01 178.64 2wdx h ALA 332 N 1.46 1.02 0.16 2.92 0.00 -1.04 -3.04 119.26 120.73 2wdx h ALA 332 Ca 0.41 -0.27 -0.30 0.00 0.00 0.00 0.00 54.91 54.75 2wdx h ALA 332 Cb 0.34 -0.22 0.03 0.00 0.00 0.00 0.00 17.79 17.94 2wdx h ALA 332 CO -0.24 0.62 -1.30 0.28 0.00 0.00 0.00 179.25 178.61 2wdx h VAL 333 N 0.88 1.33 -0.11 0.00 2.07 -0.71 -3.27 116.25 116.44 2wdx h VAL 333 Ca 0.17 -2.64 0.00 0.00 0.82 0.00 0.00 66.70 65.05 2wdx h VAL 333 Cb 0.45 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 2wdx h VAL 333 CO 0.02 0.79 0.00 2.30 0.02 0.00 0.00 177.57 180.70 2wdx n ILE 334 N -3.72 0.14 -2.15 4.57 -5.35 0.81 -4.67 119.36 108.99 2wdx n ILE 334 Ca -0.13 -0.22 -0.42 0.00 -0.27 0.00 0.00 62.75 61.70 2wdx n ILE 334 Cb 1.02 0.14 -0.03 0.00 -1.74 0.00 0.00 39.64 39.03 2wdx n ILE 334 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2wdx s ASP 335 N -1.57 6.80 0.00 7.28 2.15 -1.15 -1.37 116.67 128.82 2wdx s ASP 335 Ca 0.30 2.36 0.00 0.00 0.43 0.00 0.00 52.55 55.65 2wdx s ASP 335 Cb 0.16 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 2wdx s ASP 335 CO 0.24 -0.66 0.00 0.61 -0.17 0.00 0.00 175.17 175.19 2wdx n GLY 336 N 3.45 1.14 3.22 2.66 0.00 -1.26 -4.85 105.19 109.54 2wdx n GLY 336 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2wdx n GLY 336 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdx s VAL 337 N -2.43 5.10 0.48 1.61 1.01 -0.47 -4.93 120.40 120.76 2wdx s VAL 337 Ca 0.00 -3.49 0.33 0.00 0.00 0.00 0.00 61.98 58.82 2wdx s VAL 337 Cb 0.00 -4.12 0.35 0.00 0.00 0.00 0.00 36.38 32.61 2wdx s VAL 337 CO 0.00 -1.11 2.18 -0.65 0.00 0.00 0.00 175.10 175.52 2wdx h PRO 338 N 6.52 0.00 0.00 2.72 0.11 -1.92 -3.06 132.00 136.37 2wdx h PRO 338 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2wdx h PRO 338 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2wdx h PRO 338 CO 0.90 0.05 0.00 -2.30 -0.21 0.00 0.00 178.00 176.44 2wdx n PRO 339 N -3.50 0.33 -2.80 1.05 -0.02 -1.26 -4.82 135.00 123.98 2wdx n PRO 339 Ca -0.02 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.12 2wdx n PRO 339 Cb 0.17 -1.17 -0.07 0.00 -0.02 0.00 0.00 33.50 32.41 2wdx n PRO 339 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wdx s ALA 340 N -2.00 3.09 -0.31 3.55 0.00 -1.16 -4.10 121.76 120.83 2wdx s ALA 340 Ca 0.06 0.45 0.01 0.00 0.00 0.00 0.00 51.96 52.47 2wdx s ALA 340 Cb 0.03 -3.16 0.10 0.00 0.00 0.00 0.00 23.12 20.08 2wdx s ALA 340 CO 0.04 0.13 0.07 -2.00 0.00 0.00 0.00 175.76 174.00 2wdx s GLU 341 N -2.83 1.02 -0.24 0.00 2.56 -0.15 -4.97 118.70 114.08 2wdx s GLU 341 Ca 0.58 -1.30 -0.11 0.00 0.00 0.00 0.00 54.97 54.15 2wdx s GLU 341 Cb -0.12 -2.42 -0.05 0.00 2.00 0.00 0.00 34.13 33.54 2wdx s GLU 341 CO 0.17 -0.93 0.16 0.54 -0.56 0.00 0.00 175.26 174.64 2wdx s VAL 342 N 1.38 5.34 0.55 3.70 0.11 -1.26 -0.72 120.40 129.50 2wdx s VAL 342 Ca 0.09 0.18 0.03 0.00 -2.93 0.00 0.00 61.98 59.34 2wdx s VAL 342 Cb -0.18 -3.50 0.04 0.00 -1.53 0.00 0.00 36.38 31.22 2wdx s VAL 342 CO -0.18 0.33 0.76 -2.16 -3.33 0.00 0.00 175.10 170.53 2wdx s PRO 343 N 1.14 2.48 0.15 1.54 0.04 -1.26 -5.05 135.00 134.05 2wdx s PRO 343 Ca 0.07 -0.95 -0.31 0.00 0.04 0.00 0.00 61.00 59.85 2wdx s PRO 343 Cb -0.14 -2.53 -0.11 0.00 0.04 0.00 0.00 34.50 31.77 2wdx s PRO 343 CO 0.05 -0.73 1.71 -1.21 0.04 0.00 0.00 177.00 176.87 2wdx s GLU 344 N -4.73 4.16 0.49 4.56 0.41 -1.26 -4.91 118.70 117.43 2wdx s GLU 344 Ca 0.58 2.52 -0.24 0.00 -0.41 0.00 0.00 54.97 57.42 2wdx s GLU 344 Cb -0.09 -3.32 -0.07 0.00 -1.78 0.00 0.00 34.13 28.86 2wdx s GLU 344 CO 0.38 -0.75 1.37 -2.30 -0.49 0.00 0.00 175.26 173.48 2wdx n PRO 345 N 4.72 1.94 -4.37 0.39 -0.02 -1.26 -4.90 135.00 131.51 2wdx n PRO 345 Ca 0.16 0.70 -0.31 0.00 -2.02 0.00 0.00 63.50 62.03 2wdx n PRO 345 Cb 0.37 -2.57 -0.10 0.00 -0.02 0.00 0.00 33.50 31.18 2wdx n PRO 345 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2wdx s ILE 346 N -1.24 3.39 -0.44 4.25 1.01 -0.03 -4.89 121.20 123.25 2wdx s ILE 346 Ca 0.66 -1.09 -0.17 0.00 0.00 0.00 0.00 60.65 60.05 2wdx s ILE 346 Cb -0.44 -2.53 0.03 0.00 0.01 0.00 0.00 42.46 39.54 2wdx s ILE 346 CO 0.54 0.24 0.43 -0.70 0.00 0.00 0.00 174.94 175.44 2wdx s GLU 347 N -1.84 3.05 0.00 2.79 2.12 -1.26 0.56 118.70 124.12 2wdx s GLU 347 Ca 0.19 -0.93 -0.00 0.00 0.36 0.00 0.00 54.97 54.59 2wdx s GLU 347 Cb -0.11 -4.01 -0.04 0.00 0.26 0.00 0.00 34.13 30.23 2wdx s GLU 347 CO 0.11 -0.91 0.08 1.14 -0.54 0.00 0.00 175.26 175.14 2wdx s GLN 348 N 2.03 3.06 0.43 4.30 -2.07 0.08 -4.89 119.66 122.60 2wdx s GLN 348 Ca 0.10 -0.50 -0.22 0.00 -1.82 0.00 0.00 55.36 52.92 2wdx s GLN 348 Cb -0.19 -2.86 -0.10 0.00 -1.09 0.00 0.00 33.01 28.78 2wdx s GLN 348 CO 0.12 0.64 1.00 1.03 -1.32 0.00 0.00 175.29 176.76 2wdx s ARG 349 N -1.80 4.11 0.10 9.60 0.52 -1.26 -1.15 118.95 129.07 2wdx s ARG 349 Ca 0.24 1.32 -0.36 0.00 -0.52 0.00 0.00 55.73 56.40 2wdx s ARG 349 Cb -0.12 -2.30 -0.17 0.00 0.52 0.00 0.00 34.95 32.88 2wdx s ARG 349 CO 0.15 -0.16 1.27 1.87 0.02 0.00 0.00 175.30 178.45 2wdx n TRP 350 N -0.48 1.39 -4.36 -0.53 -0.00 -0.92 -2.33 117.44 110.21 2wdx n TRP 350 Ca 0.07 0.67 -0.38 0.00 -0.00 0.00 0.00 57.50 57.86 2wdx n TRP 350 Cb 0.52 -2.30 -0.05 0.00 -0.00 0.00 0.00 31.31 29.47 2wdx n TRP 350 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 2wdx n LEU 351 N 2.33 -1.31 -0.01 5.87 4.77 -1.26 -4.85 117.00 122.54 2wdx n LEU 351 Ca 0.18 -1.13 -0.17 0.00 -0.03 0.00 0.00 56.01 54.86 2wdx n LEU 351 Cb 0.20 -1.86 -0.13 0.00 -2.33 0.00 0.00 43.42 39.31 2wdx n LEU 351 CO 0.62 0.23 0.27 0.00 -1.33 0.00 0.00 177.39 177.17 2wdx h ALA 352 N 0.89 -0.01 -1.87 -1.18 0.00 -1.86 -3.41 119.26 111.82 2wdx h ALA 352 Ca -0.60 -0.56 -0.47 0.00 0.00 0.00 0.00 54.91 53.28 2wdx h ALA 352 Cb 1.39 0.04 -0.40 0.00 0.00 0.00 0.00 17.79 18.81 2wdx h ALA 352 CO 0.82 0.19 -1.15 0.45 0.00 0.00 0.00 179.25 179.56 2wdx n SER 353 N -4.37 1.26 -4.34 0.00 2.88 -1.26 -5.07 113.62 102.71 2wdx n SER 353 Ca -0.11 -3.03 -0.46 0.00 -1.33 0.00 0.00 58.87 53.94 2wdx n SER 353 Cb 0.62 -0.60 -0.04 0.00 -0.75 0.00 0.00 64.21 63.44 2wdx n SER 353 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2wdx s THR 354 N -2.74 5.09 0.00 2.46 -4.23 -1.26 -5.05 115.64 109.91 2wdx s THR 354 Ca 0.39 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.45 2wdx s THR 354 Cb 0.36 -4.44 0.00 0.00 1.34 0.00 0.00 72.50 69.76 2wdx s THR 354 CO -0.07 -1.03 0.00 -0.81 -0.54 0.00 0.00 174.62 172.18 2wdx n PRO 355 N 5.54 1.22 0.00 3.99 -0.04 -1.26 -5.05 135.00 139.41 2wdx n PRO 355 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 2wdx n PRO 355 Cb 0.42 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 2wdx n PRO 355 