#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 4.40 0.64 0.00 1.43 -1.26 -5.07 118.68 118.82 2wdx s LEU 27 Ca 0.00 0.73 -0.17 0.00 -1.03 0.00 0.00 54.13 53.66 2wdx s LEU 27 Cb 0.00 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 2wdx s LEU 27 CO 0.00 0.28 0.86 -0.81 0.23 0.00 0.00 176.35 176.91 2wdx n PRO 28 N 1.41 0.69 -1.76 1.29 -0.04 -1.26 -4.96 135.00 130.37 2wdx n PRO 28 Ca -0.13 0.28 -0.32 0.00 -0.04 0.00 0.00 63.50 63.30 2wdx n PRO 28 Cb 0.53 -2.08 0.04 0.00 -0.04 0.00 0.00 33.50 31.94 2wdx n PRO 28 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2wdx s PRO 29 N -2.79 3.04 0.32 0.54 0.04 -1.26 -5.00 135.00 129.89 2wdx s PRO 29 Ca 0.74 1.10 -0.29 0.00 0.04 0.00 0.00 61.00 62.59 2wdx s PRO 29 Cb -0.40 -2.00 -0.11 0.00 0.04 0.00 0.00 34.50 32.03 2wdx s PRO 29 CO 0.49 -1.03 1.57 0.00 0.04 0.00 0.00 177.00 178.08 2wdx n ALA 30 N -2.64 2.52 -1.97 8.56 0.00 -1.26 -4.93 120.51 120.78 2wdx n ALA 30 Ca 0.08 0.36 -0.26 0.00 0.00 0.00 0.00 53.44 53.62 2wdx n ALA 30 Cb 0.53 -2.45 0.15 0.00 0.00 0.00 0.00 19.45 17.67 2wdx n ALA 30 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2wdx s GLY 31 N 0.32 1.77 0.21 0.00 0.00 -1.26 -3.29 107.32 105.08 2wdx s GLY 31 Ca 0.61 -1.53 -0.30 0.00 0.00 0.00 0.00 44.72 43.50 2wdx s GLY 31 CO 0.53 -0.86 1.22 2.56 0.00 0.00 0.00 173.10 176.55 2wdx s PRO 32 N -5.48 4.47 -0.15 2.90 0.04 -1.26 -4.26 135.00 131.26 2wdx s PRO 32 Ca 0.70 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.68 2wdx s PRO 32 Cb -0.04 -3.21 0.03 0.00 0.04 0.00 0.00 34.50 31.31 2wdx s PRO 32 CO 0.48 -0.10 -0.11 0.08 0.04 0.00 0.00 177.00 177.39 2wdx s VAL 33 N -0.24 1.41 -0.49 -0.36 1.01 0.38 -4.98 120.40 117.14 2wdx s VAL 33 Ca 0.52 -0.59 -0.23 0.00 0.00 0.00 0.00 61.98 61.68 2wdx s VAL 33 Cb -0.34 -1.38 0.03 0.00 0.00 0.00 0.00 36.38 34.69 2wdx s VAL 33 CO 0.39 0.37 0.81 -0.75 0.00 0.00 0.00 175.10 175.92 2wdx s LYS 34 N 1.54 3.35 -0.58 2.72 2.20 -1.26 0.22 119.74 127.94 2wdx s LYS 34 Ca 0.04 -0.25 -0.19 0.00 -0.36 0.00 0.00 55.97 55.21 2wdx s LYS 34 Cb -0.13 -3.99 0.10 0.00 -1.51 0.00 0.00 37.83 32.30 2wdx s LYS 34 CO -0.10 -1.24 0.67 0.08 -0.36 0.00 0.00 175.35 174.40 2wdx s VAL 35 N 3.40 4.88 0.45 4.02 1.01 0.14 -4.91 120.40 129.39 2wdx s VAL 35 Ca 0.28 -1.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 2wdx s VAL 35 Cb -0.13 -4.45 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 2wdx s VAL 35 CO 0.20 -1.06 0.74 0.42 0.00 0.00 0.00 175.10 175.40 2wdx s THR 36 N 2.54 4.94 0.53 3.92 -4.23 -1.26 0.69 115.64 122.76 2wdx s THR 36 Ca 0.11 0.11 0.36 0.00 -1.18 0.00 0.00 61.69 61.09 2wdx s THR 36 Cb -0.24 -3.85 0.36 0.00 1.34 0.00 0.00 72.50 70.11 2wdx s THR 36 CO 0.06 -0.76 2.11 -0.65 -0.54 0.00 0.00 174.62 174.84 2wdx h PRO 37 N 0.42 0.00 -0.01 3.99 0.11 -1.88 0.24 132.00 134.88 2wdx h PRO 37 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2wdx h PRO 37 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2wdx h PRO 37 CO 0.62 0.00 -0.50 -0.40 -0.21 0.00 0.00 178.00 177.51 2wdx n ASP 38 N -2.87 1.07 -4.77 -2.05 5.68 -1.26 -4.83 116.55 107.51 2wdx n ASP 38 Ca -0.02 -0.85 -0.40 0.00 -0.50 0.00 0.00 54.79 53.01 2wdx n ASP 38 Cb 0.17 0.38 -0.02 0.00 -1.14 0.00 0.00 41.12 40.51 2wdx n ASP 38 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2wdx s ASP 39 N -2.72 6.70 0.56 -1.12 -1.08 0.85 -4.94 116.67 114.93 2wdx s ASP 39 Ca 0.17 2.65 0.25 0.00 -0.52 0.00 0.00 52.55 55.09 2wdx s ASP 39 Cb 0.18 -2.64 1.61 0.00 -1.46 0.00 0.00 42.92 40.61 2wdx s ASP 39 CO 0.64 -0.58 2.21 1.55 0.52 0.00 0.00 175.17 179.51 2wdx h PRO 40 N 3.24 0.00 -0.00 4.34 0.13 -1.91 -2.51 132.00 135.28 2wdx h PRO 40 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2wdx h PRO 40 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2wdx h PRO 40 CO 0.65 0.01 -0.08 0.54 -0.23 0.00 0.00 178.00 178.88 2wdx n ARG 41 N -4.08 0.04 -0.04 0.86 1.74 -1.26 -4.43 116.66 109.49 2wdx n ARG 41 Ca -0.03 -0.01 -0.11 0.00 -0.77 0.00 0.00 57.85 56.94 2wdx n ARG 41 Cb 0.09 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 29.99 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 0.02 0.23 -0.60 -1.55 3.20 -1.72 -2.83 116.97 113.71 2wdx h TYR 42 Ca 0.00 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 2wdx h TYR 42 Cb 0.48 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 2wdx h TYR 42 CO 0.00 0.22 0.13 -0.07 -1.64 0.00 0.00 178.16 176.80 2wdx h LEU 43 N 0.17 0.90 -0.23 2.82 3.38 -1.80 -1.83 115.31 118.73 2wdx h LEU 43 Ca 0.06 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 57.90 2wdx h LEU 43 Cb 0.06 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 2wdx h LEU 43 CO -0.01 0.88 -0.12 0.78 0.09 0.00 0.00 178.44 180.06 2wdx h ASN 44 N 0.91 -0.40 -0.40 -0.43 2.35 -1.78 -1.99 115.58 113.83 2wdx h ASN 44 Ca 0.19 0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 55.93 2wdx h ASN 44 Cb 0.35 0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 2wdx h ASN 44 CO 0.00 -0.16 -0.12 -0.07 -1.65 0.00 0.00 177.43 175.44 2wdx h LEU 45 N -0.10 0.86 -1.26 1.61 4.07 -1.49 -2.09 115.31 116.90 2wdx h LEU 45 Ca 0.12 -0.27 -0.07 0.00 0.08 0.00 0.00 57.88 57.74 2wdx h LEU 45 Cb 0.28 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 2wdx h LEU 45 CO -0.29 0.99 -0.31 0.50 -1.08 0.00 0.00 178.44 178.25 2wdx h LYS 46 N 0.77 0.09 -0.52 1.13 3.64 -1.12 -3.19 116.57 117.38 2wdx h LYS 46 Ca 0.12 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2wdx h LYS 46 Cb 0.64 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2wdx h LYS 46 CO 0.04 0.40 0.00 1.28 -2.27 0.00 0.00 179.45 178.90 2wdx n LEU 47 N -4.14 3.60 -0.32 5.20 4.77 -0.77 -4.60 117.00 120.74 2wdx n LEU 47 Ca -0.02 -2.13 0.14 0.00 -0.03 0.00 0.00 56.01 53.97 2wdx n LEU 47 Cb 0.38 -0.39 0.50 0.00 -2.33 0.00 0.00 43.42 41.58 2wdx n LEU 47 CO 0.39 0.83 0.80 -2.11 -1.33 0.00 0.00 177.39 175.97 2wdx n ARG 48 N 0.92 1.19 -1.64 3.23 1.85 -0.81 -4.85 116.66 116.55 2wdx n ARG 48 Ca 0.19 -0.64 -0.40 0.00 -1.00 0.00 0.00 57.85 56.00 2wdx n ARG 48 Cb 0.59 -1.49 0.03 0.00 -1.05 0.00 0.00 32.46 30.54 2wdx n ARG 48 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wdx n GLY 49 N 1.24 -0.04 0.24 2.89 0.00 -1.26 -4.73 105.19 103.53 2wdx n GLY 49 Ca 0.16 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 2wdx n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdx h ALA 50 N 1.23 0.52 -2.27 4.61 0.00 -1.26 -3.43 119.26 118.67 2wdx h ALA 50 Ca -0.47 -0.52 -0.71 0.00 0.00 0.00 0.00 54.91 53.21 2wdx h ALA 50 Cb 1.34 -0.07 -0.20 0.00 0.00 0.00 0.00 17.79 18.85 2wdx h ALA 50 CO 0.55 0.69 -0.18 1.21 0.00 0.00 0.00 179.25 181.51 2wdx s ASN 51 N -6.95 6.18 0.00 0.00 3.04 -1.26 -3.62 114.94 112.33 2wdx s ASN 51 Ca -0.10 -0.98 0.13 0.00 0.04 0.00 0.00 52.86 51.95 2wdx s ASN 51 Cb 0.10 -2.23 0.66 0.00 -1.54 0.00 0.00 41.25 38.25 2wdx s ASN 51 CO 0.88 -0.69 1.30 -1.54 -3.04 0.00 0.00 177.10 174.01 2wdx n SER 52 N 5.61 0.00 0.29 -4.21 3.41 -1.26 -2.11 113.62 115.36 2wdx n SER 52 Ca -0.09 0.02 0.15 0.00 -0.26 0.00 0.00 58.87 58.69 2wdx n SER 52 Cb 0.45 -0.24 0.89 0.00 -0.26 0.00 0.00 64.21 65.05 2wdx n SER 52 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2wdx h ARG 53 N 0.00 0.00 -5.85 4.33 3.08 -1.92 -3.44 114.38 110.58 2wdx h ARG 53 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 2wdx h ARG 53 Cb 0.10 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 29.92 2wdx h ARG 53 CO 0.00 0.02 -0.74 -0.06 -1.07 0.00 0.00 179.97 178.12 2wdx s PHE 54 N -4.60 2.84 -0.03 3.04 2.99 -0.90 -5.11 117.98 116.22 2wdx s PHE 54 Ca -0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 56.93 56.59 2wdx s PHE 54 Cb 0.15 -1.75 0.01 0.00 0.00 0.00 0.00 43.02 41.42 2wdx s PHE 54 CO 0.56 0.08 0.07 -0.80 -0.00 0.00 0.00 175.22 175.13 2wdx s ASN 55 N -0.30 -0.07 0.31 1.36 -0.87 -1.22 -4.95 114.94 109.20 2wdx s ASN 55 Ca 0.03 0.14 0.04 0.00 -1.57 0.00 0.00 52.86 51.50 2wdx s ASN 55 Cb -0.13 0.15 -0.06 0.00 -0.02 0.00 0.00 41.25 41.19 2wdx s ASN 55 CO 0.03 -0.03 0.05 -0.83 -2.57 0.00 0.00 177.10 173.74 2wdx s GLY 56 N 0.02 2.00 -0.42 0.66 0.00 -1.26 -3.34 107.32 104.98 2wdx s GLY 56 Ca -0.00 -2.02 0.07 0.00 0.00 0.00 0.00 44.72 42.77 2wdx s GLY 56 CO 0.00 -1.80 0.53 1.18 0.00 0.00 0.00 173.10 173.02 2wdx n GLU 57 N -0.65 0.89 -1.88 2.90 -0.58 -1.26 -4.93 120.64 115.13 2wdx n GLU 57 Ca -0.03 -3.40 -0.35 0.00 -0.42 0.00 0.00 57.16 52.97 2wdx n GLU 57 Cb 0.66 -1.38 0.04 0.00 -0.57 0.00 0.00 31.44 30.20 2wdx n GLU 57 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 2wdx s PRO 58 N -1.24 2.85 0.24 3.49 0.02 -1.24 -4.88 135.00 134.24 2wdx s PRO 58 Ca 0.35 1.65 -0.06 0.00 0.02 0.00 0.00 61.00 62.96 2wdx s PRO 58 Cb 0.16 -1.93 0.23 0.00 0.02 0.00 0.00 34.50 32.97 2wdx s PRO 58 CO -0.11 -1.26 1.86 -0.44 -0.33 0.00 0.00 177.00 176.72 2wdx h ASP 59 N 0.49 1.11 -5.00 2.53 3.45 0.65 -3.45 116.42 116.20 2wdx h ASP 59 Ca -0.49 -0.10 -0.05 0.00 0.43 0.00 0.00 57.03 56.82 2wdx h ASP 59 Cb 1.28 -0.28 -0.17 0.00 -0.56 0.00 0.00 39.33 39.59 2wdx h ASP 59 CO 0.54 0.89 0.19 -0.72 -1.57 0.00 0.00 179.24 178.57 2wdx s TYR 60 N -5.82 -0.62 -0.19 4.55 1.13 -1.18 -4.03 117.35 111.20 2wdx s TYR 60 Ca -0.13 0.89 -0.05 0.00 -1.41 0.00 0.00 57.07 56.38 2wdx s TYR 60 Cb 0.17 0.45 -0.03 0.00 -1.10 0.00 0.00 41.96 41.45 2wdx s TYR 60 CO 0.83 -0.68 0.01 0.42 -2.51 0.00 0.00 175.55 173.62 2wdx s ILE 61 N -1.92 4.14 -0.49 -3.49 1.01 0.22 -3.25 121.20 117.41 2wdx s ILE 61 Ca -0.08 -0.26 -0.16 0.00 0.00 0.00 0.00 60.65 60.16 2wdx s ILE 61 Cb -0.00 -2.86 0.08 0.00 0.01 0.00 0.00 42.46 39.69 2wdx s ILE 61 CO 0.03 0.45 0.43 -2.28 0.00 0.00 0.00 174.94 173.57 2wdx s HIS 62 N 0.71 3.23 0.01 3.97 2.46 0.13 0.27 115.29 126.07 2wdx s HIS 62 Ca 0.00 -0.97 -0.30 0.00 0.47 0.00 0.00 55.06 54.26 2wdx s HIS 62 Cb -0.14 -3.31 -0.04 0.00 -0.13 0.00 0.00 32.58 28.96 2wdx s HIS 62 CO 0.02 -0.86 1.08 -0.51 -2.47 0.00 0.00 174.74 172.01 2wdx s LEU 63 N 1.71 4.36 -0.05 8.88 1.43 0.13 -1.21 118.68 133.93 2wdx s LEU 63 Ca 0.05 1.80 0.01 0.00 -1.03 0.00 0.00 54.13 54.96 2wdx s LEU 63 Cb -0.25 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.42 2wdx s LEU 63 CO 0.06 -0.37 -0.06 0.68 0.23 0.00 0.00 176.35 176.89 2wdx s VAL 64 N 1.16 0.66 -1.56 -1.59 -7.23 -1.22 -0.47 120.40 110.16 2wdx s VAL 64 Ca 0.55 -0.18 0.17 0.00 -1.81 0.00 0.00 61.98 60.70 2wdx s VAL 64 Cb -0.24 -0.68 0.01 0.00 0.56 0.00 0.00 36.38 36.02 2wdx s VAL 64 CO 0.28 0.26 0.88 0.61 -0.31 0.00 0.00 175.10 176.82 2wdx n GLY 65 N 4.15 -0.01 3.48 2.32 0.00 -1.21 -4.22 105.19 109.70 2wdx n GLY 65 Ca -0.22 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.89 -0.13 0.18 1.61 1.04 -1.26 -4.64 113.70 108.61 2wdx s SER 66 Ca 0.14 -0.69 -0.13 0.00 0.48 0.00 0.00 55.95 55.75 2wdx s SER 66 Cb 0.13 0.53 0.15 0.00 0.10 0.00 0.00 66.02 66.94 2wdx s SER 66 CO 0.40 -1.02 1.74 0.74 0.98 0.00 0.00 173.24 176.08 2wdx h THR 67 N 2.32 0.82 -0.84 2.02 2.02 -1.95 -1.30 112.91 116.00 2wdx h THR 67 Ca -0.29 -0.11 0.10 0.00 0.77 0.00 0.00 