#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 4.24 0.75 0.00 1.43 -1.26 -5.07 118.68 118.77 2wdx s LEU 27 Ca 0.00 0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 53.46 2wdx s LEU 27 Cb 0.00 -3.25 0.05 0.00 0.03 0.00 0.00 46.19 43.02 2wdx s LEU 27 CO 0.00 0.00 1.17 -2.16 0.23 0.00 0.00 176.35 175.59 2wdx s PRO 28 N -2.97 2.12 0.66 1.29 0.04 -1.26 -4.98 135.00 129.90 2wdx s PRO 28 Ca 0.40 1.59 -0.17 0.00 0.04 0.00 0.00 61.00 62.86 2wdx s PRO 28 Cb -0.12 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 32.57 2wdx s PRO 28 CO 0.27 -1.81 1.21 -1.25 0.04 0.00 0.00 177.00 175.46 2wdx s PRO 29 N -4.16 2.58 -0.05 0.56 0.04 -1.26 -4.91 135.00 127.80 2wdx s PRO 29 Ca 0.70 1.79 -0.29 0.00 0.04 0.00 0.00 61.00 63.24 2wdx s PRO 29 Cb -0.25 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.33 2wdx s PRO 29 CO 0.47 -1.50 2.02 0.00 0.04 0.00 0.00 177.00 178.03 2wdx s ALA 30 N -1.78 3.33 1.36 8.56 0.00 -1.26 -4.93 121.76 127.03 2wdx s ALA 30 Ca 0.76 1.13 -0.20 0.00 0.00 0.00 0.00 51.96 53.65 2wdx s ALA 30 Cb -0.30 -3.91 0.31 0.00 0.00 0.00 0.00 23.12 19.22 2wdx s ALA 30 CO 0.39 -1.93 0.69 0.41 0.00 0.00 0.00 175.76 175.32 2wdx n GLY 31 N 4.88 -3.70 3.87 0.00 0.00 -1.26 -3.76 105.19 105.22 2wdx n GLY 31 Ca 0.23 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.74 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 -4.57 3.79 -0.04 1.61 0.04 -1.26 -4.45 135.00 130.13 2wdx s PRO 32 Ca 0.53 0.42 -0.01 0.00 0.04 0.00 0.00 61.00 61.98 2wdx s PRO 32 Cb -0.09 -2.45 0.03 0.00 0.04 0.00 0.00 34.50 32.03 2wdx s PRO 32 CO 0.45 0.05 0.04 0.54 0.04 0.00 0.00 177.00 178.11 2wdx s VAL 33 N -2.23 -0.00 -0.45 -0.36 0.11 -0.59 -4.97 120.40 111.90 2wdx s VAL 33 Ca 0.50 0.28 -0.22 0.00 -2.93 0.00 0.00 61.98 59.61 2wdx s VAL 33 Cb -0.10 -0.19 0.03 0.00 -1.53 0.00 0.00 36.38 34.58 2wdx s VAL 33 CO 0.28 0.16 0.74 -0.75 -3.33 0.00 0.00 175.10 172.20 2wdx s LYS 34 N 1.65 3.36 -0.47 1.54 2.20 -1.26 0.02 119.74 126.79 2wdx s LYS 34 Ca -0.01 -0.19 -0.16 0.00 -0.36 0.00 0.00 55.97 55.24 2wdx s LYS 34 Cb -0.13 -3.94 0.06 0.00 -1.51 0.00 0.00 37.83 32.31 2wdx s LYS 34 CO -0.03 -1.09 0.42 0.08 -0.36 0.00 0.00 175.35 174.37 2wdx s VAL 35 N 3.15 5.18 0.44 4.02 1.01 0.69 -4.94 120.40 129.95 2wdx s VAL 35 Ca 0.28 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.38 2wdx s VAL 35 Cb -0.13 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 2wdx s VAL 35 CO 0.22 -0.57 0.64 0.42 0.00 0.00 0.00 175.10 175.81 2wdx s THR 36 N 1.82 3.93 -0.51 3.92 -4.23 -1.26 -1.25 115.64 118.05 2wdx s THR 36 Ca 0.06 -0.59 0.16 0.00 -1.18 0.00 0.00 61.69 60.15 2wdx s THR 36 Cb -0.22 -3.44 0.16 0.00 1.34 0.00 0.00 72.50 70.34 2wdx s THR 36 CO 0.08 -0.29 1.50 -2.65 -0.54 0.00 0.00 174.62 172.72 2wdx n PRO 37 N -2.02 0.10 0.14 3.99 -0.02 -1.26 -0.87 135.00 135.06 2wdx n PRO 37 Ca 0.02 0.53 0.08 0.00 -2.02 0.00 0.00 63.50 62.11 2wdx n PRO 37 Cb 0.58 -1.80 0.05 0.00 -0.02 0.00 0.00 33.50 32.31 2wdx n PRO 37 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2wdx h ASP 38 N 0.00 0.00 -3.94 2.55 -0.00 -1.96 -3.47 116.42 109.60 2wdx h ASP 38 Ca 0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 57.03 56.49 2wdx h ASP 38 Cb 0.09 0.00 0.10 0.00 -0.00 0.00 0.00 39.33 39.52 2wdx h ASP 38 CO 0.00 0.21 0.73 -0.62 -0.00 0.00 0.00 179.24 179.55 2wdx s ASP 39 N -5.96 6.35 0.50 4.15 -1.08 -0.05 -4.91 116.67 115.67 2wdx s ASP 39 Ca 0.03 2.93 0.23 0.00 -0.52 0.00 0.00 52.55 55.22 2wdx s ASP 39 Cb 0.07 -2.66 1.31 0.00 -1.46 0.00 0.00 42.92 40.18 2wdx s ASP 39 CO 0.74 -0.86 1.97 1.55 0.52 0.00 0.00 175.17 179.10 2wdx h PRO 40 N 2.94 0.11 0.00 4.34 0.13 -1.92 -2.70 132.00 134.90 2wdx h PRO 40 Ca -0.50 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2wdx h PRO 40 Cb 1.24 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2wdx h PRO 40 CO 0.64 0.07 0.00 0.54 -0.23 0.00 0.00 178.00 179.02 2wdx n ARG 41 N -4.40 0.11 0.10 0.86 1.74 -1.26 -4.34 116.66 109.47 2wdx n ARG 41 Ca 0.11 0.10 -0.13 0.00 -0.77 0.00 0.00 57.85 57.16 2wdx n ARG 41 Cb 0.59 -1.63 -0.06 0.00 -1.02 0.00 0.00 32.46 30.34 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 -0.97 -0.59 -1.55 3.20 -1.72 -2.77 116.97 112.57 2wdx h TYR 42 Ca 0.00 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 2wdx h TYR 42 Cb 0.59 0.41 -0.02 0.00 1.54 0.00 0.00 36.73 39.25 2wdx h TYR 42 CO 0.00 -0.45 0.01 -0.07 -1.64 0.00 0.00 178.16 176.01 2wdx h LEU 43 N -0.57 0.99 -0.42 2.82 3.38 -1.82 0.24 115.31 119.93 2wdx h LEU 43 Ca 0.03 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.74 2wdx h LEU 43 Cb 0.61 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2wdx h LEU 43 CO -0.22 1.03 0.28 0.78 0.09 0.00 0.00 178.44 180.40 2wdx h ASN 44 N 0.93 0.48 -0.31 -0.43 4.21 -1.81 -0.94 115.58 117.72 2wdx h ASN 44 Ca 0.17 -0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.64 2wdx h ASN 44 Cb 0.52 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.59 2wdx h ASN 44 CO 0.03 0.35 0.08 -0.07 -1.29 0.00 0.00 177.43 176.53 2wdx h LEU 45 N 0.57 0.47 -2.02 1.61 4.07 -1.18 -2.08 115.31 116.74 2wdx h LEU 45 Ca 0.15 -0.23 -0.02 0.00 0.08 0.00 0.00 57.88 57.87 2wdx h LEU 45 Cb -0.06 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 41.55 2wdx h LEU 45 CO -0.03 0.57 -0.10 0.50 -1.08 0.00 0.00 178.44 178.30 2wdx h LYS 46 N 0.34 0.00 -0.16 1.13 3.64 -0.41 -3.11 116.57 117.99 2wdx h LYS 46 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2wdx h LYS 46 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2wdx h LYS 46 CO 0.00 0.10 0.00 1.28 -2.27 0.00 0.00 179.45 178.56 2wdx n LEU 47 N -3.74 2.48 0.32 5.20 4.77 -0.37 -4.61 117.00 121.04 2wdx n LEU 47 Ca -0.02 -1.36 0.21 0.00 -0.03 0.00 0.00 56.01 54.80 2wdx n LEU 47 Cb 0.20 -0.10 1.03 0.00 -2.33 0.00 0.00 43.42 42.22 2wdx n LEU 47 CO 0.30 0.53 1.12 -0.09 -1.33 0.00 0.00 177.39 177.91 2wdx h ARG 48 N 2.55 0.00 -6.75 3.23 2.43 -1.30 -3.44 114.38 111.09 2wdx h ARG 48 Ca 0.00 0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.60 2wdx h ARG 48 Cb 0.64 0.00 0.12 0.00 -0.42 0.00 0.00 29.97 30.30 2wdx h ARG 48 CO 0.00 0.00 0.45 0.41 -1.51 0.00 0.00 179.97 179.32 2wdx n GLY 49 N -0.68 0.46 0.23 2.80 0.00 -1.26 -4.56 105.19 102.17 2wdx n GLY 49 Ca -0.02 0.27 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 2.29 0.59 -2.32 4.61 0.00 -0.86 -3.35 119.26 120.22 2wdx h ALA 50 Ca -0.46 -0.52 -0.64 0.00 0.00 0.00 0.00 54.91 53.30 2wdx h ALA 50 Cb 1.29 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.87 2wdx h ALA 50 CO 0.61 0.69 0.12 1.21 0.00 0.00 0.00 179.25 181.87 2wdx s ASN 51 N -6.94 6.40 0.00 0.00 3.04 -1.26 -0.16 114.94 116.02 2wdx s ASN 51 Ca -0.09 0.06 0.18 0.00 0.04 0.00 0.00 52.86 53.05 2wdx s ASN 51 Cb 0.11 -2.32 1.06 0.00 -1.54 0.00 0.00 41.25 38.56 2wdx s ASN 51 CO 0.86 -0.60 1.61 -1.54 -3.04 0.00 0.00 177.10 174.39 2wdx n SER 52 N 6.04 0.00 0.25 -4.21 3.41 -1.20 -2.75 113.62 115.16 2wdx n SER 52 Ca -0.02 -1.24 0.15 0.00 -0.26 0.00 0.00 58.87 57.50 2wdx n SER 52 Cb 0.48 0.00 0.49 0.00 -0.26 0.00 0.00 64.21 64.92 2wdx n SER 52 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2wdx h ARG 53 N 0.00 0.00 -5.26 4.33 2.43 -1.91 -3.45 114.38 110.53 2wdx h ARG 53 Ca 0.00 0.00 -0.66 0.00 -0.81 0.00 0.00 59.98 58.51 2wdx h ARG 53 Cb 0.00 0.00 -0.28 0.00 -0.42 0.00 0.00 29.97 29.27 2wdx h ARG 53 CO 0.00 0.02 -0.78 -0.06 -1.51 0.00 0.00 179.97 177.64 2wdx s PHE 54 N -3.50 2.80 0.06 2.20 2.99 -1.11 -5.09 117.98 116.33 2wdx s PHE 54 Ca 0.03 -0.81 0.04 0.00 0.00 0.00 0.00 56.93 56.19 2wdx s PHE 54 Cb 0.08 -1.87 -0.03 0.00 0.00 0.00 0.00 43.02 41.20 2wdx s PHE 54 CO 0.60 -0.33 -0.12 -0.80 -0.00 0.00 0.00 175.22 174.57 2wdx s ASN 55 N 0.58 1.38 0.27 1.36 -0.87 -1.25 -4.92 114.94 111.49 2wdx s ASN 55 Ca -0.08 -0.58 0.02 0.00 -1.57 0.00 0.00 52.86 50.65 2wdx s ASN 55 Cb -0.16 -0.02 -0.04 0.00 -0.02 0.00 0.00 41.25 41.01 2wdx s ASN 55 CO 0.03 -0.11 0.17 -0.83 -2.57 0.00 0.00 177.10 173.79 2wdx s GLY 56 N -1.64 1.85 -0.39 0.66 0.00 -1.26 -3.43 107.32 103.11 2wdx s GLY 56 Ca -0.05 -1.81 0.08 0.00 0.00 0.00 0.00 44.72 42.95 2wdx s GLY 56 CO 0.02 -1.49 0.54 -2.21 0.00 0.00 0.00 173.10 169.96 2wdx n GLU 57 N -0.46 0.76 -2.16 2.90 4.07 -1.26 -4.97 120.64 119.53 2wdx n GLU 57 Ca 0.03 -3.26 -0.37 0.00 -0.06 0.00 0.00 57.16 53.50 2wdx n GLU 57 Cb 0.65 -1.27 0.01 0.00 -0.06 0.00 0.00 31.44 30.77 2wdx n GLU 57 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2wdx s PRO 58 N -1.31 3.50 0.49 5.31 0.04 -1.26 -4.89 135.00 136.89 2wdx s PRO 58 Ca 0.36 1.83 0.18 0.00 0.04 0.00 0.00 61.00 63.40 2wdx s PRO 58 Cb 0.18 -2.26 1.22 0.00 0.04 0.00 0.00 34.50 33.69 2wdx s PRO 58 CO -0.11 -0.78 2.05 -0.44 0.04 0.00 0.00 177.00 177.77 2wdx h ASP 59 N 1.68 0.13 -4.45 6.66 3.45 -0.44 -3.45 116.42 119.99 2wdx h ASP 59 Ca -0.50 0.00 0.14 0.00 0.43 0.00 0.00 57.03 57.10 2wdx h ASP 59 Cb 1.26 -0.03 -0.17 0.00 -0.56 0.00 0.00 39.33 39.83 2wdx h ASP 59 CO 0.59 0.08 0.58 -0.72 -1.57 0.00 0.00 179.24 178.19 2wdx s TYR 60 N -5.16 -0.30 -0.17 4.55 1.13 -1.18 -4.30 117.35 111.91 2wdx s TYR 60 Ca -0.06 0.25 -0.00 0.00 -1.41 0.00 0.00 57.07 55.85 2wdx s TYR 60 Cb 0.19 0.52 0.00 0.00 -1.10 0.00 0.00 41.96 41.57 2wdx s TYR 60 CO 0.71 -0.43 -0.14 0.42 -2.51 0.00 0.00 175.55 173.60 2wdx s ILE 61 N -2.62 2.66 -0.34 -3.49 1.01 -0.38 -2.49 121.20 115.55 2wdx s ILE 61 Ca 0.05 -0.76 -0.07 0.00 0.00 0.00 0.00 60.65 59.87 2wdx s ILE 61 Cb -0.01 -2.14 0.03 0.00 0.01 0.00 0.00 42.46 40.35 2wdx s ILE 61 CO -0.06 0.50 0.12 -2.28 0.00 0.00 0.00 174.94 173.22 2wdx s HIS 62 N 1.02 3.23 -0.05 3.97 2.46 -0.18 -0.22 115.29 125.51 2wdx s HIS 62 Ca -0.01 -1.21 -0.26 0.00 0.47 0.00 0.00 55.06 54.05 2wdx s HIS 62 Cb -0.15 -2.31 -0.03 0.00 -0.13 0.00 0.00 32.58 29.97 2wdx s HIS 62 CO -0.03 -0.67 0.81 -0.51 -2.47 0.00 0.00 174.74 171.87 2wdx s LEU 63 N 1.46 4.32 -0.02 8.88 1.43 0.10 -1.59 118.68 133.27 2wdx s LEU 63 Ca 0.00 1.36 0.07 0.00 -1.03 0.00 0.00 54.13 54.53 2wdx s LEU 63 Cb -0.19 -3.27 -0.02 0.00 0.03 0.00 0.00 46.19 42.75 2wdx s LEU 63 CO 0.04 -0.19 -0.23 0.68 0.23 0.00 0.00 176.35 176.87 2wdx s VAL 64 N 1.00 1.81 0.00 -1.59 -7.23 -1.17 -1.55 120.40 111.68 2wdx s VAL 64 Ca 0.43 -0.98 0.00 0.00 -1.81 0.00 0.00 61.98 59.62 2wdx s VAL 64 Cb -0.19 -1.51 0.00 0.00 0.56 0.00 0.00 36.38 35.24 2wdx s VAL 64 CO 0.21 0.51 0.61 0.61 -0.31 0.00 0.00 175.10 176.74 2wdx n GLY 65 N 2.56 0.24 3.43 2.32 0.00 -1.25 -4.07 105.19 108.43 2wdx n GLY 65 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.35 -0.26 0.17 1.61 1.04 -1.26 -4.59 113.70 110.05 2wdx s SER 66 Ca 0.00 -0.40 -0.15 0.00 0.48 0.00 0.00 55.95 55.87 2wdx s SER 66 Cb 0.00 0.54 0.12 0.00 0.10 0.00 0.00 66.02 66.78 2wdx s SER 66 CO 0.00 -0.97 1.70 0.74 0.98 0.00 0.00 173.24 175.69 2wdx h THR 67 N 2.25 0.72 -0.80 2.02 2.02 -1.96 -1.31 112.91 115.84 2wdx h THR 67 Ca -0.31 -0.05 0.04 0.00 0.77 0.00 0.00 66.41 66.87 2wdx h THR 67 Cb 1.26 0.57 -0.05 0.00 -1.74 0.00 0.00 68.15 68.19 2wdx h THR 67 CO 0.41 0.02 0.50 -0.61 0.37 0.00 0.00 175.52 176.22 2wdx h GLN 68 N 0.13 0.92 -0.61 6.66 5.75 -1.99 -1.59 115.11 124.39 2wdx h GLN 68 Ca 0.20 -0.06 0.11 0.00 -0.15 0.00 0.00 58.65 58.76 2wdx h GLN 68 Cb 0.28 -0.21 -0.09 0.00 1.07 0.00 0.00 27.48 28.53 2wdx h GLN 68 CO -0.31 0.61 0.15 1.96 -2.65 0.00 0.00 178.83 178.58 2wdx h GLN 69 N 0.95 0.27 -0.39 1.69 4.20 -1.82 -0.84 115.11 119.18 2wdx h GLN 69 Ca 0.33 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 59.09 2wdx h GLN 69 Cb 0.07 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 27.73 2wdx h GLN 69 CO -0.14 0.18 0.01 0.28 -0.67 0.00 0.00 178.83 178.49 2wdx h VAL 70 N 0.28 0.72 -0.73 -0.54 2.07 -0.40 -1.29 116.25 116.36 2wdx h VAL 70 Ca 0.32 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.76 2wdx h VAL 70 Cb 0.47 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2wdx h VAL 70 CO -0.39 0.02 0.31 0.00 0.02 0.00 0.00 177.57 177.53 2wdx h ALA 71 N 1.33 0.94 -0.63 1.67 0.00 -0.62 0.13 119.26 122.08 2wdx h ALA 71 Ca 0.19 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2wdx h ALA 71 Cb 0.26 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2wdx h ALA 71 CO -0.31 0.54 0.13 -0.44 0.00 0.00 0.00 179.25 179.18 2wdx h ASP 72 N 1.04 0.96 -0.07 0.00 3.32 -0.88 -0.67 116.42 120.11 2wdx h ASP 72 Ca 0.25 -0.20 -0.12 0.00 0.02 0.00 0.00 57.03 56.97 2wdx h ASP 72 Cb 0.18 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2wdx h ASP 72 CO -0.02 0.94 -0.35 0.00 -1.72 0.00 0.00 179.24 178.08 2wdx h ALA 73 N 1.18 0.91 0.15 3.45 0.00 -0.66 -2.64 119.26 121.64 2wdx h ALA 73 Ca 0.20 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2wdx h ALA 73 Cb 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2wdx h ALA 73 CO 0.00 0.62 -0.07 0.28 0.00 0.00 0.00 179.25 180.09 2wdx h VAL 74 N 0.47 0.95 -0.88 0.00 2.07 -0.55 -3.11 116.25 115.22 2wdx h VAL 74 Ca 0.05 -1.08 0.23 0.00 0.82 0.00 0.00 66.70 66.72 2wdx h VAL 74 Cb 0.83 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 32.11 2wdx h VAL 74 CO 0.07 0.23 0.61 -0.33 0.02 0.00 0.00 177.57 178.17 2wdx h GLU 75 N -0.78 0.16 -0.04 1.57 5.08 -1.14 -0.75 114.58 118.69 2wdx h GLU 75 Ca -0.02 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.15 2wdx h GLU 75 Cb 0.53 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2wdx h GLU 75 CO 0.03 0.11 -0.75 1.49 -1.00 0.00 0.00 179.01 178.89 2wdx h GLU 76 N 0.17 0.28 0.00 2.33 4.57 -1.49 -1.48 114.58 118.96 2wdx h GLU 76 Ca 0.44 -0.24 -0.08 0.00 -1.18 0.00 0.00 59.36 58.30 2wdx h GLU 76 Cb 1.45 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 30.08 2wdx h GLU 76 CO -0.08 0.90 -0.38 1.79 -1.18 0.00 0.00 179.01 180.07 2wdx h THR 77 N 0.18 0.80 0.05 0.32 1.35 -1.08 -1.52 112.91 113.01 2wdx h THR 77 Ca -0.03 -1.62 -0.00 0.00 -0.55 0.00 0.00 66.41 64.21 2wdx h THR 77 Cb 1.32 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.77 2wdx h THR 77 CO 0.12 0.37 -0.02 0.58 -0.25 0.00 0.00 175.52 176.31 2wdx h VAL 78 N 0.00 1.19 -0.97 6.82 2.07 -1.17 -0.29 116.25 123.90 2wdx h VAL 78 Ca -0.00 -0.83 0.06 0.00 0.82 0.00 0.00 66.70 66.75 2wdx h VAL 78 Cb 1.00 1.74 -0.07 0.00 -1.52 0.00 0.00 31.29 32.44 2wdx h VAL 78 CO 0.05 0.21 0.63 -0.09 0.02 0.00 0.00 177.57 178.38 2wdx h ARG 79 N -0.44 1.11 0.00 1.57 2.43 -1.24 -2.95 114.38 114.86 2wdx h ARG 79 Ca -0.01 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2wdx h ARG 79 Cb 0.39 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2wdx h ARG 79 CO 0.01 0.73 -0.93 0.25 -1.51 0.00 0.00 179.97 178.53 2wdx n THR 80 N -4.52 0.36 -0.94 0.20 -2.24 -0.58 -4.96 114.28 101.60 2wdx n THR 80 Ca 0.15 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2wdx n THR 80 Cb 0.17 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 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 1.30 0.49 3.71 3.38 0.00 -0.13 -5.00 105.19 108.94 2wdx n GLY 81 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.48 4.30 0.19 1.61 1.02 -1.14 -4.99 119.74 120.25 2wdx s LYS 82 Ca 0.00 2.06 -0.31 0.00 0.02 0.00 0.00 55.97 57.75 2wdx s LYS 82 Cb 0.00 -3.37 -0.09 0.00 -0.52 0.00 0.00 37.83 33.85 2wdx s LYS 82 CO 0.00 -0.50 1.42 0.50 -0.92 0.00 0.00 175.35 175.85 2wdx s ARG 83 N 1.60 4.30 0.06 1.68 3.52 -1.26 -4.73 118.95 124.12 2wdx s ARG 83 Ca 0.65 2.20 0.07 0.00 -0.13 0.00 0.00 55.73 58.52 2wdx s ARG 83 Cb -0.35 -3.17 -0.03 0.00 -1.56 0.00 0.00 34.95 29.83 2wdx s ARG 83 CO 0.29 -0.42 -0.17 0.54 -0.81 0.00 0.00 175.30 174.73 2wdx s VAL 84 N 0.50 2.85 0.02 7.11 0.11 -1.26 0.13 120.40 129.86 2wdx s VAL 84 Ca 0.62 -1.24 0.01 0.00 -2.93 0.00 0.00 61.98 58.44 2wdx s VAL 84 Cb -0.40 -2.23 -0.01 0.00 -1.53 0.00 0.00 36.38 32.21 2wdx s VAL 84 CO 0.37 0.29 -0.04 0.00 -3.33 0.00 0.00 175.10 172.39 2wdx s ALA 85 N -0.98 0.22 -0.06 1.54 0.00 -0.57 -4.76 121.76 117.16 2wdx s ALA 85 Ca 0.16 -0.46 -0.11 0.00 0.00 0.00 0.00 51.96 51.54 2wdx s ALA 85 Cb -0.11 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 2wdx s ALA 85 CO 0.07 -0.07 0.28 0.08 0.00 0.00 0.00 175.76 176.11 2wdx s VAL 86 N -0.99 5.26 -0.15 0.00 1.01 -1.26 -0.57 120.40 123.69 2wdx s VAL 86 Ca -0.10 0.54 0.02 0.00 0.00 0.00 0.00 61.98 62.44 2wdx s VAL 86 Cb -0.07 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.76 2wdx s VAL 86 CO -0.00 0.60 -0.21 -0.60 0.00 0.00 0.00 175.10 174.89 2wdx s ARG 87 N -1.04 2.93 0.00 2.72 3.52 0.66 -4.90 118.95 122.84 2wdx s ARG 87 Ca 0.19 -0.82 0.00 0.00 -0.13 0.00 0.00 55.73 54.98 2wdx s ARG 87 Cb -0.14 -2.43 0.00 0.00 -1.56 0.00 0.00 34.95 30.81 2wdx s ARG 87 CO 0.09 -0.09 0.00 0.43 -0.81 0.00 0.00 175.30 174.92 2wdx n SER 88 N 4.28 0.00 0.09 -2.12 7.64 -1.26 -0.52 113.62 121.73 2wdx n SER 88 Ca -0.20 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.80 2wdx n SER 88 Cb 0.51 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.81 2wdx n SER 88 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2wdx h GLY 89 N 0.00 0.00 -0.01 0.23 0.00 -1.84 -3.43 103.07 98.02 2wdx h GLY 89 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2wdx h GLY 89 CO 0.00 0.00 -0.00 0.61 0.00 0.00 0.00 176.54 177.15 2wdx n GLY 90 N 1.26 0.46 0.62 4.60 0.00 -1.26 -4.55 105.19 106.32 2wdx n GLY 90 Ca 0.02 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.91 0.33 -1.59 1.61 8.25 -1.26 -0.17 115.22 119.48 2wdx n HIS 91 Ca -0.00 -0.17 -0.58 0.00 -0.26 0.00 0.00 57.72 56.71 2wdx n HIS 91 Cb 0.05 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.09 2wdx n HIS 91 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wdx h PHE 93 N 4.32 0.00 -4.70 0.00 -1.00 -1.87 -3.42 116.94 110.27 2wdx h PHE 93 Ca -0.48 0.00 -0.47 0.00 2.81 0.00 0.00 57.97 59.83 2wdx h PHE 93 Cb 1.38 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 40.85 2wdx h PHE 93 CO 0.62 0.00 -0.35 0.39 -1.61 0.00 0.00 178.31 177.36 2wdx n GLU 94 N -2.67 1.03 -0.57 1.51 -0.58 -1.26 -4.87 120.64 113.23 2wdx n GLU 94 Ca 0.01 -2.65 -0.11 0.00 -0.42 0.00 0.00 57.16 53.99 2wdx n GLU 94 Cb 0.25 0.84 0.07 0.00 -0.57 0.00 0.00 31.44 32.04 2wdx n GLU 94 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2wdx n ASP 95 N -1.31 3.67 0.26 1.62 3.85 -1.26 -4.53 116.55 118.84 2wdx n ASP 95 Ca -0.13 -2.73 0.15 0.00 -0.71 0.00 0.00 54.79 51.37 2wdx n ASP 95 Cb 0.46 -0.69 0.56 0.00 -1.35 0.00 0.00 41.12 40.10 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 0.54 0.00 0.00 2.11 0.04 -1.95 -3.32 116.94 114.36 2wdx h PHE 96 Ca 0.27 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.94 2wdx h PHE 96 Cb 1.71 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.84 2wdx h PHE 96 CO 0.70 0.04 -1.36 0.28 -0.60 0.00 0.00 178.31 177.36 2wdx n VAL 97 N -3.14 0.36 -3.34 -0.55 0.31 -1.26 -4.86 118.33 105.85 2wdx n VAL 97 Ca 0.01 -0.09 -0.47 0.00 -0.01 0.00 0.00 64.34 63.78 2wdx n VAL 97 Cb 0.37 -1.55 -0.02 0.00 -0.91 0.00 0.00 33.84 31.73 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 -5.54 6.86 0.09 4.52 1.01 -1.25 -4.77 116.67 117.60 2wdx s ASP 98 Ca -0.09 -2.87 -0.06 0.00 0.71 0.00 0.00 52.55 50.24 2wdx s ASP 98 Cb 0.03 -2.21 -0.02 0.00 1.01 0.00 0.00 42.92 41.74 2wdx s ASP 98 CO 0.12 -0.51 0.13 0.54 0.21 0.00 0.00 175.17 175.65 2wdx s ASN 99 N 1.98 0.23 0.46 0.27 4.22 -1.22 -3.75 114.94 117.13 2wdx s ASN 99 Ca 0.20 -0.84 0.29 0.00 -2.14 0.00 0.00 52.86 50.37 2wdx s ASN 99 Cb -0.10 0.31 1.55 0.00 1.28 0.00 0.00 41.25 44.29 2wdx s ASN 99 CO -0.09 -0.72 1.86 -0.65 -2.04 0.00 0.00 177.10 175.46 2wdx h PRO 100 N 2.84 0.00 0.00 3.55 0.11 -1.94 -2.67 132.00 133.89 2wdx h PRO 100 Ca -0.34 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.72 2wdx h PRO 100 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2wdx h PRO 100 CO 0.58 0.00 -0.72 -0.44 -0.21 0.00 0.00 178.00 177.21 2wdx h ASP 101 N 0.00 0.00 -2.93 -2.05 3.45 -1.96 -3.44 116.42 109.48 2wdx h ASP 101 Ca 0.00 0.00 -0.57 0.00 0.43 0.00 0.00 57.03 56.89 2wdx h ASP 101 Cb 0.14 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 38.87 2wdx h ASP 101 CO 0.00 0.22 0.89 -0.69 -1.57 0.00 0.00 179.24 178.09 2wdx s VAL 102 N -3.15 4.32 -0.04 -1.35 1.01 -1.01 -4.55 120.40 115.63 2wdx s VAL 102 Ca 0.02 1.60 0.19 0.00 0.00 0.00 0.00 61.98 63.79 2wdx s VAL 102 Cb 0.08 -4.03 -0.29 0.00 0.00 0.00 0.00 36.38 32.13 2wdx s VAL 102 CO 0.75 -0.14 0.39 0.29 0.00 0.00 0.00 175.10 176.39 2wdx n LYS 103 N 6.54 0.63 -4.04 2.72 4.76 0.12 -4.09 118.16 124.80 2wdx n LYS 103 Ca 0.14 -0.16 -0.20 0.00 -2.87 0.00 0.00 58.31 55.22 2wdx n LYS 103 Cb 0.45 -1.46 -0.17 0.00 -1.84 0.00 0.00 35.03 32.02 2wdx n LYS 103 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2wdx s VAL 104 N -3.25 0.44 -0.20 -0.18 1.01 -0.59 0.27 120.40 117.91 2wdx s VAL 104 Ca -0.07 -0.04 -0.10 0.00 0.00 0.00 0.00 61.98 61.78 2wdx s VAL 104 Cb 0.12 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 2wdx s VAL 104 CO 0.79 0.22 0.12 -0.63 0.00 0.00 0.00 175.10 175.60 2wdx s ILE 105 N 1.15 5.32 -0.36 2.22 1.01 -1.04 -1.51 121.20 127.99 2wdx s ILE 105 Ca -0.08 0.16 -0.18 0.00 0.00 0.00 0.00 60.65 60.55 2wdx s ILE 105 Cb -0.14 -3.42 -0.00 0.00 0.01 0.00 0.00 42.46 38.91 2wdx s ILE 105 CO -0.01 0.45 0.49 -0.63 0.00 0.00 0.00 174.94 175.23 2wdx s ILE 106 N 0.34 5.04 -0.25 2.92 1.01 0.27 -1.01 121.20 129.51 2wdx s ILE 106 Ca 0.07 0.22 -0.09 0.00 0.00 0.00 0.00 60.65 60.85 2wdx s ILE 106 Cb -0.11 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 2wdx s ILE 106 CO -0.02 -0.23 0.11 -0.62 0.00 0.00 0.00 174.94 174.18 2wdx s ASP 107 N 1.77 5.47 -0.19 3.58 -1.08 -0.62 -0.24 116.67 125.36 2wdx s ASP 107 Ca 0.17 -0.12 0.08 0.00 -0.52 0.00 0.00 52.55 52.16 2wdx s ASP 107 Cb -0.16 -1.99 0.52 0.00 -1.46 0.00 0.00 42.92 39.83 2wdx s ASP 107 CO 0.13 -0.02 1.39 0.23 0.52 0.00 0.00 175.17 177.42 2wdx n MET 108 N 4.86 3.19 -0.39 4.34 2.81 0.32 -3.02 117.12 129.22 2wdx n MET 108 Ca -0.15 -2.07 0.32 0.00 -1.81 0.00 0.00 57.70 53.99 2wdx n MET 108 Cb 0.52 -1.96 0.62 0.00 -0.71 0.00 0.00 33.22 31.68 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 2.19 0.28 -0.37 7.83 0.02 -1.83 -1.77 113.55 119.90 2wdx h SER 109 Ca 0.10 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2wdx h SER 109 Cb 1.66 0.06 0.00 0.00 0.14 0.00 0.00 62.40 64.26 2wdx h SER 109 CO 0.42 -0.04 0.00 0.18 -1.14 0.00 0.00 176.83 176.25 2wdx n LEU 110 N -4.56 2.99 -4.24 5.07 4.77 -1.26 -4.69 117.00 115.08 2wdx n LEU 110 Ca 0.31 -1.31 -0.43 0.00 -0.03 0.00 0.00 56.01 54.55 2wdx n LEU 110 Cb 1.22 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 42.02 2wdx n LEU 110 CO 0.26 0.66 0.27 -0.76 -1.33 0.00 0.00 177.39 176.49 2wdx s LEU 111 N -1.43 6.17 -0.05 2.23 1.43 -0.66 -4.75 118.68 121.61 2wdx s LEU 111 Ca 0.37 -2.70 0.16 0.00 -1.03 0.00 0.00 54.13 50.93 2wdx s LEU 111 Cb 0.21 -2.08 0.31 0.00 0.03 0.00 0.00 46.19 44.66 2wdx s LEU 111 CO 0.30 -0.51 1.13 0.35 0.23 0.00 0.00 176.35 177.85 2wdx n THR 112 N 3.86 0.52 -2.05 5.49 -2.24 -1.26 -0.32 114.28 118.28 2wdx n THR 112 Ca 0.10 -1.22 -0.39 0.00 -2.27 0.00 0.00 64.05 60.27 2wdx n THR 112 Cb 0.43 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 2wdx n THR 112 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2wdx s GLU 113 N -0.77 3.77 -0.21 -0.78 2.56 -1.26 -4.83 118.70 117.18 2wdx s GLU 113 Ca 0.26 2.09 -0.04 0.00 0.00 0.00 0.00 54.97 57.28 2wdx s GLU 113 Cb 0.28 -2.59 0.10 0.00 2.00 0.00 0.00 34.13 33.92 2wdx s GLU 113 CO -0.09 -0.63 0.25 0.42 -0.56 0.00 0.00 175.26 174.64 2wdx s ILE 114 N -1.33 -0.37 -0.08 -3.70 1.01 -1.25 -1.55 121.20 113.93 2wdx s ILE 114 Ca 0.61 -0.10 -0.28 0.00 0.00 0.00 0.00 60.65 60.88 2wdx s ILE 114 Cb -0.36 -0.69 0.06 0.00 0.01 0.00 0.00 42.46 41.48 2wdx s ILE 114 CO 0.46 -0.18 0.64 0.00 0.00 0.00 0.00 174.94 175.85 2wdx s ALA 115 N 2.36 -1.64 0.09 9.38 0.00 -0.78 -5.00 121.76 126.18 2wdx s ALA 115 Ca 0.08 1.29 -0.31 0.00 0.00 0.00 0.00 51.96 53.02 2wdx s ALA 115 Cb -0.16 -0.16 -0.09 0.00 0.00 0.00 0.00 23.12 22.72 2wdx s ALA 115 CO -0.13 -0.35 1.61 -0.47 0.00 0.00 0.00 175.76 176.43 2wdx s TYR 116 N -0.97 2.61 -0.33 0.00 5.04 -1.26 -0.52 117.35 121.91 2wdx s TYR 116 Ca -0.10 0.43 -0.06 0.00 -2.44 0.00 0.00 57.07 54.90 2wdx s TYR 116 Cb -0.01 -3.93 0.04 0.00 0.35 0.00 0.00 41.96 38.40 2wdx s TYR 116 CO 0.08 -3.66 0.09 0.34 -1.34 0.00 0.00 175.55 171.06 2wdx s ASP 117 N 2.06 5.25 0.31 4.32 3.68 0.21 -4.89 116.67 127.61 2wdx s ASP 117 Ca 0.72 -1.15 0.15 0.00 2.13 0.00 0.00 52.55 54.41 2wdx s ASP 117 Cb -0.40 -1.85 0.40 0.00 -1.45 0.00 0.00 42.92 39.63 2wdx s ASP 117 CO 0.32 -0.31 1.61 -0.65 0.13 0.00 0.00 175.17 176.26 2wdx h PRO 118 N 8.19 0.00 0.00 4.34 0.11 -1.95 0.33 132.00 143.02 2wdx h PRO 118 Ca -0.23 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.76 2wdx h PRO 118 Cb 1.08 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2wdx h PRO 118 CO 0.59 0.52 -0.55 0.66 -0.21 0.00 0.00 178.00 179.01 2wdx h SER 119 N 0.00 0.00 0.45 -2.05 4.64 -1.95 -2.74 113.55 111.90 2wdx h SER 119 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2wdx h SER 119 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2wdx h SER 119 CO 0.07 0.55 -0.94 0.23 -0.87 0.00 0.00 176.83 175.87 2wdx n MET 120 N -3.54 0.25 -3.99 4.77 2.81 -1.17 -5.00 117.12 111.25 2wdx n MET 120 Ca -0.00 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.60 2wdx n MET 120 Cb 0.64 -1.59 -0.01 0.00 -0.71 0.00 0.00 33.22 31.55 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 -1.91 -2.25 -3.71 7.83 4.05 0.11 -4.97 115.26 114.41 2wdx n ASN 121 Ca 0.02 -0.93 -0.10 0.00 0.45 0.00 0.00 54.58 54.02 2wdx n ASN 121 Cb 0.42 -3.29 -0.05 0.00 1.23 0.00 0.00 39.78 38.09 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 -3.59 -0.69 -0.18 5.20 0.00 -0.60 -4.98 121.76 116.91 2wdx s ALA 122 Ca 0.35 -0.23 -0.27 0.00 0.00 0.00 0.00 51.96 51.81 2wdx s ALA 122 Cb -0.19 0.62 -0.01 0.00 0.00 0.00 0.00 23.12 23.54 2wdx s ALA 122 CO 0.88 -0.59 0.92 -0.06 0.00 0.00 0.00 175.76 176.91 2wdx s PHE 123 N -3.79 3.40 -0.28 0.00 0.40 -0.64 -0.62 117.98 116.46 2wdx s PHE 123 Ca 0.03 1.37 -0.29 0.00 -0.60 0.00 0.00 56.93 57.44 2wdx s PHE 123 Cb 0.03 -3.12 0.01 0.00 0.51 0.00 0.00 43.02 40.45 2wdx s PHE 123 CO -0.11 -0.32 1.06 -1.17 0.70 0.00 0.00 175.22 175.37 2wdx s LEU 124 N 2.48 4.01 -0.19 -0.37 0.20 0.32 0.56 118.68 125.70 2wdx s LEU 124 Ca 0.41 1.21 0.01 0.00 0.69 0.00 0.00 54.13 56.45 2wdx s LEU 124 Cb -0.16 -3.54 0.04 0.00 -0.43 0.00 0.00 46.19 42.09 2wdx s LEU 124 CO 0.11 -0.78 -0.11 -0.63 -0.29 0.00 0.00 176.35 174.66 2wdx s ILE 125 N 3.44 1.60 0.46 6.68 -1.09 0.10 -1.86 121.20 130.54 2wdx s ILE 125 Ca 0.45 -0.92 -0.16 0.00 -2.23 0.00 0.00 60.65 57.79 2wdx s ILE 125 Cb -0.14 -1.65 -0.08 0.00 -1.58 0.00 0.00 42.46 39.01 2wdx s ILE 125 CO 0.11 0.22 0.91 -1.61 -1.23 0.00 0.00 174.94 173.34 2wdx s GLU 126 N 1.42 3.96 0.14 2.79 2.02 -0.60 -1.54 118.70 126.90 2wdx s GLU 126 Ca -0.00 0.85 0.16 0.00 0.02 0.00 0.00 54.97 56.00 2wdx s GLU 126 Cb -0.16 -2.22 0.73 0.00 0.10 0.00 0.00 34.13 32.58 2wdx s GLU 126 CO -0.09 -0.15 1.50 -0.35 0.02 0.00 0.00 175.26 176.19 2wdx n PRO 127 N -1.28 0.09 0.01 0.39 -0.04 -1.25 -3.00 135.00 129.93 2wdx n PRO 127 Ca 0.05 0.42 0.13 0.00 -0.04 0.00 0.00 63.50 64.06 2wdx n PRO 127 Cb 0.54 -1.71 0.35 0.00 -0.04 0.00 0.00 33.50 32.64 2wdx n PRO 127 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wdx n GLY 128 N -0.52 -1.36 3.77 0.55 0.00 0.57 -1.54 105.19 106.66 2wdx n GLY 128 Ca 0.01 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.23 6.39 0.57 1.61 0.01 -1.16 -4.78 114.94 114.35 2wdx s ASN 129 Ca 0.11 2.54 -0.07 0.00 -0.71 0.00 0.00 52.86 54.74 2wdx s ASN 129 Cb 0.17 -2.63 -0.01 0.00 0.41 0.00 0.00 41.25 39.19 2wdx s ASN 129 CO 0.65 -0.78 0.90 0.42 -1.51 0.00 0.00 177.10 176.78 2wdx s THR 130 N -1.31 4.25 0.32 1.60 -4.23 -1.26 -1.43 115.64 113.58 2wdx s THR 130 Ca 0.57 0.25 0.04 0.00 -1.18 0.00 0.00 61.69 61.37 2wdx s THR 130 Cb -0.35 -3.67 0.29 0.00 1.34 0.00 0.00 72.50 70.11 2wdx s THR 130 CO 0.45 -0.72 1.91 -0.07 -0.54 0.00 0.00 174.62 175.64 2wdx h LEU 131 N -0.10 0.80 -0.53 4.79 3.38 -0.85 -2.18 115.31 120.62 2wdx h LEU 131 Ca -0.46 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 2wdx h LEU 131 Cb 1.23 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.80 2wdx h LEU 131 CO 0.61 0.49 0.29 0.28 0.09 0.00 0.00 178.44 180.20 2wdx h SER 132 N 0.89 0.67 -0.75 -0.43 0.02 -1.77 0.19 113.55 112.37 2wdx h SER 132 Ca 0.39 -0.10 0.02 0.00 -0.84 0.00 0.00 61.79 61.26 2wdx h SER 132 Cb 0.35 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 2wdx h SER 132 CO -0.16 0.58 0.49 -0.33 -1.14 0.00 0.00 176.83 176.27 2wdx h GLU 133 N 0.72 0.95 0.04 3.45 5.08 -1.77 -0.58 114.58 122.47 2wdx h GLU 133 Ca 0.19 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2wdx h GLU 133 Cb 0.06 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.10 2wdx h GLU 133 CO -0.03 0.63 -0.02 0.28 -1.00 0.00 0.00 179.01 178.87 2wdx h VAL 134 N 0.98 1.20 -0.50 3.13 2.07 -1.01 -1.94 116.25 120.19 2wdx h VAL 134 Ca 0.29 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 67.07 2wdx h VAL 134 Cb -0.07 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 2wdx h VAL 134 CO -0.08 0.20 0.25 1.88 0.02 0.00 0.00 177.57 179.84 2wdx h TYR 135 N -0.40 0.46 -0.20 1.57 0.05 -0.53 -1.39 116.97 116.54 2wdx h TYR 135 Ca -0.01 0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.83 2wdx h TYR 135 Cb 0.36 -0.14 -0.04 0.00 1.01 0.00 0.00 36.73 37.93 2wdx h TYR 135 CO 0.04 0.23 -0.03 0.93 -1.05 0.00 0.00 178.16 178.28 2wdx h GLU 136 N 0.49 0.02 -0.01 4.88 3.07 -1.08 -2.25 114.58 119.71 2wdx h GLU 136 Ca 0.22 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.07 2wdx h GLU 136 Cb 0.12 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.03 2wdx h GLU 136 CO -0.15 0.01 -0.00 -0.22 -1.40 0.00 0.00 179.01 177.25 2wdx h LYS 137 N 0.02 0.01 -0.27 2.33 3.11 -1.23 -2.03 116.57 118.51 2wdx h LYS 137 Ca 0.09 -0.01 0.06 0.00 -2.81 0.00 0.00 60.65 57.99 2wdx h LYS 137 Cb 0.13 -0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 31.30 2wdx h LYS 137 CO -0.19 0.43 -0.15 -0.07 -2.81 0.00 0.00 179.45 176.67 2wdx h LEU 138 N -0.41 -0.49 0.72 5.20 4.07 -1.28 -0.52 115.31 122.60 2wdx h LEU 138 Ca 0.00 0.11 -0.03 0.00 0.08 0.00 0.00 57.88 58.04 2wdx h LEU 138 Cb 0.43 0.26 -0.00 0.00 1.08 0.00 0.00 40.66 42.43 2wdx h LEU 138 CO 0.00 -0.18 -0.45 0.22 -1.08 0.00 0.00 178.44 176.94 2wdx h TYR 139 N -0.12 -1.20 -0.03 1.13 3.20 -1.12 -1.43 116.97 117.39 2wdx h TYR 139 Ca 0.14 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.01 2wdx h TYR 139 Cb 0.34 0.43 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 2wdx h TYR 139 CO -0.33 -0.67 -0.01 -0.07 -1.64 0.00 0.00 178.16 175.44 2wdx h LEU 140 N -1.10 -0.03 -0.33 2.82 3.38 -1.19 0.58 115.31 119.44 2wdx h LEU 140 Ca -0.09 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.72 2wdx h LEU 140 Cb 0.89 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 2wdx h LEU 140 CO 0.09 -0.01 -0.46 1.23 0.09 0.00 0.00 178.44 179.38 2wdx h GLY 141 N 0.00 0.98 0.00 0.83 0.00 -1.13 -3.39 103.07 100.36 2wdx h GLY 141 Ca 0.02 -1.07 0.00 0.00 0.00 0.00 0.00 47.33 46.27 2wdx h GLY 141 CO -0.03 0.97 0.00 0.79 0.00 0.00 0.00 176.54 178.26 2wdx n TRP 142 N -4.05 0.00 -3.57 5.60 8.01 -0.78 -5.01 117.44 117.64 2wdx n TRP 142 Ca -0.03 0.00 -0.20 0.00 -1.31 0.00 0.00 57.50 55.96 2wdx n TRP 142 Cb 0.58 0.00 0.06 0.00 -2.01 0.00 0.00 31.31 29.95 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 -0.01 -2.10 -4.45 -0.99 5.15 0.20 -4.53 115.26 108.53 2wdx n ASN 143 Ca 0.00 -0.70 -0.30 0.00 -0.60 0.00 0.00 54.58 52.98 2wdx n ASN 143 Cb 0.21 -4.65 -0.08 0.00 -0.53 0.00 0.00 39.78 34.73 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 -3.48 0.88 0.30 3.44 -7.23 -0.99 -4.43 120.40 108.90 2wdx s VAL 144 Ca 0.07 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.08 2wdx s VAL 144 Cb -0.03 -2.24 0.02 0.00 0.56 0.00 0.00 36.38 34.69 2wdx s VAL 144 CO 0.77 0.00 0.64 0.28 -0.31 0.00 0.00 175.10 176.47 2wdx s THR 145 N -3.03 0.00 -0.04 5.32 -1.32 0.07 -2.56 115.64 114.09 2wdx s THR 145 Ca 0.14 -1.18 0.06 0.00 -1.21 0.00 0.00 61.69 59.50 2wdx s THR 145 Cb 0.02 -2.31 -0.02 0.00 -1.51 0.00 0.00 72.50 68.68 2wdx s THR 145 CO 0.08 0.00 -0.22 0.27 -2.21 0.00 0.00 174.62 172.55 2wdx s ILE 146 N -3.52 2.40 -1.41 5.08 -4.36 -1.26 -3.59 121.20 114.54 2wdx s ILE 146 Ca 0.17 -0.97 -0.15 0.00 -0.26 0.00 0.00 60.65 59.44 2wdx s ILE 146 Cb -0.04 -1.88 0.05 0.00 1.25 0.00 0.00 42.46 41.85 2wdx s ILE 146 CO 0.10 0.58 2.07 -0.81 0.24 0.00 0.00 174.94 177.12 2wdx n PRO 147 N 2.49 2.97 -0.38 0.37 -0.04 -1.26 -4.87 135.00 134.28 2wdx n PRO 147 Ca -0.17 -2.83 0.00 0.00 -0.04 0.00 0.00 63.50 60.46 2wdx n PRO 147 Cb 0.52 -3.34 0.00 0.00 -0.04 0.00 0.00 33.50 30.64 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 4.44 1.79 3.88 0.55 0.00 -1.26 -3.69 105.19 110.90 2wdx n GLY 148 Ca 0.51 -2.