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wdx n GLY 356 N 0.00 0.00 3.40 0.55 0.00 -1.26 -5.03 105.19 102.85 2wdx n GLY 356 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2wdx n GLY 356 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdx s ARG 357 N 0.00 3.06 0.00 1.61 1.81 -1.26 -4.80 118.95 119.37 2wdx s ARG 357 Ca 0.00 -1.17 0.00 0.00 -1.72 0.00 0.00 55.73 52.84 2wdx s ARG 357 Cb 0.00 -4.25 0.00 0.00 -0.45 0.00 0.00 34.95 30.25 2wdx s ARG 357 CO 0.00 -1.62 0.00 0.41 -0.68 0.00 0.00 175.30 173.41 2wdx n GLY 358 N 5.30 0.82 3.61 -3.53 0.00 -1.26 -5.10 105.19 105.03 2wdx n GLY 358 Ca -0.08 -1.31 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 2wdx n GLY 358 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wdx s GLY 359 N -0.17 1.76 0.00 -0.02 0.00 -1.26 -5.01 107.32 102.62 2wdx s GLY 359 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.78 2wdx s GLY 359 CO 0.00 -0.76 0.00 -2.13 0.00 0.00 0.00 173.10 170.21 2wdx n ARG 360 N 1.83 0.00 0.00 2.90 0.63 -1.26 -5.00 116.66 115.76 2wdx n ARG 360 Ca -0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 2wdx n ARG 360 Cb 0.53 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.44 2wdx n ARG 360 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wdx n GLY 361 N 0.00 0.62 3.67 5.14 0.00 -1.26 -5.11 105.19 108.24 2wdx n GLY 361 Ca 0.00 -0.78 -0.54 0.00 0.00 0.00 0.00 46.02 44.70 2wdx n GLY 361 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wdx n PRO 362 N 0.00 1.28 -2.14 1.61 -0.02 -1.26 -4.46 135.00 130.00 2wdx n PRO 362 Ca 0.00 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.53 2wdx n PRO 362 Cb 0.00 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.30 2wdx n PRO 362 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wdx s ALA 363 N 2.47 3.61 0.07 3.55 0.00 -1.26 -4.27 121.76 125.93 2wdx s ALA 363 Ca 0.92 1.13 0.00 0.00 0.00 0.00 0.00 51.96 54.02 2wdx s ALA 363 Cb -0.98 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 18.54 2wdx s ALA 363 CO 0.57 -0.66 -0.04 -1.54 0.00 0.00 0.00 175.76 174.09 2wdx s SER 364 N 1.19 0.74 -0.09 0.00 1.04 -1.26 -2.26 113.70 113.05 2wdx s SER 364 Ca 0.65 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 56.08 2wdx s SER 364 Cb -0.37 0.16 0.02 0.00 0.10 0.00 0.00 66.02 65.93 2wdx s SER 364 CO 0.30 -0.55 -0.08 -0.75 0.98 0.00 0.00 173.24 173.14 2wdx s LYS 365 N -3.89 1.45 -0.13 4.02 2.47 0.93 -4.96 119.74 119.63 2wdx s LYS 365 Ca 0.09 -0.26 0.03 0.00 -1.56 0.00 0.00 55.97 54.27 2wdx s LYS 365 Cb 0.07 -1.44 0.01 0.00 -1.46 0.00 0.00 37.83 35.01 2wdx s LYS 365 CO -0.08 -0.18 -0.21 0.99 0.16 0.00 0.00 175.35 176.03 2wdx s THR 366 N 1.39 2.00 0.13 3.43 2.01 -1.26 -1.49 115.64 121.85 2wdx s THR 366 Ca -0.01 -0.95 0.09 0.00 0.31 0.00 0.00 61.69 61.12 2wdx s THR 366 Cb -0.14 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.56 2wdx s THR 366 CO -0.04 0.54 -0.15 -0.54 -0.69 0.00 0.00 174.62 173.74 2wdx s LYS 367 N 0.80 1.90 0.09 4.92 1.02 -0.07 -4.81 119.74 123.61 2wdx s LYS 367 Ca -0.08 -1.16 0.03 0.00 0.02 0.00 0.00 55.97 54.78 2wdx s LYS 367 Cb -0.16 -2.16 -0.04 0.00 -0.52 0.00 0.00 37.83 34.95 2wdx s LYS 367 CO -0.01 0.48 -0.08 0.00 -0.92 0.00 0.00 175.35 174.82 2wdx s ALA 368 N -1.26 1.00 0.01 5.17 0.00 -1.26 0.79 121.76 126.20 2wdx s ALA 368 Ca 0.20 -1.24 -0.22 0.00 0.00 0.00 0.00 51.96 50.69 2wdx s ALA 368 Cb -0.10 0.10 0.05 0.00 0.00 0.00 0.00 23.12 23.17 2wdx s ALA 368 CO 0.12 -0.15 0.50 0.20 0.00 0.00 0.00 175.76 176.43 2wdx s GLY 369 N -2.71 -0.39 0.09 0.00 0.00 -0.37 -4.79 107.32 99.14 2wdx s GLY 369 Ca 0.08 0.68 -0.09 0.00 0.00 0.00 0.00 44.72 45.39 2wdx s GLY 369 CO -0.02 0.39 0.39 -0.19 0.00 0.00 0.00 173.10 173.67 2wdx s TYR 370 N -1.90 3.56 -0.05 1.90 2.02 0.22 -1.10 117.35 122.00 2wdx s TYR 370 Ca -0.08 0.74 0.06 0.00 -0.37 0.00 0.00 57.07 57.41 2wdx s TYR 370 Cb -0.01 -2.13 -0.01 0.00 -0.40 0.00 0.00 41.96 39.41 2wdx s TYR 370 CO 0.02 0.50 -0.23 -0.51 -1.57 0.00 0.00 175.55 173.76 2wdx s LEU 371 N -2.06 2.04 -0.05 -1.29 1.43 -0.12 -2.20 118.68 116.43 2wdx s LEU 371 Ca 0.34 -0.48 0.14 0.00 -1.03 0.00 0.00 54.13 53.11 2wdx s LEU 371 Cb -0.13 -1.29 -0.21 0.00 0.03 0.00 0.00 46.19 44.59 2wdx s LEU 371 CO 0.19 0.22 0.25 0.54 0.23 0.00 0.00 176.35 177.79 2wdx n ARG 372 N 2.99 0.77 -4.26 1.70 1.74 -0.20 -1.87 116.66 117.53 2wdx n ARG 372 Ca -0.18 -0.10 -0.17 0.00 -0.77 0.00 0.00 57.85 56.63 2wdx n ARG 372 Cb 0.52 -1.35 -0.09 0.00 -1.02 0.00 0.00 32.46 30.53 2wdx n ARG 372 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2wdx s LYS 373 N -2.84 1.62 0.77 5.56 1.02 -1.23 -4.55 119.74 120.09 2wdx s LYS 373 Ca -0.06 -1.92 -0.14 0.00 0.02 0.00 0.00 55.97 53.88 2wdx s LYS 373 Cb 0.08 0.31 0.06 0.00 -0.52 0.00 0.00 37.83 37.76 2wdx s LYS 373 CO 0.59 -0.59 1.21 -0.98 -0.92 0.00 0.00 175.35 174.66 2wdx s ARG 374 N -3.62 1.89 0.36 1.68 1.70 -1.26 -4.87 118.95 114.83 2wdx s ARG 374 Ca 0.40 1.75 -0.28 0.00 -0.47 0.00 0.00 55.73 57.14 2wdx s ARG 374 Cb 0.03 -1.81 -0.12 0.00 -0.57 0.00 0.00 34.95 32.49 2wdx s ARG 374 CO 0.24 -2.02 1.38 1.28 -1.08 0.00 0.00 175.30 175.09 2wdx n LEU 375 N -3.01 4.13 -4.77 -1.89 4.77 -1.26 -4.93 117.00 110.03 2wdx n LEU 375 Ca 0.13 1.21 -0.29 0.00 -0.03 0.00 0.00 56.01 57.04 2wdx n LEU 375 Cb 0.50 -1.55 0.13 0.00 -2.33 0.00 0.00 43.42 40.18 2wdx n LEU 375 CO 0.48 -0.20 0.70 0.42 -1.33 0.00 0.00 177.39 177.46 2wdx s THR 376 N -1.11 2.36 0.20 -5.08 -4.23 -1.26 -4.69 115.64 101.84 2wdx s THR 376 Ca 0.55 0.12 -0.10 0.00 -1.18 0.00 0.00 61.69 61.07 2wdx s THR 376 Cb -0.52 -2.81 0.14 0.00 1.34 0.00 0.00 72.50 70.65 2wdx s THR 376 CO 0.63 -0.15 1.72 0.44 -0.54 0.00 0.00 174.62 176.72 2wdx h ASP 377 N -1.45 0.09 0.22 3.99 3.32 -1.99 0.28 116.42 120.89 2wdx h ASP 377 Ca -0.50 0.09 -0.10 0.00 0.02 0.00 0.00 57.03 56.54 2wdx h ASP 377 Cb 1.31 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.95 2wdx h ASP 377 CO 0.60 0.06 -0.39 0.08 -1.72 0.00 0.00 179.24 177.88 2wdx h ARG 378 N 0.31 0.23 -0.13 3.56 0.11 -1.99 -2.08 114.38 114.39 2wdx h ARG 378 Ca 0.29 -0.10 -0.04 0.00 0.10 0.00 0.00 59.98 60.23 2wdx h ARG 378 Cb 0.40 -0.01 -0.00 0.00 1.11 0.00 0.00 29.97 31.47 2wdx h ARG 378 CO -0.34 0.59 -0.07 1.96 0.10 0.00 0.00 179.97 182.21 2wdx h GLN 379 N 0.20 0.27 -0.93 0.08 4.20 -1.53 -2.71 115.11 114.69 2wdx h GLN 379 Ca 0.02 -0.12 0.15 0.00 0.06 0.00 0.00 58.65 58.76 2wdx h GLN 379 Cb 0.78 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.47 2wdx h GLN 379 CO 0.06 0.61 0.59 0.82 -0.67 0.00 0.00 178.83 180.25 2wdx h ILE 380 N -0.07 0.82 -0.67 2.54 2.04 -0.40 -1.84 117.51 119.92 2wdx h ILE 380 Ca 0.03 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.56 