66.41 66.88 2wdx h THR 67 Cb 1.25 0.48 -0.06 0.00 -1.74 0.00 0.00 68.15 68.08 2wdx h THR 67 CO 0.40 0.06 0.55 -0.61 0.37 0.00 0.00 175.52 176.29 2wdx h GLN 68 N 0.32 0.77 -0.04 6.66 5.75 -1.99 -0.12 115.11 126.45 2wdx h GLN 68 Ca 0.23 -0.05 -0.15 0.00 -0.15 0.00 0.00 58.65 58.53 2wdx h GLN 68 Cb 0.25 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 2wdx h GLN 68 CO -0.24 0.51 -0.65 1.96 -2.65 0.00 0.00 178.83 177.75 2wdx h GLN 69 N 0.79 0.18 -0.67 1.69 4.20 -1.74 -1.97 115.11 117.59 2wdx h GLN 69 Ca 0.39 -0.14 -0.07 0.00 0.06 0.00 0.00 58.65 58.89 2wdx h GLN 69 Cb 0.45 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 2wdx h GLN 69 CO -0.16 0.77 0.14 0.28 -0.67 0.00 0.00 178.83 179.19 2wdx h VAL 70 N 0.13 1.26 0.05 -0.54 2.07 -0.34 -1.30 116.25 117.58 2wdx h VAL 70 Ca -0.01 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 2wdx h VAL 70 Cb 1.17 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.56 2wdx h VAL 70 CO 0.10 0.38 -0.02 0.00 0.02 0.00 0.00 177.57 178.04 2wdx h ALA 71 N 1.06 -0.07 -0.70 1.67 0.00 -0.85 -0.68 119.26 119.69 2wdx h ALA 71 Ca 0.21 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2wdx h ALA 71 Cb 0.40 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 2wdx h ALA 71 CO 0.01 -0.41 0.46 -0.44 0.00 0.00 0.00 179.25 178.87 2wdx h ASP 72 N -0.32 0.77 -0.41 0.00 3.32 -1.38 -1.23 116.42 117.16 2wdx h ASP 72 Ca -0.01 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 2wdx h ASP 72 Cb 0.29 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2wdx h ASP 72 CO 0.01 0.54 0.17 0.00 -1.72 0.00 0.00 179.24 178.24 2wdx h ALA 73 N 1.58 0.53 0.33 3.45 0.00 -1.15 -1.73 119.26 122.28 2wdx h ALA 73 Ca 0.27 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2wdx h ALA 73 Cb -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2wdx h ALA 73 CO -0.07 0.14 -0.16 0.28 0.00 0.00 0.00 179.25 179.44 2wdx h VAL 74 N 0.52 0.68 -0.89 0.00 2.07 -0.75 -3.10 116.25 114.78 2wdx h VAL 74 Ca 0.14 -0.42 0.15 0.00 0.82 0.00 0.00 66.70 67.39 2wdx h VAL 74 Cb 0.18 0.90 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 2wdx h VAL 74 CO -0.01 0.08 0.58 -0.33 0.02 0.00 0.00 177.57 177.91 2wdx h GLU 75 N -0.68 0.65 -0.83 1.57 5.08 -1.24 0.29 114.58 119.41 2wdx h GLU 75 Ca -0.05 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2wdx h GLU 75 Cb 0.48 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 2wdx h GLU 75 CO 0.07 0.43 0.43 1.49 -1.00 0.00 0.00 179.01 180.43 2wdx h GLU 76 N 0.67 1.17 -0.47 2.33 4.57 -1.33 -0.62 114.58 120.89 2wdx h GLU 76 Ca 0.45 -0.15 -0.13 0.00 -1.18 0.00 0.00 59.36 58.36 2wdx h GLU 76 Cb 0.76 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 2wdx h GLU 76 CO -0.21 0.87 -0.20 1.79 -1.18 0.00 0.00 179.01 180.09 2wdx h THR 77 N 1.17 1.27 -0.39 0.32 1.35 -0.39 -1.80 112.91 114.45 2wdx h THR 77 Ca 0.29 -1.35 -0.06 0.00 -0.55 0.00 0.00 66.41 64.74 2wdx h THR 77 Cb 0.07 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.59 2wdx h THR 77 CO -0.04 0.47 0.01 1.62 -0.25 0.00 0.00 175.52 177.32 2wdx h VAL 78 N 0.82 1.26 -0.61 6.82 3.04 -1.18 0.47 116.25 126.86 2wdx h VAL 78 Ca 0.11 -0.98 0.12 0.00 -1.01 0.00 0.00 66.70 64.94 2wdx h VAL 78 Cb 0.76 1.13 -0.12 0.00 -2.01 0.00 0.00 31.29 31.06 2wdx h VAL 78 CO 0.06 0.33 -0.24 -0.09 -1.01 0.00 0.00 177.57 176.62 2wdx h ARG 79 N 0.50 -0.08 -0.02 4.17 2.43 -0.91 -2.33 114.38 118.14 2wdx h ARG 79 Ca 0.11 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2wdx h ARG 79 Cb 0.46 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2wdx h ARG 79 CO 0.02 -0.05 -0.16 0.25 -1.51 0.00 0.00 179.97 178.51 2wdx n THR 80 N -5.44 0.00 0.00 0.20 -2.24 -0.69 -4.95 114.28 101.16 2wdx n THR 80 Ca 0.06 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 2wdx n THR 80 Cb 0.35 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 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 1.32 1.51 1.30 3.38 0.00 0.16 -4.95 105.19 107.92 2wdx n GLY 81 Ca 0.14 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 2wdx n GLY 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdx n LYS 82 N 0.00 0.00 -1.71 1.61 5.02 -0.98 -4.64 118.16 117.46 2wdx n LYS 82 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 2wdx n LYS 82 Cb 0.00 -0.52 -0.02 0.00 -0.02 0.00 0.00 35.03 34.46 2wdx n LYS 82 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2wdx n ARG 83 N 1.34 2.41 -4.71 1.97 0.63 -1.26 -4.73 116.66 112.30 2wdx n ARG 83 Ca 0.11 0.86 -0.30 0.00 -0.92 0.00 0.00 57.85 57.59 2wdx n ARG 83 Cb -0.02 -2.60 -0.13 0.00 0.45 0.00 0.00 32.46 30.15 2wdx n ARG 83 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2wdx s VAL 84 N 0.23 2.44 0.03 5.15 0.11 -1.26 -1.47 120.40 125.63 2wdx s VAL 84 Ca 0.69 -1.37 0.03 0.00 -2.93 0.00 0.00 61.98 58.39 2wdx s VAL 84 Cb -0.57 -2.01 -0.02 0.00 -1.53 0.00 0.00 36.38 32.25 2wdx s VAL 84 CO 0.46 0.30 -0.09 0.00 -3.33 0.00 0.00 175.10 172.43 2wdx s ALA 85 N -0.91 0.74 -0.08 1.54 0.00 -0.48 -4.74 121.76 117.84 2wdx s ALA 85 Ca 0.13 -0.67 -0.14 0.00 0.00 0.00 0.00 51.96 51.29 2wdx s ALA 85 Cb -0.10 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 2wdx s ALA 85 CO 0.04 0.09 0.34 0.08 0.00 0.00 0.00 175.76 176.31 2wdx s VAL 86 N -0.93 5.20 -0.12 0.00 1.01 -1.26 -0.57 120.40 123.73 2wdx s VAL 86 Ca -0.03 0.67 0.02 0.00 0.00 0.00 0.00 61.98 62.63 2wdx s VAL 86 Cb -0.07 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.67 2wdx s VAL 86 CO 0.01 0.51 -0.17 -0.60 0.00 0.00 0.00 175.10 174.84 2wdx s ARG 87 N -0.46 2.49 0.00 2.72 3.52 0.31 -4.91 118.95 122.62 2wdx s ARG 87 Ca 0.20 -0.66 0.00 0.00 -0.13 0.00 0.00 55.73 55.15 2wdx s ARG 87 Cb -0.15 -2.09 0.00 0.00 -1.56 0.00 0.00 34.95 31.15 2wdx s ARG 87 CO 0.09 -0.06 0.00 0.43 -0.81 0.00 0.00 175.30 174.94 2wdx n SER 88 N 4.22 0.00 0.13 -2.12 7.64 -1.26 0.37 113.62 122.60 2wdx n SER 88 Ca -0.19 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.82 2wdx n SER 88 Cb 0.51 0.00 0.36 0.00 -1.01 0.00 0.00 64.21 64.07 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 -0.05 0.23 0.00 -1.82 -3.44 103.07 97.98 2wdx h GLY 89 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2wdx h GLY 89 CO 0.00 0.00 -0.02 0.61 0.00 0.00 0.00 176.54 177.13 2wdx n GLY 90 N 1.27 0.24 0.77 4.60 0.00 -1.26 -4.54 105.19 106.26 2wdx n GLY 90 Ca 0.05 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.29 0.42 -1.68 1.61 8.25 -1.26 -0.77 115.22 119.50 2wdx n HIS 91 Ca -0.01 -0.14 -0.45 0.00 -0.26 0.00 0.00 57.72 56.85 2wdx n HIS 91 Cb 0.38 -0.18 -0.04 0.00 1.12 0.00 0.00 29.99 31.27 2wdx n HIS 91 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wdx n PHE 93 N 5.01 0.41 -4.66 0.00 3.72 -1.26 -4.66 117.46 116.02 2wdx n PHE 93 Ca 0.19 0.15 -0.29 0.00 -0.05 0.00 0.00 57.45 57.44 2wdx n PHE 93 Cb 0.32 -0.74 -0.10 0.00 -0.94 0.00 0.00 39.48 38.02 2wdx n PHE 93 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2wdx s GLU 94 N -3.12 2.03 0.00 -1.08 0.41 -1.26 -4.86 118.70 110.81 2wdx s GLU 94 Ca 0.08 -2.21 0.00 0.00 -0.41 0.00 0.00 54.97 52.42 2wdx s GLU 94 Cb 0.11 -1.50 0.00 0.00 -1.78 0.00 0.00 34.13 30.96 2wdx s GLU 94 CO 0.39 -0.20 0.65 -0.40 -0.49 0.00 0.00 175.26 175.22 2wdx n ASP 95 N -1.08 1.70 0.28 -0.19 3.85 -1.26 -4.54 116.55 115.32 2wdx n ASP 95 Ca -0.10 -1.79 0.14 0.00 -0.71 0.00 0.00 54.79 52.33 2wdx n ASP 95 Cb 0.67 -0.45 0.86 0.00 -1.35 0.00 0.00 41.12 40.85 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 0.15 0.00 0.00 2.11 0.04 -1.96 -3.12 116.94 114.16 2wdx h PHE 96 Ca 0.00 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.58 2wdx h PHE 96 Cb 0.65 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.77 2wdx h PHE 96 CO 0.00 0.00 -1.69 0.28 -0.60 0.00 0.00 178.31 176.30 2wdx n VAL 97 N -3.97 0.69 -3.43 -0.55 0.31 -1.26 -4.88 118.33 105.25 2wdx n VAL 97 Ca -0.03 -0.25 -0.44 0.00 -0.01 0.00 0.00 64.34 63.61 2wdx n VAL 97 Cb 0.10 -1.03 -0.03 0.00 -0.91 0.00 0.00 33.84 31.96 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 -5.31 6.54 0.20 4.52 1.01 -1.18 -4.85 116.67 117.60 2wdx s ASP 98 Ca -0.16 -2.99 -0.07 0.00 0.71 0.00 0.00 52.55 50.03 2wdx s ASP 98 Cb 0.05 -2.12 -0.02 0.00 1.01 0.00 0.00 42.92 41.83 2wdx s ASP 98 CO 0.27 -0.45 0.28 0.54 0.21 0.00 0.00 175.17 176.02 2wdx s ASN 99 N 1.53 0.06 0.11 0.27 4.22 -1.21 -3.43 114.94 116.49 2wdx s ASN 99 Ca 0.21 -1.10 0.18 0.00 -2.14 0.00 0.00 52.86 50.00 2wdx s ASN 99 Cb -0.12 0.46 0.76 0.00 1.28 0.00 0.00 41.25 43.63 2wdx s ASN 99 CO -0.08 -0.94 1.55 -2.65 -2.04 0.00 0.00 177.10 172.94 2wdx n PRO 100 N -0.28 0.08 0.01 3.55 -0.02 -1.25 -3.06 135.00 134.03 2wdx n PRO 100 Ca -0.02 0.34 0.11 0.00 -2.02 0.00 0.00 63.50 61.91 2wdx n PRO 100 Cb 0.64 -1.66 -0.08 0.00 -0.02 0.00 0.00 33.50 32.38 2wdx n PRO 100 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2wdx n ASP 101 N -1.82 0.48 -4.67 2.55 10.43 -1.26 -4.78 116.55 117.49 2wdx n ASP 101 Ca 0.03 -0.24 -0.43 0.00 2.57 0.00 0.00 54.79 56.72 2wdx n ASP 101 Cb 0.18 1.25 -0.02 0.00 1.84 0.00 0.00 41.12 44.37 2wdx n ASP 101 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2wdx s VAL 102 N -3.29 4.51 -0.09 2.53 1.01 -1.17 -4.65 120.40 119.25 2wdx s VAL 102 Ca -0.00 1.82 0.16 0.00 0.00 0.00 0.00 61.98 63.96 2wdx s VAL 102 Cb 0.14 -4.17 -0.23 0.00 0.00 0.00 0.00 36.38 32.11 2wdx s VAL 102 CO 0.85 -0.10 0.22 0.29 0.00 0.00 0.00 175.10 176.37 2wdx n LYS 103 N 5.95 0.93 -3.94 2.72 4.01 -0.54 -3.69 118.16 123.60 2wdx n LYS 103 Ca 0.12 -0.09 -0.24 0.00 -0.51 0.00 0.00 58.31 57.59 2wdx n LYS 103 Cb 0.46 -1.41 -0.17 0.00 -0.51 0.00 0.00 35.03 33.40 2wdx n LYS 103 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2wdx s VAL 104 N -2.81 0.68 -0.18 -0.18 1.01 -0.60 0.12 120.40 118.43 2wdx s VAL 104 Ca -0.07 -0.10 -0.12 0.00 0.00 0.00 0.00 61.98 61.68 2wdx s VAL 104 Cb 0.08 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.66 2wdx s VAL 104 CO 0.69 0.30 0.22 -0.63 0.00 0.00 0.00 175.10 175.68 2wdx s ILE 105 N 1.60 5.35 -0.43 2.22 1.01 -1.20 -1.37 121.20 128.37 2wdx s ILE 105 Ca 0.01 0.40 -0.20 0.00 0.00 0.00 0.00 60.65 60.86 2wdx s ILE 105 Cb -0.13 -3.56 0.02 0.00 0.01 0.00 0.00 42.46 38.80 2wdx s ILE 105 CO -0.05 0.41 0.57 -0.63 0.00 0.00 0.00 174.94 175.24 2wdx s ILE 106 N 0.45 4.92 -0.27 2.92 1.01 0.26 0.20 121.20 130.69 2wdx s ILE 106 Ca 0.13 -0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.62 2wdx s ILE 106 Cb -0.12 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 2wdx s ILE 106 CO 0.01 -0.54 0.18 -0.62 0.00 0.00 0.00 174.94 173.97 2wdx s ASP 107 N 1.94 6.02 -0.12 3.58 -1.08 -0.35 -0.53 116.67 126.13 2wdx s ASP 107 Ca 0.19 0.02 0.09 0.00 -0.52 0.00 0.00 52.55 52.32 2wdx s ASP 107 Cb -0.15 -2.11 0.47 0.00 -1.46 0.00 0.00 42.92 39.67 2wdx s ASP 107 CO 0.17 -0.02 1.24 0.23 0.52 0.00 0.00 175.17 177.31 2wdx n MET 108 N 4.85 3.14 -0.17 4.34 2.81 0.16 -3.40 117.12 128.85 2wdx n MET 108 Ca -0.14 -1.80 0.20 0.00 -1.81 0.00 0.00 57.70 54.15 2wdx n MET 108 Cb 0.52 -1.88 0.58 0.00 -0.71 0.00 0.00 33.22 31.73 