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.42 1.59 -0.05 -0.02 0.00 -1.07 -2.65 107.32 103.70 2wdx s GLY 149 Ca 0.00 -0.65 -0.15 0.00 0.00 0.00 0.00 44.72 43.92 2wdx s GLY 149 CO 0.00 -0.14 0.62 -0.39 0.00 0.00 0.00 173.10 173.19 2wdx h VAL 150 N -1.14 0.25 0.00 1.40 -1.51 -1.98 -3.46 116.25 109.82 2wdx h VAL 150 Ca -0.47 -0.81 -0.28 0.00 -1.23 0.00 0.00 66.70 63.91 2wdx h VAL 150 Cb 1.33 0.42 -0.05 0.00 -2.13 0.00 0.00 31.29 30.86 2wdx h VAL 150 CO 0.65 0.07 1.00 0.00 -1.23 0.00 0.00 177.57 178.06 2wdx h GLY 152 N 6.81 0.43 1.18 0.00 0.00 -1.88 -2.72 103.07 106.89 2wdx h GLY 152 Ca -0.03 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2wdx h GLY 152 CO 0.79 -0.29 0.00 0.61 0.00 0.00 0.00 176.54 177.65 2wdx n GLY 153 N -1.52 -0.89 3.73 4.60 0.00 -1.26 -2.46 105.19 107.39 2wdx n GLY 153 Ca 0.11 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.18 2.69 0.29 1.61 1.01 -1.03 -4.78 120.40 118.02 2wdx s VAL 154 Ca 0.33 0.54 -0.25 0.00 0.00 0.00 0.00 61.98 62.60 2wdx s VAL 154 Cb 0.17 -3.35 -0.09 0.00 0.00 0.00 0.00 36.38 33.11 2wdx s VAL 154 CO 0.32 0.07 0.90 -0.83 0.00 0.00 0.00 175.10 175.56 2wdx s GLY 155 N 0.71 2.80 0.21 4.51 0.00 -1.26 -0.68 107.32 113.61 2wdx s GLY 155 Ca 0.64 0.46 -0.08 0.00 0.00 0.00 0.00 44.72 45.74 2wdx s GLY 155 CO 0.38 0.91 1.79 -2.08 0.00 0.00 0.00 173.10 174.09 2wdx h VAL 156 N 2.70 1.26 -0.11 1.40 2.07 -1.28 -2.82 116.25 119.47 2wdx h VAL 156 Ca -0.47 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.29 2wdx h VAL 156 Cb 1.19 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2wdx h VAL 156 CO 0.65 0.32 -0.06 0.61 0.02 0.00 0.00 177.57 179.11 2wdx n GLY 157 N -0.92 -2.64 0.14 2.17 0.00 -0.59 -1.88 105.19 101.47 2wdx n GLY 157 Ca 0.07 0.57 0.01 0.00 0.00 0.00 0.00 46.02 46.67 2wdx n GLY 157 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wdx h GLY 158 N 0.00 0.00 0.08 -0.02 0.00 -1.87 -3.38 103.07 97.88 2wdx h GLY 158 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 2wdx h GLY 158 CO -0.10 0.00 -0.01 0.84 0.00 0.00 0.00 176.54 177.27 2wdx h HIS 159 N 0.00 -0.03 0.36 5.60 -0.00 -1.18 -2.87 115.15 117.02 2wdx h HIS 159 Ca -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.35 2wdx h HIS 159 Cb 1.19 0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 28.60 2wdx h HIS 159 CO 0.00 0.62 -0.24 0.82 -0.00 0.00 0.00 177.93 179.13 2wdx h ILE 160 N -0.95 0.50 0.00 6.26 1.08 -1.58 -1.42 117.51 121.39 2wdx h ILE 160 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2wdx h ILE 160 Cb 0.67 0.50 0.00 0.00 -3.07 0.00 0.00 36.82 34.91 2wdx h ILE 160 CO 0.01 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.47 2wdx n GLY 162 N -0.42 -1.01 0.14 0.00 0.00 -1.08 -1.43 105.19 101.38 2wdx n GLY 162 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 1.44 0.85 3.68 -0.02 0.00 -0.57 -4.06 105.19 106.50 2wdx n GLY 163 Ca 0.08 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.07 0.49 3.29 -0.02 0.00 -0.56 -4.72 105.19 103.60 2wdx n GLY 164 Ca 0.00 0.36 -0.09 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.87 0.42 0.00 1.61 1.13 -1.26 -1.05 117.35 117.33 2wdx s TYR 165 Ca 0.59 -0.80 0.00 0.00 -1.41 0.00 0.00 57.07 55.44 2wdx s TYR 165 Cb -0.61 -0.12 0.00 0.00 -1.10 0.00 0.00 41.96 40.13 2wdx s TYR 165 CO 0.59 -0.66 0.00 0.41 -2.51 0.00 0.00 175.55 173.38 2wdx n GLY 166 N -0.17 2.24 0.32 5.49 0.00 -1.08 -2.60 105.19 109.39 2wdx n GLY 166 Ca -0.08 -0.29 0.18 0.00 0.00 0.00 0.00 46.02 45.82 2wdx n GLY 166 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wdx h PRO 167 N 0.00 0.00 -0.17 1.61 0.13 -1.92 -1.53 132.00 130.11 2wdx h PRO 167 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2wdx h PRO 167 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2wdx h PRO 167 CO 0.00 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.05 2wdx n LEU 168 N -3.56 3.09 -0.05 1.56 4.77 -1.26 -4.57 117.00 116.98 2wdx n LEU 168 Ca -0.01 -1.16 -0.12 0.00 -0.03 0.00 0.00 56.01 54.69 2wdx n LEU 168 Cb 0.18 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 2wdx n LEU 168 CO 0.24 0.58 0.75 0.28 -1.33 0.00 0.00 177.39 177.91 2wdx h SER 169 N 4.46 0.25 -0.35 -1.43 0.02 -1.42 0.31 113.55 115.38 2wdx h SER 169 Ca 0.00 -0.30 0.10 0.00 -0.84 0.00 0.00 61.79 60.75 2wdx h SER 169 Cb 0.96 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 2wdx h SER 169 CO 0.00 0.49 0.62 0.03 -1.14 0.00 0.00 176.83 176.83 2wdx h ARG 170 N -0.00 0.00 0.00 3.45 3.08 -1.77 0.40 114.38 119.54 2wdx h ARG 170 Ca 0.04 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.71 2wdx h ARG 170 Cb 0.36 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.34 2wdx h ARG 170 CO 0.01 0.00 -2.44 0.94 -1.07 0.00 0.00 179.97 177.41 2wdx n GLN 171 N -3.23 0.67 0.00 0.04 7.27 -0.89 -1.09 117.38 120.14 2wdx n GLN 171 Ca 0.07 0.09 0.00 0.00 0.07 0.00 0.00 57.00 57.23 2wdx n GLN 171 Cb 0.76 -1.52 0.00 0.00 2.41 0.00 0.00 30.24 31.89 2wdx n GLN 171 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 2wdx n PHE 172 N -3.07 0.00 -0.11 3.69 3.72 0.05 -4.79 117.46 116.95 2wdx n PHE 172 Ca -0.41 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 56.99 2wdx n PHE 172 Cb 1.06 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.60 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 0.60 -1.90 3.82 1.37 0.00 0.14 -4.89 105.19 104.32 2wdx n GLY 173 Ca 0.00 -2.05 -0.31 0.00 0.00 0.00 0.00 46.02 43.66 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 -3.68 5.31 0.37 1.61 0.15 -1.26 -4.11 113.70 112.09 2wdx s SER 174 Ca 0.00 1.61 0.07 0.00 0.70 0.00 0.00 55.95 58.34 2wdx s SER 174 Cb 0.00 -2.48 0.80 0.00 -1.71 0.00 0.00 66.02 62.63 2wdx s SER 174 CO 0.00 -1.49 1.95 1.62 1.20 0.00 0.00 173.24 176.52 2wdx h VAL 175 N -0.75 0.98 0.00 4.45 3.04 -1.18 -2.28 116.25 120.51 2wdx h VAL 175 Ca -0.44 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.01 2wdx h VAL 175 Cb 1.21 0.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 2wdx h VAL 175 CO 0.57 0.13 0.00 -0.37 -1.01 0.00 0.00 177.57 176.88 2wdx h VAL 176 N 0.69 0.00 0.00 1.51 -1.51 -1.83 -2.03 116.25 113.09 2wdx h VAL 176 Ca 0.32 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 65.36 2wdx h VAL 176 Cb 0.35 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 30.87 2wdx h VAL 176 CO -0.11 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.70 2wdx n ASP 177 N -2.82 0.00 -0.02 4.19 10.43 -0.86 -2.17 116.55 125.30 2wdx n ASP 177 Ca 0.01 0.09 0.00 0.00 2.57 0.00 0.00 54.79 57.46 2wdx n ASP 177 Cb 0.29 -0.28 0.00 0.00 1.84 0.00 0.00 41.12 42.98 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 -1.28 0.01 -2.68 1.24 4.01 -0.76 -4.60 117.16 113.10 2wdx n TYR 178 Ca 0.06 -0.34 -0.43 0.00 -0.16 0.00 0.00 57.90 57.03 2wdx n TYR 178 Cb 0.10 -0.03 -0.03 0.00 -0.31 0.00 0.00 39.34 39.07 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 -0.70 3.82 -0.14 7.72 2.96 -0.92 -0.32 118.68 131.10 2wdx s LEU 179 Ca 0.01 0.54 -0.04 0.00 -0.22 0.00 0.00 54.13 54.42 2wdx s LEU 179 Cb 0.00 -3.44 -0.25 0.00 0.50 0.00 0.00 46.19 43.01 2wdx s LEU 179 CO 0.01 -1.08 0.28 0.00 -1.32 0.00 0.00 176.35 174.24 2wdx n TYR 180 N 7.35 1.03 -3.73 5.38 9.36 -0.42 -4.75 117.16 131.39 2wdx n TYR 180 Ca 0.10 0.23 -0.10 0.00 3.32 0.00 0.00 57.90 61.45 2wdx n TYR 180 Cb 0.48 -1.14 -0.04 0.00 -0.63 0.00 0.00 39.34 38.02 2wdx n TYR 180 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wdx s ALA 181 N -2.55 -0.96 -0.06 2.98 0.00 -1.05 -0.49 121.76 119.63 2wdx s ALA 181 Ca -0.23 -0.19 -0.04 0.00 0.00 0.00 0.00 51.96 51.49 2wdx s ALA 181 Cb 0.07 0.85 0.02 0.00 0.00 0.00 0.00 23.12 24.07 2wdx s ALA 181 CO 0.75 -0.80 0.14 0.54 0.00 0.00 0.00 175.76 176.38 2wdx s VAL 182 N -3.87 -0.02 -0.24 0.00 0.11 -0.36 -0.92 120.40 115.10 2wdx s VAL 182 Ca 0.09 0.08 -0.07 0.00 -2.93 0.00 0.00 61.98 59.15 2wdx s VAL 182 Cb -0.01 -0.22 -0.03 0.00 -1.53 0.00 0.00 36.38 34.59 2wdx s VAL 182 CO -0.03 0.03 0.07 -0.70 -3.33 0.00 0.00 175.10 171.14 2wdx s GLU 183 N 0.57 3.68 -0.04 1.54 2.12 -0.48 -0.98 118.70 125.11 2wdx s GLU 183 Ca -0.04 -0.47 0.05 0.00 0.36 0.00 0.00 54.97 54.87 2wdx s GLU 183 Cb -0.06 -3.32 -0.01 0.00 0.26 0.00 0.00 34.13 31.01 2wdx s GLU 183 CO -0.03 -0.15 -0.18 0.08 -0.54 0.00 0.00 175.26 174.44 2wdx s VAL 184 N 1.51 1.50 -0.40 3.70 1.01 0.26 0.40 120.40 128.39 2wdx s VAL 184 Ca 0.06 -0.77 -0.23 0.00 0.00 0.00 0.00 61.98 61.04 2wdx s VAL 184 Cb -0.15 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 34.97 2wdx s VAL 184 CO 0.04 0.43 0.76 -0.69 0.00 0.00 0.00 175.10 175.64 2wdx s VAL 185 N -0.12 4.72 0.24 2.92 1.01 0.66 -0.65 120.40 129.18 2wdx s VAL 185 Ca -0.00 0.65 0.08 0.00 0.00 0.00 0.00 61.98 62.70 2wdx s VAL 185 Cb -0.10 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 2wdx s VAL 185 CO 0.01 -0.53 0.10 0.68 0.00 0.00 0.00 175.10 175.36 2wdx s VAL 186 N 3.12 4.01 -0.21 2.92 -7.23 0.13 -1.81 120.40 121.32 2wdx s VAL 186 Ca 0.30 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 2wdx s VAL 186 Cb -0.13 -3.13 0.03 0.00 0.56 0.00 0.00 36.38 33.70 2wdx s VAL 186 CO 0.19 -0.31 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.84 2wdx s VAL 187 N -2.12 2.38 1.11 1.32 1.01 -1.25 -1.59 120.40 121.25 2wdx s VAL 187 Ca 0.32 -1.05 -0.18 0.00 0.00 0.00 0.00 61.98 61.06 2wdx s VAL 187 Cb -0.08 -2.13 0.25 0.00 0.00 0.00 0.00 36.38 34.42 2wdx s VAL 187 CO 0.22 0.34 1.19 0.54 0.00 0.00 0.00 175.10 177.40 2wdx s ASN 188 N 1.28 1.78 0.28 3.32 6.03 -0.78 -4.24 114.94 122.61 2wdx s ASN 188 Ca 0.01 0.49 0.02 0.00 -1.03 0.00 0.00 52.86 52.35 2wdx s ASN 188 Cb -0.15 -0.65 0.58 0.00 -3.03 0.00 0.00 41.25 38.00 2wdx s ASN 188 CO -0.09 -3.58 1.82 0.50 -2.03 0.00 0.00 177.10 173.72 2wdx h LYS 189 N -2.21 0.88 0.00 3.55 1.63 -1.94 0.37 116.57 118.85 2wdx h LYS 189 Ca -0.45 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 2wdx h LYS 189 Cb 1.27 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 2wdx h LYS 189 CO 0.36 0.58 0.00 1.04 -3.45 0.00 0.00 179.45 177.98 2wdx n GLN 190 N -4.68 0.36 -1.18 1.90 3.00 -1.26 -4.88 117.38 110.64 2wdx n GLN 190 Ca 0.20 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 2wdx n GLN 190 Cb 0.40 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.14 2wdx n GLN 190 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2wdx n GLY 191 N 0.90 0.75 3.76 1.08 0.00 0.12 -5.05 105.19 106.75 2wdx n GLY 191 Ca 0.12 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.54 4.03 0.10 1.61 -0.14 -1.26 -4.81 119.74 116.73 2wdx s LYS 192 Ca 0.00 -0.18 -0.24 0.00 -1.36 0.00 0.00 55.97 54.20 2wdx s LYS 192 Cb 0.00 -3.37 -0.07 0.00 -1.68 0.00 0.00 37.83 32.71 2wdx s LYS 192 CO 0.00 0.40 0.73 0.00 -0.76 0.00 0.00 175.35 175.72 2wdx s ALA 193 N 0.05 3.45 0.09 5.17 0.00 -1.26 -1.86 121.76 127.40 2wdx s ALA 193 Ca 0.10 0.26 -0.03 0.00 0.00 0.00 0.00 51.96 52.29 2wdx s ALA 193 Cb -0.11 -2.90 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 2wdx s ALA 193 CO -0.00 0.23 0.07 -0.98 0.00 0.00 0.00 175.76 175.07 2wdx s ARG 194 N -0.72 0.79 -0.16 0.00 1.70 -0.62 -4.97 118.95 114.96 2wdx s ARG 194 Ca 0.35 -1.21 -0.05 0.00 -0.47 0.00 0.00 55.73 54.35 2wdx s ARG 194 Cb -0.21 0.26 -0.03 0.00 -0.57 0.00 0.00 34.95 34.39 2wdx s ARG 194 CO 0.23 -0.21 0.01 0.08 -1.08 0.00 0.00 175.30 174.33 2wdx s VAL 195 N -3.94 4.30 0.01 4.99 1.01 -1.26 -0.69 120.40 124.81 2wdx s VAL 195 Ca 0.12 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 61.97 2wdx s VAL 195 Cb 0.07 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 2wdx s VAL 195 CO -0.06 0.49 -0.26 -0.63 0.00 0.00 0.00 175.10 174.63 2wdx s ILE 196 N 0.29 2.10 -0.34 2.22 1.01 0.18 -4.97 121.20 121.69 2wdx s ILE 196 Ca -0.00 -1.22 -0.06 0.00 0.00 0.00 0.00 60.65 59.37 2wdx s ILE 196 Cb -0.13 -1.76 0.04 0.00 0.01 0.00 0.00 42.46 40.62 2wdx s ILE 196 CO 0.02 0.50 0.10 -0.69 0.00 0.00 0.00 174.94 174.86 2wdx s VAL 197 N -0.69 3.75 -0.11 2.92 1.01 -1.26 -0.58 120.40 125.44 2wdx s VAL 197 Ca 0.11 -1.13 -0.02 0.00 0.00 0.00 0.00 61.98 60.94 2wdx s VAL 197 Cb -0.10 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 2wdx s VAL 197 CO 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 175.10 174.89 2wdx s ALA 198 N 1.40 3.04 0.43 5.51 0.00 -0.15 -4.88 121.76 127.10 2wdx s ALA 198 Ca -0.02 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.14 2wdx s ALA 198 Cb -0.19 -1.43 -0.05 0.00 0.00 0.00 0.00 23.12 21.45 2wdx s ALA 198 CO 0.03 0.40 0.03 0.95 0.00 0.00 0.00 175.76 177.17 2wdx s THR 199 N -0.24 1.42 -1.23 0.00 -4.23 -1.26 -1.23 115.64 108.87 2wdx s THR 199 Ca 0.04 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.81 2wdx s THR 199 Cb -0.13 -2.62 0.34 0.00 1.34 0.00 0.00 72.50 71.43 2wdx s THR 199 CO 0.02 0.00 1.85 -1.14 -0.54 0.00 0.00 174.62 174.81 2wdx n ARG 200 N -1.00 0.20 -2.02 3.99 0.63 0.36 -4.57 116.66 114.25 2wdx n ARG 200 Ca -0.09 0.05 -0.42 0.00 -0.92 0.00 0.00 57.85 56.47 2wdx n ARG 200 Cb 0.67 -1.50 -0.03 0.00 0.45 0.00 0.00 32.46 32.05 2wdx n ARG 200 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2wdx s GLU 201 N -2.77 4.20 0.56 -0.14 2.02 -1.26 -4.89 118.70 116.42 2wdx s GLU 201 Ca 0.19 2.19 0.24 0.00 0.02 0.00 0.00 54.97 57.61 2wdx s GLU 201 Cb 0.17 -3.87 1.57 0.00 0.10 0.00 0.00 34.13 32.10 2wdx s GLU 201 CO 0.43 -0.79 2.17 0.00 0.02 0.00 0.00 175.26 177.08 2wdx h ARG 202 N 9.11 0.00 -0.06 1.61 -0.00 -2.00 0.16 114.38 123.20 2wdx h ARG 202 Ca -0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.08 2wdx h ARG 202 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.15 2wdx h ARG 202 CO 0.94 0.00 0.00 -0.40 0.00 0.00 0.00 179.97 180.51 2wdx n ASP 203 N -4.12 1.23 -4.68 7.04 5.75 -1.26 -4.89 116.55 115.62 2wdx n ASP 203 Ca -0.01 -1.50 -0.47 0.00 -0.01 0.00 0.00 54.79 52.81 2wdx n ASP 203 Cb 0.18 -0.03 -0.04 0.00 -1.03 0.00 0.00 41.12 40.19 2wdx n ASP 203 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2wdx n ASP 204 N -0.01 3.52 0.34 -1.12 -0.08 0.54 -4.85 116.55 114.89 2wdx n ASP 204 Ca 0.18 0.98 0.21 0.00 -1.51 0.00 0.00 54.79 54.65 2wdx n ASP 204 Cb 0.29 -1.41 1.10 0.00 2.34 0.00 0.00 41.12 43.44 2wdx n ASP 204 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2wdx h PRO 205 N 8.86 0.00 -0.49 -0.67 0.13 -1.90 -1.30 132.00 136.63 2wdx h PRO 205 Ca -0.48 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.33 2wdx h PRO 205 Cb 1.26 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.18 2wdx h PRO 205 CO 0.94 0.00 -0.27 0.72 -0.23 0.00 0.00 178.00 179.16 2wdx n HIS 206 N -3.02 1.67 -0.18 1.56 8.25 -1.26 -4.82 115.22 117.42 2wdx n HIS 206 Ca -0.03 -1.94 -0.04 0.00 -0.26 0.00 0.00 57.72 55.45 2wdx n HIS 206 Cb 0.17 -0.52 0.06 0.00 1.12 0.00 0.00 29.99 30.82 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 1.47 0.52 -1.00 4.41 2.76 -1.48 -2.60 115.15 119.23 2wdx h HIS 207 Ca 0.28 0.02 0.12 0.00 -2.20 0.00 0.00 60.37 58.59 2wdx h HIS 207 Cb 1.44 -0.15 -0.09 0.00 1.55 0.00 0.00 27.41 30.16 2wdx h HIS 207 CO 0.99 0.26 0.63 -0.44 -1.30 0.00 0.00 177.93 178.07 2wdx h ASP 208 N 0.55 0.92 -0.42 3.26 3.32 -1.88 -0.74 116.42 121.43 2wdx h ASP 208 Ca 0.24 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 2wdx h ASP 208 Cb 0.13 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2wdx h ASP 208 CO -0.16 0.48 0.02 0.25 -1.72 0.00 0.00 179.24 178.12 2wdx h LEU 209 N 0.98 0.70 -0.16 1.55 6.46 -1.87 -1.59 115.31 121.39 2wdx h LEU 209 Ca 0.50 -0.29 0.03 0.00 -0.12 0.00 0.00 57.88 58.00 2wdx h LEU 209 Cb 0.51 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.22 2wdx h LEU 209 CO -0.27 0.82 -0.05 -0.25 -0.62 0.00 0.00 178.44 178.07 2wdx h TRP 210 N 0.56 -0.10 -0.68 1.25 7.01 -1.04 -2.89 115.95 120.06 2wdx h TRP 210 Ca 0.12 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.15 2wdx h TRP 210 Cb 0.45 0.07 -0.03 0.00 -2.10 0.00 0.00 29.16 27.54 2wdx h TRP 210 CO 0.03 -0.08 0.45 2.35 -2.79 0.00 0.00 178.44 178.40 2wdx h TRP 211 N -0.01 0.83 0.00 2.65 7.01 -1.02 -1.15 115.95 124.25 2wdx h TRP 211 Ca 0.08 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 2wdx h TRP 211 Cb 0.13 -0.28 -0.00 0.00 -2.10 0.00 0.00 29.16 26.91 2wdx h TRP 211 CO -0.20 0.51 -0.05 0.00 -2.79 0.00 0.00 178.44 175.91 2wdx h ALA 212 N 1.59 1.59 -0.05 2.65 0.00 -1.08 -1.39 119.26 122.57 2wdx h ALA 212 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2wdx h ALA 212 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2wdx h ALA 212 CO -0.06 0.06 0.00 0.72 0.00 0.00 0.00 179.25 179.97 2wdx n HIS 213 N -3.99 0.05 -0.64 0.00 8.25 -0.44 -0.72 115.22 117.73 2wdx n HIS 213 Ca -0.03 -0.03 -0.17 0.00 -0.26 0.00 0.00 57.72 57.23 2wdx n HIS 213 Cb 0.13 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.32 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 -0.00 2.62 0.00 1.59 -2.24 -0.52 -4.03 114.28 111.70 2wdx n THR 214 Ca 0.19 -1.52 0.00 0.00 -2.27 0.00 0.00 64.05 60.45 2wdx n THR 214 Cb 0.30 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 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 -0.21 -0.62 0.18 