2wdx h ILE 380 Cb 0.53 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 2wdx h ILE 380 CO 0.02 0.13 0.12 -0.61 0.00 0.00 0.00 178.15 177.81 2wdx h GLN 381 N 0.73 1.11 -0.51 2.37 5.75 -1.24 -2.78 115.11 120.55 2wdx h GLN 381 Ca 0.48 -0.29 -0.09 0.00 -0.15 0.00 0.00 58.65 58.60 2wdx h GLN 381 Cb 0.74 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.13 2wdx h GLN 381 CO -0.24 1.00 -0.04 0.00 -2.65 0.00 0.00 178.83 176.91 2wdx h ALA 382 N 1.08 0.98 -0.20 3.38 0.00 -1.01 0.84 119.26 124.33 2wdx h ALA 382 Ca 0.21 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2wdx h ALA 382 Cb 0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2wdx h ALA 382 CO 0.01 0.62 0.13 0.28 0.00 0.00 0.00 179.25 180.28 2wdx h VAL 383 N 0.81 1.06 0.60 0.00 2.07 -1.45 -1.73 116.25 117.60 2wdx h VAL 383 Ca 0.15 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 2wdx h VAL 383 Cb 0.53 0.78 0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2wdx h VAL 383 CO 0.03 0.05 -0.29 0.22 0.02 0.00 0.00 177.57 177.60 2wdx h TYR 384 N 0.26 -0.75 -0.92 1.57 5.03 -1.15 -0.41 116.97 120.60 2wdx h TYR 384 Ca 0.07 -0.02 0.15 0.00 2.58 0.00 0.00 58.73 61.51 2wdx h TYR 384 Cb -0.02 0.25 -0.15 0.00 1.55 0.00 0.00 36.73 38.35 2wdx h TYR 384 CO -0.06 -0.45 -0.37 0.93 -1.32 0.00 0.00 178.16 176.89 2wdx h GLU 385 N -0.83 -0.03 -0.07 1.82 4.39 -0.85 -1.28 114.58 117.72 2wdx h GLU 385 Ca -0.08 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.38 2wdx h GLU 385 Cb 0.63 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.30 2wdx h GLU 385 CO 0.14 -0.02 -0.91 -0.91 -1.16 0.00 0.00 179.01 176.15 2wdx h ASN 386 N -0.03 0.89 0.54 1.42 2.35 -1.23 -2.35 115.58 117.17 2wdx h ASN 386 Ca 0.34 -0.65 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2wdx h ASN 386 Cb 0.60 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.70 2wdx h ASN 386 CO -0.93 1.45 0.00 0.23 -1.65 0.00 0.00 177.43 176.52 2wdx n MET 387 N -3.88 0.17 0.04 0.81 2.81 -0.17 -2.58 117.12 114.32 2wdx n MET 387 Ca -0.09 0.47 -0.22 0.00 -1.81 0.00 0.00 57.70 56.05 2wdx n MET 387 Cb 0.81 -1.88 -0.14 0.00 -0.71 0.00 0.00 33.22 31.30 2wdx n MET 387 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 2wdx h THR 388 N 0.00 0.87 -3.71 2.03 2.02 -1.02 -3.42 112.91 109.68 2wdx h THR 388 Ca 0.00 -2.45 -0.76 0.00 0.77 0.00 0.00 66.41 63.97 2wdx h THR 388 Cb 0.27 2.69 -0.29 0.00 -1.74 0.00 0.00 68.15 69.08 2wdx h THR 388 CO 0.00 0.84 -0.00 -1.00 0.37 0.00 0.00 175.52 175.73 2wdx s HIS 389 N -2.55 3.71 -0.36 3.16 3.76 -0.91 -4.88 115.29 117.22 2wdx s HIS 389 Ca -0.18 -2.29 0.14 0.00 -0.15 0.00 0.00 55.06 52.57 2wdx s HIS 389 Cb 0.06 -3.63 0.39 0.00 1.11 0.00 0.00 32.58 30.51 2wdx s HIS 389 CO 0.82 -0.93 0.83 0.00 -0.85 0.00 0.00 174.74 174.60 2wdx n MET 390 N 3.66 1.19 -2.16 1.40 0.00 -1.26 -4.82 117.12 115.13 2wdx n MET 390 Ca 0.13 -3.42 -0.43 0.00 0.00 0.00 0.00 57.70 53.98 2wdx n MET 390 Cb 0.44 -1.57 -0.02 0.00 0.00 0.00 0.00 33.22 32.06 2wdx n MET 390 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2wdx s ASP 391 N -2.75 6.36 0.00 3.17 -0.00 -1.26 -2.85 116.67 119.33 2wdx s ASP 391 Ca 0.36 1.47 0.00 0.00 -0.00 0.00 0.00 52.55 54.37 2wdx s ASP 391 Cb 0.39 -2.53 0.00 0.00 -0.00 0.00 0.00 42.92 40.78 2wdx s ASP 391 CO -0.04 -1.30 0.00 0.61 -0.00 0.00 0.00 175.17 174.44 2wdx n GLY 392 N 4.73 0.73 3.62 0.21 0.00 -1.26 -5.04 105.19 108.19 2wdx n GLY 392 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2wdx n GLY 392 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wdx s ILE 393 N -2.37 4.73 0.08 -0.61 -1.09 -1.13 -4.91 121.20 115.89 2wdx s ILE 393 Ca 0.00 1.37 -0.21 0.00 -2.23 0.00 0.00 60.65 59.58 2wdx s ILE 393 Cb 0.00 -4.21 -0.11 0.00 -1.58 0.00 0.00 42.46 36.56 2wdx s ILE 393 CO 0.00 -0.28 1.60 0.44 -1.23 0.00 0.00 174.94 175.47 2wdx h ASP 394 N 8.05 0.22 -3.27 3.58 5.19 -1.91 -3.43 116.42 124.85 2wdx h ASP 394 Ca -0.23 -0.19 -0.19 0.00 -0.62 0.00 0.00 57.03 55.80 2wdx h ASP 394 Cb 1.09 -0.06 -0.30 0.00 0.18 0.00 0.00 39.33 40.24 2wdx h ASP 394 CO 0.92 0.35 -0.48 -0.47 -3.12 0.00 0.00 179.24 176.44 2wdx s TYR 395 N -5.46 -0.36 0.00 4.55 5.04 -0.26 -4.86 117.35 115.99 2wdx s TYR 395 Ca -0.14 0.85 -0.01 0.00 -2.44 0.00 0.00 57.07 55.34 2wdx s TYR 395 Cb 0.07 0.05 -0.00 0.00 0.35 0.00 0.00 41.96 42.42 2wdx s TYR 395 CO 0.70 -0.26 0.01 0.20 -1.34 0.00 0.00 175.55 174.86 2wdx s GLY 396 N 1.44 0.06 0.18 8.97 0.00 -1.26 -0.23 107.32 116.49 2wdx s GLY 396 Ca -0.08 -0.14 -0.23 0.00 0.00 0.00 0.00 44.72 44.27 2wdx s GLY 396 CO -0.09 -0.18 0.71 0.00 0.00 0.00 0.00 173.10 173.55 2wdx s ALA 397 N -0.50 -1.50 -0.09 3.20 0.00 0.10 -1.30 121.76 121.67 2wdx s ALA 397 Ca -0.06 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.15 2wdx s ALA 397 Cb -0.04 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.89 2wdx s ALA 397 CO -0.00 -0.89 -0.15 0.08 0.00 0.00 0.00 175.76 174.80 2wdx s VAL 398 N -3.69 1.43 -0.17 0.00 1.01 0.73 -0.57 120.40 119.14 2wdx s VAL 398 Ca 0.06 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 2wdx s VAL 398 Cb -0.03 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 2wdx s VAL 398 CO -0.04 0.42 -0.04 0.26 0.00 0.00 0.00 175.10 175.71 2wdx s TRP 399 N 0.71 3.00 -0.33 5.22 0.52 0.06 -0.43 118.94 127.69 2wdx s TRP 399 Ca -0.13 -0.44 -0.09 0.00 0.02 0.00 0.00 56.10 55.46 2wdx s TRP 399 Cb -0.16 -2.00 0.02 0.00 -1.15 0.00 0.00 33.47 30.18 2wdx s TRP 399 CO 0.03 -0.16 0.14 -0.51 0.02 0.00 0.00 176.95 176.47 2wdx s LEU 400 N 0.66 4.28 -0.29 2.99 1.02 0.15 -1.72 118.68 125.78 2wdx s LEU 400 Ca -0.02 -0.83 -0.02 0.00 0.02 0.00 0.00 54.13 53.28 2wdx s LEU 400 Cb -0.14 -1.96 0.04 0.00 0.02 0.00 0.00 46.19 44.15 2wdx s LEU 400 CO 0.02 -0.28 -0.01 -0.63 0.02 0.00 0.00 176.35 175.47 2wdx s ILE 401 N 1.53 3.04 0.19 -0.59 1.01 0.20 0.16 121.20 126.75 2wdx s ILE 401 Ca 0.02 -1.22 -0.31 0.00 0.00 0.00 0.00 60.65 59.14 2wdx s ILE 401 Cb -0.18 -2.68 -0.16 0.00 0.01 0.00 0.00 42.46 39.45 2wdx s ILE 401 CO 0.05 -0.01 0.95 0.61 0.00 0.00 0.00 174.94 176.54 2wdx n GLY 402 N 4.66 -0.53 1.63 6.18 0.00 -0.16 -1.34 105.19 115.63 2wdx n GLY 402 Ca -0.14 0.45 -0.06 0.00 0.00 0.00 0.00 46.02 46.27 2wdx n GLY 402 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2wdx n TYR 403 N 0.78 -1.08 -0.72 1.61 9.36 0.59 -4.74 117.16 122.97 2wdx n TYR 403 Ca 0.15 -1.06 0.00 0.00 3.32 0.00 0.00 57.90 60.31 2wdx n TYR 403 Cb 0.25 0.30 0.00 0.00 -0.63 0.00 0.00 39.34 39.26 2wdx n TYR 403 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2wdx n GLY 404 N -0.27 0.74 7.00 2.98 0.00 -1.21 -4.51 105.19 109.93 2wdx n GLY 404 Ca -0.01 