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 2.34 0.25 0.61 7.83 0.02 -1.85 -1.46 113.55 121.30 2wdx h SER 109 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2wdx h SER 109 Cb 1.28 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2wdx h SER 109 CO 0.26 0.11 -0.13 0.18 -1.14 0.00 0.00 176.83 176.11 2wdx n LEU 110 N -4.43 0.26 -4.36 5.07 4.77 -1.26 -4.54 117.00 112.52 2wdx n LEU 110 Ca 0.16 0.20 -0.44 0.00 -0.03 0.00 0.00 56.01 55.89 2wdx n LEU 110 Cb 0.69 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2wdx n LEU 110 CO 0.34 0.05 1.10 0.18 -1.33 0.00 0.00 177.39 177.73 2wdx n LEU 111 N -1.27 5.50 -1.39 2.23 4.77 -0.55 -4.83 117.00 121.46 2wdx n LEU 111 Ca 0.11 -4.80 -0.05 0.00 -0.03 0.00 0.00 56.01 51.23 2wdx n LEU 111 Cb 0.30 -1.53 0.11 0.00 -2.33 0.00 0.00 43.42 39.97 2wdx n LEU 111 CO 0.27 1.12 0.23 0.35 -1.33 0.00 0.00 177.39 178.03 2wdx n THR 112 N 3.40 1.99 -2.45 -5.08 -2.24 -1.26 -0.35 114.28 108.28 2wdx n THR 112 Ca 0.30 -3.30 -0.40 0.00 -2.27 0.00 0.00 64.05 58.38 2wdx n THR 112 Cb 0.40 -0.27 -0.04 0.00 -2.10 0.00 0.00 70.33 68.32 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 -3.04 4.52 -0.10 -0.78 2.56 -1.26 -4.86 118.70 115.73 2wdx s GLU 113 Ca 0.41 1.79 -0.03 0.00 0.00 0.00 0.00 54.97 57.14 2wdx s GLU 113 Cb 0.38 -3.06 0.05 0.00 2.00 0.00 0.00 34.13 33.50 2wdx s GLU 113 CO -0.04 0.11 0.12 0.42 -0.56 0.00 0.00 175.26 175.30 2wdx s ILE 114 N -1.25 -0.18 -0.05 -3.70 1.01 -1.26 -1.25 121.20 114.53 2wdx s ILE 114 Ca 0.47 0.21 -0.30 0.00 0.00 0.00 0.00 60.65 61.04 2wdx s ILE 114 Cb -0.31 -0.35 0.08 0.00 0.01 0.00 0.00 42.46 41.89 2wdx s ILE 114 CO 0.40 0.02 0.74 0.00 0.00 0.00 0.00 174.94 176.10 2wdx s ALA 115 N 2.22 -1.79 0.26 9.38 0.00 -0.65 -5.00 121.76 126.19 2wdx s ALA 115 Ca 0.04 1.27 -0.30 0.00 0.00 0.00 0.00 51.96 52.97 2wdx s ALA 115 Cb -0.13 -0.02 -0.10 0.00 0.00 0.00 0.00 23.12 22.87 2wdx s ALA 115 CO -0.06 -0.41 1.37 -0.47 0.00 0.00 0.00 175.76 176.19 2wdx s TYR 116 N -1.53 3.08 -0.26 0.00 5.04 -1.26 -0.13 117.35 122.29 2wdx s TYR 116 Ca -0.07 1.18 0.03 0.00 -2.44 0.00 0.00 57.07 55.76 2wdx s TYR 116 Cb -0.00 -3.73 0.06 0.00 0.35 0.00 0.00 41.96 38.64 2wdx s TYR 116 CO 0.05 -2.27 -0.09 0.34 -1.34 0.00 0.00 175.55 172.24 2wdx s ASP 117 N 0.13 4.41 0.24 4.32 3.68 0.21 -4.84 116.67 124.82 2wdx s ASP 117 Ca 0.56 -1.44 -0.04 0.00 2.13 0.00 0.00 52.55 53.76 2wdx s ASP 117 Cb -0.40 -1.52 0.25 0.00 -1.45 0.00 0.00 42.92 39.81 2wdx s ASP 117 CO 0.45 -0.21 1.73 -0.65 0.13 0.00 0.00 175.17 176.62 2wdx h PRO 118 N 7.78 0.90 -0.03 4.34 0.11 -1.96 0.51 132.00 143.64 2wdx h PRO 118 Ca -0.18 -0.25 -0.05 0.00 0.11 0.00 0.00 66.00 65.64 2wdx h PRO 118 Cb 1.04 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 2wdx h PRO 118 CO 0.46 0.88 -0.21 0.66 -0.21 0.00 0.00 178.00 179.58 2wdx h SER 119 N 0.84 0.05 -0.01 -2.05 4.64 -1.95 -2.66 113.55 112.40 2wdx h SER 119 Ca 0.16 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2wdx h SER 119 Cb 0.46 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2wdx h SER 119 CO 0.02 0.26 -0.40 0.23 -0.87 0.00 0.00 176.83 176.06 2wdx n MET 120 N -4.27 1.69 -3.87 4.77 2.81 -1.03 -5.00 117.12 112.23 2wdx n MET 120 Ca -0.02 -0.69 -0.25 0.00 -1.81 0.00 0.00 57.70 54.93 2wdx n MET 120 Cb 0.28 -1.28 -0.00 0.00 -0.71 0.00 0.00 33.22 31.51 2wdx n MET 120 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2wdx n ASN 121 N -0.32 -1.10 -3.55 7.83 4.05 0.17 -4.95 115.26 117.40 2wdx n ASN 121 Ca 0.06 -0.97 -0.09 0.00 0.45 0.00 0.00 54.58 54.04 2wdx n ASN 121 Cb 0.33 -3.30 -0.02 0.00 1.23 0.00 0.00 39.78 38.02 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 -3.84 -1.69 -0.22 5.20 0.00 -0.91 -4.98 121.76 115.32 2wdx s ALA 122 Ca 0.06 0.62 -0.29 0.00 0.00 0.00 0.00 51.96 52.35 2wdx s ALA 122 Cb -0.02 0.62 0.01 0.00 0.00 0.00 0.00 23.12 23.73 2wdx s ALA 122 CO 0.87 -0.80 1.05 -0.06 0.00 0.00 0.00 175.76 176.83 2wdx s PHE 123 N -3.39 3.31 -0.10 0.00 0.40 -0.07 -0.62 117.98 117.51 2wdx s PHE 123 Ca 0.05 1.44 -0.30 0.00 -0.60 0.00 0.00 56.93 57.53 2wdx s PHE 123 Cb -0.01 -3.28 -0.02 0.00 0.51 0.00 0.00 43.02 40.21 2wdx s PHE 123 CO -0.07 -0.55 1.23 -1.17 0.70 0.00 0.00 175.22 175.36 2wdx s LEU 124 N 3.19 4.24 -0.20 -0.37 0.20 0.82 -0.55 118.68 126.01 2wdx s LEU 124 Ca 0.45 1.77 -0.01 0.00 0.69 0.00 0.00 54.13 57.03 2wdx s LEU 124 Cb -0.15 -3.55 0.05 0.00 -0.43 0.00 0.00 46.19 42.11 2wdx s LEU 124 CO 0.07 -0.66 -0.02 -0.63 -0.29 0.00 0.00 176.35 174.81 2wdx s ILE 125 N 2.77 1.06 0.42 6.68 1.01 0.73 -1.64 121.20 132.23 2wdx s ILE 125 Ca 0.55 -0.83 -0.20 0.00 0.00 0.00 0.00 60.65 60.18 2wdx s ILE 125 Cb -0.23 -1.39 -0.11 0.00 0.01 0.00 0.00 42.46 40.74 2wdx s ILE 125 CO 0.19 -0.08 0.92 -1.61 0.00 0.00 0.00 174.94 174.36 2wdx s GLU 126 N 1.62 4.20 0.61 2.79 2.02 -0.38 -1.89 118.70 127.67 2wdx s GLU 126 Ca -0.02 1.06 0.32 0.00 0.02 0.00 0.00 54.97 56.34 2wdx s GLU 126 Cb -0.17 -2.21 1.81 0.00 0.10 0.00 0.00 34.13 33.65 2wdx s GLU 126 CO -0.07 -0.01 2.14 -1.00 0.02 0.00 0.00 175.26 176.34 2wdx h PRO 127 N 1.95 0.00 0.00 0.39 0.13 -1.77 -2.67 132.00 130.03 2wdx h PRO 127 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2wdx h PRO 127 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2wdx h PRO 127 CO 0.62 0.00 -0.06 0.41 -0.23 0.00 0.00 178.00 178.74 2wdx n GLY 128 N -1.32 -1.57 3.75 1.56 0.00 0.52 -1.18 105.19 106.95 2wdx n GLY 128 Ca -0.00 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 2wdx n GLY 128 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wdx s ASN 129 N -3.70 5.13 0.23 1.61 0.01 -1.01 -4.80 114.94 112.41 2wdx s ASN 129 Ca 0.12 2.55 -0.09 0.00 -0.71 0.00 0.00 52.86 54.73 2wdx s ASN 129 Cb 0.16 -2.61 -0.07 0.00 0.41 0.00 0.00 41.25 39.13 2wdx s ASN 129 CO 0.58 -1.65 0.54 -0.89 -1.51 0.00 0.00 177.10 174.17 2wdx s THR 130 N -1.45 4.94 0.22 1.60 2.01 -1.26 -0.24 115.64 121.46 2wdx s THR 130 Ca 0.76 0.44 -0.08 0.00 0.31 0.00 0.00 61.69 63.12 2wdx s THR 130 Cb -0.35 -3.62 0.16 0.00 0.01 0.00 0.00 72.50 68.70 2wdx s THR 130 CO 0.39 -0.08 1.78 -0.07 -0.69 0.00 0.00 174.62 175.96 2wdx h LEU 131 N 2.52 0.46 -1.02 4.42 3.38 -0.45 -1.53 115.31 123.09 2wdx h LEU 131 Ca -0.47 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.50 2wdx h LEU 131 Cb 1.17 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 2wdx h LEU 131 CO 0.69 0.28 0.08 0.77 0.09 0.00 0.00 178.44 180.35 2wdx h SER 132 N 0.61 0.73 -0.51 -0.43 4.64 -1.75 -0.58 113.55 116.26 2wdx h SER 132 Ca 0.33 -0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.46 2wdx h SER 132 Cb 0.31 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 2wdx h SER 132 CO -0.24 0.75 0.14 -0.33 -0.87 0.00 0.00 176.83 176.28 2wdx h GLU 133 N 0.74 0.80 0.13 4.77 5.08 -1.71 -2.72 114.58 121.68 2wdx h GLU 133 Ca 0.16 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2wdx h GLU 133 Cb 0.34 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2wdx h GLU 133 CO 0.01 0.76 -0.20 0.28 -1.00 0.00 0.00 179.01 178.86 2wdx h VAL 134 N 0.69 0.56 -0.40 3.13 2.07 -0.66 -1.92 116.25 119.72 2wdx h VAL 134 Ca 0.16 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.70 2wdx h VAL 134 Cb 0.31 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2wdx h VAL 134 CO -0.00 0.00 0.23 1.88 0.02 0.00 0.00 177.57 179.70 2wdx h TYR 135 N -0.39 0.43 0.21 1.57 0.05 -1.12 -0.78 116.97 116.94 2wdx h TYR 135 Ca 0.02 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 2wdx h TYR 135 Cb 0.40 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.00 2wdx h TYR 135 CO -0.18 0.24 -0.10 1.49 -1.05 0.00 0.00 178.16 178.56 2wdx h GLU 136 N 0.46 -0.28 -0.48 4.88 4.57 -1.44 -0.53 114.58 121.76 2wdx h GLU 136 Ca 0.16 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.35 2wdx h GLU 136 Cb 0.02 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 2wdx h GLU 136 CO -0.08 -0.17 0.28 -0.22 -1.18 0.00 0.00 179.01 177.64 2wdx h LYS 137 N -0.30 0.66 -0.63 1.92 1.63 -1.15 -1.17 116.57 117.52 2wdx h LYS 137 Ca -0.03 -0.07 -0.05 0.00 -0.85 0.00 0.00 60.65 59.66 2wdx h LYS 137 Cb 0.23 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 2wdx h LYS 137 CO 0.05 0.49 0.20 -0.07 -3.45 0.00 0.00 179.45 176.67 2wdx h LEU 138 N 0.64 0.92 -0.17 5.20 4.07 -1.06 -0.15 115.31 124.76 2wdx h LEU 138 Ca 0.17 -0.21 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 2wdx h LEU 138 Cb 0.01 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.51 2wdx h LEU 138 CO -0.03 0.88 -0.04 0.22 -1.08 0.00 0.00 178.44 178.40 2wdx h TYR 139 N 0.91 0.36 -0.06 1.13 3.20 -0.88 -2.24 116.97 119.39 2wdx h TYR 139 Ca 0.20 -0.08 -0.05 0.00 3.14 0.00 0.00 58.73 61.95 2wdx h TYR 139 Cb 0.29 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.47 2wdx h TYR 139 CO 0.02 0.58 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.90 2wdx h LEU 140 N 0.03 0.25 -0.43 2.82 3.38 -1.16 -0.56 115.31 119.64 2wdx h LEU 140 Ca 0.04 -0.58 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 2wdx h LEU 140 Cb 0.46 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2wdx h LEU 140 CO 0.02 0.79 0.15 1.23 0.09 0.00 0.00 178.44 180.72 2wdx h GLY 141 N -0.28 0.70 0.00 0.83 0.00 -1.10 -3.40 103.07 99.82 2wdx h GLY 141 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2wdx h GLY 141 CO 0.03 0.37 0.00 0.79 0.00 0.00 0.00 176.54 177.74 2wdx n TRP 142 N -4.59 0.00 -3.34 5.60 8.01 -0.88 -5.05 117.44 117.19 2wdx n TRP 142 Ca 0.00 0.00 -0.16 0.00 -1.31 0.00 0.00 57.50 56.03 2wdx n TRP 142 Cb 0.17 0.00 0.08 0.00 -2.01 0.00 0.00 31.31 29.55 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 -2.39 -4.10 -0.99 5.15 -0.22 -4.67 115.26 108.03 2wdx n ASN 143 Ca 0.00 -0.59 -0.10 0.00 -0.60 0.00 0.00 54.58 53.29 2wdx n ASN 143 Cb 0.20 -4.90 -0.09 0.00 -0.53 0.00 0.00 39.78 34.46 2wdx n ASN 143 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2wdx s VAL 144 N -3.34 0.08 0.25 3.44 1.01 -1.08 -4.34 120.40 116.41 2wdx s VAL 144 Ca 0.04 -1.78 -0.17 0.00 0.00 0.00 0.00 61.98 60.07 2wdx s VAL 144 Cb -0.00 -2.05 0.01 0.00 0.00 0.00 0.00 36.38 34.33 2wdx s VAL 144 CO 0.69 -0.36 0.58 0.28 0.00 0.00 0.00 175.10 176.30 2wdx s THR 145 N -4.04 0.00 0.04 3.92 -1.32 0.03 -2.93 115.64 111.35 2wdx s THR 145 Ca 0.24 -1.14 0.09 0.00 -1.21 0.00 0.00 61.69 59.67 2wdx s THR 145 Cb 0.06 -2.02 -0.03 0.00 -1.51 0.00 0.00 72.50 69.00 2wdx s THR 145 CO 0.03 -0.02 -0.26 0.27 -2.21 0.00 0.00 174.62 172.43 2wdx s ILE 146 N -3.96 2.20 -1.39 5.08 -0.00 -1.26 -3.83 121.20 118.05 2wdx s ILE 146 Ca 0.16 -1.36 -0.11 0.00 -0.00 0.00 0.00 60.65 59.33 2wdx s ILE 146 Cb -0.03 -1.86 0.09 0.00 -0.00 0.00 0.00 42.46 40.66 2wdx s ILE 146 CO 0.06 0.37 2.18 -0.81 -0.00 0.00 0.00 174.94 176.74 2wdx n PRO 147 N 1.77 3.41 0.00 0.37 -0.04 -1.26 -4.90 135.00 134.36 2wdx n PRO 147 Ca -0.17 -3.01 0.00 0.00 -0.04 0.00 0.00 63.50 60.28 2wdx n PRO 147 Cb 0.52 -3.03 0.00 0.00 -0.04 0.00 0.00 33.50 30.95 2wdx n PRO 147 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wdx n GLY 148 N 3.29 1.88 3.59 0.55 