3.38 0.00 -0.86 -2.26 105.19 104.80 2wdx n GLY 215 Ca 0.36 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.49 -3.43 103.07 99.12 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 0.22 2.10 3.72 4.60 0.00 -0.52 -4.97 105.19 110.34 2wdx n GLY 217 Ca -0.00 -1.77 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.07 1.57 -0.61 -0.02 0.00 -1.26 -4.10 107.32 102.83 2wdx s GLY 218 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.29 2wdx s GLY 218 CO 0.00 0.16 0.00 0.61 0.00 0.00 0.00 173.10 173.87 2wdx n GLY 219 N -1.53 0.76 0.33 0.20 0.00 -1.26 -4.91 105.19 98.77 2wdx n GLY 219 Ca 0.06 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.10 1.55 -0.00 1.61 4.13 -1.26 -3.61 115.26 117.58 2wdx n ASN 220 Ca -0.06 0.27 0.05 0.00 1.68 0.00 0.00 54.58 56.51 2wdx n ASN 220 Cb 0.31 -0.63 -0.06 0.00 -1.54 0.00 0.00 39.78 37.85 2wdx n ASN 220 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2wdx n PHE 221 N -4.01 0.00 -0.67 3.10 3.72 -1.26 -4.62 117.46 113.72 2wdx n PHE 221 Ca -0.37 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.03 2wdx n PHE 221 Cb 0.73 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 39.13 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 1.71 0.69 3.32 1.37 0.00 -1.26 -4.52 105.19 106.50 2wdx n GLY 222 Ca -0.01 -1.72 -0.36 0.00 0.00 0.00 0.00 46.02 43.94 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 -3.08 3.61 -0.14 1.61 1.01 -0.75 -4.69 120.40 117.97 2wdx s VAL 223 Ca 0.00 -0.58 -0.29 0.00 0.00 0.00 0.00 61.98 61.11 2wdx s VAL 223 Cb 0.00 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 2wdx s VAL 223 CO 0.00 0.28 1.37 -0.69 0.00 0.00 0.00 175.10 176.06 2wdx s VAL 224 N 1.48 4.08 -0.05 2.92 1.01 -1.26 -0.24 120.40 128.34 2wdx s VAL 224 Ca 0.04 1.30 0.19 0.00 0.00 0.00 0.00 61.98 63.51 2wdx s VAL 224 Cb -0.16 -3.86 -0.29 0.00 0.00 0.00 0.00 36.38 32.07 2wdx s VAL 224 CO -0.01 -0.13 0.38 0.35 0.00 0.00 0.00 175.10 175.69 2wdx n THR 225 N 5.46 0.17 -3.76 3.92 -2.24 0.16 -4.75 114.28 113.24 2wdx n THR 225 Ca 0.15 -0.49 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 2wdx n THR 225 Cb 0.44 -0.02 -0.09 0.00 -2.10 0.00 0.00 70.33 68.56 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 -3.23 0.62 0.02 -0.78 1.02 -1.09 -4.37 119.74 111.92 2wdx s LYS 226 Ca -0.07 -0.08 0.05 0.00 0.02 0.00 0.00 55.97 55.89 2wdx s LYS 226 Cb 0.12 0.28 -0.03 0.00 -0.52 0.00 0.00 37.83 37.67 2wdx s LYS 226 CO 0.80 -0.16 -0.12 0.71 -0.92 0.00 0.00 175.35 175.67 2wdx s TYR 227 N -1.06 2.74 -0.07 3.18 1.51 -0.59 -1.38 117.35 121.68 2wdx s TYR 227 Ca -0.11 -0.14 0.05 0.00 -1.01 0.00 0.00 57.07 55.86 2wdx s TYR 227 Cb -0.05 -1.54 -0.01 0.00 -0.11 0.00 0.00 41.96 40.26 2wdx s TYR 227 CO 0.04 0.32 -0.24 -1.58 -1.11 0.00 0.00 175.55 172.98 2wdx s TRP 228 N -0.98 2.50 -0.06 2.71 0.51 -0.09 -0.72 118.94 122.81 2wdx s TRP 228 Ca 0.16 -0.79 0.03 0.00 -2.12 0.00 0.00 56.10 53.39 2wdx s TRP 228 Cb -0.11 -1.64 0.00 0.00 -0.81 0.00 0.00 33.47 30.92 2wdx s TRP 228 CO 0.07 -0.26 -0.15 -1.64 -0.51 0.00 0.00 176.95 174.46 2wdx s MET 229 N -0.03 1.85 -0.29 4.98 -1.94 0.19 -1.30 119.30 122.77 2wdx s MET 229 Ca -0.07 -0.53 -0.18 0.00 -1.71 0.00 0.00 55.69 53.19 2wdx s MET 229 Cb -0.15 -1.53 0.14 0.00 2.01 0.00 0.00 34.83 35.29 2wdx s MET 229 CO 0.05 0.13 0.97 0.50 -0.01 0.00 0.00 175.02 176.66 2wdx s ARG 230 N 0.37 0.42 0.25 2.03 3.52 0.56 -1.62 118.95 124.48 2wdx s ARG 230 Ca -0.10 0.68 -0.31 0.00 -0.13 0.00 0.00 55.73 55.87 2wdx s ARG 230 Cb -0.14 0.11 -0.13 0.00 -1.56 0.00 0.00 34.95 33.23 2wdx s ARG 230 CO 0.04 -0.08 1.51 0.28 -0.81 0.00 0.00 175.30 176.23 2wdx n VAL 231 N 3.45 0.88 0.26 7.11 0.31 0.14 -4.45 118.33 126.02 2wdx n VAL 231 Ca -0.17 -0.22 0.14 0.00 -0.01 0.00 0.00 64.34 64.08 2wdx n VAL 231 Cb 0.57 -1.69 0.63 0.00 -0.91 0.00 0.00 33.84 32.44 2wdx n VAL 231 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2wdx h PRO 232 N 4.66 0.00 -7.35 5.55 0.11 -1.91 -3.45 132.00 129.62 2wdx h PRO 232 Ca -0.46 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.22 2wdx h PRO 232 Cb 1.25 0.00 0.18 0.00 0.11 0.00 0.00 31.00 32.54 2wdx h PRO 232 CO 0.79 0.10 0.14 -1.21 -0.21 0.00 0.00 178.00 177.62 2wdx s GLU 233 N -3.76 -0.47 -0.34 1.05 8.01 -1.26 -5.02 118.70 116.91 2wdx s GLU 233 Ca 0.00 0.28 -0.09 0.00 0.01 0.00 0.00 54.97 55.17 2wdx s GLU 233 Cb 0.10 -1.65 0.02 0.00 -4.31 0.00 0.00 34.13 28.29 2wdx s GLU 233 CO 0.58 -3.28 0.15 0.34 0.01 0.00 0.00 175.26 173.06 2wdx s ASP 234 N -3.56 5.51 -0.06 -0.19 -1.08 -1.26 -4.91 116.67 111.11 2wdx s ASP 234 Ca 0.68 -0.90 0.09 0.00 -0.52 0.00 0.00 52.55 51.89 2wdx s ASP 234 Cb -0.15 -1.96 0.14 0.00 -1.46 0.00 0.00 42.92 39.48 2wdx s ASP 234 CO 0.57 -0.31 1.07 1.33 0.52 0.00 0.00 175.17 178.36 2wdx n VAL 235 N 4.93 0.88 -4.12 1.11 0.24 -1.26 -5.10 118.33 115.02 2wdx n VAL 235 Ca -0.13 -1.07 0.00 0.00 -2.04 0.00 0.00 64.34 61.10 2wdx n VAL 235 Cb 0.47 0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 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 -0.66 -0.08 1.09 7.63 0.00 -1.26 -4.13 105.19 107.79 2wdx n GLY 236 Ca 0.08 -1.02 0.02 0.00 0.00 0.00 0.00 46.02 45.09 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 2.36 1.47 -3.24 1.61 1.74 -1.26 -4.98 116.66 114.37 2wdx n ARG 237 Ca 0.00 -3.12 -0.42 0.00 -0.77 0.00 0.00 57.85 53.54 2wdx n ARG 237 Cb 0.00 -1.32 -0.08 0.00 -1.02 0.00 0.00 32.46 30.04 2wdx n ARG 237 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2wdx s ASN 238 N -3.02 6.27 0.40 0.55 3.04 -1.26 -4.96 114.94 115.95 2wdx s ASN 238 Ca 0.38 -0.39 0.08 0.00 0.04 0.00 0.00 52.86 52.97 2wdx s ASN 238 Cb 0.38 -2.26 0.82 0.00 -1.54 0.00 0.00 41.25 38.64 2wdx s ASN 238 CO -0.08 -0.61 1.98 -0.65 -3.04 0.00 0.00 177.10 174.70 2wdx h PRO 239 N 8.70 0.38 -0.16 0.43 0.11 -1.94 -0.52 132.00 139.01 2wdx h PRO 239 Ca -0.27 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 65.83 2wdx h PRO 239 Cb 1.11 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2wdx h PRO 239 CO 0.82 0.37 0.20 0.93 -0.21 0.00 0.00 178.00 180.10 2wdx h GLU 240 N 0.37 0.00 -0.01 1.05 5.08 -1.93 -2.29 114.58 116.85 2wdx h GLU 240 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2wdx h GLU 240 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2wdx h GLU 240 CO -0.00 0.00 -0.64 -2.13 -1.00 0.00 0.00 179.01 175.24 2wdx n ARG 241 N -3.68 0.64 0.13 2.33 0.63 -0.22 -4.54 116.66 111.95 2wdx n ARG 241 Ca 0.01 -0.50 0.12 0.00 -0.92 0.00 0.00 57.85 56.56 2wdx n ARG 241 Cb 0.31 -1.49 0.22 0.00 0.45 0.00 0.00 32.46 31.95 2wdx n ARG 241 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2wdx h LEU 242 N 1.23 0.00 -8.29 6.15 3.38 -1.27 -3.46 115.31 113.06 2wdx h LEU 242 Ca 0.00 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.76 2wdx h LEU 242 Cb 0.62 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.21 2wdx h LEU 242 CO 0.00 0.02 -0.69 -0.76 0.09 0.00 0.00 178.44 177.10 2wdx s LEU 243 N -5.11 2.46 0.62 1.67 1.43 -1.26 0.26 118.68 118.75 2wdx s LEU 243 Ca 0.07 -0.94 -0.18 0.00 -1.03 0.00 0.00 54.13 52.05 2wdx s LEU 243 Cb 0.10 0.08 -0.04 0.00 0.03 0.00 0.00 46.19 46.36 2wdx s LEU 243 CO 0.67 -0.51 1.05 -0.81 0.23 0.00 0.00 176.35 176.99 2wdx n PRO 244 N 0.25 0.94 -3.30 1.29 -0.04 -1.24 -4.65 135.00 128.25 2wdx n PRO 244 Ca -0.15 0.37 -0.41 0.00 -0.04 0.00 0.00 63.50 63.28 2wdx n PRO 244 Cb 0.60 -2.27 -0.08 0.00 -0.04 0.00 0.00 33.50 31.71 2wdx n PRO 244 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2wdx s LYS 245 N -2.94 3.76 0.52 0.54 2.20 -1.26 -0.75 119.74 121.81 2wdx s LYS 245 Ca 0.78 -0.09 -0.21 0.00 -0.36 0.00 0.00 55.97 56.09 2wdx s LYS 245 Cb -0.40 -3.75 -0.06 0.00 -1.51 0.00 0.00 37.83 32.10 2wdx s LYS 245 CO 0.45 -0.50 1.18 -1.25 -0.36 0.00 0.00 175.35 174.86 2wdx s PRO 246 N 2.25 3.42 0.24 4.03 0.04 -1.26 -4.92 135.00 138.79 2wdx s PRO 246 Ca 0.17 1.77 -0.31 0.00 0.04 0.00 0.00 61.00 62.67 2wdx s PRO 246 Cb -0.16 -2.17 -0.13 0.00 0.04 0.00 0.00 34.50 32.09 2wdx s PRO 246 CO 0.12 -0.84 1.53 -0.35 0.04 0.00 0.00 177.00 177.50 2wdx n PRO 247 N -1.02 2.34 -0.22 0.56 -0.04 -1.26 -4.89 135.00 130.47 2wdx n PRO 247 Ca 0.10 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.40 2wdx n PRO 247 Cb 0.49 -2.57 0.11 0.00 -0.04 0.00 0.00 33.50 31.49 2wdx n PRO 247 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wdx h ALA 248 N 4.95 0.85 -2.65 0.55 0.00 -1.96 -3.39 119.26 117.61 2wdx h ALA 248 Ca -0.45 0.06 -0.29 0.00 0.00 0.00 0.00 54.91 54.23 2wdx h ALA 248 Cb 1.25 -0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.86 2wdx h ALA 248 CO 0.81 -0.12 -0.72 0.95 0.00 0.00 0.00 179.25 180.17 2wdx s THR 249 N -6.08 0.82 -0.04 0.00 -4.23 -1.26 -1.15 115.64 103.70 2wdx s THR 249 Ca -0.13 -1.65 0.07 0.00 -1.18 0.00 0.00 61.69 58.80 2wdx s THR 249 Cb 0.17 -1.35 -0.01 0.00 1.34 0.00 0.00 72.50 72.65 2wdx s THR 249 CO 0.75 -0.62 -0.24 -0.76 -0.54 0.00 0.00 174.62 173.20 2wdx s LEU 250 N -2.50 2.05 -0.38 4.79 2.01 0.13 -2.33 118.68 122.45 2wdx s LEU 250 Ca 0.05 -0.47 -0.23 0.00 0.01 0.00 0.00 54.13 53.49 2wdx s LEU 250 Cb -0.02 -1.31 0.01 0.00 0.01 0.00 0.00 46.19 44.89 2wdx s LEU 250 CO -0.01 0.27 0.75 -0.22 1.01 0.00 0.00 176.35 178.15 2wdx s LEU 251 N -0.35 4.19 0.36 1.79 2.96 -0.09 0.31 118.68 127.86 2wdx s LEU 251 Ca 0.02 0.19 0.08 0.00 -0.22 0.00 0.00 54.13 54.21 2wdx s LEU 251 Cb -0.12 -2.96 -0.05 0.00 0.50 0.00 0.00 46.19 43.56 2wdx s LEU 251 CO 0.01 -0.75 0.07 0.42 -1.32 0.00 0.00 176.35 174.79 2wdx s THR 252 N 3.06 2.59 -0.29 3.68 -4.23 0.81 -1.02 115.64 120.25 2wdx s THR 252 Ca 0.29 -1.87 -0.25 0.00 -1.18 0.00 0.00 61.69 58.68 2wdx s THR 252 Cb -0.13 -2.88 0.17 0.00 1.34 0.00 0.00 72.50 70.99 2wdx s THR 252 CO 0.18 -0.14 1.30 -0.55 -0.54 0.00 0.00 174.62 174.86 2wdx s SER 253 N -3.78 -0.19 -0.26 3.99 0.15 -0.59 -1.53 113.70 111.50 2wdx s SER 253 Ca 0.37 0.35 0.03 0.00 0.70 0.00 0.00 55.95 57.40 2wdx s SER 253 Cb 0.01 0.36 0.06 0.00 -1.71 0.00 0.00 66.02 64.73 2wdx s SER 253 CO 0.20 -0.07 -0.11 -0.89 1.20 0.00 0.00 173.24 173.57 2wdx s THR 254 N 0.04 2.18 0.20 6.45 2.01 -1.26 0.60 115.64 125.86 2wdx s THR 254 Ca 0.06 -1.59 -0.30 0.00 0.31 0.00 0.00 61.69 60.17 2wdx s THR 254 Cb -0.05 -2.26 -0.08 0.00 0.01 0.00 0.00 72.50 70.12 2wdx s THR 254 CO -0.12 0.01 1.08 -0.69 -0.69 0.00 0.00 174.62 174.21 2wdx s VAL 255 N 1.12 3.81 0.11 3.82 1.01 -0.75 -4.48 120.40 125.04 2wdx s VAL 255 Ca -0.08 1.64 0.10 0.00 0.00 0.00 0.00 61.98 63.64 2wdx s VAL 255 Cb -0.20 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 2wdx s VAL 255 CO -0.05 0.31 -0.26 -0.89 0.00 0.00 0.00 175.10 174.21 2wdx s THR 256 N -0.52 2.31 -0.04 3.92 2.01 -0.75 0.31 115.64 122.90 2wdx s THR 256 Ca 0.48 -1.65 0.03 0.00 0.31 0.00 0.00 61.69 60.86 2wdx s THR 256 Cb -0.30 -2.01 0.00 0.00 0.01 0.00 0.00 72.50 70.21 2wdx s THR 256 CO 0.36 0.15 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.95 2wdx s PHE 257 N -1.02 1.34 -0.34 4.92 0.40 -0.53 0.47 117.98 123.21 2wdx s PHE 257 Ca 0.14 -0.37 -0.16 0.00 -0.60 0.00 0.00 56.93 55.94 2wdx s PHE 257 Cb -0.10 -0.92 -0.01 0.00 0.51 0.00 0.00 43.02 42.50 2wdx s PHE 257 CO 0.06 -0.14 0.41 0.34 0.70 0.00 0.00 175.22 176.59 2wdx s ASP 258 N 0.13 6.23 0.28 1.36 3.68 -1.10 -4.45 116.67 122.80 2wdx s ASP 258 Ca -0.04 -0.15 0.02 0.00 2.13 0.00 0.00 52.55 54.51 2wdx s ASP 258 Cb -0.10 -2.22 0.69 0.00 -1.45 0.00 0.00 42.92 39.83 2wdx s ASP 258 CO 0.01 -0.38 1.66 -0.50 0.13 0.00 0.00 175.17 176.09 2wdx h TRP 259 N 8.45 0.39 -0.65 -5.34 4.06 -1.94 -2.02 115.95 118.91 2wdx h TRP 259 Ca -0.29 0.05 0.00 0.00 2.06 0.00 0.00 58.89 60.71 2wdx h TRP 259 Cb 1.14 -0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 29.23 2wdx h TRP 259 CO 0.70 -0.17 0.41 0.00 -3.56 0.00 0.00 178.44 175.82 2wdx h ALA 260 N 1.75 1.51 -0.01 1.49 0.00 -2.01 -1.92 119.26 120.07 2wdx h ALA 260 Ca 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2wdx h ALA 260 Cb 1.06 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2wdx h ALA 260 CO -0.62 0.44 -0.24 0.41 0.00 0.00 0.00 179.25 179.24 2wdx n GLY 261 N -1.40 -0.58 3.51 0.00 0.00 -0.81 -4.80 105.19 101.12 2wdx n GLY 261 Ca 0.07 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.47 3.17 0.71 1.61 0.00 -0.72 -4.70 119.30 116.90 2wdx s MET 262 Ca 0.25 -0.45 -0.11 0.00 0.00 0.00 0.00 55.69 55.38 2wdx s MET 262 Cb 0.19 -4.19 0.02 0.00 0.00 0.00 0.00 34.83 30.85 2wdx s MET 262 CO 0.51 -2.01 1.07 0.95 0.00 0.00 0.00 175.02 175.54 2wdx s THR 263 N 5.09 3.80 0.22 10.11 -4.23 -1.26 -4.87 115.64 124.49 2wdx s THR 263 Ca 0.30 0.59 -0.10 0.00 -1.18 0.00 0.00 61.69 61.30 2wdx s THR 263 Cb -0.11 -3.39 0.19 0.00 1.34 0.00 0.00 72.50 70.53 2wdx s THR 263 CO 0.13 -0.77 1.67 -0.08 -0.54 0.00 0.00 174.62 175.04 2wdx h GLU 264 N -0.76 0.16 -0.68 3.99 4.81 -1.99 -1.20 114.58 118.92 2wdx h GLU 264 Ca -0.45 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.81 2wdx h GLU 264 Cb 1.23 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.52 2wdx h GLU 264 CO 0.59 0.11 0.41 0.00 -0.73 0.00 0.00 179.01 179.39 2wdx h ALA 265 N 1.55 0.89 -0.45 2.92 0.00 -1.99 -0.27 119.26 121.91 2wdx h ALA 265 Ca 0.33 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 2wdx h ALA 265 Cb 0.54 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2wdx h ALA 265 CO -0.50 0.15 -0.07 0.00 0.00 0.00 0.00 179.25 178.83 2wdx h ALA 266 N 1.31 1.03 -0.05 0.00 0.00 -1.71 -1.88 119.26 117.97 2wdx h ALA 266 Ca 0.28 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2wdx h ALA 266 Cb 0.08 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2wdx h ALA 266 CO -0.13 0.59 -0.06 0.35 0.00 0.00 0.00 179.25 180.00 2wdx h PHE 267 N 0.72 0.16 -0.86 0.00 3.57 -0.82 -1.34 116.94 118.37 2wdx h PHE 267 Ca 0.13 -0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.61 2wdx h PHE 267 Cb 0.54 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.19 2wdx h PHE 267 CO 0.03 0.60 0.56 0.77 -2.23 0.00 0.00 178.31 178.04 2wdx h SER 268 N -0.32 0.93 0.24 0.41 0.02 -1.08 -1.77 113.55 111.98 2wdx h SER 268 Ca 0.01 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 2wdx h SER 268 Cb 0.58 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 2wdx h SER 268 CO 0.01 0.65 -0.58 -0.09 -1.14 0.00 0.00 176.83 175.68 2wdx h ARG 269 N 1.09 0.35 0.10 3.45 9.65 -1.35 -0.75 114.38 126.92 2wdx h ARG 269 Ca 0.34 -0.23 -0.00 0.00 -1.10 0.00 0.00 59.98 58.99 2wdx h ARG 269 Cb -0.02 0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.59 2wdx h ARG 269 CO -0.11 0.83 -0.06 1.25 2.80 0.00 0.00 179.97 184.68 2wdx h LEU 270 N 0.26 -0.14 -0.63 3.80 5.85 -0.83 -1.31 115.31 122.31 2wdx h LEU 270 Ca -0.00 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 2wdx h LEU 270 Cb 1.09 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 2wdx h LEU 270 CO 0.10 -0.10 -0.14 -0.07 -0.34 0.00 0.00 178.44 177.89 2wdx h LEU 271 N -0.15 0.94 -0.34 2.25 4.07 -1.22 -0.39 115.31 120.46 2wdx h LEU 271 Ca -0.01 -0.31 0.00 0.00 0.08 0.00 0.00 57.88 57.64 2wdx h LEU 271 Cb 0.13 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 2wdx h LEU 271 CO 0.02 1.07 0.23 0.03 -1.08 0.00 0.00 178.44 178.70 2wdx h ARG 272 N 0.83 0.45 -0.57 1.13 3.08 -1.15 -0.25 114.38 117.89 2wdx h ARG 272 Ca 0.13 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.16 2wdx h ARG 272 Cb 0.69 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 2wdx h ARG 272 CO 0.05 0.30 0.38 -0.91 -1.07 0.00 0.00 179.97 178.71 2wdx h ASN 273 N 0.46 0.65 -0.09 7.04 -0.26 -1.01 -2.48 115.58 119.89 2wdx h ASN 273 Ca 0.13 -0.02 -0.07 0.00 -0.56 0.00 0.00 56.30 55.78 2wdx h ASN 273 Cb -0.05 -0.16 0.00 0.00 -1.06 0.00 0.00 38.32 37.05 2wdx h ASN 273 CO -0.03 0.47 -0.23 -0.74 -1.06 0.00 0.00 177.43 175.84 2wdx h HIS 274 N 0.77 0.41 -0.47 1.19 2.76 -0.95 -2.31 115.15 116.54 2wdx h HIS 274 Ca 0.21 -0.16 -0.06 0.00 -2.20 0.00 0.00 60.37 58.16 2wdx h HIS 274 Cb -0.08 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 2wdx h HIS 274 CO -0.04 0.84 0.05 0.78 -1.30 0.00 0.00 177.93 178.27 2wdx h GLY 275 N -0.14 0.85 2.00 5.26 0.00 -1.06 -2.51 103.07 107.47 2wdx h GLY 275 Ca -0.00 -0.59 -0.09 0.00 0.00 0.00 0.00 47.33 46.65 2wdx h GLY 275 CO 0.05 0.54 -0.45 0.83 0.00 0.00 0.00 176.54 177.52 2wdx h GLU 276 N 0.65 0.00 -0.45 4.80 5.08 -1.55 -1.19 114.58 121.93 2wdx h GLU 276 Ca 0.14 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2wdx h GLU 276 Cb 0.42 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2wdx h GLU 276 CO 0.01 0.45 0.24 2.35 -1.00 0.00 0.00 179.01 181.06 2wdx h TRP 277 N 0.00 0.62 -0.61 4.33 7.01 -1.22 -2.58 115.95 123.50 2wdx h TRP 277 Ca -0.00 -0.02 -0.07 0.00 2.11 0.00 