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.80 2wdx n GLY 404 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdx n GLY 405 N 0.00 3.52 0.15 -0.02 0.00 -0.96 -1.53 105.19 106.35 2wdx n GLY 405 Ca 0.00 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.08 2wdx n GLY 405 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdx n LYS 406 N 14.00 0.17 -0.36 1.61 4.01 0.43 -2.29 118.16 135.72 2wdx n LYS 406 Ca 0.00 0.53 -0.01 0.00 -0.51 0.00 0.00 58.31 58.32 2wdx n LYS 406 Cb 0.00 -1.91 0.12 0.00 -0.51 0.00 0.00 35.03 32.73 2wdx n LYS 406 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2wdx h VAL 407 N 0.00 1.21 0.00 -0.18 2.07 -1.37 -3.01 116.25 114.97 2wdx h VAL 407 Ca 0.00 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2wdx h VAL 407 Cb 0.18 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 2wdx h VAL 407 CO 0.00 0.23 0.00 0.59 0.02 0.00 0.00 177.57 178.41 2wdx n ASN 408 N -4.44 0.00 0.00 0.57 3.02 -0.97 -2.82 115.26 110.62 2wdx n ASN 408 Ca 0.12 -0.62 0.12 0.00 -0.03 0.00 0.00 54.58 54.18 2wdx n ASN 408 Cb 0.05 -0.08 0.63 0.00 -0.61 0.00 0.00 39.78 39.78 2wdx n ASN 408 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2wdx n THR 409 N -1.08 0.20 -3.97 3.41 -2.24 -1.14 -4.86 114.28 104.61 2wdx n THR 409 Ca 0.18 0.05 -0.35 0.00 -2.27 0.00 0.00 64.05 61.66 2wdx n THR 409 Cb 0.12 -0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 67.66 2wdx n THR 409 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2wdx s VAL 410 N -2.61 5.26 0.20 2.28 1.01 -1.13 -5.06 120.40 120.35 2wdx s VAL 410 Ca 0.23 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.85 2wdx s VAL 410 Cb 0.17 -3.36 -0.09 0.00 0.00 0.00 0.00 36.38 33.10 2wdx s VAL 410 CO 0.39 0.47 1.26 -0.62 0.00 0.00 0.00 175.10 176.60 2wdx s ASP 411 N -1.46 6.98 0.51 3.32 -1.08 -1.26 -4.79 116.67 118.89 2wdx s ASP 411 Ca 0.21 2.34 0.32 0.00 -0.52 0.00 0.00 52.55 54.90 2wdx s ASP 411 Cb -0.12 -2.61 1.45 0.00 -1.46 0.00 0.00 42.92 40.18 2wdx s ASP 411 CO 0.11 -0.46 1.79 -0.65 0.52 0.00 0.00 175.17 176.48 2wdx h PRO 412 N 5.20 0.09 0.00 4.34 0.11 -1.84 0.49 132.00 140.39 2wdx h PRO 412 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2wdx h PRO 412 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2wdx h PRO 412 CO 0.75 0.06 -0.77 0.00 -0.21 0.00 0.00 178.00 177.83 2wdx n ALA 413 N -2.70 3.27 0.28 -0.75 0.00 -1.26 -4.01 120.51 115.34 2wdx n ALA 413 Ca 0.26 -0.34 0.13 0.00 0.00 0.00 0.00 53.44 53.49 2wdx n ALA 413 Cb 1.17 -1.07 0.80 0.00 0.00 0.00 0.00 19.45 20.35 2wdx n ALA 413 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdx h ALA 414 N 2.63 1.53 -1.90 0.00 0.00 -0.36 -3.44 119.26 117.72 2wdx h ALA 414 Ca 0.00 -0.04 -0.55 0.00 0.00 0.00 0.00 54.91 54.32 2wdx h ALA 414 Cb 0.69 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.34 2wdx h ALA 414 CO 0.00 0.06 -0.50 0.95 0.00 0.00 0.00 179.25 179.76 2wdx s THR 415 N -4.57 0.42 -0.76 0.00 -4.23 -1.24 -5.00 115.64 100.26 2wdx s THR 415 Ca -0.04 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.68 2wdx s THR 415 Cb 0.15 -2.35 0.21 0.00 1.34 0.00 0.00 72.50 71.85 2wdx s THR 415 CO 0.58 0.00 1.67 0.00 -0.54 0.00 0.00 174.62 176.34 2wdx n ALA 416 N -0.86 1.85 -2.59 3.99 0.00 -1.13 -4.56 120.51 117.20 2wdx n ALA 416 Ca -0.03 -0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.98 2wdx n ALA 416 Cb 0.64 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.70 2wdx n ALA 416 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wdx s LEU 417 N -3.81 3.91 0.42 0.00 1.43 -1.21 -4.68 118.68 114.73 2wdx s LEU 417 Ca 0.07 0.40 0.22 0.00 -1.03 0.00 0.00 54.13 53.80 2wdx s LEU 417 Cb 0.11 -3.32 0.76 0.00 0.03 0.00 0.00 46.19 43.77 2wdx s LEU 417 CO 0.40 -1.03 1.76 1.55 0.23 0.00 0.00 176.35 179.26 2wdx h PRO 418 N 8.87 0.00 -5.56 1.29 0.13 -1.81 -3.44 132.00 131.49 2wdx h PRO 418 Ca -0.23 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.26 2wdx h PRO 418 Cb 1.07 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.06 2wdx h PRO 418 CO 1.04 0.26 1.00 -0.65 -0.23 0.00 0.00 178.00 179.41 2wdx s GLN 419 N -3.52 3.46 -0.16 0.86 1.11 -1.26 -4.56 119.66 115.59 2wdx s GLN 419 Ca 0.01 -1.25 0.14 0.00 0.01 0.00 0.00 55.36 54.28 2wdx s GLN 419 Cb 0.10 -4.85 0.38 0.00 -1.01 0.00 0.00 33.01 27.63 2wdx s GLN 419 CO 0.65 -1.95 1.19 0.54 0.01 0.00 0.00 175.29 175.74 2wdx n ARG 420 N 7.74 1.27 0.00 2.91 5.12 -1.26 -4.57 116.66 127.87 2wdx n ARG 420 Ca 0.19 -2.92 0.00 0.00 -1.93 0.00 0.00 57.85 53.19 2wdx n ARG 420 Cb 0.49 -1.36 0.00 0.00 -1.16 0.00 0.00 32.46 30.43 2wdx n ARG 420 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2wdx n ASP 421 N -0.94 3.76 -4.78 0.55 -0.08 -1.26 -4.41 116.55 109.38 2wdx n ASP 421 Ca 0.16 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 53.11 2wdx n ASP 421 Cb 0.74 0.71 0.02 0.00 2.34 0.00 0.00 41.12 44.92 2wdx n ASP 421 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2wdx s ALA 422 N -1.53 2.65 -0.01 -1.67 0.00 -1.26 -4.82 121.76 115.12 2wdx s ALA 422 Ca 0.00 0.59 0.08 0.00 0.00 0.00 0.00 51.96 52.63 2wdx s ALA 422 Cb 0.00 -3.30 -0.13 0.00 0.00 0.00 0.00 23.12 19.70 2wdx s ALA 422 CO 0.00 -0.90 0.17 0.44 0.00 0.00 0.00 175.76 175.48 2wdx n ILE 423 N -1.84 0.02 -3.83 0.00 -0.00 -0.78 -3.29 119.36 109.64 2wdx n ILE 423 Ca 0.10 -0.19 -0.12 0.00 -0.00 0.00 0.00 62.75 62.54 2wdx n ILE 423 Cb 0.52 0.26 -0.11 0.00 -0.00 0.00 0.00 39.64 40.31 2wdx n ILE 423 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 2wdx s LEU 424 N -3.62 1.36 0.02 7.28 1.43 -1.13 -0.30 118.68 123.72 2wdx s LEU 424 Ca -0.03 0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.21 2wdx s LEU 424 Cb 0.05 0.71 -0.03 0.00 0.03 0.00 0.00 46.19 46.95 2wdx s LEU 424 CO 0.34 -0.23 -0.07 -0.54 0.23 0.00 0.00 176.35 176.08 2wdx s LYS 425 N -0.65 2.50 -0.05 1.70 1.02 -0.45 -0.95 119.74 122.87 2wdx s LYS 425 Ca -0.07 -0.76 0.02 0.00 0.02 0.00 0.00 55.97 55.17 2wdx s LYS 425 Cb -0.04 -2.48 0.02 0.00 -0.52 0.00 0.00 37.83 34.80 2wdx s LYS 425 CO 0.01 0.59 -0.08 0.54 -0.92 0.00 0.00 175.35 175.49 2wdx s VAL 426 N -1.03 0.76 0.01 3.17 0.11 -0.26 -0.63 120.40 122.54 2wdx s VAL 426 Ca 0.18 -0.28 0.06 0.00 -2.93 0.00 0.00 61.98 59.02 2wdx s VAL 426 Cb -0.11 -0.73 -0.03 0.00 -1.53 0.00 0.00 36.38 33.98 2wdx s VAL 426 CO 0.09 0.27 -0.18 0.20 -3.33 0.00 0.00 175.10 172.14 2wdx s ASN 427 N 0.69 3.73 -0.32 3.54 0.01 -0.70 -1.24 114.94 120.65 2wdx s ASN 427 Ca -0.11 -0.38 0.01 0.00 -0.71 0.00 0.00 52.86 51.66 2wdx s ASN 427 Cb -0.14 -0.62 0.08 0.00 0.41 0.00 0.00 41.25 40.98 2wdx s ASN 427 CO 0.01 0.29 0.03 -0.31 -1.51 0.00 0.00 177.10 175.61 2wdx s TYR 428 N -0.83 3.47 -0.05 2.20 1.51 