0.00 -1.26 -3.60 105.19 109.64 2wdx n GLY 148 Ca 0.51 -2.04 -0.28 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.00 1.55 -0.15 -0.02 0.00 -0.83 -2.28 107.32 104.60 2wdx s GLY 149 Ca 0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 44.72 44.35 2wdx s GLY 149 CO 0.00 0.40 0.31 1.55 0.00 0.00 0.00 173.10 175.36 2wdx n VAL 150 N -4.53 1.71 -1.38 1.40 3.14 -1.26 -4.88 118.33 112.53 2wdx n VAL 150 Ca 0.04 -0.48 -0.51 0.00 -2.96 0.00 0.00 64.34 60.43 2wdx n VAL 150 Cb 0.56 -1.82 -0.12 0.00 -1.06 0.00 0.00 33.84 31.40 2wdx n VAL 150 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2wdx h GLY 152 N 10.98 -0.15 1.62 0.00 0.00 -1.97 -2.87 103.07 110.69 2wdx h GLY 152 Ca -0.11 0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2wdx h GLY 152 CO 1.19 -0.20 0.00 0.61 0.00 0.00 0.00 176.54 178.14 2wdx n GLY 153 N -1.43 -0.82 3.74 4.60 0.00 -1.26 -2.50 105.19 107.52 2wdx n GLY 153 Ca 0.04 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.62 3.20 0.21 1.61 1.01 -1.08 -4.78 120.40 117.95 2wdx s VAL 154 Ca 0.14 1.02 -0.12 0.00 0.00 0.00 0.00 61.98 63.02 2wdx s VAL 154 Cb 0.10 -3.65 -0.07 0.00 0.00 0.00 0.00 36.38 32.76 2wdx s VAL 154 CO 0.24 0.17 0.58 -0.83 0.00 0.00 0.00 175.10 175.26 2wdx s GLY 155 N 0.15 2.36 0.33 4.51 0.00 -1.26 -0.10 107.32 113.31 2wdx s GLY 155 Ca 0.55 -0.17 0.01 0.00 0.00 0.00 0.00 44.72 45.11 2wdx s GLY 155 CO 0.40 0.04 1.94 -2.08 0.00 0.00 0.00 173.10 173.40 2wdx h VAL 156 N 2.30 1.19 -0.27 1.40 2.07 -0.54 -2.92 116.25 119.47 2wdx h VAL 156 Ca -0.48 -0.51 0.03 0.00 0.82 0.00 0.00 66.70 66.57 2wdx h VAL 156 Cb 1.18 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 2wdx h VAL 156 CO 0.67 0.21 -0.26 1.23 0.02 0.00 0.00 177.57 179.45 2wdx h GLY 157 N 0.89 -1.65 1.99 2.17 0.00 -1.39 -2.68 103.07 102.40 2wdx h GLY 157 Ca 0.20 0.86 -0.19 0.00 0.00 0.00 0.00 47.33 48.20 2wdx h GLY 157 CO -0.03 -0.49 -0.90 -1.33 0.00 0.00 0.00 176.54 173.79 2wdx h GLY 158 N -0.12 0.00 0.86 4.60 0.00 -1.88 -3.38 103.07 103.15 2wdx h GLY 158 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 2wdx h GLY 158 CO -0.32 0.00 -0.09 0.84 0.00 0.00 0.00 176.54 176.97 2wdx h HIS 159 N 0.00 0.58 0.19 5.60 -0.00 -1.29 -1.21 115.15 119.02 2wdx h HIS 159 Ca -0.01 -0.13 -0.01 0.00 -0.00 0.00 0.00 60.37 60.21 2wdx h HIS 159 Cb 1.69 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 28.96 2wdx h HIS 159 CO 0.00 0.75 -0.09 0.82 -0.00 0.00 0.00 177.93 179.41 2wdx h ILE 160 N 0.25 0.85 0.00 6.26 2.04 -1.68 0.48 117.51 125.70 2wdx h ILE 160 Ca 0.06 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 2wdx h ILE 160 Cb 0.58 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 2wdx h ILE 160 CO 0.03 0.20 -0.10 0.00 0.00 0.00 0.00 178.15 178.28 2wdx n GLY 162 N -0.44 -1.06 1.38 0.00 0.00 -0.46 -0.91 105.19 103.71 2wdx n GLY 162 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.89 0.84 2.90 -0.02 0.00 -0.38 -3.97 105.19 105.46 2wdx n GLY 163 Ca 0.15 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.79 -2.31 3.84 -0.02 0.00 0.17 -4.72 105.19 101.36 2wdx n GLY 164 Ca 0.00 0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.41 -0.15 0.00 1.61 1.13 -1.26 -1.61 117.35 115.66 2wdx s TYR 165 Ca 0.52 -0.32 0.00 0.00 -1.41 0.00 0.00 57.07 55.87 2wdx s TYR 165 Cb -0.59 0.69 0.00 0.00 -1.10 0.00 0.00 41.96 40.96 2wdx s TYR 165 CO 0.54 -1.24 0.00 0.41 -2.51 0.00 0.00 175.55 172.75 2wdx n GLY 166 N -0.46 0.79 0.30 5.49 0.00 -0.96 -1.97 105.19 108.37 2wdx n GLY 166 Ca -0.04 -0.49 0.20 0.00 0.00 0.00 0.00 46.02 45.69 2wdx n GLY 166 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wdx h PRO 167 N 0.00 0.00 -0.02 1.61 0.11 -1.91 -1.16 132.00 130.64 2wdx h PRO 167 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2wdx h PRO 167 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2wdx h PRO 167 CO 0.00 0.00 -0.43 1.28 -0.21 0.00 0.00 178.00 178.64 2wdx n LEU 168 N -2.96 2.12 -0.35 2.35 4.77 -1.26 -4.57 117.00 117.11 2wdx n LEU 168 Ca -0.02 -0.78 0.07 0.00 -0.03 0.00 0.00 56.01 55.26 2wdx n LEU 168 Cb 0.11 -0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.44 2wdx n LEU 168 CO 0.20 0.39 1.20 0.28 -1.33 0.00 0.00 177.39 178.13 2wdx h SER 169 N 2.66 0.84 0.06 -1.43 0.02 -1.32 0.22 113.55 114.60 2wdx h SER 169 Ca 0.00 0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 2wdx h SER 169 Cb 0.78 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 2wdx h SER 169 CO 0.00 0.42 -0.09 0.03 -1.14 0.00 0.00 176.83 176.05 2wdx h ARG 170 N 0.90 0.09 0.17 3.45 3.08 -1.78 0.99 114.38 121.28 2wdx h ARG 170 Ca 0.49 -0.01 -0.35 0.00 0.07 0.00 0.00 59.98 60.18 2wdx h ARG 170 Cb 0.55 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2wdx h ARG 170 CO -0.29 0.18 -1.75 0.37 -1.07 0.00 0.00 179.97 177.41 2wdx h GLN 171 N 0.09 0.36 0.00 0.04 4.15 -0.62 0.19 115.11 119.32 2wdx h GLN 171 Ca 0.02 -0.62 0.00 0.00 0.77 0.00 0.00 58.65 58.82 2wdx h GLN 171 Cb 0.22 0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.14 2wdx h GLN 171 CO 0.01 1.28 0.00 1.19 -1.93 0.00 0.00 178.83 179.38 2wdx n PHE 172 N -3.56 0.00 0.00 3.99 3.72 -0.07 -4.74 117.46 116.80 2wdx n PHE 172 Ca -0.24 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 2wdx n PHE 172 Cb 1.07 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.61 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 0.59 -1.00 3.85 1.37 0.00 0.34 -4.85 105.19 105.49 2wdx n GLY 173 Ca 0.00 -1.97 -0.29 0.00 0.00 0.00 0.00 46.02 43.76 2wdx n GLY 173 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wdx s SER 174 N -4.00 5.88 0.33 1.61 0.15 -1.26 -3.93 113.70 112.47 2wdx s SER 174 Ca 0.00 0.06 0.08 0.00 0.70 0.00 0.00 55.95 56.79 2wdx s SER 174 Cb 0.00 -1.67 0.94 0.00 -1.71 0.00 0.00 66.02 63.58 2wdx s SER 174 CO 0.00 0.12 1.57 0.52 1.20 0.00 0.00 173.24 176.65 2wdx n VAL 175 N 0.04 -0.42 0.31 4.45 0.31 -0.64 0.11 118.33 122.48 2wdx n VAL 175 Ca -0.07 2.15 0.17 0.00 -0.01 0.00 0.00 64.34 66.57 2wdx n VAL 175 Cb 0.53 -3.23 0.77 0.00 -0.91 0.00 0.00 33.84 30.99 2wdx n VAL 175 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 2wdx h VAL 176 N 0.00 0.00 0.00 2.52 -1.51 -1.82 -1.09 116.25 114.35 2wdx h VAL 176 Ca 0.68 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 65.87 2wdx h VAL 176 Cb 1.54 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.88 2wdx h VAL 176 CO -0.89 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 175.92 2wdx n ASP 177 N -2.84 0.00 -0.01 4.19 10.43 0.12 -1.68 116.55 126.75 2wdx n ASP 177 Ca -0.00 -0.11 0.00 0.00 2.57 0.00 0.00 54.79 57.25 2wdx n ASP 177 Cb 0.21 -0.22 0.00 0.00 1.84 0.00 0.00 41.12 42.95 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 -1.22 0.00 -2.32 1.24 4.01 -0.42 -4.55 117.16 113.90 2wdx n TYR 178 Ca 0.10 -0.10 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 2wdx n TYR 178 Cb 0.12 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.12 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 -0.21 3.55 -0.24 7.72 2.96 -0.68 -0.66 118.68 131.11 2wdx s LEU 179 Ca 0.00 0.77 -0.02 0.00 -0.22 0.00 0.00 54.13 54.66 2wdx s LEU 179 Cb 0.00 -3.45 -0.18 0.00 0.50 0.00 0.00 46.19 43.06 2wdx s LEU 179 CO 0.00 -1.51 -0.14 0.00 -1.32 0.00 0.00 176.35 173.38 2wdx n TYR 180 N 9.12 0.23 -3.80 5.38 9.36 -0.84 -4.79 117.16 131.82 2wdx n TYR 180 Ca 0.16 0.05 -0.09 0.00 3.32 0.00 0.00 57.90 61.35 2wdx n TYR 180 Cb 0.48 -1.03 -0.06 0.00 -0.63 0.00 0.00 39.34 38.10 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 -2.52 -0.44 -0.01 2.98 0.00 -1.09 -0.43 121.76 120.25 2wdx s ALA 181 Ca -0.33 -0.46 -0.03 0.00 0.00 0.00 0.00 51.96 51.13 2wdx s ALA 181 Cb 0.09 0.60 -0.00 0.00 0.00 0.00 0.00 23.12 23.82 2wdx s ALA 181 CO 0.61 -0.58 0.06 0.54 0.00 0.00 0.00 175.76 176.39 2wdx s VAL 182 N -3.86 0.05 -0.24 0.00 0.11 -0.17 -1.42 120.40 114.87 2wdx s VAL 182 Ca 0.06 -0.40 -0.04 0.00 -2.93 0.00 0.00 61.98 58.67 2wdx s VAL 182 Cb 0.04 -0.22 0.00 0.00 -1.53 0.00 0.00 36.38 34.67 2wdx s VAL 182 CO -0.10 -0.22 -0.02 -0.70 -3.33 0.00 0.00 175.10 170.74 2wdx s GLU 183 N -0.67 3.21 -0.06 1.54 2.12 0.44 -1.17 118.70 124.11 2wdx s GLU 183 Ca -0.07 -0.75 0.04 0.00 0.36 0.00 0.00 54.97 54.55 2wdx s GLU 183 Cb -0.05 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.25 2wdx s GLU 183 CO 0.00 -0.30 -0.18 0.08 -0.54 0.00 0.00 175.26 174.32 2wdx s VAL 184 N 1.45 1.56 -0.37 3.70 1.01 0.45 0.13 120.40 128.35 2wdx s VAL 184 Ca 0.04 -0.76 -0.19 0.00 0.00 0.00 0.00 61.98 61.07 2wdx s VAL 184 Cb -0.15 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.87 2wdx s VAL 184 CO -0.02 0.45 0.54 -0.69 0.00 0.00 0.00 175.10 175.38 2wdx s VAL 185 N 0.25 4.98 0.15 2.92 1.01 0.46 -1.25 120.40 128.91 2wdx s VAL 185 Ca -0.10 0.30 0.09 0.00 0.00 0.00 0.00 61.98 62.26 2wdx s VAL 185 Cb -0.14 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 2wdx s VAL 185 CO 0.04 -0.29 -0.12 0.68 0.00 0.00 0.00 175.10 175.41 2wdx s VAL 186 N 2.47 3.11 -0.15 2.92 -7.23 -0.36 -1.44 120.40 119.73 2wdx s VAL 186 Ca 0.19 -1.55 -0.03 0.00 -1.81 0.00 0.00 61.98 58.78 2wdx s VAL 186 Cb -0.15 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.27 2wdx s VAL 186 CO 0.14 -0.01 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.17 2wdx s VAL 187 N -1.46 3.66 0.84 1.32 1.01 -1.26 -0.30 120.40 124.21 2wdx s VAL 187 Ca 0.22 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.62 2wdx s VAL 187 Cb -0.10 -2.59 0.01 0.00 0.00 0.00 0.00 36.38 33.70 2wdx s VAL 187 CO 0.13 0.50 0.52 0.59 0.00 0.00 0.00 175.10 176.85 2wdx n ASN 188 N 3.50 -1.45 -0.27 3.32 3.02 -0.50 -4.15 115.26 118.73 2wdx n ASN 188 Ca -0.18 0.47 0.13 0.00 -0.03 0.00 0.00 54.58 54.97 2wdx n ASN 188 Cb 0.53 -1.23 0.39 0.00 -0.61 0.00 0.00 39.78 38.85 2wdx n ASN 188 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2wdx h LYS 189 N -0.98 0.64 0.00 3.52 1.63 -1.93 -1.13 116.57 118.33 2wdx h LYS 189 Ca -0.45 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 2wdx h LYS 189 Cb 1.31 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 2wdx h LYS 189 CO 0.39 0.43 0.00 1.04 -3.45 0.00 0.00 179.45 177.85 2wdx n GLN 190 N -4.57 0.01 -0.31 1.90 3.00 -1.26 -4.86 117.38 111.29 2wdx n GLN 190 Ca 0.18 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 2wdx n GLN 190 Cb 0.51 -1.51 0.00 0.00 0.00 0.00 0.00 30.24 29.24 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 0.86 0.98 3.43 1.08 0.00 -0.43 -5.08 105.19 106.03 2wdx n GLY 191 Ca 0.05 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 2wdx n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdx s LYS 192 N -0.75 3.45 -0.10 1.61 -0.14 -1.26 -4.84 119.74 117.70 2wdx s LYS 192 Ca 0.00 -0.62 -0.20 0.00 -1.36 0.00 0.00 55.97 53.79 2wdx s LYS 192 Cb 0.00 -2.73 -0.04 0.00 -1.68 0.00 0.00 37.83 33.38 2wdx s LYS 192 CO 0.00 0.25 0.54 0.00 -0.76 0.00 0.00 175.35 175.38 2wdx s ALA 193 N 0.29 3.43 0.12 5.17 0.00 -1.26 -1.41 121.76 128.10 2wdx s ALA 193 Ca -0.07 -0.09 0.09 0.00 0.00 0.00 0.00 51.96 51.89 2wdx s ALA 193 Cb -0.15 -2.74 