0.00 58.89 60.91 2wdx h TRP 277 Cb 0.80 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.64 2wdx h TRP 277 CO 0.00 0.48 0.11 1.88 -2.79 0.00 0.00 178.44 178.12 2wdx h TYR 278 N 0.58 1.03 -0.81 2.65 0.05 -1.01 -0.73 116.97 118.73 2wdx h TYR 278 Ca 0.16 -0.12 0.13 0.00 0.05 0.00 0.00 58.73 58.94 2wdx h TYR 278 Cb 0.07 -0.29 -0.06 0.00 1.01 0.00 0.00 36.73 37.46 2wdx h TYR 278 CO -0.02 0.86 0.53 0.93 -1.05 0.00 0.00 178.16 179.41 2wdx h GLU 279 N 0.92 0.58 0.01 4.88 5.08 -1.07 -2.74 114.58 122.24 2wdx h GLU 279 Ca 0.19 -0.04 -0.29 0.00 -1.00 0.00 0.00 59.36 58.22 2wdx h GLU 279 Cb 0.38 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 2wdx h GLU 279 CO 0.01 0.39 -1.68 0.00 -1.00 0.00 0.00 179.01 176.73 2wdx h ARG 280 N 0.60 0.02 -0.12 2.33 3.08 -1.23 -3.41 114.38 115.65 2wdx h ARG 280 Ca 0.39 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.34 2wdx h ARG 280 Cb 0.67 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 2wdx h ARG 280 CO -0.15 0.58 -0.31 0.09 -1.07 0.00 0.00 179.97 179.11 2wdx n ASN 281 N -3.10 2.08 -0.54 7.04 3.02 -0.30 -4.67 115.26 118.78 2wdx n ASN 281 Ca -0.17 -3.77 0.06 0.00 -0.03 0.00 0.00 54.58 50.68 2wdx n ASN 281 Cb 1.04 -0.56 0.19 0.00 -0.61 0.00 0.00 39.78 39.85 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 -1.13 2.49 -4.91 6.41 7.64 -1.05 -4.71 113.62 118.34 2wdx n SER 282 Ca 0.23 -3.41 -0.27 0.00 1.01 0.00 0.00 58.87 56.44 2wdx n SER 282 Cb 0.80 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 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 -2.74 1.51 0.54 0.23 0.00 -1.26 -0.17 107.32 105.42 2wdx s GLY 283 Ca 0.38 -0.61 0.32 0.00 0.00 0.00 0.00 44.72 44.80 2wdx s GLY 283 CO 0.01 -0.44 2.03 -0.56 0.00 0.00 0.00 173.10 174.14 2wdx h PRO 284 N 0.22 0.00 -0.01 2.90 0.13 -1.93 -2.91 132.00 130.40 2wdx h PRO 284 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2wdx h PRO 284 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2wdx h PRO 284 CO 0.61 0.08 -0.74 -0.25 -0.23 0.00 0.00 178.00 177.47 2wdx n ASP 285 N -3.29 1.28 -4.68 1.44 8.00 -1.26 -4.74 116.55 113.30 2wdx n ASP 285 Ca -0.01 -1.09 -0.44 0.00 0.71 0.00 0.00 54.79 53.97 2wdx n ASP 285 Cb 0.28 0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 42.08 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 -0.98 2.64 0.13 -2.24 2.88 -1.10 -4.89 113.62 110.06 2wdx n SER 286 Ca 0.06 1.18 0.10 0.00 -1.33 0.00 0.00 58.87 58.88 2wdx n SER 286 Cb 0.38 -1.45 0.49 0.00 -0.75 0.00 0.00 64.21 62.88 2wdx n SER 286 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2wdx n PRO 287 N 1.17 0.14 -0.26 -1.46 -0.04 -1.26 -2.20 135.00 131.09 2wdx n PRO 287 Ca 0.08 0.52 0.02 0.00 -0.04 0.00 0.00 63.50 64.08 2wdx n PRO 287 Cb 0.34 -1.86 0.12 0.00 -0.04 0.00 0.00 33.50 32.06 2wdx n PRO 287 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2wdx n TYR 288 N -2.14 0.60 0.13 0.54 4.01 -1.26 -3.90 117.16 115.13 2wdx n TYR 288 Ca 0.00 -0.21 -0.00 0.00 -0.16 0.00 0.00 57.90 57.53 2wdx n TYR 288 Cb 0.12 -0.19 0.28 0.00 -0.31 0.00 0.00 39.34 39.23 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 1.26 1.30 0.00 -0.72 1.35 -1.73 -2.91 112.91 111.47 2wdx h THR 289 Ca 0.00 -1.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.42 2wdx h THR 289 Cb 0.86 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 2wdx h THR 289 CO 0.13 0.42 0.00 0.61 -0.25 0.00 0.00 175.52 176.43 2wdx n GLY 290 N -0.29 -1.04 3.88 5.82 0.00 -1.25 -3.48 105.19 108.83 2wdx n GLY 290 Ca -0.02 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.63 4.39 -0.03 0.99 0.20 -1.10 -1.05 118.68 119.45 2wdx s LEU 291 Ca 0.19 0.55 -0.07 0.00 0.69 0.00 0.00 54.13 55.50 2wdx s LEU 291 Cb 0.15 -2.39 0.01 0.00 -0.43 0.00 0.00 46.19 43.52 2wdx s LEU 291 CO 0.34 0.33 0.16 0.86 -0.29 0.00 0.00 176.35 177.75 2wdx s TRP 292 N -1.15 -0.09 0.14 5.38 -0.11 0.10 -4.93 118.94 118.28 2wdx s TRP 292 Ca 0.21 0.20 -0.24 0.00 1.22 0.00 0.00 56.10 57.49 2wdx s TRP 292 Cb -0.13 0.02 0.07 0.00 -1.50 0.00 0.00 33.47 31.92 2wdx s TRP 292 CO 0.11 -0.18 0.71 -1.54 -4.62 0.00 0.00 176.95 171.43 2wdx s SER 293 N -0.55 -0.45 -0.03 5.86 1.04 -1.26 0.11 113.70 118.43 2wdx s SER 293 Ca -0.06 -0.12 -0.01 0.00 0.48 0.00 0.00 55.95 56.24 2wdx s SER 293 Cb -0.04 0.56 0.03 0.00 0.10 0.00 0.00 66.02 66.67 2wdx s SER 293 CO 0.01 -0.94 0.04 0.00 0.98 0.00 0.00 173.24 173.33 2wdx s GLN 294 N -3.59 -0.00 -0.63 4.02 -2.07 -0.89 -1.40 119.66 115.11 2wdx s GLN 294 Ca 0.04 0.24 -0.27 0.00 -1.82 0.00 0.00 55.36 53.55 2wdx s GLN 294 Cb -0.02 -0.37 0.03 0.00 -1.09 0.00 0.00 33.01 31.56 2wdx s GLN 294 CO -0.08 -0.22 1.18 -1.17 -1.32 0.00 0.00 175.29 173.68 2wdx s LEU 295 N 1.43 3.47 -0.52 2.60 0.20 -0.36 -3.47 118.68 122.04 2wdx s LEU 295 Ca -0.04 -0.15 -0.17 0.00 0.69 0.00 0.00 54.13 54.46 2wdx s LEU 295 Cb -0.13 -2.92 0.09 0.00 -0.43 0.00 0.00 46.19 42.80 2wdx s LEU 295 CO -0.03 -1.56 0.53 -0.04 -0.29 0.00 0.00 176.35 174.96 2wdx s MET 296 N 5.05 3.02 -0.92 1.98 -1.94 0.11 -1.01 119.30 125.60 2wdx s MET 296 Ca 0.38 -1.35 -0.09 0.00 -1.71 0.00 0.00 55.69 52.92 2wdx s MET 296 Cb -0.08 -4.19 0.23 0.00 2.01 0.00 0.00 34.83 32.79 2wdx s MET 296 CO 0.21 -1.24 0.85 0.42 -0.01 0.00 0.00 175.02 175.26 2wdx s ILE 297 N 2.02 5.36 0.25 2.53 1.01 0.21 -0.85 121.20 131.72 2wdx s ILE 297 Ca 0.07 -3.07 0.09 0.00 0.00 0.00 0.00 60.65 57.74 2wdx s ILE 297 Cb -0.25 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 37.88 2wdx s ILE 297 CO 0.07 -1.08 -0.14 -0.83 0.00 0.00 0.00 174.94 172.96 2wdx s GLY 298 N 1.36 1.68 0.24 6.18 0.00 -1.00 -0.71 107.32 115.07 2wdx s GLY 298 Ca 0.24 -1.80 -0.27 0.00 0.00 0.00 0.00 44.72 42.89 2wdx s GLY 298 CO -0.08 -1.85 0.56 -2.01 0.00 0.00 0.00 173.10 169.71 2wdx n ASN 299 N -0.51 -0.98 -4.53 1.64 2.85 -0.02 -3.82 115.26 109.89 2wdx n ASN 299 Ca -0.06 1.10 -0.42 0.00 -0.11 0.00 0.00 54.58 55.09 2wdx n ASN 299 Cb 0.61 -1.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.60 2wdx n ASN 299 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 2wdx s GLU 300 N -1.10 3.24 -0.28 1.20 1.03 -1.26 -0.95 118.70 120.58 2wdx s GLU 300 Ca 0.63 -0.30 -0.08 0.00 0.03 0.00 0.00 54.97 55.25 2wdx s GLU 300 Cb -0.86 -4.15 -0.01 0.00 -0.80 0.00 0.00 34.13 28.31 2wdx s GLU 300 CO 0.57 -1.91 0.10 0.08 -1.33 0.00 0.00 175.26 172.78 2wdx s VAL 301 N 4.98 4.36 0.37 1.83 1.01 -1.26 -4.97 120.40 126.72 2wdx s VAL 301 Ca 0.33 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 62.01 2wdx s VAL 301 Cb -0.11 -3.14 0.28 0.00 0.00 0.00 0.00 36.38 33.41 2wdx s VAL 301 CO 0.16 0.20 1.99 1.55 0.00 0.00 0.00 175.10 179.00 2wdx h PRO 302 N 8.28 0.73 0.00 2.72 0.13 -1.96 -2.51 132.00 139.39 2wdx h PRO 302 Ca -0.35 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2wdx h PRO 302 Cb 1.16 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2wdx h PRO 302 CO 0.59 0.48 0.00 0.41 -0.23 0.00 0.00 178.00 179.26 2wdx n GLY 303 N -1.45 -1.24 3.61 1.56 0.00 -1.26 -4.84 105.19 101.56 2wdx n GLY 303 Ca 0.08 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 2wdx n GLY 303 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wdx s MET 304 N -2.69 2.72 0.00 1.61 -1.94 -0.95 -4.99 119.30 113.06 2wdx s MET 304 Ca 0.22 -0.59 0.21 0.00 -1.71 0.00 0.00 55.69 53.82 2wdx s MET 304 Cb 0.18 -2.59 0.55 0.00 2.01 0.00 0.00 34.83 34.98 2wdx s MET 304 CO 0.43 0.65 1.47 0.41 -0.01 0.00 0.00 175.02 177.97 2wdx n GLY 305 N 1.95 1.89 0.00 -0.03 0.00 -1.26 -4.13 105.19 103.62 2wdx n GLY 305 Ca -0.17 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 1.38 -0.34 -0.43 1.61 4.07 -1.26 -5.06 120.64 120.62 2wdx n GLU 306 Ca 0.21 -0.29 -0.07 0.00 -0.06 0.00 0.00 57.16 56.95 2wdx n GLU 306 Cb 0.55 -0.77 0.05 0.00 -0.06 0.00 0.00 31.44 31.21 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 -0.03 -0.23 0.00 4.31 3.41 -1.26 -4.99 113.62 114.83 2wdx n SER 307 Ca 0.00 -1.03 0.00 0.00 -0.26 0.00 0.00 58.87 57.58 2wdx n SER 307 Cb 0.09 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 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 2.44 -2.00 3.15 5.00 0.00 -0.13 -4.76 105.19 108.90 2wdx n GLY 308 Ca 0.04 -1.49 -0.38 0.00 0.00 0.00 0.00 46.02 44.19 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 0.00 3.51 0.07 1.61 5.99 -1.25 -2.37 117.98 125.54 2wdx s PHE 309 Ca 0.00 -2.31 -0.10 0.00 0.00 0.00 0.00 56.93 54.53 2wdx s PHE 309 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 43.02 39.70 2wdx s PHE 309 CO 0.00 -0.95 0.21 0.00 -0.00 0.00 0.00 175.22 174.47 2wdx s MET 310 N 0.92 0.79 -0.41 10.12 0.23 -0.03 -1.45 119.30 129.46 2wdx s MET 310 Ca 0.10 -0.79 0.03 0.00 -1.03 0.00 0.00 55.69 54.00 2wdx s MET 310 Cb -0.23 0.32 0.16 0.00 -1.53 0.00 0.00 34.83 33.55 2wdx s MET 310 CO -0.03 -0.24 0.30 1.41 -2.03 0.00 0.00 175.02 174.43 2wdx s MET 311 N -3.24 0.91 0.20 3.16 1.75 0.15 0.06 119.30 122.28 2wdx s MET 311 Ca 0.00 -1.93 -0.30 0.00 -1.25 0.00 0.00 55.69 52.20 2wdx s MET 311 Cb 0.02 -1.55 -0.09 0.00 2.84 0.00 0.00 34.83 36.05 2wdx s MET 311 CO -0.08 -1.31 1.35 -1.25 -0.65 0.00 0.00 175.02 173.08 2wdx s PRO 312 N 0.30 4.35 0.02 4.11 0.04 -1.23 -1.80 135.00 140.80 2wdx s PRO 312 Ca 0.27 2.11 0.05 0.00 0.04 0.00 0.00 61.00 63.47 2wdx s PRO 312 Cb -0.07 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 2wdx s PRO 312 CO -0.12 -0.32 -0.15 0.42 0.04 0.00 0.00 177.00 176.87 2wdx s ILE 313 N 0.25 1.20 -0.02 0.56 1.01 0.20 -2.09 121.20 122.31 2wdx s ILE 313 Ca 0.58 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 60.36 2wdx s ILE 313 Cb -0.38 -1.05 0.00 0.00 0.01 0.00 0.00 42.46 41.05 2wdx s ILE 313 CO 0.38 0.14 -0.06 0.00 0.00 0.00 0.00 174.94 175.39 2wdx s GLN 314 N -0.87 0.65 0.05 2.79 -2.07 0.12 -1.54 119.66 118.79 2wdx s GLN 314 Ca 0.04 -0.22 0.08 0.00 -1.82 0.00 0.00 55.36 53.44 2wdx s GLN 314 Cb -0.07 -0.63 -0.03 0.00 -1.09 0.00 0.00 33.01 31.19 2wdx s GLN 314 CO 0.01 0.09 -0.24 0.54 -1.32 0.00 0.00 175.29 174.37 2wdx s VAL 315 N 0.11 1.92 -0.18 3.63 0.11 -0.19 0.02 120.40 125.82 2wdx s VAL 315 Ca -0.01 -1.32 -0.29 0.00 -2.93 0.00 0.00 61.98 57.43 2wdx s VAL 315 Cb -0.06 -1.66 -0.04 0.00 -1.53 0.00 0.00 36.38 33.09 2wdx s VAL 315 CO -0.00 0.27 1.88 -0.62 -3.33 0.00 0.00 175.10 173.30 2wdx s ASP 316 N -1.26 6.07 0.00 3.54 3.68 -0.21 -0.91 116.67 127.58 2wdx s ASP 316 Ca 0.10 1.88 0.07 0.00 2.13 0.00 0.00 52.55 56.73 2wdx s ASP 316 Cb -0.09 -2.52 0.22 0.00 -1.45 0.00 0.00 42.92 39.07 2wdx s ASP 316 CO 0.02 -1.47 1.18 0.00 0.13 0.00 0.00 175.17 175.03 2wdx n ALA 317 N 9.41 2.46 -0.02 3.66 0.00 -0.99 -4.26 120.51 130.77 2wdx n ALA 317 Ca 0.23 -0.42 -0.16 0.00 0.00 0.00 0.00 53.44 53.10 2wdx n ALA 317 Cb 0.44 -0.98 -0.12 0.00 0.00 0.00 0.00 19.45 18.79 2wdx n ALA 317 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdx h THR 318 N 1.39 1.58 -3.46 0.00 1.03 -1.91 -3.44 112.91 108.10 2wdx h THR 318 Ca 0.00 -2.07 -0.53 0.00 -0.01 0.00 0.00 66.41 63.81 2wdx h THR 318 Cb 0.32 2.90 0.06 0.00 -1.07 0.00 0.00 68.15 70.35 2wdx h THR 318 CO 0.00 0.56 0.73 -0.13 -0.01 0.00 0.00 175.52 176.67 2wdx s ARG 319 N -2.93 4.29 0.00 0.00 0.52 -1.26 -4.86 118.95 114.71 2wdx s ARG 319 Ca -0.16 2.26 0.04 0.00 -0.52 0.00 0.00 55.73 57.35 2wdx s ARG 319 Cb 0.00 -3.11 0.25 0.00 0.52 0.00 0.00 34.95 32.61 2wdx s ARG 319 CO 0.75 -0.37 0.68 -0.35 0.02 0.00 0.00 175.30 176.03 2wdx n PRO 320 N 2.14 0.15 -0.09 3.54 -0.04 -1.26 -1.93 135.00 137.51 2wdx n PRO 320 Ca 0.06 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.62 2wdx n PRO 320 Cb 0.41 -1.43 0.14 0.00 -0.04 0.00 0.00 33.50 32.58 2wdx n PRO 320 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2wdx n ASP 321 N -0.93 2.36 -0.16 3.54 5.68 -1.26 -4.71 116.55 121.08 2wdx n ASP 321 Ca 0.03 -3.10 0.02 0.00 -0.50 0.00 0.00 54.79 51.23 2wdx n ASP 321 Cb 0.01 -0.43 0.30 0.00 -1.14 0.00 0.00 41.12 39.86 2wdx n ASP 321 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wdx h ALA 322 N 0.05 1.54 -0.03 2.12 0.00 -1.66 -3.00 119.26 118.28 2wdx h ALA 322 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2wdx h ALA 322 Cb 1.01 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2wdx h ALA 322 CO 0.00 0.42 -0.27 -0.09 0.00 0.00 0.00 179.25 179.32 2wdx h ARG 323 N 0.89 0.23 -0.92 0.00 2.43 -1.87 -2.31 114.38 112.83 2wdx h ARG 323 Ca 0.25 -0.21 0.26 0.00 -0.81 0.00 0.00 59.98 59.47 2wdx h ARG 323 Cb -0.08 0.05 -0.16 0.00 -0.42 0.00 0.00 29.97 29.36 2wdx h ARG 323 CO -0.06 0.89 0.13 -0.09 -1.51 0.00 0.00 179.97 179.33 2wdx h ARG 324 N -0.35 0.08 -0.10 0.20 1.12 -1.91 0.15 114.38 113.57 2wdx h ARG 324 Ca -0.03 -0.00 -0.23 0.00 -1.11 0.00 0.00 59.98 58.61 2wdx h ARG 324 Cb 0.96 -0.02 0.01 0.00 -0.01 0.00 0.00 29.97 30.92 2wdx h ARG 324 CO 0.05 0.05 -0.86 -0.07 -3.11 0.00 0.00 179.97 176.04 2wdx h LEU 325 N 0.08 0.90 -0.12 3.80 3.38 -1.43 -1.22 115.31 120.70 2wdx h LEU 325 Ca 0.58 -0.63 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2wdx h LEU 325 Cb 1.20 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2wdx h LEU 325 CO -0.80 1.43 0.06 0.25 0.09 0.00 0.00 178.44 179.47 2wdx h LEU 326 N 0.48 0.16 0.07 1.67 6.46 -0.77 -0.71 115.31 122.67 2wdx h LEU 326 Ca -0.07 -0.12 0.02 0.00 -0.12 0.00 0.00 57.88 57.58 2wdx h LEU 326 Cb 1.49 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 41.34 2wdx h LEU 326 CO 0.17 0.24 -0.25 0.44 -0.62 0.00 0.00 178.44 178.43 2wdx h ASP 327 N 0.07 -0.71 -0.54 1.25 3.32 -0.99 -1.21 116.42 117.61 2wdx h ASP 327 Ca 0.04 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 2wdx h ASP 327 Cb 0.12 0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 2wdx h ASP 327 CO -0.01 -0.33 0.25 0.00 -1.72 0.00 0.00 179.24 177.44 2wdx h ALA 328 N 0.36 0.70 -0.13 3.45 0.00 -1.17 0.17 119.26 122.65 2wdx h ALA 328 Ca 0.04 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2wdx h ALA 328 Cb 0.47 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2wdx h ALA 328 CO -0.17 0.27 0.04 1.25 0.00 0.00 0.00 179.25 180.64 2wdx h HIS 329 N 0.73 0.08 0.05 0.00 -0.00 -1.05 -0.21 115.15 114.76 2wdx h HIS 329 Ca 0.18 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.56 2wdx h HIS 329 Cb 0.13 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.53 2wdx h HIS 329 CO -0.00 0.04 -0.03 0.82 -0.00 0.00 0.00 177.93 178.76 2wdx h ILE 330 N 0.11 1.02 -0.60 6.26 2.04 -0.95 -1.51 117.51 123.87 2wdx h ILE 330 Ca 0.05 -0.22 0.12 0.00 1.00 0.00 0.00 64.86 65.81 2wdx h ILE 330 Cb 0.03 1.16 -0.11 0.00 -0.74 0.00 0.00 36.82 37.16 2wdx h ILE 330 CO -0.05 0.06 -0.10 -0.08 0.00 0.00 0.00 178.15 177.98 2wdx h GLU 331 N -0.17 0.04 -0.56 2.37 4.81 -0.56 -1.00 114.58 119.51 2wdx h GLU 331 Ca -0.01 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2wdx h GLU 331 Cb 0.15 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 2wdx h GLU 331 CO 0.01 0.02 0.30 0.00 -0.73 0.00 0.00 179.01 178.62 2wdx h ALA 332 N 1.58 0.72 -0.05 2.92 0.00 -0.78 -2.17 119.26 121.48 2wdx h ALA 332 Ca 0.30 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 2wdx h ALA 332 Cb 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2wdx h ALA 332 CO -0.58 0.24 -0.49 0.28 0.00 0.00 0.00 179.25 178.70 2wdx h VAL 333 N 0.75 1.35 -0.02 0.00 2.07 -0.36 -3.29 116.25 116.75 2wdx h VAL 333 Ca 0.20 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 66.00 2wdx h VAL 333 Cb 0.06 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2wdx h VAL 333 CO -0.03 0.50 -0.11 2.30 0.02 0.00 0.00 177.57 180.25 2wdx n ILE 334 N -3.95 0.00 -1.44 4.57 -5.35 -0.47 -4.53 119.36 108.19 2wdx n ILE 334 Ca -0.02 -0.44 -0.49 0.00 -0.27 0.00 0.00 62.75 61.53 2wdx n ILE 334 Cb 0.53 1.41 -0.08 0.00 -1.74 0.00 0.00 39.64 39.75 2wdx n ILE 334 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2wdx n ASP 335 N 0.92 1.72 0.00 7.28 2.03 -0.83 -0.78 116.55 126.90 2wdx n ASP 335 Ca 0.12 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.75 2wdx n ASP 335 Cb 0.52 -1.20 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 2wdx n ASP 335 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wdx n GLY 336 N 6.62 0.60 2.89 0.27 0.00 -1.26 -4.89 105.19 109.41 2wdx n GLY 336 Ca 0.46 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.00 2.21 0.20 1.61 1.01 0.04 -4.82 120.40 118.65 2wdx s VAL 337 Ca 0.00 -3.02 -0.09 0.00 0.00 0.00 0.00 61.98 58.87 2wdx s VAL 337 Cb 0.00 -2.55 0.12 0.00 0.00 0.00 0.00 36.38 33.95 2wdx s VAL 337 CO 0.00 -0.81 1.72 -0.65 0.00 0.00 0.00 175.10 175.36 2wdx h PRO 338 N 6.66 1.12 -0.77 2.72 0.11 -1.93 -3.20 132.00 136.70 2wdx h PRO 338 Ca -0.06 -0.26 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2wdx h PRO 338 Cb 0.91 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.87 