0.24 -0.76 117.35 123.12 2wdx s TYR 428 Ca 0.13 -2.38 0.02 0.00 -1.01 0.00 0.00 57.07 53.83 2wdx s TYR 428 Cb -0.10 -2.52 -0.03 0.00 -0.11 0.00 0.00 41.96 39.20 2wdx s TYR 428 CO 0.03 -0.89 -0.09 0.42 -1.11 0.00 0.00 175.55 173.91 2wdx s ILE 429 N 1.10 3.54 -0.01 2.71 -1.09 0.27 -0.89 121.20 126.84 2wdx s ILE 429 Ca 0.01 -0.60 -0.04 0.00 -2.23 0.00 0.00 60.65 57.79 2wdx s ILE 429 Cb -0.20 -2.45 -0.00 0.00 -1.58 0.00 0.00 42.46 38.22 2wdx s ILE 429 CO -0.04 0.56 0.08 0.28 -1.23 0.00 0.00 174.94 174.58 2wdx s THR 430 N -0.83 0.06 -0.00 2.92 -1.32 -0.55 0.00 115.64 115.92 2wdx s THR 430 Ca 0.13 -0.52 -0.08 0.00 -1.21 0.00 0.00 61.69 60.01 2wdx s THR 430 Cb -0.11 -0.28 0.00 0.00 -1.51 0.00 0.00 72.50 70.60 2wdx s THR 430 CO 0.02 -0.28 0.16 -0.83 -2.21 0.00 0.00 174.62 171.48 2wdx s GLY 431 N -0.92 0.01 -0.01 6.08 0.00 0.68 -0.05 107.32 113.11 2wdx s GLY 431 Ca -0.10 -0.05 0.00 0.00 0.00 0.00 0.00 44.72 44.57 2wdx s GLY 431 CO 0.00 -0.19 -0.00 0.66 0.00 0.00 0.00 173.10 173.57 2wdx s TRP 432 N -1.32 0.17 -0.00 1.90 -2.14 -0.96 -1.10 118.94 115.48 2wdx s TRP 432 Ca -0.14 0.01 -0.25 0.00 2.66 0.00 0.00 56.10 58.39 2wdx s TRP 432 Cb -0.07 -0.22 -0.18 0.00 -3.10 0.00 0.00 33.47 29.91 2wdx s TRP 432 CO 0.02 -0.06 1.25 0.00 -2.66 0.00 0.00 176.95 175.50 2wdx h ALA 433 N 6.69 -0.20 -2.79 2.67 0.00 -1.95 -3.35 119.26 120.34 2wdx h ALA 433 Ca -0.35 -0.19 -0.65 0.00 0.00 0.00 0.00 54.91 53.72 2wdx h ALA 433 Cb 1.17 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 2wdx h ALA 433 CO 0.49 -0.41 -0.46 1.21 0.00 0.00 0.00 179.25 180.08 2wdx s ASN 434 N -5.36 6.38 0.42 0.00 3.84 -1.26 -4.87 114.94 114.09 2wdx s ASN 434 Ca -0.15 0.46 0.13 0.00 0.21 0.00 0.00 52.86 53.51 2wdx s ASN 434 Cb 0.02 -2.09 0.98 0.00 -0.55 0.00 0.00 41.25 39.62 2wdx s ASN 434 CO 0.60 0.35 1.94 -0.65 -2.79 0.00 0.00 177.10 176.54 2wdx h PRO 435 N 5.36 0.47 0.00 0.43 0.11 -2.01 -1.84 132.00 134.52 2wdx h PRO 435 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2wdx h PRO 435 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2wdx h PRO 435 CO 0.63 0.31 0.00 0.41 -0.21 0.00 0.00 178.00 179.13 2wdx n GLY 436 N -1.50 -0.46 1.15 -0.55 0.00 -1.26 -2.21 105.19 100.36 2wdx n GLY 436 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 2wdx n GLY 436 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wdx n ASN 437 N -1.29 3.19 -0.07 1.61 5.03 -0.69 -4.63 115.26 118.40 2wdx n ASN 437 Ca 0.02 -3.45 -0.13 0.00 0.87 0.00 0.00 54.58 51.89 2wdx n ASN 437 Cb 0.04 -0.62 -0.06 0.00 -1.02 0.00 0.00 39.78 38.13 2wdx n ASN 437 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 2wdx h GLU 438 N 1.36 0.54 -0.56 3.52 4.81 -1.63 -3.27 114.58 119.35 2wdx h GLU 438 Ca 0.17 -0.29 0.09 0.00 -0.13 0.00 0.00 59.36 59.19 2wdx h GLU 438 Cb 1.68 0.02 -0.10 0.00 0.63 0.00 0.00 28.75 30.97 2wdx h GLU 438 CO 0.39 0.88 -0.43 0.00 -0.73 0.00 0.00 179.01 179.12 2wdx h ALA 439 N 0.65 -0.32 -0.78 2.92 0.00 -1.85 -1.05 119.26 118.82 2wdx h ALA 439 Ca 0.03 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 2wdx h ALA 439 Cb 0.80 0.94 -0.04 0.00 0.00 0.00 0.00 17.79 19.49 2wdx h ALA 439 CO 0.06 -0.82 0.48 -0.22 0.00 0.00 0.00 179.25 178.74 2wdx h LYS 440 N -0.23 1.05 -0.16 0.00 1.63 -1.91 -2.57 116.57 114.38 2wdx h LYS 440 Ca 0.18 -0.09 -0.15 0.00 -0.85 0.00 0.00 60.65 59.74 2wdx h LYS 440 Cb 0.56 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 2wdx h LYS 440 CO -0.68 0.73 -0.48 0.45 -3.45 0.00 0.00 179.45 176.02 2wdx h HIS 441 N 1.06 0.79 -0.34 1.91 3.86 -1.49 -2.23 115.15 118.71 2wdx h HIS 441 Ca 0.28 -0.32 0.04 0.00 -1.16 0.00 0.00 60.37 59.21 2wdx h HIS 441 Cb -0.06 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 28.24 2wdx h HIS 441 CO -0.01 1.09 0.12 -0.07 0.86 0.00 0.00 177.93 179.92 2wdx h LEU 442 N 0.26 0.13 -0.71 2.43 3.38 -1.11 -1.67 115.31 118.01 2wdx h LEU 442 Ca -0.02 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 2wdx h LEU 442 Cb 1.11 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.85 2wdx h LEU 442 CO 0.10 0.11 0.26 0.71 0.09 0.00 0.00 178.44 179.71 2wdx h THR 443 N 0.26 1.25 0.38 0.22 1.35 -1.47 -2.09 112.91 112.81 2wdx h THR 443 Ca 0.15 -0.81 -0.01 0.00 -0.55 0.00 0.00 66.41 65.20 2wdx h THR 443 Cb 0.13 0.45 -0.01 0.00 -1.73 0.00 0.00 68.15 66.99 2wdx h THR 443 CO -0.16 0.32 -0.29 -0.25 -0.25 0.00 0.00 175.52 174.89 2wdx h TRP 444 N 1.02 -0.77 -0.23 4.73 7.01 -1.06 0.11 115.95 126.76 2wdx h TRP 444 Ca 0.23 -0.00 -0.07 0.00 2.11 0.00 0.00 58.89 61.17 2wdx h TRP 444 Cb 0.24 0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 2wdx h TRP 444 CO 0.02 -0.43 -0.14 -0.24 -2.79 0.00 0.00 178.44 174.85 2wdx h VAL 445 N -0.66 1.22 -0.39 2.65 3.04 -1.23 -0.30 116.25 120.57 2wdx h VAL 445 Ca -0.03 -0.96 -0.14 0.00 -1.01 0.00 0.00 66.70 64.55 2wdx h VAL 445 Cb 0.57 1.21 -0.01 0.00 -2.01 0.00 0.00 31.29 31.05 2wdx h VAL 445 CO -0.00 0.31 -0.30 0.03 -1.01 0.00 0.00 177.57 176.59 2wdx h ARG 446 N 0.35 0.89 0.03 4.17 3.08 -1.28 -0.55 114.38 121.07 2wdx h ARG 446 Ca 0.07 -0.44 0.03 0.00 0.07 0.00 0.00 59.98 59.71 2wdx h ARG 446 Cb 0.47 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.47 2wdx h ARG 446 CO 0.03 1.09 -0.29 0.87 -1.07 0.00 0.00 179.97 180.59 2wdx h LYS 447 N 0.70 -0.44 -0.29 0.04 1.57 0.02 0.35 116.57 118.52 2wdx h LYS 447 Ca 0.07 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 2wdx h LYS 447 Cb 0.89 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.26 2wdx h LYS 447 CO 0.08 -0.29 0.09 1.25 -0.57 0.00 0.00 179.45 180.00 2wdx h LEU 448 N -0.46 0.08 0.47 2.94 7.12 -0.97 -1.29 115.31 123.20 2wdx h LEU 448 Ca 0.05 0.04 -0.02 0.00 0.13 0.00 0.00 57.88 58.08 2wdx h LEU 448 Cb 0.53 0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.70 2wdx h LEU 448 CO -0.23 0.08 -0.22 0.22 -0.13 0.00 0.00 178.44 178.15 2wdx h TYR 449 N 0.21 -0.58 -0.92 1.25 3.20 -0.94 -2.33 116.97 116.86 2wdx h TYR 449 Ca 0.13 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2wdx h TYR 449 Cb 0.11 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 2wdx h TYR 449 CO -0.14 -0.32 0.57 0.00 -1.64 0.00 0.00 178.16 176.63 2wdx h ALA 450 N -0.20 1.17 -0.22 1.82 0.00 -0.81 -1.85 119.26 119.17 2wdx h ALA 450 Ca -0.06 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.79 2wdx h ALA 450 Cb 0.52 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2wdx h ALA 450 CO 0.11 0.60 0.04 -0.44 0.00 0.00 0.00 179.25 179.56 2wdx h ASP 451 N 1.26 0.01 -0.32 0.00 3.32 -1.23 0.70 116.42 120.16 2wdx h ASP 451 Ca 0.33 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 2wdx h ASP 451 Cb -0.09 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2wdx