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 2wdx s ALA 193 CO 0.04 -0.03 -0.23 -0.98 0.00 0.00 0.00 175.76 174.56 2wdx s ARG 194 N 0.67 1.25 -0.14 0.00 1.70 0.59 -4.97 118.95 118.04 2wdx s ARG 194 Ca 0.29 -1.25 -0.13 0.00 -0.47 0.00 0.00 55.73 54.17 2wdx s ARG 194 Cb -0.16 -1.60 -0.05 0.00 -0.57 0.00 0.00 34.95 32.57 2wdx s ARG 194 CO 0.13 0.37 0.29 0.08 -1.08 0.00 0.00 175.30 175.09 2wdx s VAL 195 N -1.15 5.29 -0.05 4.99 1.01 -1.26 -1.22 120.40 128.01 2wdx s VAL 195 Ca 0.10 0.55 0.04 0.00 0.00 0.00 0.00 61.98 62.67 2wdx s VAL 195 Cb -0.10 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2wdx s VAL 195 CO 0.05 0.43 -0.16 -0.63 0.00 0.00 0.00 175.10 174.79 2wdx s ILE 196 N 0.19 1.36 -0.30 2.22 -1.09 -0.38 -5.00 121.20 118.20 2wdx s ILE 196 Ca 0.17 -0.66 -0.07 0.00 -2.23 0.00 0.00 60.65 57.86 2wdx s ILE 196 Cb -0.13 -1.19 0.01 0.00 -1.58 0.00 0.00 42.46 39.57 2wdx s ILE 196 CO 0.05 0.40 0.09 -0.69 -1.23 0.00 0.00 174.94 173.56 2wdx s VAL 197 N 0.18 4.01 -0.12 2.92 1.01 -1.26 -0.41 120.40 126.73 2wdx s VAL 197 Ca -0.07 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 2wdx s VAL 197 Cb -0.12 -3.09 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 2wdx s VAL 197 CO 0.03 0.05 -0.08 0.00 0.00 0.00 0.00 175.10 175.09 2wdx s ALA 198 N 1.50 2.85 0.44 5.51 0.00 -0.31 -4.86 121.76 126.88 2wdx s ALA 198 Ca 0.02 -0.87 0.06 0.00 0.00 0.00 0.00 51.96 51.17 2wdx s ALA 198 Cb -0.17 -1.32 -0.06 0.00 0.00 0.00 0.00 23.12 21.57 2wdx s ALA 198 CO 0.03 0.34 0.05 0.95 0.00 0.00 0.00 175.76 177.13 2wdx s THR 199 N -0.00 1.86 -1.78 0.00 -4.23 -1.26 -1.00 115.64 109.22 2wdx s THR 199 Ca -0.01 -1.93 0.21 0.00 -1.18 0.00 0.00 61.69 58.78 2wdx s THR 199 Cb -0.14 -2.79 0.52 0.00 1.34 0.00 0.00 72.50 71.43 2wdx s THR 199 CO 0.03 0.00 1.66 -1.14 -0.54 0.00 0.00 174.62 174.64 2wdx n ARG 200 N -1.10 0.53 -2.54 3.99 0.63 0.42 -4.45 116.66 114.14 2wdx n ARG 200 Ca -0.07 0.03 -0.41 0.00 -0.92 0.00 0.00 57.85 56.48 2wdx n ARG 200 Cb 0.66 -1.50 -0.04 0.00 0.45 0.00 0.00 32.46 32.04 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 -2.22 4.59 0.29 -0.14 2.02 -1.26 -4.94 118.70 117.05 2wdx s GLU 201 Ca 0.28 1.67 0.01 0.00 0.02 0.00 0.00 54.97 56.95 2wdx s GLU 201 Cb 0.14 -3.30 0.54 0.00 0.10 0.00 0.00 34.13 31.61 2wdx s GLU 201 CO 0.27 0.06 1.87 0.00 0.02 0.00 0.00 175.26 177.49 2wdx h ARG 202 N 5.36 1.00 0.00 1.61 -0.00 -2.00 -1.09 114.38 119.25 2wdx h ARG 202 Ca -0.44 -0.06 0.00 0.00 -0.50 0.00 0.00 59.98 58.98 2wdx h ARG 202 Cb 1.21 -0.22 0.00 0.00 0.00 0.00 0.00 29.97 30.96 2wdx h ARG 202 CO 0.73 0.66 0.00 -0.40 0.00 0.00 0.00 179.97 180.96 2wdx n ASP 203 N -4.54 0.00 -4.70 7.04 3.85 -1.26 -4.89 116.55 112.04 2wdx n ASP 203 Ca 0.16 -0.83 -0.42 0.00 -0.71 0.00 0.00 54.79 52.99 2wdx n ASP 203 Cb 0.27 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.01 2wdx n ASP 203 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2wdx s ASP 204 N -1.99 6.52 0.47 -1.12 -1.08 -0.42 -4.90 116.67 114.15 2wdx s ASP 204 Ca 0.39 2.64 0.15 0.00 -0.52 0.00 0.00 52.55 55.20 2wdx s ASP 204 Cb 0.18 -2.57 1.08 0.00 -1.46 0.00 0.00 42.92 40.15 2wdx s ASP 204 CO 0.30 -0.92 2.04 -0.65 0.52 0.00 0.00 175.17 176.46 2wdx h PRO 205 N 7.98 0.01 -0.85 4.34 0.11 -1.90 -1.84 132.00 139.86 2wdx h PRO 205 Ca -0.44 -0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.09 2wdx h PRO 205 Cb 1.21 -0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.92 2wdx h PRO 205 CO 0.94 0.13 -0.43 0.72 -0.21 0.00 0.00 178.00 179.14 2wdx n HIS 206 N -4.39 2.88 -0.01 0.65 8.25 -1.26 -4.82 115.22 116.51 2wdx n HIS 206 Ca -0.03 -2.43 0.16 0.00 -0.26 0.00 0.00 57.72 55.16 2wdx n HIS 206 Cb 0.19 -0.58 0.61 0.00 1.12 0.00 0.00 29.99 31.33 2wdx n HIS 206 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2wdx h HIS 207 N 2.17 0.18 -0.32 4.41 2.76 -1.55 -2.44 115.15 120.36 2wdx h HIS 207 Ca 0.42 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.49 2wdx h HIS 207 Cb 1.34 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 30.23 2wdx h HIS 207 CO 0.98 0.08 -0.25 -0.44 -1.30 0.00 0.00 177.93 176.99 2wdx h ASP 208 N 0.17 0.64 0.01 3.26 3.32 -1.88 -2.03 116.42 119.92 2wdx h ASP 208 Ca 0.24 -0.23 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 2wdx h ASP 208 Cb 0.75 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 2wdx h ASP 208 CO -0.04 0.88 -0.18 0.25 -1.72 0.00 0.00 179.24 178.43 2wdx h LEU 209 N 0.55 0.31 -0.21 1.55 6.46 -1.84 -1.47 115.31 120.66 2wdx h LEU 209 Ca 0.08 -0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 2wdx h LEU 209 Cb 0.73 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.57 2wdx h LEU 209 CO 0.06 0.51 0.06 -0.25 -0.62 0.00 0.00 178.44 178.20 2wdx h TRP 210 N 0.30 0.35 -0.24 1.25 7.01 -1.34 -3.20 115.95 120.07 2wdx h TRP 210 Ca 0.05 -0.04 -0.07 0.00 2.11 0.00 0.00 58.89 60.95 2wdx h TRP 210 Cb 0.50 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.44 2wdx h TRP 210 CO 0.01 0.42 -0.16 2.35 -2.79 0.00 0.00 178.44 178.28 2wdx h TRP 211 N 0.17 0.45 0.00 2.65 7.01 -0.92 -2.51 115.95 122.80 2wdx h TRP 211 Ca 0.07 -0.07 0.00 0.00 2.11 0.00 0.00 58.89 61.00 2wdx h TRP 211 Cb 0.24 -0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.18 2wdx h TRP 211 CO 0.00 0.56 0.00 0.00 -2.79 0.00 0.00 178.44 176.21 2wdx n ALA 212 N -2.48 1.81 -0.38 2.65 0.00 -0.59 -1.67 120.51 119.84 2wdx n ALA 212 Ca 0.00 -0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.44 2wdx n ALA 212 Cb 0.33 -1.28 0.19 0.00 0.00 0.00 0.00 19.45 18.69 2wdx n ALA 212 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2wdx n HIS 213 N -1.47 0.63 -1.45 0.00 8.25 -0.95 -2.61 115.22 117.62 2wdx n HIS 213 Ca 0.05 -0.59 -0.22 0.00 -0.26 0.00 0.00 57.72 56.70 2wdx n HIS 213 Cb 0.19 -0.10 0.13 0.00 1.12 0.00 0.00 29.99 31.33 2wdx n HIS 213 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2wdx n THR 214 N 0.34 3.07 0.00 1.59 5.66 -0.67 -4.08 114.28 120.20 2wdx n THR 214 Ca 0.15 -2.84 0.00 0.00 -3.05 0.00 0.00 64.05 58.30 2wdx n THR 214 Cb 0.56 -0.76 0.00 0.00 -1.55 0.00 0.00 70.33 68.57 2wdx n THR 214 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2wdx n GLY 215 N -1.00 -0.24 0.17 1.09 0.00 -1.02 -1.86 105.19 102.34 2wdx n GLY 215 Ca 0.51 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.66 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 -1.12 -3.41 103.07 98.52 2wdx h GLY 216 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wdx h GLY 216 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2wdx n GLY 217 N 1.11 -1.16 0.00 4.60 0.00 -0.09 -4.94 105.19 104.72 2wdx n GLY 217 Ca 0.04 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2wdx n GLY 217 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdx n GLY 218 N -0.80 -1.61 1.96 -0.02 0.00 -1.26 -4.17 105.19 99.29 2wdx n GLY 218 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 2wdx n GLY 218 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdx n GLY 219 N 0.00 1.60 0.06 -0.02 0.00 -1.26 -3.94 105.19 101.63 2wdx n GLY 219 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 2wdx n GLY 219 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2wdx h ASN 220 N 3.39 0.00 0.00 1.61 -0.26 -1.80 -3.26 115.58 115.26 2wdx h ASN 220 Ca 0.03 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 2wdx h ASN 220 Cb 0.54 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.80 2wdx h ASN 220 CO 0.14 0.64 -1.92 0.49 -1.06 0.00 0.00 177.43 175.72 2wdx n PHE 221 N -4.29 0.00 -2.17 1.19 3.72 -1.25 -4.61 117.46 110.05 2wdx n PHE 221 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2wdx n PHE 221 Cb 0.22 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.29 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 1.31 0.03 3.46 1.37 0.00 -1.26 -4.47 105.19 105.63 2wdx n GLY 222 Ca -0.04 -1.49 -0.40 0.00 0.00 0.00 0.00 46.02 44.10 2wdx n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdx s VAL 223 N -2.86 4.85 -0.18 1.61 1.01 -0.52 -4.85 120.40 119.47 2wdx s VAL 223 Ca 0.00 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.25 2wdx s VAL 223 Cb 0.00 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 2wdx s VAL 223 CO 0.00 -0.03 1.56 -0.69 0.00 0.00 0.00 175.10 175.95 2wdx s VAL 224 N 1.64 3.77 -0.10 2.92 1.01 -1.26 -0.40 120.40 127.97 2wdx s VAL 224 Ca 0.05 0.89 0.19 0.00 0.00 0.00 0.00 61.98 63.10 2wdx s VAL 224 Cb -0.18 -3.71 -0.28 0.00 0.00 0.00 0.00 36.38 32.21 2wdx s VAL 224 CO 0.08 -0.23 0.27 0.35 0.00 0.00 0.00 175.10 175.57 2wdx n THR 225 N 6.07 0.60 -3.81 3.92 -2.24 0.12 -4.72 114.28 114.22 2wdx n THR 225 Ca 0.18 -0.62 -0.12 0.00 -2.27 0.00 0.00 64.05 61.21 2wdx n THR 225 Cb 0.45 -0.21 -0.11 0.00 -2.10 0.00 0.00 70.33 68.35 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 -2.97 0.35 0.02 -0.78 1.02 -1.15 -4.41 119.74 111.82 2wdx s LYS 226 Ca -0.08 0.09 0.02 0.00 0.02 0.00 0.00 55.97 56.02 2wdx s LYS 226 Cb 0.10 0.16 -0.04 0.00 -0.52 0.00 0.00 37.83 37.53 2wdx s LYS 226 CO 0.81 -0.06 0.00 0.71 -0.92 0.00 0.00 175.35 175.89 2wdx s TYR 227 N -0.38 3.05 -0.16 3.18 1.51 -0.79 -0.42 117.35 123.35 2wdx s TYR 227 Ca -0.05 0.05 0.01 0.00 -1.01 0.00 0.00 57.07 56.07 2wdx s TYR 227 Cb -0.03 -1.64 0.03 0.00 -0.11 0.00 0.00 41.96 40.21 2wdx s TYR 227 CO 0.01 0.46 -0.14 -1.58 -1.11 0.00 0.00 175.55 173.19 2wdx s TRP 228 N -1.14 2.31 0.10 2.71 0.51 -0.51 -0.19 118.94 122.73 2wdx s TRP 228 Ca 0.21 -1.35 0.05 0.00 -2.12 0.00 0.00 56.10 52.88 2wdx s TRP 228 Cb -0.12 -1.65 -0.04 0.00 -0.81 0.00 0.00 33.47 30.85 2wdx s TRP 228 CO 0.12 -0.70 0.03 -1.64 -0.51 0.00 0.00 176.95 174.25 2wdx s MET 229 N 1.44 2.66 0.00 4.98 -1.94 0.29 -1.99 119.30 124.73 2wdx s MET 229 Ca 0.04 -0.82 0.00 0.00 -1.71 0.00 0.00 55.69 53.19 2wdx s MET 229 Cb -0.13 -2.58 0.00 0.00 2.01 0.00 0.00 34.83 34.12 2wdx s MET 229 CO -0.11 0.53 0.00 -2.13 -0.01 0.00 0.00 175.02 173.31 2wdx n ARG 230 N 0.39 0.00 -1.49 2.03 0.63 0.16 -0.90 116.66 117.49 2wdx n ARG 230 Ca -0.10 0.00 -0.46 0.00 -0.92 0.00 0.00 57.85 56.37 2wdx n ARG 230 Cb 0.52 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 33.41 2wdx n ARG 230 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2wdx n VAL 231 N 0.00 2.00 0.07 5.15 0.31 0.20 -4.51 118.33 121.54 2wdx n VAL 231 Ca 0.00 -0.50 -0.03 0.00 -0.01 0.00 0.00 64.34 63.80 2wdx n VAL 231 Cb 0.00 -0.47 0.20 0.00 -0.91 0.00 0.00 33.84 32.67 2wdx n VAL 231 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2wdx h PRO 232 N 1.45 0.30 0.00 5.55 0.13 -1.90 -3.47 132.00 134.06 2wdx h PRO 232 Ca -0.33 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2wdx h PRO 232 Cb 1.39 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 2wdx h PRO 232 CO 0.59 0.66 0.00 0.39 -0.23 0.00 0.00 178.00 179.41 2wdx n GLU 233 N -4.03 1.55 -4.01 0.86 4.71 -1.26 -5.00 120.64 113.47 2wdx n GLU 233 Ca -0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 57.16 56.82 2wdx n GLU 233 Cb 0.48 0.00 -0.15 0.00 -1.01 0.00 0.00 31.44 30.76 2wdx n GLU 233 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2wdx