2wdx h PRO 338 CO 0.62 0.98 0.00 -2.30 -0.21 0.00 0.00 178.00 177.09 2wdx n PRO 339 N -4.26 0.69 -3.48 1.05 -0.02 -1.26 -4.77 135.00 122.95 2wdx n PRO 339 Ca 0.05 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.15 2wdx n PRO 339 Cb 0.24 -1.32 -0.10 0.00 -0.02 0.00 0.00 33.50 32.30 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 -0.82 3.54 -0.39 3.55 0.00 -1.21 -2.73 121.76 123.70 2wdx s ALA 340 Ca 0.00 -0.97 -0.16 0.00 0.00 0.00 0.00 51.96 50.82 2wdx s ALA 340 Cb 0.00 -2.62 0.01 0.00 0.00 0.00 0.00 23.12 20.51 2wdx s ALA 340 CO 0.00 -0.65 0.40 -2.00 0.00 0.00 0.00 175.76 173.51 2wdx s GLU 341 N 1.93 3.27 -0.31 0.00 2.56 0.18 -4.95 118.70 121.37 2wdx s GLU 341 Ca 0.11 -0.64 -0.12 0.00 0.00 0.00 0.00 54.97 54.33 2wdx s GLU 341 Cb -0.16 -3.90 -0.03 0.00 2.00 0.00 0.00 34.13 32.03 2wdx s GLU 341 CO 0.11 -0.72 0.21 0.54 -0.56 0.00 0.00 175.26 174.83 2wdx s VAL 342 N 2.07 5.23 0.72 3.70 0.11 -1.26 -1.81 120.40 129.16 2wdx s VAL 342 Ca 0.12 -0.06 -0.03 0.00 -2.93 0.00 0.00 61.98 59.08 2wdx s VAL 342 Cb -0.17 -3.59 0.11 0.00 -1.53 0.00 0.00 36.38 31.20 2wdx s VAL 342 CO 0.13 0.12 1.00 -2.16 -3.33 0.00 0.00 175.10 170.85 2wdx s PRO 343 N 1.73 1.79 0.05 1.54 0.04 -1.26 -5.04 135.00 133.84 2wdx s PRO 343 Ca 0.06 -0.83 -0.30 0.00 0.04 0.00 0.00 61.00 59.97 2wdx s PRO 343 Cb -0.17 -2.28 -0.05 0.00 0.04 0.00 0.00 34.50 32.05 2wdx s PRO 343 CO 0.10 -1.40 1.19 -1.21 0.04 0.00 0.00 177.00 175.73 2wdx s GLU 344 N -5.18 4.43 0.42 4.56 0.41 -1.26 -4.96 118.70 117.12 2wdx s GLU 344 Ca 0.65 1.75 -0.26 0.00 -0.41 0.00 0.00 54.97 56.70 2wdx s GLU 344 Cb -0.07 -3.38 -0.09 0.00 -1.78 0.00 0.00 34.13 28.82 2wdx s GLU 344 CO 0.44 -0.27 1.33 -1.25 -0.49 0.00 0.00 175.26 175.02 2wdx s PRO 345 N 1.19 3.89 -0.12 0.39 0.04 -1.26 -4.93 135.00 134.19 2wdx s PRO 345 Ca 0.58 2.21 -0.03 0.00 0.04 0.00 0.00 61.00 63.80 2wdx s PRO 345 Cb -0.29 -2.72 -0.03 0.00 0.04 0.00 0.00 34.50 31.50 2wdx s PRO 345 CO 0.28 -0.57 -0.02 0.42 0.04 0.00 0.00 177.00 177.15 2wdx s ILE 346 N -1.26 4.07 0.11 0.56 -1.09 -0.58 -4.92 121.20 118.10 2wdx s ILE 346 Ca 0.58 -0.31 -0.29 0.00 -2.23 0.00 0.00 60.65 58.40 2wdx s ILE 346 Cb -0.39 -2.75 -0.06 0.00 -1.58 0.00 0.00 42.46 37.68 2wdx s ILE 346 CO 0.50 0.54 0.91 -1.61 -1.23 0.00 0.00 174.94 174.05 2wdx s GLU 347 N -0.21 4.67 -0.00 2.79 2.02 -1.26 -0.13 118.70 126.58 2wdx s GLU 347 Ca 0.04 1.36 0.05 0.00 0.02 0.00 0.00 54.97 56.45 2wdx s GLU 347 Cb -0.13 -3.36 -0.01 0.00 0.10 0.00 0.00 34.13 30.73 2wdx s GLU 347 CO 0.02 0.28 -0.15 -0.65 0.02 0.00 0.00 175.26 174.77 2wdx s GLN 348 N -0.19 1.19 0.26 1.61 -0.21 0.15 -4.93 119.66 117.54 2wdx s GLN 348 Ca 0.44 -0.60 -0.25 0.00 0.02 0.00 0.00 55.36 54.97 2wdx s GLN 348 Cb -0.23 -1.17 -0.09 0.00 1.00 0.00 0.00 33.01 32.52 2wdx s GLN 348 CO 0.29 0.32 0.87 1.03 -2.12 0.00 0.00 175.29 175.67 2wdx s ARG 349 N -0.52 4.57 -0.34 2.91 0.52 -1.26 0.19 118.95 125.02 2wdx s ARG 349 Ca 0.05 1.24 -0.42 0.00 -0.52 0.00 0.00 55.73 56.08 2wdx s ARG 349 Cb -0.06 -2.99 -0.17 0.00 0.52 0.00 0.00 34.95 32.25 2wdx s ARG 349 CO -0.00 0.40 1.69 1.87 0.02 0.00 0.00 175.30 179.28 2wdx n TRP 350 N 0.95 1.95 -1.79 -0.53 -0.00 -0.30 -1.17 117.44 116.56 2wdx n TRP 350 Ca -0.01 0.72 -0.19 0.00 -0.00 0.00 0.00 57.50 58.02 2wdx n TRP 350 Cb 0.49 -2.39 -0.06 0.00 -0.00 0.00 0.00 31.31 29.35 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 4.90 -1.51 -0.10 5.87 4.77 -1.26 -4.86 117.00 124.80 2wdx n LEU 351 Ca 0.28 0.36 0.18 0.00 -0.03 0.00 0.00 56.01 56.79 2wdx n LEU 351 Cb 0.07 -2.72 0.58 0.00 -2.33 0.00 0.00 43.42 39.03 2wdx n LEU 351 CO 0.83 -0.80 1.20 0.00 -1.33 0.00 0.00 177.39 177.30 2wdx h ALA 352 N 0.38 2.28 -0.15 -1.18 0.00 -1.53 -3.21 119.26 115.85 2wdx h ALA 352 Ca -0.41 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.24 2wdx h ALA 352 Cb 1.28 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.89 2wdx h ALA 352 CO 0.57 -0.47 -0.52 0.45 0.00 0.00 0.00 179.25 179.28 2wdx n SER 353 N -4.43 -2.51 -4.59 0.00 2.88 -1.26 -5.07 113.62 98.63 2wdx n SER 353 Ca 0.13 -3.38 -0.42 0.00 -1.33 0.00 0.00 58.87 53.86 2wdx n SER 353 Cb 0.57 1.68 0.00 0.00 -0.75 0.00 0.00 64.21 65.72 2wdx n SER 353 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2wdx n THR 354 N 1.25 2.22 -1.66 2.46 5.66 -1.22 -4.87 114.28 118.13 2wdx n THR 354 Ca 0.09 -0.50 -0.49 0.00 -3.05 0.00 0.00 64.05 60.10 2wdx n THR 354 Cb 0.64 -1.06 -0.05 0.00 -1.55 0.00 0.00 70.33 68.32 2wdx n THR 354 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2wdx n PRO 355 N 0.38 1.89 -3.54 1.09 -0.04 -1.26 -4.96 135.00 128.56 2wdx n PRO 355 Ca 0.09 0.69 -0.27 0.00 -0.04 0.00 0.00 63.50 63.97 2wdx n PRO 355 Cb 0.37 -2.45 -0.09 0.00 -0.04 0.00 0.00 33.50 31.29 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 3.59 4.62 3.84 0.55 0.00 -1.26 -4.63 105.19 111.91 2wdx n GLY 356 Ca 0.20 -2.73 -0.32 0.00 0.00 0.00 0.00 46.02 43.16 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 -2.23 3.94 0.51 1.61 1.81 -1.26 -5.08 118.95 118.25 2wdx s ARG 357 Ca 0.36 0.92 -0.17 0.00 -1.72 0.00 0.00 55.73 55.12 2wdx s ARG 357 Cb 0.10 -2.16 -0.08 0.00 -0.45 0.00 0.00 34.95 32.36 2wdx s ARG 357 CO -0.05 -0.25 0.98 0.20 -0.68 0.00 0.00 175.30 175.51 2wdx s GLY 358 N -3.05 2.11 1.06 -3.53 0.00 -1.26 -4.96 107.32 97.69 2wdx s GLY 358 Ca 0.58 0.21 -0.16 0.00 0.00 0.00 0.00 44.72 45.36 2wdx s GLY 358 CO 0.31 0.49 1.15 -0.32 0.00 0.00 0.00 173.10 174.73 2wdx s GLY 359 N -2.95 1.61 -0.22 0.20 0.00 -1.26 -4.72 107.32 99.98 2wdx s GLY 359 Ca 0.59 -0.82 -0.19 0.00 0.00 0.00 0.00 44.72 44.30 2wdx s GLY 359 CO 0.29 -0.07 0.33 -2.13 0.00 0.00 0.00 173.10 171.52 2wdx n ARG 360 N -4.28 -1.13 0.00 2.90 0.63 -1.26 -5.02 116.66 108.51 2wdx n ARG 360 Ca 0.11 1.12 0.00 0.00 -0.92 0.00 0.00 57.85 58.16 2wdx n ARG 360 Cb 0.59 -1.59 0.00 0.00 0.45 0.00 0.00 32.46 31.91 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 0.56 -0.92 3.79 5.14 0.00 0.78 -4.88 105.19 109.65 2wdx n GLY 361 Ca -0.04 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.18 2wdx n GLY 361 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wdx s PRO 362 N 0.00 -0.16 0.07 1.61 0.05 -1.26 -3.99 135.00 131.31 2wdx s PRO 362 Ca 0.00 -0.27 -0.30 0.00 0.05 0.00 0.00 61.00 60.48 2wdx s PRO 362 Cb 0.00 -1.74 -0.05 0.00 0.05 0.00 0.00 34.50 32.76 2wdx s PRO 362 CO 0.00 -2.97 0.95 0.00 0.05 0.00 0.00 177.00 175.03 2wdx s ALA 363 N -3.52 3.23 0.08 8.56 0.00 -1.22 -3.24 121.76 125.64 2wdx s ALA 363 Ca 0.73 0.54 -0.13 0.00 0.00 0.00 0.00 51.96 53.10 2wdx s ALA 363 Cb -0.06 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.80 2wdx s ALA 363 CO 0.54 -0.09 0.29 -1.54 0.00 0.00 0.00 175.76 174.96 2wdx s SER 364 N 0.35 -0.07 -0.06 0.00 1.04 -1.26 -1.37 113.70 112.33 2wdx s SER 364 Ca 0.48 -0.38 0.02 0.00 0.48 0.00 0.00 55.95 56.54 2wdx s SER 364 Cb -0.22 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.30 2wdx s SER 364 CO 0.29 -0.72 -0.10 -0.75 0.98 0.00 0.00 173.24 172.93 2wdx s LYS 365 N -3.33 1.51 -0.07 4.02 2.47 -0.29 -4.90 119.74 119.14 2wdx s LYS 365 Ca 0.01 -0.34 0.02 0.00 -1.56 0.00 0.00 55.97 54.10 2wdx s LYS 365 Cb 0.02 -1.29 0.01 0.00 -1.46 0.00 0.00 37.83 35.11 2wdx s LYS 365 CO -0.08 -0.01 -0.12 0.99 0.16 0.00 0.00 175.35 176.28 2wdx s THR 366 N 0.77 1.15 0.24 3.43 2.01 -1.26 -0.88 115.64 121.11 2wdx s THR 366 Ca -0.13 -0.48 0.09 0.00 0.31 0.00 0.00 61.69 61.48 2wdx s THR 366 Cb -0.15 -1.06 -0.04 0.00 0.01 0.00 0.00 72.50 71.25 2wdx s THR 366 CO 0.02 0.36 0.03 -0.54 -0.69 0.00 0.00 174.62 173.80 2wdx s LYS 367 N 0.76 2.42 0.04 4.92 1.02 -0.73 -4.80 119.74 123.37 2wdx s LYS 367 Ca -0.13 -1.29 -0.05 0.00 0.02 0.00 0.00 55.97 54.52 2wdx s LYS 367 Cb -0.16 -2.27 -0.01 0.00 -0.52 0.00 0.00 37.83 34.88 2wdx s LYS 367 CO 0.03 0.39 0.09 0.00 -0.92 0.00 0.00 175.35 174.94 2wdx s ALA 368 N -2.17 -0.04 -0.03 5.17 0.00 -1.26 -0.63 121.76 122.80 2wdx s ALA 368 Ca 0.31 -0.59 -0.27 0.00 0.00 0.00 0.00 51.96 51.41 2wdx s ALA 368 Cb -0.07 0.26 0.06 0.00 0.00 0.00 0.00 23.12 23.36 2wdx s ALA 368 CO 0.20 -0.33 0.59 0.20 0.00 0.00 0.00 175.76 176.43 2wdx s GLY 369 N -2.18 -0.48 0.25 0.00 0.00 -0.71 -4.69 107.32 99.51 2wdx s GLY 369 Ca -0.04 1.05 -0.08 0.00 0.00 0.00 0.00 44.72 45.65 2wdx s GLY 369 CO -0.05 0.73 0.55 -0.19 0.00 0.00 0.00 173.10 174.14 2wdx s TYR 370 N -1.31 3.44 -0.07 1.90 2.02 -0.26 -1.19 117.35 121.89 2wdx s TYR 370 Ca -0.11 0.79 0.03 0.00 -0.37 0.00 0.00 57.07 57.41 2wdx s TYR 370 Cb -0.01 -2.20 0.01 0.00 -0.40 0.00 0.00 41.96 39.35 2wdx s TYR 370 CO 0.08 0.23 -0.14 -0.51 -1.57 0.00 0.00 175.55 173.65 2wdx s LEU 371 N -3.07 1.72 -0.03 -1.29 1.43 -0.68 -2.50 118.68 114.26 2wdx s LEU 371 Ca 0.46 -0.33 0.22 0.00 -1.03 0.00 0.00 54.13 53.45 2wdx s LEU 371 Cb -0.11 -0.90 -0.32 0.00 0.03 0.00 0.00 46.19 44.89 2wdx s LEU 371 CO 0.24 0.06 0.53 0.54 0.23 0.00 0.00 176.35 177.95 2wdx n ARG 372 N 3.71 0.58 -4.05 1.70 1.74 0.17 -1.03 116.66 119.48 2wdx n ARG 372 Ca -0.22 -0.17 -0.10 0.00 -0.77 0.00 0.00 57.85 56.59 2wdx n ARG 372 Cb 0.52 -1.51 -0.08 0.00 -1.02 0.00 0.00 32.46 30.37 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 -3.44 1.12 0.87 5.56 1.02 -1.16 -4.68 119.74 119.03 2wdx s LYS 373 Ca -0.06 -1.32 -0.12 0.00 0.02 0.00 0.00 55.97 54.49 2wdx s LYS 373 Cb 0.14 0.33 0.08 0.00 -0.52 0.00 0.00 37.83 37.86 2wdx s LYS 373 CO 0.90 -0.39 0.92 2.89 -0.92 0.00 0.00 175.35 178.75 2wdx n ARG 374 N -0.20 -0.13 -1.72 1.68 1.85 -1.26 -4.85 116.66 112.04 2wdx n ARG 374 Ca -0.05 0.03 -0.39 0.00 -1.00 0.00 0.00 57.85 56.43 2wdx n ARG 374 Cb 0.63 -2.22 0.03 0.00 -1.05 0.00 0.00 32.46 29.86 2wdx n ARG 374 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2wdx n LEU 375 N -2.81 4.79 -4.85 2.89 4.77 -1.26 -4.96 117.00 115.57 2wdx n LEU 375 Ca 0.11 1.02 -0.29 0.00 -0.03 0.00 0.00 56.01 56.82 2wdx n LEU 375 Cb 0.52 -1.53 0.11 0.00 -2.33 0.00 0.00 43.42 40.18 2wdx n LEU 375 CO 0.49 -0.70 0.76 0.42 -1.33 0.00 0.00 177.39 177.03 2wdx s THR 376 N -1.27 2.00 0.25 -5.08 -4.23 -1.26 -4.73 115.64 101.32 2wdx s THR 376 Ca 0.67 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 61.14 2wdx s THR 376 Cb -0.45 -2.89 0.25 0.00 1.34 0.00 0.00 72.50 70.75 2wdx s THR 376 CO 0.53 0.00 1.89 0.44 -0.54 0.00 0.00 174.62 176.93 2wdx h ASP 377 N -1.26 1.02 -0.68 3.99 3.32 -1.98 0.47 116.42 121.29 2wdx h ASP 377 Ca -0.48 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.50 2wdx h ASP 377 Cb 1.33 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.63 2wdx h ASP 377 CO 0.64 0.68 0.15 0.03 -1.72 0.00 0.00 179.24 179.01 2wdx h ARG 378 N 1.17 1.10 -0.70 3.56 3.08 -2.00 -1.47 114.38 119.13 2wdx h ARG 378 Ca 0.40 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 60.10 2wdx h ARG 378 Cb 0.07 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 2wdx h ARG 378 CO -0.14 0.99 0.16 1.96 -1.07 0.00 0.00 179.97 181.87 2wdx h GLN 379 N 1.03 1.12 -0.61 0.04 4.20 -1.52 -2.80 115.11 116.58 2wdx h GLN 379 Ca 0.21 -0.27 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 2wdx h GLN 379 Cb 0.40 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 2wdx h GLN 379 CO 0.01 0.99 0.15 0.82 -0.67 0.00 0.00 178.83 180.13 2wdx h ILE 380 N 1.06 1.24 -0.54 2.54 2.04 0.16 -2.13 117.51 121.88 2wdx h ILE 380 Ca 0.22 -0.87 -0.09 0.00 1.00 0.00 0.00 64.86 65.12 2wdx h ILE 380 Cb 0.38 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 2wdx h ILE 380 CO 0.00 0.33 -0.02 -0.61 0.00 0.00 0.00 178.15 177.86 2wdx h GLN 381 N 0.90 0.95 -0.51 2.37 5.75 -1.15 -1.63 115.11 121.80 2wdx h GLN 381 Ca 0.20 -0.29 -0.07 0.00 -0.15 0.00 0.00 58.65 58.33 2wdx h GLN 381 Cb 0.32 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 2wdx h GLN 381 CO -0.00 0.95 0.03 0.00 -2.65 0.00 0.00 178.83 177.16 2wdx h ALA 382 N 1.10 0.68 0.49 3.38 0.00 -1.24 -0.32 119.26 123.35 2wdx h ALA 382 Ca 0.16 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2wdx h ALA 382 Cb 0.54 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2wdx h ALA 382 CO 0.03 0.46 -0.33 0.28 0.00 0.00 0.00 179.25 179.69 2wdx h VAL 383 N 0.74 0.32 -0.81 0.00 2.07 -1.21 -1.42 116.25 115.93 2wdx h VAL 383 Ca 0.15 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.79 2wdx h VAL 383 Cb 0.48 0.32 -0.09 0.00 -1.52 0.00 0.00 31.29 30.48 2wdx h VAL 383 CO 0.02 0.00 0.41 0.22 0.02 0.00 0.00 177.57 178.24 2wdx h TYR 384 N -0.80 0.73 -0.56 1.57 5.03 -1.23 -0.80 116.97 120.92 2wdx h TYR 384 Ca -0.05 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.19 2wdx h TYR 384 Cb 0.66 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.72 2wdx h TYR 384 CO -0.12 0.21 -0.05 1.49 -1.32 0.00 0.00 178.16 178.37 2wdx h GLU 385 N 0.63 1.01 0.00 1.82 4.81 -0.92 -1.43 114.58 120.50 2wdx h GLU 385 Ca 0.42 -0.34 -0.18 0.00 -0.13 0.00 0.00 59.36 59.14 2wdx h GLU 385 Cb 0.54 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 2wdx h GLU 385 CO -0.33 1.02 -0.82 -0.91 -0.73 0.00 0.00 179.01 177.24 2wdx h ASN 386 N 0.91 0.08 1.08 1.04 2.35 -0.64 -3.01 115.58 117.39 2wdx h ASN 386 Ca 0.15 -0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.76 2wdx h ASN 386 Cb 0.60 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 2wdx h ASN 386 CO 0.04 0.86 -0.38 0.24 -1.65 0.00 0.00 177.43 176.54 2wdx h MET 387 N 0.03 0.00 -0.01 0.81 2.86 -1.00 -3.03 114.93 114.59 2wdx h MET 387 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2wdx h MET 387 Cb 1.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.10 2wdx h MET 387 CO 0.11 0.38 -0.00 2.41 1.06 0.00 0.00 176.91 180.87 2wdx n THR 388 N -3.39 0.00 -3.22 2.22 -1.04 -0.55 -4.36 114.28 103.93 2wdx n THR 388 Ca 0.01 -0.24 -0.25 0.00 -2.04 0.00 0.00 64.05 61.53 2wdx n THR 388 Cb 0.56 0.47 -0.06 0.00 -1.82 0.00 0.00 70.33 69.48 2wdx n THR 388 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2wdx n HIS 389 N 0.13 1.90 -1.77 -1.42 -0.00 -1.14 -4.92 115.22 107.99 2wdx n HIS 389 Ca 0.19 -3.89 -0.20 0.00 -0.00 0.00 0.00 57.72 53.82 2wdx n HIS 389 Cb 0.35 -0.46 0.08 0.00 -0.00 0.00 0.00 29.99 29.95 2wdx n HIS 389 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2wdx n MET 390 N 0.72 3.00 -1.99 -0.41 0.00 -1.26 -4.94 117.12 112.24 2wdx n MET 390 Ca 0.27 -3.79 -0.42 0.00 0.00 0.00 0.00 57.70 53.76 2wdx n MET 390 Cb 0.49 -2.15 -0.02 0.00 0.00 0.00 0.00 33.22 31.53 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 -3.09 6.63 0.00 7.83 1.01 -1.26 -1.80 116.67 126.00 2wdx s ASP 391 Ca 0.51 2.65 0.00 0.00 0.71 0.00 0.00 52.55 56.43 2wdx s ASP 391 Cb 0.42 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.74 2wdx s ASP 391 CO 0.01 -0.73 0.00 0.61 0.21 0.00 0.00 175.17 175.27 2wdx n GLY 392 N 2.57 1.19 3.55 0.21 0.00 -1.26 -5.02 105.19 106.43 2wdx n GLY 392 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.86 5.12 0.04 -0.61 -1.09 -0.74 -4.95 121.20 115.11 2wdx s ILE 393 Ca 0.00 0.14 -0.27 0.00 -2.23 0.00 0.00 60.65 58.30 2wdx s ILE 393 Cb 0.00 -3.87 -0.15 0.00 -1.58 0.00 0.00 42.46 36.87 2wdx s ILE 393 CO 0.00 -0.13 1.37 0.44 -1.23 0.00 0.00 174.94 175.39 2wdx h ASP 394 N 8.46 -0.81 -3.54 3.58 3.32 -1.88 -3.44 116.42 122.11 2wdx h ASP 394 Ca -0.29 0.03 -0.42 0.00 0.02 0.00 0.00 57.03 56.37 2wdx h ASP 394 Cb 1.14 0.21 -0.33 0.00 0.22 0.00 0.00 39.33 40.57 2wdx h ASP 394 CO 0.72 -0.57 -0.78 -0.47 -1.72 0.00 0.00 179.24 176.42 2wdx s TYR 395 N -5.05 0.82 -0.07 4.55 5.04 -0.86 -4.77 117.35 117.01 2wdx s TYR 395 Ca -0.14 -0.23 -0.05 0.00 -2.44 0.00 0.00 57.07 54.21 2wdx s TYR 395 Cb 0.01 -0.68 0.03 0.00 0.35 0.00 0.00 41.96 41.68 2wdx s TYR 395 CO 0.42 -0.17 0.18 0.20 -1.34 0.00 0.00 175.55 174.84 2wdx s GLY 396 N 0.70 -0.11 0.09 8.97 0.00 -1.26 -1.35 107.32 114.38 2wdx s GLY 396 Ca -0.10 0.65 -0.11 0.00 0.00 0.00 0.00 44.72 45.17 2wdx s GLY 396 CO 0.01 0.76 0.24 0.00 0.00 0.00 0.00 173.10 174.11 2wdx s ALA 397 N 0.64 -0.41 -0.14 3.20 0.00 -0.51 -0.84 121.76 123.70 2wdx s ALA 397 Ca -0.04 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.48 2wdx s ALA 397 Cb -0.06 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.59 2wdx s ALA 397 CO -0.03 -0.53 -0.20 0.08 0.00 0.00 0.00 175.76 175.08 2wdx s VAL 398 N -3.76 2.30 -0.20 0.00 1.01 0.11 -1.34 120.40 118.51 2wdx s VAL 398 Ca 0.04 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 2wdx s VAL 398 Cb 0.04 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 2wdx s VAL 398 CO -0.11 0.54 -0.05 0.26 0.00 0.00 0.00 175.10 175.74 2wdx s TRP 399 N 0.72 2.95 -0.45 5.22 0.52 -0.47 -0.62 118.94 126.81 2wdx s TRP 399 Ca -0.08 -0.85 -0.15 0.00 0.02 0.00 0.00 56.10 55.04 2wdx s TRP 399 Cb -0.16 -2.06 0.06 0.00 -1.15 0.00 0.00 