h ASP 451 CO -0.07 0.04 0.18 0.58 -1.72 0.00 0.00 179.24 178.25 2wdx h VAL 452 N 0.13 1.12 -0.18 -1.35 2.07 -0.99 -2.92 116.25 114.13 2wdx h VAL 452 Ca 0.10 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2wdx h VAL 452 Cb 0.09 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2wdx h VAL 452 CO -0.13 0.13 -0.01 -1.22 0.02 0.00 0.00 177.57 176.36 2wdx n TYR 453 N -4.43 0.64 -0.19 1.57 4.01 -0.73 -4.75 117.16 113.27 2wdx n TYR 453 Ca 0.02 -0.95 -0.01 0.00 -0.16 0.00 0.00 57.90 56.80 2wdx n TYR 453 Cb 0.10 -0.27 0.10 0.00 -0.31 0.00 0.00 39.34 38.96 2wdx n TYR 453 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2wdx h ALA 454 N 1.18 0.73 -0.56 -0.72 0.00 0.61 0.22 119.26 120.72 2wdx h ALA 454 Ca 0.01 0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.17 2wdx h ALA 454 Cb 1.31 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 2wdx h ALA 454 CO 0.16 -0.21 0.48 0.93 0.00 0.00 0.00 179.25 180.61 2wdx h GLU 455 N 0.38 0.00 -1.15 0.00 4.39 -1.84 -3.09 114.58 113.27 2wdx h GLU 455 Ca 0.29 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.43 2wdx h GLU 455 Cb 0.36 0.00 -0.42 0.00 -0.10 0.00 0.00 28.75 28.58 2wdx h GLU 455 CO -0.30 0.00 -0.79 0.25 -1.16 0.00 0.00 179.01 177.01 2wdx n THR 456 N -4.01 2.39 -2.25 1.13 -2.24 0.44 -4.93 114.28 104.81 2wdx n THR 456 Ca 0.11 -4.55 -0.16 0.00 -2.27 0.00 0.00 64.05 57.18 2wdx n THR 456 Cb 0.71 -1.13 -0.01 0.00 -2.10 0.00 0.00 70.33 67.80 2wdx n THR 456 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wdx n GLY 457 N -0.58 -0.17 2.21 3.38 0.00 -1.17 -2.89 105.19 105.97 2wdx n GLY 457 Ca 0.40 -0.22 -0.02 0.00 0.00 0.00 0.00 46.02 46.19 2wdx n GLY 457 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdx n GLY 458 N -1.02 0.50 3.06 -0.02 0.00 0.49 -2.09 105.19 106.11 2wdx n GLY 458 Ca -0.19 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.46 2wdx n GLY 458 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wdx s VAL 459 N -1.89 0.43 -1.24 1.61 -7.23 -1.14 -4.35 120.40 106.59 2wdx s VAL 459 Ca 0.00 -1.22 -0.12 0.00 -1.81 0.00 0.00 61.98 58.83 2wdx s VAL 459 Cb 0.00 -0.75 -0.06 0.00 0.56 0.00 0.00 36.38 36.13 2wdx s VAL 459 CO 0.00 -0.53 2.35 -0.81 -0.31 0.00 0.00 175.10 175.80 2wdx n PRO 460 N 1.18 2.64 -1.64 4.82 -0.05 -1.26 -4.64 135.00 136.04 2wdx n PRO 460 Ca -0.21 -2.06 -0.48 0.00 -0.05 0.00 0.00 63.50 60.70 2wdx n PRO 460 Cb 0.56 -2.87 -0.05 0.00 -0.05 0.00 0.00 33.50 31.09 2wdx n PRO 460 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 175.50 175.73 2wdx n VAL 461 N 4.63 0.06 -1.66 0.52 0.31 -1.26 -1.45 118.33 119.48 2wdx n VAL 461 Ca 0.57 -0.02 -0.47 0.00 -0.01 0.00 0.00 64.34 64.42 2wdx n VAL 461 Cb 0.28 -1.29 -0.04 0.00 -0.91 0.00 0.00 33.84 31.87 2wdx n VAL 461 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2wdx n PRO 462 N 3.04 2.01 -2.54 5.55 -0.02 -1.26 -4.51 135.00 137.27 2wdx n PRO 462 Ca 0.17 0.73 -0.05 0.00 -2.02 0.00 0.00 63.50 62.32 2wdx n PRO 462 Cb 0.26 -2.49 0.01 0.00 -0.02 0.00 0.00 33.50 31.26 2wdx n PRO 462 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2wdx n ASN 463 N 3.65 -1.10 0.01 2.55 5.15 0.67 -4.96 115.26 121.23 2wdx n ASN 463 Ca 0.18 -1.87 0.13 0.00 -0.60 0.00 0.00 54.58 52.41 2wdx n ASN 463 Cb 0.27 1.87 0.37 0.00 -0.53 0.00 0.00 39.78 41.76 2wdx n ASN 463 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2wdx n ASP 464 N -1.41 0.37 -0.05 1.20 3.85 -1.26 -4.21 116.55 115.04 2wdx n ASP 464 Ca -0.04 0.08 -0.06 0.00 -0.71 0.00 0.00 54.79 54.07 2wdx n ASP 464 Cb 0.31 -0.06 -0.08 0.00 -1.35 0.00 0.00 41.12 39.95 2wdx n ASP 464 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 2wdx n VAL 465 N -1.61 0.70 -4.43 2.12 3.14 -1.26 -4.10 118.33 112.89 2wdx n VAL 465 Ca 0.06 -0.40 -0.22 0.00 -2.96 0.00 0.00 64.34 60.81 2wdx n VAL 465 Cb 0.35 -0.77 -0.10 0.00 -1.06 0.00 0.00 33.84 32.26 2wdx n VAL 465 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2wdx s SER 466 N -4.42 3.25 -0.23 6.55 0.01 -1.26 -1.03 113.70 116.58 2wdx s SER 466 Ca -0.07 -1.01 0.22 0.00 1.31 0.00 0.00 55.95 56.40 2wdx s SER 466 Cb 0.03 -0.24 0.48 0.00 0.21 0.00 0.00 66.02 66.49 2wdx s SER 466 CO 0.39 -0.02 1.17 -0.67 0.41 0.00 0.00 173.24 174.52 2wdx n ASP 467 N -0.46 1.09 0.00 2.44 2.03 -0.93 -0.24 116.55 120.48 2wdx n ASP 467 Ca -0.07 -2.04 0.00 0.00 0.52 0.00 0.00 54.79 53.20 2wdx n ASP 467 Cb 0.60 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.69 2wdx n ASP 467 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wdx n GLY 468 N -0.53 -0.13 3.27 0.27 0.00 -0.53 -4.71 105.19 102.82 2wdx n GLY 468 Ca 0.03 -1.31 -0.16 0.00 0.00 0.00 0.00 46.02 44.58 2wdx n GLY 468 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdx s ALA 469 N -1.44 1.62 -0.25 4.61 0.00 -0.17 -0.61 121.76 125.52 2wdx s ALA 469 Ca 0.00 -1.84 -0.08 0.00 0.00 0.00 0.00 51.96 50.04 2wdx s ALA 469 Cb 0.00 1.35 -0.03 0.00 0.00 0.00 0.00 23.12 24.44 2wdx s ALA 469 CO 0.00 -0.59 0.09 -0.47 0.00 0.00 0.00 175.76 174.79 2wdx s TYR 470 N -3.77 3.12 0.44 0.00 5.04 -1.26 -4.18 117.35 116.74 2wdx s TYR 470 Ca 0.39 -0.29 0.14 0.00 -2.44 0.00 0.00 57.07 54.87 2wdx s TYR 470 Cb 0.05 -2.26 1.03 0.00 0.35 0.00 0.00 41.96 41.13 2wdx s TYR 470 CO 0.19 -0.29 1.99 0.97 -1.34 0.00 0.00 175.55 177.07 2wdx h ILE 471 N 5.47 0.91 0.00 3.14 6.09 -1.88 0.26 117.51 131.51 2wdx h ILE 471 Ca -0.38 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 62.98 2wdx h ILE 471 Cb 1.18 0.47 0.00 0.00 0.47 0.00 0.00 36.82 38.94 2wdx h ILE 471 CO 0.58 0.07 0.00 0.59 -3.07 0.00 0.00 178.15 176.32 2wdx n ASN 472 N -4.47 0.10 -3.54 2.19 3.02 -1.25 -2.42 115.26 108.89 2wdx n ASN 472 Ca 0.09 0.53 -0.30 0.00 -0.03 0.00 0.00 54.58 54.87 2wdx n ASN 472 Cb 0.35 -0.55 -0.06 0.00 -0.61 0.00 0.00 39.78 38.91 2wdx n ASN 472 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2wdx n TYR 473 N -1.62 3.37 -1.78 3.10 4.01 0.08 -4.83 117.16 119.50 2wdx n TYR 473 Ca 0.02 -3.82 -0.34 0.00 -0.16 0.00 0.00 57.90 53.60 2wdx n TYR 473 Cb 0.10 -0.70 0.05 0.00 -0.31 0.00 0.00 39.34 38.48 2wdx n TYR 473 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2wdx s PRO 474 N -2.57 2.76 -0.30 -0.72 0.04 -1.02 -4.75 135.00 128.44 2wdx s PRO 474 Ca 0.38 1.52 0.02 0.00 0.04 0.00 0.00 61.00 62.96 2wdx s PRO 474 Cb 0.13 -1.93 0.16 0.00 0.04 0.00 0.00 34.50 32.89 2wdx s PRO 474 CO 0.01 -1.31 0.40 0.34 0.04 0.00 0.00 177.00 176.48 2wdx s ASP 475 N -2.31 0.59 0.25 6.66 2.15 -1.26 -4.58 116.67 118.17 2wdx s ASP 475 Ca 0.70 -0.57 0.20 0.00 0.43 0.00 0.00 52.55 53.31 2wdx s ASP 475 Cb -0.23 0.99 0.96 0.00 -0.30 0.00 0.00 42.92 44.34 2wdx s ASP 475 CO 0.40 -0.35 1.61 -1.54 -0.17 0.00 0.00 