s ASP 234 N -2.31 4.30 0.00 1.62 2.15 -1.26 -4.97 116.67 116.20 2wdx s ASP 234 Ca 0.00 -1.46 0.11 0.00 0.43 0.00 0.00 52.55 51.63 2wdx s ASP 234 Cb 0.00 -1.42 0.25 0.00 -0.30 0.00 0.00 42.92 41.45 2wdx s ASP 234 CO 0.00 -0.24 1.15 1.33 -0.17 0.00 0.00 175.17 177.24 2wdx n VAL 235 N 4.49 0.72 -1.79 1.11 0.24 -1.26 -5.10 118.33 116.75 2wdx n VAL 235 Ca -0.10 -0.86 0.00 0.00 -2.04 0.00 0.00 64.34 61.34 2wdx n VAL 235 Cb 0.43 0.70 0.00 0.00 -1.47 0.00 0.00 33.84 33.50 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 0.58 0.35 1.92 7.63 0.00 -1.26 -4.41 105.19 109.99 2wdx n GLY 236 Ca 0.11 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 11.25 2.61 -3.25 1.61 1.74 -1.26 -4.97 116.66 124.38 2wdx n ARG 237 Ca 0.00 -3.73 -0.45 0.00 -0.77 0.00 0.00 57.85 52.90 2wdx n ARG 237 Cb 0.00 -1.86 -0.05 0.00 -1.02 0.00 0.00 32.46 29.52 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 -3.47 6.18 0.52 0.55 3.04 -1.26 -4.94 114.94 115.55 2wdx s ASN 238 Ca 0.42 -1.55 0.33 0.00 0.04 0.00 0.00 52.86 52.10 2wdx s ASN 238 Cb 0.38 -2.24 1.47 0.00 -1.54 0.00 0.00 41.25 39.33 2wdx s ASN 238 CO -0.01 -0.90 1.80 -0.65 -3.04 0.00 0.00 177.10 174.30 2wdx h PRO 239 N 8.96 0.06 0.00 0.43 0.11 -1.98 -1.08 132.00 138.51 2wdx h PRO 239 Ca -0.29 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2wdx h PRO 239 Cb 1.10 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2wdx h PRO 239 CO 1.03 0.04 0.00 0.39 -0.21 0.00 0.00 178.00 179.25 2wdx n GLU 240 N -4.27 0.05 -0.02 1.05 1.02 -1.26 -2.14 120.64 115.07 2wdx n GLU 240 Ca 0.25 0.21 0.01 0.00 -0.02 0.00 0.00 57.16 57.61 2wdx n GLU 240 Cb 1.16 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 31.10 2wdx n GLU 240 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2wdx n ARG 241 N -1.45 2.35 0.13 3.49 1.74 -0.41 -4.63 116.66 117.87 2wdx n ARG 241 Ca 0.05 -1.47 0.13 0.00 -0.77 0.00 0.00 57.85 55.78 2wdx n ARG 241 Cb 0.17 -0.98 0.37 0.00 -1.02 0.00 0.00 32.46 31.00 2wdx n ARG 241 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2wdx h LEU 242 N 0.00 0.00 -8.22 0.55 3.38 -1.43 -3.46 115.31 106.13 2wdx h LEU 242 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2wdx h LEU 242 Cb 0.64 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.24 2wdx h LEU 242 CO 0.00 0.00 -0.67 -0.76 0.09 0.00 0.00 178.44 177.10 2wdx s LEU 243 N -4.90 2.45 0.66 1.67 1.43 -1.26 0.58 118.68 119.31 2wdx s LEU 243 Ca 0.09 -0.97 -0.17 0.00 -1.03 0.00 0.00 54.13 52.06 2wdx s LEU 243 Cb 0.11 0.22 0.00 0.00 0.03 0.00 0.00 46.19 46.54 2wdx s LEU 243 CO 0.60 -0.59 1.22 -2.16 0.23 0.00 0.00 176.35 175.65 2wdx s PRO 244 N -3.80 2.54 -0.26 1.29 0.04 -1.25 -4.69 135.00 128.88 2wdx s PRO 244 Ca 0.06 1.84 -0.16 0.00 0.04 0.00 0.00 61.00 62.78 2wdx s PRO 244 Cb 0.07 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.71 2wdx s PRO 244 CO -0.10 -1.54 0.45 0.21 0.04 0.00 0.00 177.00 176.05 2wdx s LYS 245 N -3.59 4.06 0.49 4.56 2.20 -1.26 -0.78 119.74 125.42 2wdx s LYS 245 Ca 0.77 0.20 -0.23 0.00 -0.36 0.00 0.00 55.97 56.35 2wdx s LYS 245 Cb -0.31 -3.64 -0.06 0.00 -1.51 0.00 0.00 37.83 32.31 2wdx s LYS 245 CO 0.40 -0.28 1.26 -1.25 -0.36 0.00 0.00 175.35 175.11 2wdx s PRO 246 N 2.08 3.50 0.20 4.03 0.04 -1.26 -4.96 135.00 138.63 2wdx s PRO 246 Ca 0.19 2.00 -0.30 0.00 0.04 0.00 0.00 61.00 62.92 2wdx s PRO 246 Cb -0.16 -2.36 -0.16 0.00 0.04 0.00 0.00 34.50 31.86 2wdx s PRO 246 CO 0.09 -0.82 0.82 -2.30 0.04 0.00 0.00 177.00 174.82 2wdx n PRO 247 N -0.68 0.55 -0.08 0.56 -0.02 -1.26 -4.86 135.00 129.22 2wdx n PRO 247 Ca 0.08 0.19 -0.10 0.00 -2.02 0.00 0.00 63.50 61.66 2wdx n PRO 247 Cb 0.46 -1.43 -0.02 0.00 -0.02 0.00 0.00 33.50 32.49 2wdx n PRO 247 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wdx h ALA 248 N 1.88 0.34 -2.48 3.55 0.00 -1.97 -3.41 119.26 117.17 2wdx h ALA 248 Ca -0.36 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.35 2wdx h ALA 248 Cb 1.40 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.94 2wdx h ALA 248 CO 0.61 -0.15 -0.55 0.95 0.00 0.00 0.00 179.25 180.11 2wdx s THR 249 N -6.00 0.10 -0.05 0.00 -4.23 -1.26 -1.68 115.64 102.52 2wdx s THR 249 Ca -0.13 -1.73 -0.02 0.00 -1.18 0.00 0.00 61.69 58.63 2wdx s THR 249 Cb 0.09 -1.94 0.04 0.00 1.34 0.00 0.00 72.50 72.02 2wdx s THR 249 CO 0.71 -0.45 0.09 -0.22 -0.54 0.00 0.00 174.62 174.21 2wdx s LEU 250 N -3.01 0.75 -0.30 4.79 2.96 -0.27 -2.16 118.68 121.43 2wdx s LEU 250 Ca 0.21 0.18 -0.22 0.00 -0.22 0.00 0.00 54.13 54.07 2wdx s LEU 250 Cb 0.06 0.13 -0.01 0.00 0.50 0.00 0.00 46.19 46.88 2wdx s LEU 250 CO 0.00 -0.16 0.71 -0.22 -1.32 0.00 0.00 176.35 175.37 2wdx s LEU 251 N 1.32 4.11 0.20 -0.68 2.96 0.10 -0.63 118.68 126.06 2wdx s LEU 251 Ca -0.07 0.59 0.11 0.00 -0.22 0.00 0.00 54.13 54.54 2wdx s LEU 251 Cb -0.12 -2.95 -0.04 0.00 0.50 0.00 0.00 46.19 43.57 2wdx s LEU 251 CO -0.04 -0.53 -0.19 0.42 -1.32 0.00 0.00 176.35 174.69 2wdx s THR 252 N 2.76 2.65 -0.28 3.68 -4.23 -0.15 -0.89 115.64 119.19 2wdx s THR 252 Ca 0.29 -1.96 -0.20 0.00 -1.18 0.00 0.00 61.69 58.63 2wdx s THR 252 Cb -0.15 -2.30 0.09 0.00 1.34 0.00 0.00 72.50 71.48 2wdx s THR 252 CO 0.11 -0.16 0.80 -0.55 -0.54 0.00 0.00 174.62 174.28 2wdx s SER 253 N -2.85 -0.74 -0.26 3.99 0.15 -0.66 -0.99 113.70 112.34 2wdx s SER 253 Ca 0.23 1.29 -0.03 0.00 0.70 0.00 0.00 55.95 58.14 2wdx s SER 253 Cb -0.08 1.31 0.02 0.00 -1.71 0.00 0.00 66.02 65.56 2wdx s SER 253 CO 0.12 -0.21 -0.02 0.28 1.20 0.00 0.00 173.24 174.61 2wdx s THR 254 N 0.94 3.15 0.02 6.45 -1.32 -1.26 0.06 115.64 123.68 2wdx s THR 254 Ca -0.04 -0.97 -0.30 0.00 -1.21 0.00 0.00 61.69 59.16 2wdx s THR 254 Cb -0.05 -2.63 -0.04 0.00 -1.51 0.00 0.00 72.50 68.28 2wdx s THR 254 CO -0.10 0.14 1.03 -0.69 -2.21 0.00 0.00 174.62 172.80 2wdx s VAL 255 N 1.36 4.66 0.10 5.08 1.01 -0.43 -4.46 120.40 127.72 2wdx s VAL 255 Ca 0.00 1.92 0.06 0.00 0.00 0.00 0.00 61.98 63.96 2wdx s VAL 255 Cb -0.17 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 2wdx s VAL 255 CO -0.02 0.15 -0.03 0.28 0.00 0.00 0.00 175.10 175.48 2wdx s THR 256 N 1.00 3.83 0.00 3.92 -1.32 -0.41 0.56 115.64 123.21 2wdx s THR 256 Ca 0.53 -1.08 0.02 0.00 -1.21 0.00 0.00 61.69 59.95 2wdx s THR 256 Cb -0.23 -2.82 -0.01 0.00 -1.51 0.00 0.00 72.50 67.93 2wdx s THR 256 CO 0.28 0.11 -0.07 -0.36 -2.21 0.00 0.00 174.62 172.37 2wdx s PHE 257 N -1.30 0.61 -0.31 9.09 0.40 -0.46 -1.45 117.98 124.57 2wdx s PHE 257 Ca 0.25 -0.18 -0.12 0.00 -0.60 0.00 0.00 56.93 56.28 2wdx s PHE 257 Cb -0.11 -0.39 -0.03 0.00 0.51 0.00 0.00 43.02 42.99 2wdx s PHE 257 CO 0.17 -0.02 0.21 0.34 0.70 0.00 0.00 175.22 176.63 2wdx s ASP 258 N -0.42 6.03 0.28 1.36 3.68 -1.09 -4.49 116.67 122.02 2wdx s ASP 258 Ca 0.00 -0.22 -0.01 0.00 2.13 0.00 0.00 52.55 54.45 2wdx s ASP 258 Cb -0.04 -2.13 0.47 0.00 -1.45 0.00 0.00 42.92 39.78 2wdx s ASP 258 CO -0.00 -0.14 1.89 -0.50 0.13 0.00 0.00 175.17 176.54 2wdx h TRP 259 N 8.43 1.14 -0.52 -5.34 4.06 -1.94 -2.09 115.95 119.69 2wdx h TRP 259 Ca -0.33 0.03 0.09 0.00 2.06 0.00 0.00 58.89 60.73 2wdx h TRP 259 Cb 1.17 -0.37 -0.07 0.00 -1.00 0.00 0.00 29.16 28.89 2wdx h TRP 259 CO 0.71 0.57 0.13 0.00 -3.56 0.00 0.00 178.44 176.29 2wdx h ALA 260 N 1.49 0.61 -0.01 1.49 0.00 -2.01 -1.68 119.26 119.14 2wdx h ALA 260 Ca 0.43 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.30 2wdx h ALA 260 Cb 0.22 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2wdx h ALA 260 CO -0.17 -0.28 -0.62 0.78 0.00 0.00 0.00 179.25 178.95 2wdx h GLY 261 N 0.27 0.05 -2.58 0.00 0.00 -1.93 -3.46 103.07 95.42 2wdx h GLY 261 Ca 0.26 -0.06 -0.55 0.00 0.00 0.00 0.00 47.33 46.98 2wdx h GLY 261 CO -0.32 0.06 0.58 -0.29 0.00 0.00 0.00 176.54 176.57 2wdx s MET 262 N -3.63 2.96 0.14 4.80 0.00 -0.63 -4.91 119.30 118.02 2wdx s MET 262 Ca -0.02 2.19 0.00 0.00 0.00 0.00 0.00 55.69 57.86 2wdx s MET 262 Cb 0.13 -2.13 -0.04 0.00 0.00 0.00 0.00 34.83 32.78 2wdx s MET 262 CO 0.77 -1.32 0.03 0.95 0.00 0.00 0.00 175.02 175.45 2wdx s THR 263 N -1.33 0.33 0.29 10.11 -4.23 -1.26 -4.98 115.64 114.57 2wdx s THR 263 Ca 0.75 -1.93 0.04 0.00 -1.18 0.00 0.00 61.69 59.37 2wdx s THR 263 Cb -0.40 -2.02 0.28 0.00 1.34 0.00 0.00 72.50 71.71 2wdx s THR 263 CO 0.45 -0.53 1.74 -0.08 -0.54 0.00 0.00 174.62 175.67 2wdx h GLU 264 N 2.83 0.56 0.35 3.99 4.81 -1.98 0.55 114.58 125.70 2wdx h GLU 264 Ca -0.36 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.82 2wdx h GLU 264 Cb 1.19 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.45 2wdx h GLU 264 CO 0.61 0.37 -0.17 0.00 -0.73 0.00 0.00 179.01 179.10 2wdx h ALA 265 N 1.66 -0.47 -0.09 2.92 0.00 -1.98 -0.29 119.26 121.00 2wdx h ALA 265 Ca 0.56 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.30 2wdx h ALA 265 Cb 0.95 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2wdx h ALA 265 CO -0.44 -0.60 -0.00 0.00 0.00 0.00 0.00 179.25 178.21 2wdx h ALA 266 N -0.31 0.08 -0.21 0.00 0.00 -1.83 -0.15 119.26 116.83 2wdx h ALA 266 Ca -0.05 0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.94 2wdx h ALA 266 Cb 0.52 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 2wdx h ALA 266 CO 0.08 -0.47 -0.42 0.35 0.00 0.00 0.00 179.25 178.79 2wdx h PHE 267 N 0.03 -1.20 -0.77 0.00 3.57 0.06 -1.26 116.94 117.37 2wdx h PHE 267 Ca 0.04 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.61 2wdx h PHE 267 Cb 0.05 0.56 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 2wdx h PHE 267 CO -0.12 -0.46 0.50 1.03 -2.23 0.00 0.00 178.31 177.03 2wdx h SER 268 N -0.44 0.86 -0.42 0.41 0.87 -0.93 -2.46 113.55 111.43 2wdx h SER 268 Ca 0.09 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.65 2wdx h SER 268 Cb 0.61 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 2wdx h SER 268 CO -0.44 0.62 0.25 -0.09 -0.53 0.00 0.00 176.83 176.64 2wdx h ARG 269 N 1.02 0.50 -0.45 2.24 2.43 -0.71 -1.72 114.38 117.69 2wdx h ARG 269 Ca 0.29 -0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.51 2wdx h ARG 269 Cb -0.09 -0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.27 2wdx h ARG 269 CO -0.07 0.33 -0.02 1.25 -1.51 0.00 0.00 179.97 179.95 2wdx h LEU 270 N 0.51 -0.22 -0.43 3.80 5.85 -0.79 -0.74 115.31 123.29 2wdx h LEU 270 Ca 0.16 0.11 -0.18 0.00 0.84 0.00 0.00 57.88 58.82 2wdx h LEU 270 Cb -0.01 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2wdx h LEU 270 CO -0.07 -0.07 -0.75 -0.07 -0.34 0.00 0.00 178.44 177.14 2wdx h LEU 271 N 0.09 0.31 0.82 2.25 4.07 -1.27 -0.99 115.31 120.59 2wdx h LEU 271 Ca 0.22 -0.21 -0.04 0.00 0.08 0.00 0.00 57.88 57.93 2wdx h LEU 271 Cb 0.33 -0.09 0.01 0.00 1.08 0.00 0.00 40.66 41.99 2wdx h LEU 271 CO -0.38 0.95 -0.39 0.03 -1.08 0.00 0.00 178.44 177.56 2wdx h ARG 272 N 0.16 -1.06 -0.89 1.13 3.08 -1.16 -1.22 114.38 114.42 2wdx h ARG 272 Ca -0.03 0.07 0.16 0.00 0.07 0.00 0.00 59.98 60.26 2wdx h ARG 272 Cb 1.33 0.24 -0.16 0.00 0.08 0.00 0.00 29.97 31.46 2wdx h ARG 272 CO 0.12 -0.70 -0.29 -0.91 -1.07 0.00 0.00 179.97 177.12 2wdx h ASN 273 N -1.13 -1.06 0.30 7.04 -0.26 -1.06 -0.08 115.58 119.33 2wdx h