33.47 30.16 2wdx s TRP 399 CO 0.01 -0.47 0.36 -0.51 0.02 0.00 0.00 176.95 176.36 2wdx s LEU 400 N 1.26 5.46 -0.27 2.99 1.43 -0.18 -1.04 118.68 128.32 2wdx s LEU 400 Ca 0.03 -1.26 -0.09 0.00 -1.03 0.00 0.00 54.13 51.78 2wdx s LEU 400 Cb -0.14 -2.15 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 2wdx s LEU 400 CO -0.02 -0.59 0.12 -0.63 0.23 0.00 0.00 176.35 175.46 2wdx s ILE 401 N 1.62 4.61 0.16 -0.59 1.01 0.27 -1.22 121.20 127.06 2wdx s ILE 401 Ca 0.04 -0.15 -0.34 0.00 0.00 0.00 0.00 60.65 60.20 2wdx s ILE 401 Cb -0.23 -3.21 -0.15 0.00 0.01 0.00 0.00 42.46 38.88 2wdx s ILE 401 CO 0.07 0.25 1.37 0.61 0.00 0.00 0.00 174.94 177.24 2wdx n GLY 402 N 4.97 0.59 0.60 6.18 0.00 -0.49 -0.25 105.19 116.79 2wdx n GLY 402 Ca -0.15 0.60 -0.03 0.00 0.00 0.00 0.00 46.02 46.43 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 2.31 -0.27 -0.95 1.61 9.36 0.08 -4.74 117.16 124.55 2wdx n TYR 403 Ca 0.15 -0.50 0.00 0.00 3.32 0.00 0.00 57.90 60.88 2wdx n TYR 403 Cb 0.26 0.07 0.00 0.00 -0.63 0.00 0.00 39.34 39.04 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 -0.11 0.54 7.00 2.98 0.00 -1.21 -4.55 105.19 109.83 2wdx n GLY 404 Ca 0.01 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 2.65 0.24 -0.02 0.00 0.76 -2.05 105.19 106.76 2wdx n GLY 405 Ca 0.00 0.34 0.12 0.00 0.00 0.00 0.00 46.02 46.48 2wdx n GLY 405 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wdx h LYS 406 N 0.00 0.00 -0.98 1.61 1.63 -1.27 -2.06 116.57 115.50 2wdx h LYS 406 Ca 0.00 0.00 0.19 0.00 -0.85 0.00 0.00 60.65 59.99 2wdx h LYS 406 Cb 0.00 0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 31.52 2wdx h LYS 406 CO 0.00 0.14 0.58 0.28 -3.45 0.00 0.00 179.45 177.00 2wdx h VAL 407 N 0.00 0.67 -0.00 2.00 2.07 -1.50 -3.04 116.25 116.45 2wdx h VAL 407 Ca -0.00 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2wdx h VAL 407 Cb 0.74 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2wdx h VAL 407 CO 0.02 0.13 -0.01 0.59 0.02 0.00 0.00 177.57 178.32 2wdx n ASN 408 N -4.81 0.06 0.00 0.57 3.02 -0.78 -2.97 115.26 110.36 2wdx n ASN 408 Ca 0.23 -0.56 0.11 0.00 -0.03 0.00 0.00 54.58 54.33 2wdx n ASN 408 Cb 0.58 -0.14 0.54 0.00 -0.61 0.00 0.00 39.78 40.14 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 -1.11 0.36 -3.92 3.41 -2.24 -1.15 -4.82 114.28 104.80 2wdx n THR 409 Ca 0.18 0.09 -0.36 0.00 -2.27 0.00 0.00 64.05 61.69 2wdx n THR 409 Cb 0.19 -0.72 -0.07 0.00 -2.10 0.00 0.00 70.33 67.63 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 -2.69 5.32 0.40 2.28 1.01 -1.16 -5.06 120.40 120.50 2wdx s VAL 410 Ca 0.18 0.14 -0.27 0.00 0.00 0.00 0.00 61.98 62.04 2wdx s VAL 410 Cb 0.15 -3.33 -0.10 0.00 0.00 0.00 0.00 36.38 33.09 2wdx s VAL 410 CO 0.36 0.58 1.40 -0.67 0.00 0.00 0.00 175.10 176.77 2wdx n ASP 411 N 2.31 3.26 0.33 3.32 -0.08 -1.26 -4.84 116.55 119.59 2wdx n ASP 411 Ca -0.19 1.18 0.19 0.00 -1.51 0.00 0.00 54.79 54.46 2wdx n ASP 411 Cb 0.54 -1.57 1.00 0.00 2.34 0.00 0.00 41.12 43.43 2wdx n ASP 411 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2wdx h PRO 412 N 2.56 0.00 -0.00 -0.67 0.11 -1.84 -2.23 132.00 129.93 2wdx h PRO 412 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2wdx h PRO 412 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2wdx h PRO 412 CO 0.62 0.00 -0.41 0.00 -0.21 0.00 0.00 178.00 178.01 2wdx n ALA 413 N -2.00 3.20 0.27 -0.75 0.00 -1.26 -4.03 120.51 115.93 2wdx n ALA 413 Ca -0.02 -0.33 0.12 0.00 0.00 0.00 0.00 53.44 53.21 2wdx n ALA 413 Cb 0.24 -0.37 0.74 0.00 0.00 0.00 0.00 19.45 20.07 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 1.54 1.39 -2.14 0.00 0.00 -1.75 -3.44 119.26 114.87 2wdx h ALA 414 Ca 0.00 -0.09 -0.54 0.00 0.00 0.00 0.00 54.91 54.28 2wdx h ALA 414 Cb 0.27 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 17.92 2wdx h ALA 414 CO 0.00 0.12 -0.49 0.95 0.00 0.00 0.00 179.25 179.83 2wdx s THR 415 N -4.35 0.29 -2.00 0.00 -4.23 -1.26 -5.04 115.64 99.05 2wdx s THR 415 Ca -0.03 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.67 2wdx s THR 415 Cb 0.14 -2.37 0.56 0.00 1.34 0.00 0.00 72.50 72.17 2wdx s THR 415 CO 0.59 0.00 1.71 0.00 -0.54 0.00 0.00 174.62 176.38 2wdx n ALA 416 N -0.83 2.56 -2.53 3.99 0.00 -0.96 -4.65 120.51 118.09 2wdx n ALA 416 Ca -0.00 -0.12 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 2wdx n ALA 416 Cb 0.64 -1.32 -0.10 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.65 4.56 0.30 0.00 1.43 -1.22 -4.59 118.68 117.52 2wdx s LEU 417 Ca 0.29 -0.40 0.16 0.00 -1.03 0.00 0.00 54.13 53.15 2wdx s LEU 417 Cb 0.13 -2.23 0.27 0.00 0.03 0.00 0.00 46.19 44.39 2wdx s LEU 417 CO 0.23 -0.31 1.54 1.55 0.23 0.00 0.00 176.35 179.58 2wdx h PRO 418 N 8.50 0.00 -5.93 1.29 0.13 -1.78 -3.44 132.00 130.78 2wdx h PRO 418 Ca -0.30 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.23 2wdx h PRO 418 Cb 1.15 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.17 2wdx h PRO 418 CO 0.67 0.50 1.04 -0.65 -0.23 0.00 0.00 178.00 179.33 2wdx s GLN 419 N -3.17 3.33 -0.09 0.86 1.11 -1.26 -4.57 119.66 115.87 2wdx s GLN 419 Ca 0.02 -0.80 0.13 0.00 0.01 0.00 0.00 55.36 54.73 2wdx s GLN 419 Cb 0.09 -4.61 0.27 0.00 -1.01 0.00 0.00 33.01 27.75 2wdx s GLN 419 CO 0.73 -2.05 1.13 0.54 0.01 0.00 0.00 175.29 175.65 2wdx n ARG 420 N 8.53 0.74 -0.28 2.91 5.12 -1.26 -4.59 116.66 127.84 2wdx n ARG 420 Ca 0.12 -2.19 0.02 0.00 -1.93 0.00 0.00 57.85 53.88 2wdx n ARG 420 Cb 0.49 -0.96 0.03 0.00 -1.16 0.00 0.00 32.46 30.86 2wdx n ARG 420 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 2wdx n ASP 421 N -0.59 0.65 -4.79 0.55 5.68 -1.26 -4.42 116.55 112.37 2wdx n ASP 421 Ca 0.10 -2.05 -0.31 0.00 -0.50 0.00 0.00 54.79 52.03 2wdx n ASP 421 Cb 0.77 -0.20 0.06 0.00 -1.14 0.00 0.00 41.12 40.61 2wdx n ASP 421 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wdx s ALA 422 N -0.69 2.49 0.00 2.12 0.00 -1.26 -4.77 121.76 119.65 2wdx s ALA 422 Ca 0.07 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.27 2wdx s ALA 422 Cb 0.06 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.94 2wdx s ALA 422 CO 0.01 -1.40 0.00 0.44 0.00 0.00 0.00 175.76 174.81 2wdx n ILE 423 N -3.08 0.00 -3.60 0.00 -5.35 -0.20 -3.34 119.36 103.80 2wdx n ILE 423 Ca 0.09 -0.03 -0.16 0.00 -0.27 0.00 0.00 62.75 62.37 2wdx n ILE 423 Cb 0.53 0.53 -0.07 0.00 -1.74 0.00 0.00 39.64 38.89 2wdx n ILE 423 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2wdx s LEU 424 N -2.91 -0.29 0.01 7.28 1.43 -1.21 -0.75 118.68 122.24 2wdx s LEU 424 Ca 0.00 0.70 -0.01 0.00 -1.03 0.00 0.00 54.13 53.79 2wdx s LEU 424 Cb 0.00 2.20 -0.04 0.00 0.03 0.00 0.00 46.19 48.38 2wdx s LEU 424 CO 0.00 -0.50 0.11 -0.54 0.23 0.00 0.00 176.35 175.65 2wdx s LYS 425 N -0.91 3.16 -0.11 1.70 1.02 0.65 -1.69 119.74 123.55 2wdx s LYS 425 Ca -0.09 -0.46 0.00 0.00 0.02 0.00 0.00 55.97 55.43 2wdx s LYS 425 Cb -0.02 -2.91 0.02 0.00 -0.52 0.00 0.00 37.83 34.40 2wdx s LYS 425 CO 0.07 0.64 -0.09 0.54 -0.92 0.00 0.00 175.35 175.59 2wdx s VAL 426 N -1.26 1.12 -0.04 3.17 0.11 -0.34 0.97 120.40 124.13 2wdx s VAL 426 Ca 0.25 -0.36 0.01 0.00 -2.93 0.00 0.00 61.98 58.95 2wdx s VAL 426 Cb -0.12 -1.10 -0.03 0.00 -1.53 0.00 0.00 36.38 33.59 2wdx s VAL 426 CO 0.17 0.38 -0.05 0.20 -3.33 0.00 0.00 175.10 172.47 2wdx s ASN 427 N 1.52 4.80 -0.30 3.54 -0.87 -0.21 -1.73 114.94 121.68 2wdx s ASN 427 Ca 0.02 -0.03 0.03 0.00 -1.57 0.00 0.00 52.86 51.30 2wdx s ASN 427 Cb -0.13 -1.21 0.08 0.00 -0.02 0.00 0.00 41.25 39.97 2wdx s ASN 427 CO -0.07 0.33 -0.02 -0.31 -2.57 0.00 0.00 177.10 174.46 2wdx s TYR 428 N -0.92 3.49 -0.06 2.20 1.51 0.20 -1.36 117.35 122.41 2wdx s TYR 428 Ca 0.15 -2.58 0.02 0.00 -1.01 0.00 0.00 57.07 53.65 2wdx s TYR 428 Cb -0.11 -2.42 -0.03 0.00 -0.11 0.00 0.00 41.96 39.29 2wdx s TYR 428 CO 0.05 -0.91 -0.10 0.42 -1.11 0.00 0.00 175.55 173.90 2wdx s ILE 429 N 1.03 3.41 0.07 2.71 1.01 -0.45 -1.78 121.20 127.20 2wdx s ILE 429 Ca 0.00 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.09 2wdx s ILE 429 Cb -0.20 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 39.87 2wdx s ILE 429 CO -0.06 0.59 -0.12 0.28 0.00 0.00 0.00 174.94 175.63 2wdx s THR 430 N -0.78 0.97 -0.02 2.92 -1.32 -0.06 -1.43 115.64 115.92 2wdx s THR 430 Ca 0.12 -1.34 -0.07 0.00 -1.21 0.00 0.00 61.69 59.19 2wdx s THR 430 Cb -0.11 -1.05 0.01 0.00 -1.51 0.00 0.00 72.50 69.84 2wdx s THR 430 CO 0.01 -0.33 0.15 -0.83 -2.21 0.00 0.00 174.62 171.41 2wdx s GLY 431 N -1.87 -0.00 0.03 6.08 0.00 -0.45 -1.13 107.32 109.96 2wdx s GLY 431 Ca -0.02 0.04 -0.05 0.00 0.00 0.00 0.00 44.72 44.69 2wdx s GLY 431 CO 0.01 -0.08 0.08 0.66 0.00 0.00 0.00 173.10 173.77 2wdx s TRP 432 N -1.00 0.18 -0.12 1.90 -2.14 -0.47 -2.03 118.94 115.26 2wdx s TRP 432 Ca -0.11 -0.42 -0.24 0.00 2.66 0.00 0.00 56.10 57.99 2wdx s TRP 432 Cb -0.06 -0.13 -0.21 0.00 -3.10 0.00 0.00 33.47 29.97 2wdx s TRP 432 CO 0.01 -0.31 0.69 0.00 -2.66 0.00 0.00 176.95 174.68 2wdx h ALA 433 N 3.99 -0.02 -3.10 2.67 0.00 -1.96 -3.23 119.26 117.61 2wdx h ALA 433 Ca -0.32 -0.38 -0.63 0.00 0.00 0.00 0.00 54.91 53.57 2wdx h ALA 433 Cb 1.19 0.01 -0.20 0.00 0.00 0.00 0.00 17.79 18.79 2wdx h ALA 433 CO 0.46 -0.04 -0.60 1.21 0.00 0.00 0.00 179.25 180.29 2wdx s ASN 434 N -6.02 5.36 0.49 0.00 3.84 -1.26 -4.91 114.94 112.44 2wdx s ASN 434 Ca -0.15 -0.07 0.41 0.00 0.21 0.00 0.00 52.86 53.26 2wdx s ASN 434 Cb -0.02 -1.94 1.57 0.00 -0.55 0.00 0.00 41.25 40.31 2wdx s ASN 434 CO 0.56 0.06 1.50 -2.65 -2.79 0.00 0.00 177.10 173.79 2wdx n PRO 435 N 4.28 -0.01 0.24 0.43 -0.02 -1.26 0.13 135.00 138.79 2wdx n PRO 435 Ca -0.16 1.11 0.16 0.00 -2.02 0.00 0.00 63.50 62.59 2wdx n PRO 435 Cb 0.52 -2.39 0.67 0.00 -0.02 0.00 0.00 33.50 32.28 2wdx n PRO 435 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2wdx h GLY 436 N 0.00 0.00 -2.75 -1.23 0.00 -2.01 -2.78 103.07 94.30 2wdx h GLY 436 Ca 0.88 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.21 2wdx h GLY 436 CO -0.20 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.04 2wdx n ASN 437 N -2.87 4.34 -0.15 0.19 5.03 0.34 -4.58 115.26 117.56 2wdx n ASN 437 Ca 0.01 -2.29 -0.04 0.00 0.87 0.00 0.00 54.58 53.13 2wdx n ASN 437 Cb 0.27 -0.52 0.05 0.00 -1.02 0.00 0.00 39.78 38.56 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 3.91 0.33 -0.12 3.52 4.81 -1.54 -3.09 114.58 122.40 2wdx h GLU 438 Ca 0.00 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2wdx h GLU 438 Cb 1.25 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 2wdx h GLU 438 CO 0.14 0.22 -0.04 0.00 -0.73 0.00 0.00 179.01 178.60 2wdx h ALA 439 N 1.31 0.17 -0.44 2.92 0.00 -1.84 -1.66 119.26 119.72 2wdx h ALA 439 Ca 0.22 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.97 2wdx h ALA 439 Cb 0.23 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2wdx h ALA 439 CO -0.23 -0.07 0.30 -0.22 0.00 0.00 0.00 179.25 179.02 2wdx h LYS 440 N -0.08 0.28 0.16 0.00 1.63 -1.89 -1.34 116.57 115.32 2wdx h LYS 440 Ca 0.03 -0.02 -0.29 0.00 -0.85 0.00 0.00 60.65 59.52 2wdx h LYS 440 Cb 0.47 -0.06 0.02 0.00 -0.60 0.00 0.00 32.23 32.05 2wdx h LYS 440 CO 0.01 0.19 -1.29 0.45 -3.45 0.00 0.00 179.45 175.36 2wdx h HIS 441 N 0.29 0.68 -0.66 1.91 3.86 -1.36 -2.38 115.15 117.50 2wdx h HIS 441 Ca 0.20 -0.48 -0.05 0.00 -1.16 0.00 0.00 60.37 58.88 2wdx h HIS 441 Cb 0.40 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.81 2wdx h HIS 441 CO -0.00 1.37 0.23 -0.07 0.86 0.00 0.00 177.93 180.32 2wdx h LEU 442 N 0.12 0.93 -0.68 2.43 3.38 -1.02 -1.38 115.31 119.10 2wdx h LEU 442 Ca -0.17 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 2wdx h LEU 442 Cb 2.00 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.47 2wdx h LEU 442 CO 0.22 0.87 0.33 0.74 0.09 0.00 0.00 178.44 180.70 2wdx h THR 443 N 0.94 1.23 0.12 0.22 2.02 -1.24 -1.37 112.91 114.83 2wdx h THR 443 Ca 0.22 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 2wdx h THR 443 Cb 0.25 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 2wdx h THR 443 CO -0.01 0.26 -0.06 -0.25 0.37 0.00 0.00 175.52 175.83 2wdx h TRP 444 N 0.94 -0.15 -0.54 3.16 7.01 -1.20 -2.18 115.95 122.99 2wdx h TRP 444 Ca 0.23 -0.00 -0.10 0.00 2.11 0.00 0.00 58.89 61.13 2wdx h TRP 444 Cb 0.11 0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.20 2wdx h TRP 444 CO 0.00 0.12 -0.05 -0.24 -2.79 0.00 0.00 178.44 175.48 2wdx h VAL 445 N -0.42 1.26 -0.45 2.65 3.04 -1.16 -1.46 116.25 119.70 2wdx h VAL 445 Ca -0.02 -1.17 -0.05 0.00 -1.01 0.00 0.00 66.70 64.46 2wdx h VAL 445 Cb 0.34 0.90 -0.02 0.00 -2.01 0.00 0.00 31.29 30.51 2wdx h VAL 445 CO 0.03 0.42 0.10 0.03 -1.01 0.00 0.00 177.57 177.14 2wdx h ARG 446 N 0.87 0.73 -0.20 4.17 3.08 -1.31 -2.35 114.38 119.37 2wdx h ARG 446 Ca 0.15 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2wdx h ARG 446 Cb 0.58 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 2wdx h ARG 446 CO 0.04 0.73 0.13 -0.22 -1.07 0.00 0.00 179.97 179.58 2wdx h LYS 447 N 0.60 0.27 -0.73 0.04 3.64 -1.21 -0.46 116.57 118.73 2wdx h LYS 447 Ca 0.14 -0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.64 2wdx h LYS 447 Cb 0.34 -0.06 -0.14 0.00 -0.41 0.00 0.00 32.23 31.96 2wdx h LYS 447 CO 0.00 0.19 -0.25 1.25 -2.27 0.00 0.00 179.45 178.37 2wdx h LEU 448 N 0.27 -0.89 0.13 5.20 6.46 -1.10 0.79 115.31 126.17 2wdx h LEU 448 Ca 0.07 0.23 -0.25 0.00 -0.12 0.00 0.00 57.88 57.81 2wdx h LEU 448 Cb -0.02 0.52 0.03 0.00 -0.73 0.00 0.00 40.66 40.46 2wdx h LEU 448 CO -0.02 -0.27 -1.07 0.22 -0.62 0.00 0.00 178.44 176.68 2wdx h TYR 449 N -0.05 0.83 -0.57 1.25 3.20 -1.18 -2.06 116.97 118.39 2wdx h TYR 449 Ca 0.33 -0.54 0.02 0.00 3.14 0.00 0.00 58.73 61.68 2wdx h TYR 449 Cb 0.56 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.74 2wdx h TYR 449 CO -0.63 1.40 0.38 0.00 -1.64 0.00 0.00 178.16 177.66 2wdx h ALA 450 N 0.21 1.67 -0.28 1.82 0.00 -0.84 -1.53 119.26 120.31 2wdx h ALA 450 Ca -0.17 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 2wdx h ALA 450 Cb 1.79 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 2wdx h ALA 450 CO 0.20 0.28 -0.47 -0.44 0.00 0.00 0.00 179.25 178.82 2wdx h ASP 451 N 0.70 0.90 -0.22 0.00 3.32 -0.69 0.44 116.42 120.87 2wdx h ASP 451 Ca 0.22 -0.52 -0.09 0.00 0.02 0.00 0.00 57.03 56.66 2wdx h ASP 451 Cb 0.03 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 2wdx h ASP 451 CO -0.06 1.25 -0.16 0.58 -1.72 0.00 0.00 179.24 179.13 2wdx h VAL 452 N 0.59 1.26 -0.38 -1.35 2.07 -1.03 -3.09 116.25 114.31 2wdx h VAL 452 Ca 0.02 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.36 2wdx h VAL 452 Cb 1.07 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 2wdx h VAL 452 CO 0.11 0.39 0.00 -1.22 0.02 0.00 0.00 177.57 176.87 2wdx n TYR 453 N -4.15 1.19 -0.23 1.57 4.01 -0.60 -4.67 117.16 114.27 2wdx n TYR 453 Ca 0.01 -0.77 0.27 0.00 -0.16 0.00 0.00 57.90 57.24 2wdx n TYR 453 Cb 0.37 -0.32 0.65 0.00 -0.31 0.00 0.00 39.34 39.74 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 2.55 2.67 0.00 -0.72 0.00 -0.82 0.86 119.26 123.80 2wdx h ALA 454 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wdx h ALA 454 Cb 1.48 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2wdx h ALA 454 CO 0.26 -0.97 0.00 0.93 0.00 0.00 0.00 179.25 179.47 2wdx h GLU 455 N 0.14 0.00 -1.68 0.00 5.08 -1.86 -3.33 114.58 112.93 2wdx h GLU 455 Ca 0.48 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 58.37 2wdx h GLU 455 Cb 1.65 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.50 2wdx h GLU 455 CO -0.08 0.00 -1.09 0.25 -1.00 0.00 0.00 179.01 177.09 2wdx n THR 456 N -2.84 0.84 -1.13 1.13 -2.24 0.17 -4.96 114.28 105.25 2wdx n THR 456 Ca 0.01 -4.27 -0.05 0.00 -2.27 0.00 0.00 64.05 57.47 2wdx n THR 456 Cb 0.25 -0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.26 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 0.04 0.65 1.48 3.38 0.00 -1.21 -2.67 105.19 106.86 2wdx n GLY 457 Ca 0.22 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.19 0.59 3.10 -0.02 0.00 -0.45 -0.62 105.19 106.60 2wdx n GLY 458 Ca -0.05 -0.38 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.00 0.50 -1.20 1.61 -7.23 -1.09 -4.26 120.40 106.73 2wdx s VAL 459 Ca 0.00 -1.49 -0.11 0.00 -1.81 0.00 0.00 61.98 58.56 2wdx s VAL 459 Cb 0.00 -1.11 -0.07 0.00 0.56 0.00 0.00 36.38 35.77 2wdx s VAL 459 CO 0.00 -0.68 2.36 -0.81 -0.31 0.00 0.00 175.10 175.66 2wdx n PRO 460 N 0.71 2.61 -1.68 4.82 -0.04 -1.26 -4.68 135.00 135.47 2wdx n PRO 460 Ca -0.18 -1.95 -0.45 0.00 -0.04 0.00 0.00 63.50 60.88 2wdx n PRO 460 Cb 0.58 -2.79 -0.04 0.00 -0.04 0.00 0.00 33.50 31.21 2wdx n PRO 460 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2wdx n VAL 461 N 4.49 0.14 -1.63 0.52 0.31 -1.26 -0.82 118.33 120.09 