175.17 175.12 2wdx n SER 476 N 5.21 0.52 0.27 -0.34 3.41 -1.26 -1.99 113.62 119.44 2wdx n SER 476 Ca 0.02 0.68 0.10 0.00 -0.26 0.00 0.00 58.87 59.41 2wdx n SER 476 Cb 0.49 -0.77 0.73 0.00 -0.26 0.00 0.00 64.21 64.39 2wdx n SER 476 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2wdx h ASP 477 N 0.00 0.00 0.40 4.04 3.32 -1.95 0.11 116.42 122.33 2wdx h ASP 477 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2wdx h ASP 477 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2wdx h ASP 477 CO 0.00 0.02 0.00 -0.07 -1.72 0.00 0.00 179.24 177.47 2wdx h LEU 478 N 0.00 0.00 -1.08 1.55 3.38 -1.78 -2.78 115.31 114.60 2wdx h LEU 478 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wdx h LEU 478 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2wdx h LEU 478 CO 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 178.44 178.20 2wdx n ALA 479 N -1.91 3.20 -2.57 1.53 0.00 0.36 -3.39 120.51 117.73 2wdx n ALA 479 Ca -0.00 -0.60 -0.42 0.00 0.00 0.00 0.00 53.44 52.41 2wdx n ALA 479 Cb 0.15 -0.67 -0.05 0.00 0.00 0.00 0.00 19.45 18.88 2wdx n ALA 479 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2wdx s ASP 480 N -2.07 6.49 0.00 0.00 3.68 -1.05 -4.95 116.67 118.78 2wdx s ASP 480 Ca 0.17 0.20 0.09 0.00 2.13 0.00 0.00 52.55 55.13 2wdx s ASP 480 Cb 0.15 -2.38 0.37 0.00 -1.45 0.00 0.00 42.92 39.61 2wdx s ASP 480 CO 0.44 -0.76 1.27 -0.81 0.13 0.00 0.00 175.17 175.45 2wdx n PRO 481 N 6.43 0.00 0.05 4.34 -0.04 -1.26 0.14 135.00 144.66 2wdx n PRO 481 Ca 0.02 0.36 -0.12 0.00 -0.04 0.00 0.00 63.50 63.72 2wdx n PRO 481 Cb 0.48 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.30 2wdx n PRO 481 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2wdx h GLY 482 N 1.44 0.15 0.63 0.55 0.00 -1.93 -3.36 103.07 100.56 2wdx h GLY 482 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.96 2wdx h GLY 482 CO 0.00 0.33 -1.32 1.04 0.00 0.00 0.00 176.54 176.59 2wdx n LEU 483 N -3.36 0.55 -3.86 3.11 7.99 0.12 -4.81 117.00 116.74 2wdx n LEU 483 Ca -0.10 0.18 -0.30 0.00 -0.01 0.00 0.00 56.01 55.78 2wdx n LEU 483 Cb 1.01 -0.05 -0.14 0.00 -0.11 0.00 0.00 43.42 44.13 2wdx n LEU 483 CO 0.49 -0.10 -0.27 0.21 -1.51 0.00 0.00 177.39 176.21 2wdx s ASN 484 N -4.91 4.20 0.00 -1.43 2.47 0.12 -4.62 114.94 110.77 2wdx s ASN 484 Ca -0.02 -2.37 0.23 0.00 0.42 0.00 0.00 52.86 51.12 2wdx s ASN 484 Cb 0.12 -1.30 0.22 0.00 -1.45 0.00 0.00 41.25 38.83 2wdx s ASN 484 CO 0.83 -0.32 1.25 0.35 -3.72 0.00 0.00 177.10 175.49 2wdx n THR 485 N 3.92 0.08 -2.83 -5.21 -2.24 -0.89 -4.51 114.28 102.61 2wdx n THR 485 Ca 0.04 -0.54 -0.43 0.00 -2.27 0.00 0.00 64.05 60.85 2wdx n THR 485 Cb 0.38 1.40 -0.04 0.00 -2.10 0.00 0.00 70.33 69.97 2wdx n THR 485 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2wdx s SER 486 N -1.85 6.43 0.00 3.42 1.04 -1.25 -4.85 113.70 116.64 2wdx s SER 486 Ca 0.29 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.65 2wdx s SER 486 Cb 0.20 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.87 2wdx s SER 486 CO 0.29 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 174.00 2wdx n GLY 487 N 5.01 0.00 3.50 7.32 0.00 -1.26 -4.40 105.19 115.35 2wdx n GLY 487 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 2wdx n GLY 487 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdx s VAL 488 N -0.09 4.99 0.76 1.61 1.01 -1.26 -5.08 120.40 122.34 2wdx s VAL 488 Ca 0.00 -0.14 -0.12 0.00 0.00 0.00 0.00 61.98 61.72 2wdx s VAL 488 Cb 0.00 -4.09 0.06 0.00 0.00 0.00 0.00 36.38 32.34 2wdx s VAL 488 CO 0.00 -0.47 1.13 -2.16 0.00 0.00 0.00 175.10 173.60 2wdx s PRO 489 N 2.40 2.14 0.40 2.72 0.04 -1.26 -4.87 135.00 136.56 2wdx s PRO 489 Ca 0.16 1.40 0.21 0.00 0.04 0.00 0.00 61.00 62.82 2wdx s PRO 489 Cb -0.16 -1.87 1.20 0.00 0.04 0.00 0.00 34.50 33.72 2wdx s PRO 489 CO 0.15 -1.77 1.69 0.11 0.04 0.00 0.00 177.00 177.23 2wdx h TRP 490 N -0.82 0.69 0.00 0.56 5.08 -1.94 -1.45 115.95 118.07 2wdx h TRP 490 Ca -0.45 0.03 -0.03 0.00 1.08 0.00 0.00 58.89 59.52 2wdx h TRP 490 Cb 1.25 -0.19 -0.00 0.00 -3.00 0.00 0.00 29.16 27.22 2wdx h TRP 490 CO 0.54 -0.09 -0.12 1.12 -1.28 0.00 0.00 178.44 178.61 2wdx h HIS 491 N 0.28 0.00 0.06 0.12 2.07 -1.90 -2.86 115.15 112.91 2wdx h HIS 491 Ca 0.71 0.00 -0.24 0.00 -2.85 0.00 0.00 60.37 57.99 2wdx h HIS 491 Cb 1.90 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.87 2wdx h HIS 491 CO -0.01 0.12 -1.09 -0.44 -3.07 0.00 0.00 177.93 173.45 2wdx h ASP 492 N 0.00 0.21 -0.24 3.10 3.45 -1.60 -0.09 116.42 121.25 2wdx h ASP 492 Ca -0.00 -0.22 -0.00 0.00 0.43 0.00 0.00 57.03 57.24 2wdx h ASP 492 Cb 0.87 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.56 2wdx h ASP 492 CO 0.02 1.15 0.13 -0.07 -1.57 0.00 0.00 179.24 178.90 2wdx h LEU 493 N 0.04 0.30 -0.05 1.55 3.38 -1.43 0.02 115.31 119.12 2wdx h LEU 493 Ca -0.07 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2wdx h LEU 493 Cb 1.82 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.50 2wdx h LEU 493 CO 0.16 0.29 -0.13 1.88 0.09 0.00 0.00 178.44 180.73 2wdx h TYR 494 N 0.28 0.23 0.00 1.13 0.05 -1.58 -0.42 116.97 116.67 2wdx h TYR 494 Ca 0.09 -0.09 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2wdx h TYR 494 Cb 0.06 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 37.76 2wdx h TYR 494 CO -0.04 0.74 -1.11 0.66 -1.05 0.00 0.00 178.16 177.36 2wdx n TYR 495 N -4.63 0.00 0.00 4.88 4.01 -0.05 -4.64 117.16 116.74 2wdx n TYR 495 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 2wdx n TYR 495 Cb 0.38 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 2wdx n TYR 495 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2wdx n LYS 496 N -1.64 0.00 0.11 -0.72 5.02 -0.01 -0.59 118.16 120.33 2wdx n LYS 496 Ca -0.00 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.38 2wdx n LYS 496 Cb 0.24 0.00 0.44 0.00 -0.02 0.00 0.00 35.03 35.69 2wdx n LYS 496 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdx n GLY 497 N 0.00 -1.01 0.06 0.72 0.00 -1.26 -2.45 105.19 101.25 2wdx n GLY 497 Ca 0.00 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.24 2wdx n GLY 497 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wdx n ASN 498 N -2.06 0.66 -0.15 1.61 3.02 0.24 -4.30 115.26 114.28 2wdx n ASN 498 Ca 0.01 0.13 -0.05 0.00 -0.03 0.00 0.00 54.58 54.64 2wdx n ASN 498 Cb 0.13 0.06 0.01 0.00 -0.61 0.00 0.00 39.78 39.37 2wdx n ASN 498 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 2wdx h HIS 499 N 0.00 -0.69 -0.41 3.10 2.76 -1.49 -2.03 115.15 116.39 2wdx h HIS 499 Ca 0.00 0.06 0.05 0.00 -2.20 0.00 0.00 60.37 58.28 2wdx h HIS 499 Cb 0.71 0.38 -0.05 0.00 1.55 0.00 0.00 27.41 30.00 2wdx h HIS 499 CO 0.00 -0.34 0.14 -1.35 -1.30 