ASN 273 Ca -0.11 0.28 -0.01 0.00 -0.56 0.00 0.00 56.30 55.89 2wdx h ASN 273 Cb 0.85 0.62 0.00 0.00 -1.06 0.00 0.00 38.32 38.73 2wdx h ASN 273 CO 0.18 -0.30 -0.15 -0.74 -1.06 0.00 0.00 177.43 175.37 2wdx h HIS 274 N -0.02 -0.38 -0.38 1.19 2.76 -1.17 -0.18 115.15 116.97 2wdx h HIS 274 Ca 0.38 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.56 2wdx h HIS 274 Cb 0.63 0.12 -0.03 0.00 1.55 0.00 0.00 27.41 29.68 2wdx h HIS 274 CO -0.74 -0.04 0.21 0.78 -1.30 0.00 0.00 177.93 176.84 2wdx h GLY 275 N -0.78 0.53 1.47 5.26 0.00 -1.11 0.03 103.07 108.47 2wdx h GLY 275 Ca -0.04 -0.16 -0.19 0.00 0.00 0.00 0.00 47.33 46.94 2wdx h GLY 275 CO 0.07 0.13 -0.72 1.05 0.00 0.00 0.00 176.54 177.07 2wdx h GLU 276 N 0.43 0.53 -0.32 4.80 4.11 -1.05 -0.18 114.58 122.90 2wdx h GLU 276 Ca 0.16 -0.42 0.07 0.00 0.07 0.00 0.00 59.36 59.24 2wdx h GLU 276 Cb 0.03 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.28 2wdx h GLU 276 CO -0.09 1.04 -0.26 2.35 0.07 0.00 0.00 179.01 182.13 2wdx h TRP 277 N 0.37 -0.69 -0.10 2.06 7.01 -0.88 -1.46 115.95 122.25 2wdx h TRP 277 Ca -0.03 0.05 0.03 0.00 2.11 0.00 0.00 58.89 61.04 2wdx h TRP 277 Cb 1.30 0.35 -0.00 0.00 -2.10 0.00 0.00 29.16 28.71 2wdx h TRP 277 CO 0.06 -0.33 0.08 1.88 -2.79 0.00 0.00 178.44 177.33 2wdx h TYR 278 N -0.23 0.00 -0.35 2.65 0.05 -0.53 -2.02 116.97 116.54 2wdx h TYR 278 Ca 0.16 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.86 2wdx h TYR 278 Cb 0.48 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.20 2wdx h TYR 278 CO -0.45 0.00 -0.14 0.93 -1.05 0.00 0.00 178.16 177.45 2wdx h GLU 279 N 0.00 0.62 0.00 4.88 5.08 0.02 -3.26 114.58 121.92 2wdx h GLU 279 Ca 0.05 -0.20 -0.23 0.00 -1.00 0.00 0.00 59.36 57.98 2wdx h GLU 279 Cb 0.21 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 2wdx h GLU 279 CO -0.00 0.74 -1.34 0.00 -1.00 0.00 0.00 179.01 177.40 2wdx h ARG 280 N 0.56 0.00 -0.63 2.33 3.08 -0.95 -3.41 114.38 115.36 2wdx h ARG 280 Ca 0.10 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.68 2wdx h ARG 280 Cb 0.57 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 30.25 2wdx h ARG 280 CO 0.04 0.62 -0.79 0.09 -1.07 0.00 0.00 179.97 178.86 2wdx n ASN 281 N -3.13 4.36 -0.17 7.04 3.02 -0.82 -4.55 115.26 121.00 2wdx n ASN 281 Ca -0.09 -3.70 0.05 0.00 -0.03 0.00 0.00 54.58 50.81 2wdx n ASN 281 Cb 0.96 -0.37 0.07 0.00 -0.61 0.00 0.00 39.78 39.83 2wdx n ASN 281 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2wdx n SER 282 N -0.75 1.51 -4.81 6.41 7.64 -1.23 -4.72 113.62 117.66 2wdx n SER 282 Ca 0.39 -2.51 -0.33 0.00 1.01 0.00 0.00 58.87 57.43 2wdx n SER 282 Cb 0.93 -0.28 -0.02 0.00 -1.01 0.00 0.00 64.21 63.83 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 -1.93 2.29 0.46 0.23 0.00 -1.26 -1.26 107.32 105.85 2wdx s GLY 283 Ca 0.17 0.46 0.22 0.00 0.00 0.00 0.00 44.72 45.57 2wdx s GLY 283 CO 0.02 0.77 1.88 -2.55 0.00 0.00 0.00 173.10 173.21 2wdx h PRO 284 N 1.02 0.26 -0.65 2.90 0.11 -1.95 -1.88 132.00 131.81 2wdx h PRO 284 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2wdx h PRO 284 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2wdx h PRO 284 CO 0.59 0.17 0.00 -0.25 -0.21 0.00 0.00 178.00 178.30 2wdx n ASP 285 N -4.44 4.45 -4.77 -2.05 8.00 -1.26 -4.64 116.55 111.84 2wdx n ASP 285 Ca 0.18 -2.31 -0.40 0.00 0.71 0.00 0.00 54.79 52.97 2wdx n ASP 285 Cb 0.76 -0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 2wdx n ASP 285 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2wdx s SER 286 N -0.97 6.93 0.00 -2.24 0.15 -0.71 -4.93 113.70 111.94 2wdx s SER 286 Ca 0.49 2.41 0.08 0.00 0.70 0.00 0.00 55.95 59.64 2wdx s SER 286 Cb 0.30 -2.63 0.47 0.00 -1.71 0.00 0.00 66.02 62.45 2wdx s SER 286 CO 0.27 -0.40 0.95 -2.65 1.20 0.00 0.00 173.24 172.61 2wdx n PRO 287 N 0.77 0.24 -0.19 5.44 -0.02 -1.26 -2.39 135.00 137.58 2wdx n PRO 287 Ca 0.01 0.02 0.07 0.00 -2.02 0.00 0.00 63.50 61.57 2wdx n PRO 287 Cb 0.44 -1.50 0.17 0.00 -0.02 0.00 0.00 33.50 32.60 2wdx n PRO 287 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2wdx n TYR 288 N -1.03 0.51 0.26 6.00 4.01 -1.26 -4.51 117.16 121.14 2wdx n TYR 288 Ca 0.06 -0.47 0.15 0.00 -0.16 0.00 0.00 57.90 57.48 2wdx n TYR 288 Cb 0.03 -0.02 0.80 0.00 -0.31 0.00 0.00 39.34 39.84 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 2.38 0.00 -0.43 -0.72 1.35 -1.76 0.25 112.91 113.98 2wdx h THR 289 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2wdx h THR 289 Cb 0.76 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 2wdx h THR 289 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2wdx n GLY 290 N -1.21 1.92 3.86 5.82 0.00 -1.26 -2.10 105.19 112.22 2wdx n GLY 290 Ca -0.02 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 44.99 2wdx n GLY 290 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wdx s LEU 291 N -1.23 4.36 0.01 0.99 0.20 0.07 -1.45 118.68 121.65 2wdx s LEU 291 Ca 0.36 0.44 0.00 0.00 0.69 0.00 0.00 54.13 55.62 2wdx s LEU 291 Cb 0.20 -2.07 -0.01 0.00 -0.43 0.00 0.00 46.19 43.87 2wdx s LEU 291 CO 0.27 0.37 -0.03 0.86 -0.29 0.00 0.00 176.35 177.54 2wdx s TRP 292 N -0.82 0.22 0.26 5.38 -0.00 -0.35 -4.93 118.94 118.70 2wdx s TRP 292 Ca 0.14 -0.31 -0.09 0.00 -0.00 0.00 0.00 56.10 55.84 2wdx s TRP 292 Cb -0.12 -0.15 -0.01 0.00 -0.00 0.00 0.00 33.47 33.19 2wdx s TRP 292 CO 0.03 -0.10 0.42 -1.54 -0.00 0.00 0.00 176.95 175.76 2wdx s SER 293 N -0.86 0.12 -0.06 5.86 1.04 -1.26 -1.11 113.70 117.43 2wdx s SER 293 Ca -0.08 -1.11 -0.01 0.00 0.48 0.00 0.00 55.95 55.22 2wdx s SER 293 Cb -0.06 0.56 0.03 0.00 0.10 0.00 0.00 66.02 66.65 2wdx s SER 293 CO -0.00 -1.12 0.00 -1.10 0.98 0.00 0.00 173.24 172.00 2wdx s GLN 294 N -3.86 0.56 -0.36 4.02 -0.21 -0.91 -0.90 119.66 118.00 2wdx s GLN 294 Ca 0.27 0.11 -0.23 0.00 0.02 0.00 0.00 55.36 55.52 2wdx s GLN 294 Cb 0.01 -0.89 0.01 0.00 1.00 0.00 0.00 33.01 33.14 2wdx s GLN 294 CO 0.11 -0.27 0.79 -1.17 -2.12 0.00 0.00 175.29 172.63 2wdx s LEU 295 N 1.82 4.12 -0.39 2.90 0.20 -0.20 -3.28 118.68 123.85 2wdx s LEU 295 Ca 0.02 0.41 -0.06 0.00 0.69 0.00 0.00 54.13 55.19 2wdx s LEU 295 Cb -0.12 -3.04 0.08 0.00 -0.43 0.00 0.00 46.19 42.68 2wdx s LEU 295 CO -0.04 -0.72 0.19 -0.04 -0.29 0.00 0.00 176.35 175.45 2wdx s MET 296 N 3.09 2.38 -0.96 1.98 -1.94 0.12 -0.85 119.30 123.13 2wdx s MET 296 Ca 0.32 -1.53 -0.06 0.00 -1.71 0.00 0.00 55.69 52.70 2wdx s MET 296 Cb -0.13 -3.60 0.24 0.00 2.01 0.00 0.00 34.83 33.35 2wdx s MET 296 CO 0.16 -0.92 0.90 0.42 -0.01 0.00 0.00 175.02 175.57 2wdx s ILE 297 N 1.30 5.16 0.21 2.53 1.01 0.27 -1.71 121.20 129.98 2wdx s ILE 297 Ca 0.03 -3.46 0.04 0.00 0.00 0.00 0.00 60.65 57.27 2wdx s ILE 297 Cb -0.22 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.04 2wdx s ILE 297 CO -0.00 -1.11 -0.05 -0.83 0.00 0.00 0.00 174.94 172.95 2wdx s GLY 298 N 0.80 1.46 0.63 6.18 0.00 -0.72 -1.60 107.32 114.06 2wdx s GLY 298 Ca 0.27 -1.71 -0.16 0.00 0.00 0.00 0.00 44.72 43.12 2wdx s GLY 298 CO -0.10 -1.68 1.12 0.54 0.00 0.00 0.00 173.10 172.99 2wdx s ASN 299 N -3.29 5.24 -0.26 1.64 4.22 -1.15 -3.20 114.94 118.13 2wdx s ASN 299 Ca 0.25 2.07 -0.29 0.00 -2.14 0.00 0.00 52.86 52.75 2wdx s ASN 299 Cb 0.04 -2.56 0.01 0.00 1.28 0.00 0.00 41.25 40.02 2wdx s ASN 299 CO 0.07 -1.54 1.05 -1.61 -2.04 0.00 0.00 177.10 173.02 2wdx s GLU 300 N -3.85 4.19 -0.35 3.55 8.01 -1.26 -1.48 118.70 127.50 2wdx s GLU 300 Ca 0.69 1.24 -0.21 0.00 0.01 0.00 0.00 54.97 56.70 2wdx s GLU 300 Cb -0.22 -3.68 0.00 0.00 -4.31 0.00 0.00 34.13 25.93 2wdx s GLU 300 CO 0.37 -0.73 0.68 0.08 0.01 0.00 0.00 175.26 175.68 2wdx s VAL 301 N 3.35 4.85 0.36 2.63 1.01 -1.26 -4.94 120.40 126.40 2wdx s VAL 301 Ca 0.44 0.71 0.07 0.00 0.00 0.00 0.00 61.98 63.20 2wdx s VAL 301 Cb -0.14 -4.11 0.30 0.00 0.00 0.00 0.00 36.38 32.43 2wdx s VAL 301 CO 0.09 -0.33 1.94 -0.65 0.00 0.00 0.00 175.10 176.15 2wdx h PRO 302 N 8.43 0.70 -4.82 2.72 0.11 -1.95 -3.25 132.00 133.95 2wdx h PRO 302 Ca -0.26 -0.04 -0.66 0.00 0.11 0.00 0.00 66.00 65.15 2wdx h PRO 302 Cb 1.11 -0.16 -0.37 0.00 0.11 0.00 0.00 31.00 31.69 2wdx h PRO 302 CO 0.86 0.46 -0.81 0.20 -0.21 0.00 0.00 178.00 178.50 2wdx s GLY 303 N -3.60 1.51 0.00 -0.55 0.00 -1.26 -5.07 107.32 98.34 2wdx s GLY 303 Ca -0.10 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.10 2wdx s GLY 303 CO 0.77 0.58 0.00 -0.13 0.00 0.00 0.00 173.10 174.32 2wdx n MET 304 N 4.53 0.00 -3.55 2.90 0.00 -1.23 -5.15 117.12 114.63 2wdx n MET 304 Ca -0.15 0.00 -0.22 0.00 0.00 0.00 0.00 57.70 57.32 2wdx n MET 304 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.66 2wdx n MET 304 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2wdx s GLY 305 N 0.00 1.35 -0.13 -5.12 0.00 -1.26 -4.56 107.32 97.60 2wdx s GLY 305 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 44.72 43.62 2wdx s GLY 305 CO 0.00 -1.05 0.00 -2.21 0.00 0.00 0.00 173.10 169.84 2wdx n GLU 306 N -1.67 -0.48 -4.10 2.90 4.07 -1.26 -5.03 120.64 115.06 2wdx n GLU 306 Ca -0.05 0.25 -0.22 0.00 -0.06 0.00 0.00 57.16 57.08 2wdx n GLU 306 Cb 0.57 -3.71 -0.04 0.00 -0.06 0.00 0.00 31.44 28.19 2wdx n GLU 306 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 2wdx s SER 307 N -2.21 5.45 0.00 4.31 1.04 -1.26 -5.06 113.70 115.97 2wdx s SER 307 Ca 0.00 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.14 2wdx s SER 307 Cb 0.00 -1.34 0.00 0.00 0.10 0.00 0.00 66.02 64.78 2wdx s SER 307 CO 0.00 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.77 2wdx n GLY 308 N -1.18 -1.48 3.20 7.32 0.00 -0.55 -4.80 105.19 107.70 2wdx n GLY 308 Ca -0.07 -2.07 -0.41 0.00 0.00 0.00 0.00 46.02 43.47 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 3.47 0.12 1.61 5.99 -1.19 -1.76 117.98 126.21 2wdx s PHE 309 Ca 0.00 -2.04 -0.08 0.00 0.00 0.00 0.00 56.93 54.81 2wdx s PHE 309 Cb 0.00 -3.47 -0.01 0.00 0.00 0.00 0.00 43.02 39.54 2wdx s PHE 309 CO 0.00 -0.97 0.21 0.00 -0.00 0.00 0.00 175.22 174.46 2wdx s MET 310 N 1.04 0.97 -0.37 10.12 0.23 -0.69 -1.35 119.30 129.25 2wdx s MET 310 Ca 0.09 -1.09 0.02 0.00 -1.03 0.00 0.00 55.69 53.67 2wdx s MET 310 Cb -0.24 0.34 0.15 0.00 -1.53 0.00 0.00 34.83 33.56 2wdx s MET 310 CO -0.02 -0.32 0.29 1.41 -2.03 0.00 0.00 175.02 174.34 2wdx s MET 311 N -3.92 0.64 0.01 3.16 0.00 0.19 -0.70 119.30 118.69 2wdx s MET 311 Ca 0.11 -1.31 -0.30 0.00 0.00 0.00 0.00 55.69 54.19 2wdx s MET 311 Cb 0.05 -1.12 -0.06 0.00 0.00 0.00 0.00 34.83 33.70 2wdx s MET 311 CO -0.06 -1.24 1.36 -2.14 0.00 0.00 0.00 175.02 172.94 2wdx s PRO 312 N 1.01 4.31 -0.01 4.11 0.02 -1.21 -1.32 135.00 141.91 2wdx s PRO 312 Ca 0.20 1.93 0.03 0.00 0.02 0.00 0.00 61.00 63.18 2wdx s PRO 312 Cb -0.16 -3.51 -0.01 0.00 0.02 0.00 0.00 34.50 30.84 2wdx s PRO 312 CO -0.03 -0.51 -0.12 -1.50 -0.33 0.00 0.00 177.00 174.51 2wdx s ILE 313 N 2.08 0.94 -0.00 2.83 -1.16 0.11 -2.15 121.20 123.84 2wdx s ILE 313 Ca 0.62 -0.49 0.03 0.00 -0.51 0.00 0.00 60.65 60.30 2wdx s ILE 313 Cb -0.31 -0.79 -0.01 0.00 0.61 0.00 0.00 42.46 41.96 2wdx s ILE 313 CO 0.27 0.27 -0.09 0.00 -2.81 0.00 0.00 174.94 172.58 2wdx s GLN 314 N -0.16 