2wdx n VAL 461 Ca 0.57 -0.02 -0.44 0.00 -0.01 0.00 0.00 64.34 64.43 2wdx n VAL 461 Cb 0.25 -1.78 -0.02 0.00 -0.91 0.00 0.00 33.84 31.39 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 4.31 1.61 -2.68 5.55 -0.02 -1.26 -4.50 135.00 138.01 2wdx n PRO 462 Ca 0.18 0.57 -0.02 0.00 -2.02 0.00 0.00 63.50 62.20 2wdx n PRO 462 Cb 0.32 -2.03 0.01 0.00 -0.02 0.00 0.00 33.50 31.77 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 1.29 -0.96 0.09 2.55 5.15 -0.99 -4.97 115.26 117.42 2wdx n ASN 463 Ca 0.09 -1.53 -0.04 0.00 -0.60 0.00 0.00 54.58 52.50 2wdx n ASN 463 Cb 0.32 1.56 -0.01 0.00 -0.53 0.00 0.00 39.78 41.12 2wdx n ASN 463 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 2wdx h ASP 464 N 1.04 0.00 0.00 1.20 3.32 -2.02 -3.40 116.42 116.55 2wdx h ASP 464 Ca -0.15 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.47 2wdx h ASP 464 Cb 0.63 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.12 2wdx h ASP 464 CO 0.20 0.83 -2.46 0.52 -1.72 0.00 0.00 179.24 176.60 2wdx n VAL 465 N -3.46 1.44 -3.33 -1.35 0.31 -1.26 -4.23 118.33 106.45 2wdx n VAL 465 Ca -0.00 -0.38 -0.20 0.00 -0.01 0.00 0.00 64.34 63.75 2wdx n VAL 465 Cb 0.82 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 2wdx n VAL 465 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2wdx s SER 466 N -7.29 5.94 -0.28 4.52 0.01 -1.26 0.44 113.70 115.78 2wdx s SER 466 Ca -0.36 -0.02 0.19 0.00 1.31 0.00 0.00 55.95 57.07 2wdx s SER 466 Cb 0.14 -1.36 0.46 0.00 0.21 0.00 0.00 66.02 65.47 2wdx s SER 466 CO 0.47 -0.50 1.27 -0.67 0.41 0.00 0.00 173.24 174.22 2wdx n ASP 467 N -1.78 0.40 0.00 2.44 2.03 -1.04 -2.35 116.55 116.25 2wdx n ASP 467 Ca -0.00 -2.09 0.00 0.00 0.52 0.00 0.00 54.79 53.22 2wdx n ASP 467 Cb 0.58 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 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 -0.91 -0.74 3.41 0.27 0.00 0.00 -4.71 105.19 102.51 2wdx n GLY 468 Ca -0.03 -1.37 -0.22 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.27 2.41 -0.14 4.61 0.00 -0.59 -1.10 121.76 125.69 2wdx s ALA 469 Ca 0.00 -1.58 0.02 0.00 0.00 0.00 0.00 51.96 50.40 2wdx s ALA 469 Cb 0.00 1.03 0.01 0.00 0.00 0.00 0.00 23.12 24.16 2wdx s ALA 469 CO 0.00 -0.46 -0.21 -0.47 0.00 0.00 0.00 175.76 174.62 2wdx s TYR 470 N -3.37 2.63 0.41 0.00 5.04 -1.26 -4.24 117.35 116.54 2wdx s TYR 470 Ca 0.31 -1.34 0.28 0.00 -2.44 0.00 0.00 57.07 53.87 2wdx s TYR 470 Cb 0.03 -1.79 1.46 0.00 0.35 0.00 0.00 41.96 42.01 2wdx s TYR 470 CO 0.18 -0.62 2.07 0.97 -1.34 0.00 0.00 175.55 176.81 2wdx h ILE 471 N 5.85 0.54 0.00 3.14 6.09 -1.89 0.45 117.51 131.68 2wdx h ILE 471 Ca -0.34 -0.52 0.00 0.00 -1.37 0.00 0.00 64.86 62.63 2wdx h ILE 471 Cb 1.18 1.35 0.00 0.00 0.47 0.00 0.00 36.82 39.82 2wdx h ILE 471 CO 0.56 0.11 0.00 0.59 -3.07 0.00 0.00 178.15 176.34 2wdx n ASN 472 N -3.61 0.64 -3.38 2.19 3.02 -1.26 -2.65 115.26 110.21 2wdx n ASN 472 Ca -0.02 0.64 -0.37 0.00 -0.03 0.00 0.00 54.58 54.80 2wdx n ASN 472 Cb 0.24 -0.78 0.01 0.00 -0.61 0.00 0.00 39.78 38.63 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 -2.18 3.14 -1.88 3.10 4.01 0.15 -4.75 117.16 118.75 2wdx n TYR 473 Ca 0.03 -2.93 -0.37 0.00 -0.16 0.00 0.00 57.90 54.46 2wdx n TYR 473 Cb 0.26 -0.99 0.04 0.00 -0.31 0.00 0.00 39.34 38.35 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 -4.08 3.02 -0.31 -0.72 0.04 -1.08 -4.73 135.00 127.13 2wdx s PRO 474 Ca 0.43 2.05 -0.00 0.00 0.04 0.00 0.00 61.00 63.52 2wdx s PRO 474 Cb 0.24 -2.09 0.14 0.00 0.04 0.00 0.00 34.50 32.82 2wdx s PRO 474 CO -0.15 -1.23 0.29 0.34 0.04 0.00 0.00 177.00 176.28 2wdx s ASP 475 N -1.25 1.88 0.62 6.66 2.15 -1.26 -4.54 116.67 120.93 2wdx s ASP 475 Ca 0.75 -1.11 0.30 0.00 0.43 0.00 0.00 52.55 52.92 2wdx s ASP 475 Cb -0.36 0.35 1.64 0.00 -0.30 0.00 0.00 42.92 44.25 2wdx s ASP 475 CO 0.41 -0.36 1.99 0.77 -0.17 0.00 0.00 175.17 177.81 2wdx h SER 476 N 7.92 0.00 -0.42 -0.34 4.64 -1.95 -1.27 113.55 122.13 2wdx h SER 476 Ca -0.09 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.36 2wdx h SER 476 Cb 1.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 2wdx h SER 476 CO 0.31 0.00 0.35 0.44 -0.87 0.00 0.00 176.83 177.06 2wdx h ASP 477 N 0.00 0.00 0.51 4.97 3.32 -1.96 -0.86 116.42 122.40 2wdx h ASP 477 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2wdx h ASP 477 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 2wdx h ASP 477 CO -0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 2wdx n LEU 478 N -4.13 0.31 -0.92 1.55 4.77 -0.48 -2.16 117.00 115.95 2wdx n LEU 478 Ca 0.07 0.59 0.07 0.00 -0.03 0.00 0.00 56.01 56.71 2wdx n LEU 478 Cb 0.54 -0.56 0.23 0.00 -2.33 0.00 0.00 43.42 41.30 2wdx n LEU 478 CO 0.33 -0.45 0.69 0.00 -1.33 0.00 0.00 177.39 176.63 2wdx n ALA 479 N -1.63 2.55 -3.17 -1.18 0.00 -0.33 -3.54 120.51 113.21 2wdx n ALA 479 Ca 0.02 -1.53 -0.36 0.00 0.00 0.00 0.00 53.44 51.57 2wdx n ALA 479 Cb 0.17 -0.64 -0.13 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.22 4.96 0.29 0.00 3.68 -0.92 -5.00 116.67 118.46 2wdx s ASP 480 Ca 0.35 -0.35 0.24 0.00 2.13 0.00 0.00 52.55 54.92 2wdx s ASP 480 Cb 0.22 -1.88 1.04 0.00 -1.45 0.00 0.00 42.92 40.86 2wdx s ASP 480 CO 0.17 -0.06 1.72 -0.81 0.13 0.00 0.00 175.17 176.32 2wdx n PRO 481 N 4.89 0.20 0.00 4.34 -0.04 -1.26 0.86 135.00 143.99 2wdx n PRO 481 Ca -0.16 0.47 0.13 0.00 -0.04 0.00 0.00 63.50 63.89 2wdx n PRO 481 Cb 0.51 -1.91 0.34 0.00 -0.04 0.00 0.00 33.50 32.39 2wdx n PRO 481 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wdx n GLY 482 N -0.21 -1.08 0.22 0.55 0.00 -1.26 -4.26 105.19 99.16 2wdx n GLY 482 Ca 0.01 -0.34 -0.04 0.00 0.00 0.00 0.00 46.02 45.66 2wdx n GLY 482 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wdx n LEU 483 N -1.23 2.35 -4.39 0.99 4.32 -0.78 -4.88 117.00 113.37 2wdx n LEU 483 Ca 0.08 -0.00 -0.44 0.00 -0.02 0.00 0.00 56.01 55.62 2wdx n LEU 483 Cb 0.33 -0.16 -0.06 0.00 -1.62 0.00 0.00 43.42 41.91 2wdx n LEU 483 CO 0.31 0.46 0.23 0.21 -1.22 0.00 0.00 177.39 177.39 2wdx s ASN 484 N -4.70 6.19 -0.27 -1.43 3.84 0.25 -4.69 114.94 114.13 2wdx s ASN 484 Ca -0.07 -1.28 0.11 0.00 0.21 0.00 0.00 52.86 51.83 2wdx s ASN 484 Cb 0.02 -2.25 0.53 0.00 -0.55 0.00 0.00 41.25 39.00 2wdx s ASN 484 CO 0.10 -0.86 1.49 0.35 -2.79 0.00 0.00 177.10 175.39 2wdx n THR 485 N 5.42 2.53 -2.69 -5.21 -2.24 0.21 -4.25 114.28 108.05 2wdx n THR 485 Ca -0.10 -2.39 -0.22 0.00 -2.27 0.00 0.00 64.05 59.07 2wdx n THR 485 Cb 0.43 -0.31 0.09 0.00 -2.10 0.00 0.00 70.33 68.44 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 -2.23 4.61 0.00 3.42 1.04 -1.22 -4.46 113.70 114.86 2wdx s SER 486 Ca 0.45 -0.43 0.32 0.00 0.48 0.00 0.00 55.95 56.77 2wdx s SER 486 Cb 0.39 -0.04 1.84 0.00 0.10 0.00 0.00 66.02 68.31 2wdx s SER 486 CO 0.04 -1.67 2.19 0.61 0.98 0.00 0.00 173.24 175.39 2wdx n GLY 487 N -2.65 -0.93 3.60 7.32 0.00 -1.26 -4.90 105.19 106.37 2wdx n GLY 487 Ca 0.14 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.01 5.30 0.61 1.61 1.01 -1.26 -5.07 120.40 120.59 2wdx s VAL 488 Ca 0.47 0.21 -0.18 0.00 0.00 0.00 0.00 61.98 62.48 2wdx s VAL 488 Cb 0.22 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 2wdx s VAL 488 CO 0.37 0.25 1.18 -2.84 0.00 0.00 0.00 175.10 174.06 2wdx s PRO 489 N 1.73 2.94 0.29 2.72 0.02 -1.26 -4.89 135.00 136.55 2wdx s PRO 489 Ca 0.08 1.72 0.02 0.00 0.02 0.00 0.00 61.00 62.83 2wdx s PRO 489 Cb -0.16 -1.94 0.71 0.00 0.02 0.00 0.00 34.50 33.14 2wdx s PRO 489 CO 0.10 -1.21 1.62 0.11 -0.33 0.00 0.00 177.00 177.30 2wdx h TRP 490 N 0.71 0.21 0.00 6.54 5.08 -1.96 -0.88 115.95 125.66 2wdx h TRP 490 Ca -0.50 0.06 -0.01 0.00 1.08 0.00 0.00 58.89 59.52 2wdx h TRP 490 Cb 1.28 0.05 -0.00 0.00 -3.00 0.00 0.00 29.16 27.49 2wdx h TRP 490 CO 0.49 -0.28 -0.06 1.12 -1.28 0.00 0.00 178.44 178.42 2wdx h HIS 491 N 0.13 0.00 0.11 0.12 2.07 -1.91 -1.93 115.15 113.74 2wdx h HIS 491 Ca 0.56 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 57.79 2wdx h HIS 491 Cb 1.14 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.12 2wdx h HIS 491 CO -0.33 0.06 -1.38 -0.44 -3.07 0.00 0.00 177.93 172.76 2wdx h ASP 492 N 0.00 0.36 -0.35 3.10 3.45 -1.48 -1.20 116.42 120.30 2wdx h ASP 492 Ca -0.00 -0.44 0.01 0.00 0.43 0.00 0.00 57.03 57.02 2wdx h ASP 492 Cb 0.28 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.91 2wdx h ASP 492 CO 0.01 1.36 0.23 -0.07 -1.57 0.00 0.00 179.24 179.19 2wdx h LEU 493 N 0.06 0.38 -0.01 1.55 3.38 -1.23 -1.29 115.31 118.15 2wdx h LEU 493 Ca -0.18 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 2wdx h LEU 493 Cb 1.98 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.64 2wdx h LEU 493 CO 0.17 0.28 -0.16 1.88 0.09 0.00 0.00 178.44 180.70 2wdx h TYR 494 N 0.46 0.18 0.00 1.13 0.05 -1.46 -1.57 116.97 115.76 2wdx h TYR 494 Ca 0.13 -0.09 -0.09 0.00 0.05 0.00 0.00 58.73 58.73 2wdx h TYR 494 Cb -0.04 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.66 2wdx h TYR 494 CO -0.06 0.86 -1.61 0.66 -1.05 0.00 0.00 178.16 176.97 2wdx n TYR 495 N -4.58 0.00 0.00 4.88 4.01 -0.46 -4.61 117.16 116.40 2wdx n TYR 495 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 2wdx n TYR 495 Cb 0.45 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 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 -2.12 0.00 0.00 -0.72 5.02 -0.49 -1.32 118.16 118.53 2wdx n LYS 496 Ca -0.09 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.29 2wdx n LYS 496 Cb 0.55 0.00 0.40 0.00 -0.02 0.00 0.00 35.03 35.96 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 -1.04 0.06 0.72 0.00 -1.26 -2.41 105.19 101.26 2wdx n GLY 497 Ca 0.00 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.44 0.60 0.09 1.61 3.02 -0.43 -4.45 115.26 114.27 2wdx n ASN 498 Ca 0.06 0.23 -0.12 0.00 -0.03 0.00 0.00 54.58 54.71 2wdx n ASN 498 Cb 0.19 -0.16 -0.06 0.00 -0.61 0.00 0.00 39.78 39.14 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 -0.40 -0.93 3.10 2.76 -1.58 -2.57 115.15 115.53 2wdx h HIS 499 Ca 0.00 0.01 0.17 0.00 -2.20 0.00 0.00 60.37 58.35 2wdx h HIS 499 Cb 0.67 0.17 -0.17 0.00 1.55 0.00 0.00 27.41 29.63 2wdx h HIS 499 CO 0.00 -0.23 -0.29 -2.30 -1.30 0.00 0.00 177.93 173.81 2wdx n PRO 500 N -5.28 -0.14 0.13 5.26 -0.02 -1.26 -1.56 135.00 132.13 2wdx n PRO 500 Ca -0.07 1.45 -0.02 0.00 -2.02 0.00 0.00 63.50 62.84 2wdx n PRO 500 Cb 0.20 -2.15 0.19 0.00 -0.02 0.00 0.00 33.50 31.71 2wdx n PRO 500 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2wdx h ARG 501 N 0.00 0.07 0.00 -0.52 2.43 -1.79 -2.33 114.38 112.24 2wdx h ARG 501 Ca 0.39 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.42 2wdx h ARG 501 Cb 0.63 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 2wdx h ARG 501 CO -0.95 0.62 -0.45 -0.07 -1.51 0.00 0.00 179.97 177.62 2wdx h LEU 502 N 0.06 0.00 -0.46 3.80 3.38 -0.99 -2.28 115.31 118.81 2wdx h LEU 502 Ca -0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 2wdx h LEU 502 Cb 1.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 2wdx h LEU 502 CO 0.08 0.45 -0.76 0.03 0.09 0.00 0.00 178.44 178.32 2wdx h ARG 503 N 0.00 0.11 0.01 1.13 3.08 -0.97 -1.55 114.38 116.18 2wdx h ARG 503 Ca -0.00 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 2wdx h ARG 503 Cb 0.85 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.93 2wdx h ARG 503 CO 0.06 0.82 -0.00 0.87 -1.07 0.00 0.00 179.97 180.64 2wdx h LYS 504 N 0.07 -0.01 -0.48 0.04 1.57 -1.15 -2.30 116.57 114.31 2wdx h LYS 504 Ca -0.02 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2wdx h LYS 504 Cb 1.34 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.63 2wdx h LYS 504 CO 0.11 0.01 0.21 0.28 -0.57 0.00 0.00 179.45 179.49 2wdx h VAL 505 N -0.03 1.20 -1.01 0.50 2.07 -1.31 -0.33 116.25 117.34 2wdx h VAL 505 Ca -0.00 -0.58 0.05 0.00 0.82 0.00 0.00 66.70 66.99 2wdx h VAL 505 Cb 0.02 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 2wdx h VAL 505 CO 0.00 0.22 0.66 0.50 0.02 0.00 0.00 177.57 178.97 2wdx h LYS 506 N 0.63 1.19 0.03 1.57 1.63 -1.23 -0.41 116.57 119.98 2wdx h LYS 506 Ca 0.16 -0.07 -0.25 0.00 -0.85 0.00 0.00 60.65 59.64 2wdx h LYS 506 Cb 0.15 -0.27 0.01 0.00 -0.60 0.00 0.00 32.23 31.52 2wdx h LYS 506 CO -0.02 0.79 -1.04 0.00 -3.45 0.00 0.00 179.45 175.73 2wdx h ALA 507 N 1.43 0.23 -0.30 5.00 0.00 -0.83 0.15 119.26 124.94 2wdx h ALA 507 Ca 0.42 -0.73 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 2wdx h ALA 507 Cb 0.08 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2wdx h ALA 507 CO -0.15 0.78 -0.11 0.00 0.00 0.00 0.00 179.25 179.78 2wdx h ALA 508 N 0.58 0.41 0.00 0.00 0.00 -0.69 -3.33 119.26 116.24 2wdx h ALA 508 Ca -0.11 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.34 2wdx h ALA 508 Cb 1.70 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 2wdx h ALA 508 CO 0.19 0.27 -1.86 0.66 0.00 0.00 0.00 179.25 178.51 2wdx n TYR 509 N -4.44 0.00 -3.05 0.00 4.01 -0.20 -4.56 117.16 108.91 2wdx n TYR 509 Ca -0.03 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.46 2wdx n TYR 509 Cb 0.35 -0.55 -0.04 0.00 -0.31 0.00 0.00 39.34 38.78 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 -2.31 3.57 0.30 7.72 2.03 0.52 -3.76 116.55 124.62 2wdx n ASP 510 Ca -0.14 -3.50 0.17 0.00 0.52 0.00 0.00 54.79 51.84 2wdx n ASP 510 Cb 0.72 -0.59 0.97 0.00 -0.72 0.00 0.00 41.12 41.50 2wdx n ASP 510 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2wdx h PRO 511 N 3.17 0.00 -0.00 -0.67 0.13 -1.67 0.42 132.00 133.37 2wdx h PRO 511 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2wdx h PRO 511 Cb 0.62 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.75 2wdx h PRO 511 CO 0.75 0.00 -0.23 0.54 -0.23 0.00 0.00 178.00 178.83 2wdx n ARG 512 N -3.68 0.50 -3.88 0.86 1.74 -1.26 -4.94 116.66 106.01 2wdx n ARG 512 Ca -0.02 -0.23 -0.30 0.00 -0.77 0.00 0.00 57.85 56.52 2wdx n ARG 512 Cb 0.11 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.07 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 -1.05 -4.54 0.22 0.55 5.15 0.14 -4.87 115.26 110.86 2wdx n ASN 513 Ca 0.11 -0.76 0.06 0.00 -0.60 0.00 0.00 54.58 53.40 2wdx n ASN 513 Cb 0.32 -3.65 0.55 0.00 -0.53 0.00 0.00 39.78 36.48 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 -1.85 0.05 -3.57 1.20 -0.00 -1.92 -3.38 115.15 105.68 2wdx h HIS 514 Ca -0.56 -0.00 -0.71 0.00 -0.00 0.00 0.00 60.37 59.10 2wdx h HIS 514 Cb 1.37 -0.01 -0.25 0.00 -0.00 0.00 0.00 27.41 28.51 2wdx h HIS 514 CO 0.59 0.12 -0.51 -0.06 -0.00 0.00 0.00 177.93 178.07 2wdx s PHE 515 N -4.90 3.25 0.22 5.26 0.08 -1.26 -4.70 117.98 115.93 2wdx s PHE 515 Ca -0.05 -1.02 -0.06 0.00 0.12 0.00 0.00 56.93 55.92 2wdx s PHE 515 Cb 0.16 -2.49 -0.02 0.00 -0.57 0.00 0.00 43.02 40.10 2wdx s PHE 515 CO 0.69 -0.67 0.29 -3.38 -0.10 0.00 0.00 175.22 172.04 2wdx s HIS 516 N 1.54 0.78 0.13 0.36 -3.43 -1.24 -4.58 115.29 108.85 2wdx s HIS 516 Ca 0.02 -1.07 -0.16 0.00 -0.80 0.00 0.00 55.06 53.05 2wdx s HIS 516 Cb -0.20 -0.21 0.06 0.00 -1.43 0.00 0.00 32.58 30.80 2wdx s HIS 516 CO 0.06 -0.79 0.75 -2.39 -2.00 0.00 0.00 174.74 170.37 2wdx n HIS 517 N -0.31 -1.11 0.31 0.38 1.44 -1.26 -4.98 115.22 109.70 2wdx n HIS 517 Ca -0.00 -0.90 0.18 0.00 -2.01 0.00 0.00 57.72 54.99 2wdx n HIS 517 Cb 0.64 0.44 0.92 0.00 0.12 0.00 0.00 29.99 32.11 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 1.32 0.00 1.59 0.00 -1.94 -2.49 119.26 119.74 2wdx h ALA 518 Ca -0.19 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 2wdx h ALA 518 Cb 0.86 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.45 2wdx h ALA 518 CO 0.26 -0.26 -0.78 1.28 0.00 0.00 0.00 179.25 179.75 2wdx n LEU 519 N -3.05 1.79 -4.79 0.00 4.32 -1.26 -5.01 117.00 108.99 2wdx n LEU 519 Ca -0.02 -2.88 -0.39 0.00 -0.02 0.00 0.00 56.01 52.71 2wdx n LEU 519 Cb 0.31 -0.25 -0.06 0.00 -1.62 0.00 0.00 43.42 41.80 2wdx n LEU 519 CO 0.17 0.92 0.38 -0.94 -1.22 0.00 0.00 177.39 176.69 2wdx s SER 520 N -2.57 7.23 0.15 -1.43 1.04 -0.94 -5.01 113.70 112.17 2wdx s SER 520 Ca 0.35 1.46 -0.34 0.00 0.48 0.00 0.00 55.95 57.90 2wdx s SER 520 Cb 0.38 -2.43 -0.15 0.00 0.10 0.00 0.00 66.02 63.92 2wdx s SER 520 CO -0.12 0.24 1.51 -0.38 0.98 0.00 0.00 173.24 175.47 2wdx n ILE 521 N 1.66 0.05 -4.45 -1.02 5.41 -1.26 -4.88 119.36 114.87 2wdx n ILE 521 Ca -0.08 -0.01 -0.24 0.00 1.00 0.00 0.00 62.75 63.42 2wdx n ILE 521 Cb 0.50 -1.36 -0.13 0.00 -0.71 0.00 0.00 39.64 37.93 2wdx n ILE 521 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wdx s ARG 522 N 0.74 1.20 0.00 0.38 1.04 -1.26 -5.02 118.95 116.03 2wdx s ARG 522 Ca 0.80 -0.99 0.00 0.00 -1.04 0.00 0.00 55.73 54.49 2wdx s ARG 522 Cb -0.74 -1.35 0.00 0.00 -2.04 0.00 0.00 34.95 30.82 2wdx s ARG 522 CO 0.40 0.33 0.00 -2.30 -0.04 0.00 0.00 175.30 173.70