0.00 0.00 177.93 175.09 2wdx h PRO 500 N -0.15 0.30 -0.78 5.26 0.11 -1.84 0.32 132.00 135.22 2wdx h PRO 500 Ca 0.22 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.32 2wdx h PRO 500 Cb 0.50 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.51 2wdx h PRO 500 CO -0.58 0.20 0.51 -0.09 -0.21 0.00 0.00 178.00 177.83 2wdx h ARG 501 N 0.31 1.02 -0.59 1.05 2.43 -1.73 -1.17 114.38 115.69 2wdx h ARG 501 Ca 0.19 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.36 2wdx h ARG 501 Cb 0.17 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 29.44 2wdx h ARG 501 CO -0.19 0.67 0.29 -0.07 -1.51 0.00 0.00 179.97 179.16 2wdx h LEU 502 N 1.05 0.39 -1.34 3.80 3.38 -0.69 -0.54 115.31 121.37 2wdx h LEU 502 Ca 0.29 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.26 2wdx h LEU 502 Cb -0.11 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2wdx h LEU 502 CO -0.06 0.26 0.06 0.03 0.09 0.00 0.00 178.44 178.81 2wdx h ARG 503 N 0.54 0.51 -0.21 1.13 3.08 -0.23 -1.63 114.38 117.57 2wdx h ARG 503 Ca 0.27 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 60.14 2wdx h ARG 503 Cb 0.22 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 2wdx h ARG 503 CO -0.21 0.49 -0.27 -0.22 -1.07 0.00 0.00 179.97 178.69 2wdx h LYS 504 N 0.50 0.55 -0.38 0.04 3.64 -0.63 -2.22 116.57 118.07 2wdx h LYS 504 Ca 0.11 -0.31 0.06 0.00 -1.27 0.00 0.00 60.65 59.24 2wdx h LYS 504 Cb 0.23 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.02 2wdx h LYS 504 CO 0.00 0.91 0.04 0.28 -2.27 0.00 0.00 179.45 178.41 2wdx h VAL 505 N 0.22 0.77 -0.03 2.00 2.07 -1.01 0.12 116.25 120.39 2wdx h VAL 505 Ca 0.02 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.52 2wdx h VAL 505 Cb 0.84 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 2wdx h VAL 505 CO 0.06 0.03 -0.52 0.50 0.02 0.00 0.00 177.57 177.66 2wdx h LYS 506 N 0.16 -0.62 -0.91 1.57 1.63 -1.22 0.59 116.57 117.77 2wdx h LYS 506 Ca 0.18 0.04 0.07 0.00 -0.85 0.00 0.00 60.65 60.10 2wdx h LYS 506 Cb 0.24 0.14 -0.06 0.00 -0.60 0.00 0.00 32.23 31.94 2wdx h LYS 506 CO -0.27 -0.41 0.59 0.00 -3.45 0.00 0.00 179.45 175.91 2wdx h ALA 507 N -0.33 1.53 0.00 5.00 0.00 -1.22 0.54 119.26 124.78 2wdx h ALA 507 Ca 0.02 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2wdx h ALA 507 Cb 0.71 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2wdx h ALA 507 CO -0.37 0.31 -0.33 0.00 0.00 0.00 0.00 179.25 178.87 2wdx h ALA 508 N 1.52 0.87 0.00 0.00 0.00 -0.21 -3.28 119.26 118.15 2wdx h ALA 508 Ca 0.40 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2wdx h ALA 508 Cb 0.25 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2wdx h ALA 508 CO -0.16 0.41 -1.10 0.66 0.00 0.00 0.00 179.25 179.06 2wdx n TYR 509 N -3.30 0.00 -3.08 0.00 4.01 0.13 -4.75 117.16 110.17 2wdx n TYR 509 Ca 0.01 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.51 2wdx n TYR 509 Cb 0.57 -0.06 -0.04 0.00 -0.31 0.00 0.00 39.34 39.50 2wdx n TYR 509 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2wdx n ASP 510 N -1.80 3.21 0.11 7.72 2.03 0.19 -4.02 116.55 123.99 2wdx n ASP 510 Ca -0.01 -3.42 0.10 0.00 0.52 0.00 0.00 54.79 51.97 2wdx n ASP 510 Cb 0.29 -0.60 0.46 0.00 -0.72 0.00 0.00 41.12 40.55 2wdx n ASP 510 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 2wdx n PRO 511 N 0.14 0.14 0.00 -0.67 -0.04 -1.24 -1.23 135.00 132.10 2wdx n PRO 511 Ca 0.29 0.46 0.13 0.00 -0.04 0.00 0.00 63.50 64.33 2wdx n PRO 511 Cb 0.47 -1.82 0.37 0.00 -0.04 0.00 0.00 33.50 32.48 2wdx n PRO 511 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wdx n ARG 512 N -2.10 1.45 -4.00 0.54 1.74 -1.26 -4.96 116.66 108.07 2wdx n ARG 512 Ca 0.01 -0.95 -0.27 0.00 -0.77 0.00 0.00 57.85 55.87 2wdx n ARG 512 Cb 0.16 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.46 30.10 2wdx n ARG 512 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2wdx n ASN 513 N 0.05 -0.87 0.17 0.55 5.15 -0.37 -4.89 115.26 115.05 2wdx n ASN 513 Ca 0.15 -1.01 0.02 0.00 -0.60 0.00 0.00 54.58 53.15 2wdx n ASN 513 Cb 0.40 -3.01 0.31 0.00 -0.53 0.00 0.00 39.78 36.95 2wdx n ASN 513 CO 0.00 0.00 0.00 -0.74 1.40 0.00 0.00 177.26 177.92 2wdx h HIS 514 N -1.79 0.00 -3.66 1.20 -0.00 -1.93 -3.41 115.15 105.55 2wdx h HIS 514 Ca -0.62 0.00 -0.68 0.00 -0.00 0.00 0.00 60.37 59.07 2wdx h HIS 514 Cb 1.38 0.00 -0.31 0.00 -0.00 0.00 0.00 27.41 28.47 2wdx h HIS 514 CO 0.51 0.45 -0.70 -0.06 -0.00 0.00 0.00 177.93 178.13 2wdx s PHE 515 N -3.88 3.19 0.16 5.26 0.08 -1.26 -4.63 117.98 116.90 2wdx s PHE 515 Ca -0.02 -1.64 -0.20 0.00 0.12 0.00 0.00 56.93 55.19 2wdx s PHE 515 Cb 0.13 -2.12 0.05 0.00 -0.57 0.00 0.00 43.02 40.51 2wdx s PHE 515 CO 0.72 -0.75 0.53 -3.38 -0.10 0.00 0.00 175.22 172.25 2wdx s HIS 516 N 1.31 -0.35 0.19 0.36 -3.43 -1.21 -4.53 115.29 107.62 2wdx s HIS 516 Ca -0.02 0.07 -0.10 0.00 -0.80 0.00 0.00 55.06 54.20 2wdx s HIS 516 Cb -0.18 0.45 0.04 0.00 -1.43 0.00 0.00 32.58 31.45 2wdx s HIS 516 CO -0.01 -0.84 0.52 -2.39 -2.00 0.00 0.00 174.74 170.02 2wdx n HIS 517 N -0.33 -1.53 -0.18 0.38 1.44 -1.26 -4.99 115.22 108.75 2wdx n HIS 517 Ca -0.15 -0.97 0.11 0.00 -2.01 0.00 0.00 57.72 54.70 2wdx n HIS 517 Cb 0.64 0.48 0.42 0.00 0.12 0.00 0.00 29.99 31.65 2wdx n HIS 517 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2wdx h ALA 518 N 2.00 1.88 -0.73 1.59 0.00 -1.93 -1.70 119.26 120.37 2wdx h ALA 518 Ca -0.19 -0.01 -0.51 0.00 0.00 0.00 0.00 54.91 54.21 2wdx h ALA 518 Cb 0.72 -0.13 -0.33 0.00 0.00 0.00 0.00 17.79 18.06 2wdx h ALA 518 CO 0.24 -0.04 -0.25 1.28 0.00 0.00 0.00 179.25 180.48 2wdx n LEU 519 N -4.50 5.45 -4.91 0.00 4.32 -1.26 -5.05 117.00 111.06 2wdx n LEU 519 Ca 0.13 -4.44 -0.27 0.00 -0.02 0.00 0.00 56.01 51.40 2wdx n LEU 519 Cb 0.37 -0.56 -0.01 0.00 -1.62 0.00 0.00 43.42 41.60 2wdx n LEU 519 CO 0.33 1.78 0.37 -0.94 -1.22 0.00 0.00 177.39 177.71 2wdx s SER 520 N -2.95 6.31 0.26 -1.43 1.04 -0.64 -5.00 113.70 111.28 2wdx s SER 520 Ca 0.53 0.83 -0.30 0.00 0.48 0.00 0.00 55.95 57.50 2wdx s SER 520 Cb 0.43 -2.20 -0.10 0.00 0.10 0.00 0.00 66.02 64.25 2wdx s SER 520 CO 0.02 -0.47 1.41 -0.63 0.98 0.00 0.00 173.24 174.54 2wdx s ILE 521 N -2.57 2.72 0.18 -1.02 -1.09 -1.26 -4.92 121.20 113.24 2wdx s ILE 521 Ca 0.46 0.62 -0.30 0.00 -2.23 0.00 0.00 60.65 59.20 2wdx s ILE 521 Cb -0.10 -3.39 -0.08 0.00 -1.58 0.00 0.00 42.46 37.30 2wdx s ILE 521 CO 0.41 0.11 1.22 -0.13 -1.23 0.00 0.00 174.94 175.31 2wdx s ARG 522 N -0.58 4.47 0.00 2.79 0.52 -1.26 -5.04 118.95 119.85 2wdx s ARG 522 Ca 0.57 1.91 0.10 0.00 -0.52 0.00 0.00 55.73 57.79 2wdx s ARG 522 Cb -0.41 -3.24 0.57 0.00 0.52 0.00 0.00 34.95 32.39 2wdx s ARG 522 CO 0.44 -0.13 1.02 -2.30 0.02 0.00 0.00 175.30 174.35