0.71 -0.02 3.50 -2.07 -0.26 -1.65 119.66 119.70 2wdx s GLN 314 Ca 0.02 -0.33 0.06 0.00 -1.82 0.00 0.00 55.36 53.30 2wdx s GLN 314 Cb -0.06 -0.68 -0.02 0.00 -1.09 0.00 0.00 33.01 31.16 2wdx s GLN 314 CO -0.00 0.19 -0.21 0.54 -1.32 0.00 0.00 175.29 174.48 2wdx s VAL 315 N -0.24 1.67 -0.28 3.63 0.11 -0.06 -1.21 120.40 124.02 2wdx s VAL 315 Ca 0.03 -0.90 -0.38 0.00 -2.93 0.00 0.00 61.98 57.80 2wdx s VAL 315 Cb -0.04 -1.39 -0.14 0.00 -1.53 0.00 0.00 36.38 33.29 2wdx s VAL 315 CO -0.00 0.47 1.93 -0.67 -3.33 0.00 0.00 175.10 173.50 2wdx n ASP 316 N 2.56 2.45 -0.01 3.54 4.64 -0.53 0.02 116.55 129.22 2wdx n ASP 316 Ca -0.15 0.82 0.14 0.00 -1.38 0.00 0.00 54.79 54.22 2wdx n ASP 316 Cb 0.53 -1.21 0.66 0.00 -1.04 0.00 0.00 41.12 40.05 2wdx n ASP 316 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2wdx n ALA 317 N 7.18 2.50 -0.17 -1.67 0.00 -0.92 -4.35 120.51 123.08 2wdx n ALA 317 Ca 0.32 -0.15 -0.05 0.00 0.00 0.00 0.00 53.44 53.56 2wdx n ALA 317 Cb 0.19 -1.45 0.01 0.00 0.00 0.00 0.00 19.45 18.20 2wdx n ALA 317 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2wdx h THR 318 N 0.05 0.25 -3.94 0.00 2.02 -1.90 -3.41 112.91 105.99 2wdx h THR 318 Ca 0.00 0.00 -0.46 0.00 0.77 0.00 0.00 66.41 66.72 2wdx h THR 318 Cb 0.40 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 2wdx h THR 318 CO 0.00 0.00 0.35 -0.13 0.37 0.00 0.00 175.52 176.11 2wdx s ARG 319 N -6.06 4.46 0.00 6.66 0.52 -1.26 -4.93 118.95 118.34 2wdx s ARG 319 Ca -0.14 1.29 0.13 0.00 -0.52 0.00 0.00 55.73 56.49 2wdx s ARG 319 Cb 0.16 -2.62 0.68 0.00 0.52 0.00 0.00 34.95 33.68 2wdx s ARG 319 CO 0.70 0.16 1.33 -0.35 0.02 0.00 0.00 175.30 177.16 2wdx n PRO 320 N 0.21 0.20 -0.01 3.54 -0.04 -1.26 -1.73 135.00 135.91 2wdx n PRO 320 Ca 0.03 0.15 0.13 0.00 -0.04 0.00 0.00 63.50 63.78 2wdx n PRO 320 Cb 0.51 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.97 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 -1.26 1.52 -0.35 3.54 5.75 -1.26 -4.34 116.55 120.14 2wdx n ASP 321 Ca 0.07 -1.53 0.05 0.00 -0.01 0.00 0.00 54.79 53.36 2wdx n ASP 321 Cb 0.10 -0.02 0.20 0.00 -1.03 0.00 0.00 41.12 40.38 2wdx n ASP 321 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wdx h ALA 322 N 4.30 1.40 -0.57 2.12 0.00 -1.61 -1.65 119.26 123.25 2wdx h ALA 322 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2wdx h ALA 322 Cb 0.49 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2wdx h ALA 322 CO 0.00 0.25 0.15 -0.09 0.00 0.00 0.00 179.25 179.56 2wdx h ARG 323 N 1.00 0.91 -0.50 0.00 2.43 -1.83 -2.26 114.38 114.13 2wdx h ARG 323 Ca 0.45 -0.21 -0.04 0.00 -0.81 0.00 0.00 59.98 59.37 2wdx h ARG 323 Cb 0.37 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2wdx h ARG 323 CO -0.23 0.84 0.17 -0.09 -1.51 0.00 0.00 179.97 179.15 2wdx h ARG 324 N 0.81 0.76 -0.37 0.20 2.43 -1.68 -2.36 114.38 114.18 2wdx h ARG 324 Ca 0.18 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 2wdx h ARG 324 Cb 0.33 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2wdx h ARG 324 CO 0.00 0.70 0.03 -0.07 -1.51 0.00 0.00 179.97 179.13 2wdx h LEU 325 N 0.67 0.53 0.53 3.80 3.38 -1.29 -1.86 115.31 121.07 2wdx h LEU 325 Ca 0.16 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2wdx h LEU 325 Cb 0.24 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.86 2wdx h LEU 325 CO -0.01 0.57 -0.26 0.25 0.09 0.00 0.00 178.44 179.09 2wdx h LEU 326 N 0.55 -0.61 -0.77 1.67 6.46 -1.08 -2.24 115.31 119.29 2wdx h LEU 326 Ca 0.12 -0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.84 2wdx h LEU 326 Cb 0.30 0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.35 2wdx h LEU 326 CO 0.01 -0.25 0.50 0.44 -0.62 0.00 0.00 178.44 178.52 2wdx h ASP 327 N -1.00 0.86 -0.06 1.25 3.32 -1.41 0.14 116.42 119.52 2wdx h ASP 327 Ca -0.07 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.00 2wdx h ASP 327 Cb 0.63 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.91 2wdx h ASP 327 CO 0.12 0.62 -0.31 0.00 -1.72 0.00 0.00 179.24 177.95 2wdx h ALA 328 N 1.29 -0.41 -0.64 3.45 0.00 -1.39 0.50 119.26 122.06 2wdx h ALA 328 Ca 0.29 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.23 2wdx h ALA 328 Cb -0.09 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2wdx h ALA 328 CO -0.07 -0.81 0.39 1.25 0.00 0.00 0.00 179.25 180.01 2wdx h HIS 329 N -0.43 0.74 0.86 0.00 -0.00 -0.75 -2.00 115.15 113.57 2wdx h HIS 329 Ca 0.08 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.43 2wdx h HIS 329 Cb 0.54 -0.24 0.01 0.00 -0.00 0.00 0.00 27.41 27.72 2wdx h HIS 329 CO -0.37 0.42 -0.43 0.82 -0.00 0.00 0.00 177.93 178.37 2wdx h ILE 330 N 0.77 0.12 -0.97 6.26 1.08 -0.00 -2.46 117.51 122.31 2wdx h ILE 330 Ca 0.26 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.86 2wdx h ILE 330 Cb 0.02 0.12 -0.08 0.00 -3.07 0.00 0.00 36.82 33.80 2wdx h ILE 330 CO -0.10 0.00 0.61 -0.33 -0.69 0.00 0.00 178.15 177.64 2wdx h GLU 331 N -1.18 0.84 -0.40 2.37 4.39 0.01 -0.18 114.58 120.42 2wdx h GLU 331 Ca -0.12 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.50 2wdx h GLU 331 Cb 0.92 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 2wdx h GLU 331 CO 0.18 0.55 0.11 0.00 -1.16 0.00 0.00 179.01 178.70 2wdx h ALA 332 N 1.57 0.53 -0.21 3.43 0.00 -1.33 -2.60 119.26 120.65 2wdx h ALA 332 Ca 0.49 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 55.02 2wdx h ALA 332 Cb 0.62 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.26 2wdx h ALA 332 CO -0.26 0.19 -0.66 0.28 0.00 0.00 0.00 179.25 178.81 2wdx h VAL 333 N 0.51 1.28 -0.39 0.00 2.07 -0.75 -3.18 116.25 115.79 2wdx h VAL 333 Ca 0.13 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.80 2wdx h VAL 333 Cb 0.29 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 2wdx h VAL 333 CO -0.00 0.59 0.00 2.30 0.02 0.00 0.00 177.57 180.48 2wdx n ILE 334 N -3.99 0.52 -1.96 4.57 -5.35 -0.19 -4.64 119.36 108.32 2wdx n ILE 334 Ca -0.06 -0.53 -0.39 0.00 -0.27 0.00 0.00 62.75 61.50 2wdx n ILE 334 Cb 0.68 0.29 -0.03 0.00 -1.74 0.00 0.00 39.64 38.84 2wdx n ILE 334 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2wdx s ASP 335 N -1.04 5.25 0.00 7.28 2.15 -0.98 -1.38 116.67 127.95 2wdx s ASP 335 Ca 0.28 0.63 0.00 0.00 0.43 0.00 0.00 52.55 53.89 2wdx s ASP 335 Cb 0.14 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 2wdx s ASP 335 CO 0.19 -2.33 0.00 0.61 -0.17 0.00 0.00 175.17 173.47 2wdx n GLY 336 N 5.70 0.95 2.78 2.66 0.00 -1.26 -4.93 105.19 111.08 2wdx n GLY 336 Ca 0.23 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 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 2.08 0.27 1.61 1.01 -0.48 -4.85 120.40 118.05 2wdx s VAL 337 Ca 0.00 -3.49 -0.02 0.00 0.00 0.00 0.00 61.98 58.47 2wdx s VAL 337 Cb 0.00 -2.40 0.28 0.00 0.00 0.00 0.00 36.38 34.26 2wdx s VAL 337 CO 0.00 -0.99 1.66 -0.65 0.00 0.00 0.00 175.10 175.12 2wdx h PRO 338 N 5.88 0.22 0.00 2.72 0.11 -1.97 -3.09 132.00 135.87 2wdx h PRO 338 Ca 0.10 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2wdx h PRO 338 Cb 0.84 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.90 2wdx h PRO 338 CO 0.60 0.14 0.00 -0.35 -0.21 0.00 0.00 178.00 178.19 2wdx n PRO 339 N -5.21 0.46 -3.19 1.05 -0.04 -1.26 -4.75 135.00 122.06 2wdx n PRO 339 Ca 0.18 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.25 2wdx n PRO 339 Cb 0.58 -1.06 -0.06 0.00 -0.04 0.00 0.00 33.50 32.92 2wdx n PRO 339 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wdx s ALA 340 N -2.00 3.52 -0.08 0.55 0.00 -1.17 -2.66 121.76 119.91 2wdx s ALA 340 Ca 0.03 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.72 2wdx s ALA 340 Cb 0.01 -2.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 2wdx s ALA 340 CO 0.02 -0.38 -0.09 -1.21 0.00 0.00 0.00 175.76 174.09 2wdx s GLU 341 N 1.50 2.82 -0.34 0.00 0.41 -0.53 -4.97 118.70 117.59 2wdx s GLU 341 Ca 0.27 -0.60 0.01 0.00 -0.41 0.00 0.00 54.97 54.24 2wdx s GLU 341 Cb -0.16 -2.56 0.09 0.00 -1.78 0.00 0.00 34.13 29.72 2wdx s GLU 341 CO 0.11 0.57 0.06 0.54 -0.49 0.00 0.00 175.26 176.05 2wdx s VAL 342 N -0.56 2.64 0.99 2.63 0.11 -1.26 -1.29 120.40 123.65 2wdx s VAL 342 Ca 0.08 -2.04 -0.16 0.00 -2.93 0.00 0.00 61.98 56.93 2wdx s VAL 342 Cb -0.12 -2.79 0.20 0.00 -1.53 0.00 0.00 36.38 32.14 2wdx s VAL 342 CO 0.02 -0.48 1.27 -2.16 -3.33 0.00 0.00 175.10 170.41 2wdx s PRO 343 N 1.04 0.43 0.18 1.54 0.04 -1.26 -4.98 135.00 131.99 2wdx s PRO 343 Ca 0.05 -0.28 -0.32 0.00 0.04 0.00 0.00 61.00 60.50 2wdx s PRO 343 Cb -0.20 -1.81 -0.11 0.00 0.04 0.00 0.00 34.50 32.42 2wdx s PRO 343 CO -0.06 -2.58 1.63 -1.21 0.04 0.00 0.00 177.00 174.83 2wdx s GLU 344 N -5.75 4.18 0.80 4.56 0.41 -1.26 -4.95 118.70 116.69 2wdx s GLU 344 Ca 0.72 2.46 -0.14 0.00 -0.41 0.00 0.00 54.97 57.60 2wdx s GLU 344 Cb -0.06 -3.14 0.07 0.00 -1.78 0.00 0.00 34.13 29.23 2wdx s GLU 344 CO 0.53 -0.67 1.16 -2.30 -0.49 0.00 0.00 175.26 173.49 2wdx n PRO 345 N 4.02 0.20 -4.40 0.39 -0.02 -1.26 -4.92 135.00 129.01 2wdx n PRO 345 Ca 0.15 0.14 -0.22 0.00 -2.02 0.00 0.00 63.50 61.55 2wdx n PRO 345 Cb 0.37 -2.40 -0.16 0.00 -0.02 0.00 0.00 33.50 31.29 2wdx n PRO 345 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2wdx s ILE 346 N -2.10 0.83 -0.20 4.25 1.01 -0.16 -4.95 121.20 119.88 2wdx s ILE 346 Ca 0.73 -0.33 -0.23 0.00 0.00 0.00 0.00 60.65 60.82 2wdx s ILE 346 Cb -0.29 -0.78 -0.02 0.00 0.01 0.00 0.00 42.46 41.38 2wdx s ILE 346 CO 0.51 0.28 0.74 -0.70 0.00 0.00 0.00 174.94 175.77 2wdx s GLU 347 N 0.58 4.23 -0.11 2.79 2.12 -1.26 -0.97 118.70 126.08 2wdx s GLU 347 Ca -0.10 0.81 0.01 0.00 0.36 0.00 0.00 54.97 56.05 2wdx s GLU 347 Cb -0.13 -3.59 -0.02 0.00 0.26 0.00 0.00 34.13 30.65 2wdx s GLU 347 CO 0.02 -0.33 -0.14 -1.14 -0.54 0.00 0.00 175.26 173.13 2wdx s GLN 348 N 2.19 3.17 0.46 4.30 2.00 0.19 -4.95 119.66 127.02 2wdx s GLN 348 Ca 0.33 -0.69 -0.21 0.00 -2.00 0.00 0.00 55.36 52.79 2wdx s GLN 348 Cb -0.16 -2.56 -0.09 0.00 0.80 0.00 0.00 33.01 31.00 2wdx s GLN 348 CO 0.10 0.31 1.02 1.03 -0.50 0.00 0.00 175.29 177.26 2wdx s ARG 349 N 0.09 3.95 0.01 1.67 0.52 -1.26 -1.11 118.95 122.82 2wdx s ARG 349 Ca -0.06 1.33 -0.34 0.00 -0.52 0.00 0.00 55.73 56.14 2wdx s ARG 349 Cb -0.15 -2.18 -0.12 0.00 0.52 0.00 0.00 34.95 33.02 2wdx s ARG 349 CO 0.05 -0.30 1.77 1.87 0.02 0.00 0.00 175.30 178.70 2wdx n TRP 350 N -0.76 2.31 -2.21 -0.53 -0.00 -0.68 -2.33 117.44 113.25 2wdx n TRP 350 Ca 0.08 0.09 -0.20 0.00 -0.00 0.00 0.00 57.50 57.47 2wdx n TRP 350 Cb 0.52 -2.62 -0.02 0.00 -0.00 0.00 0.00 31.31 29.19 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 5.45 -1.81 0.38 5.87 4.77 -1.26 -4.94 117.00 125.47 2wdx n LEU 351 Ca 0.20 0.09 -0.19 0.00 -0.03 0.00 0.00 56.01 56.08 2wdx n LEU 351 Cb 0.29 -2.79 -0.10 0.00 -2.33 0.00 0.00 43.42 38.49 2wdx n LEU 351 CO 0.69 -0.38 0.53 0.00 -1.33 0.00 0.00 177.39 176.91 2wdx h ALA 352 N 0.75 -1.23 -3.66 -1.18 0.00 -1.86 -3.40 119.26 108.67 2wdx h ALA 352 Ca -0.46 -0.23 -0.63 0.00 0.00 0.00 0.00 54.91 53.60 2wdx h ALA 352 Cb 1.33 0.66 -0.38 0.00 0.00 0.00 0.00 17.79 19.40 2wdx h ALA 352 CO 0.56 -1.22 -0.78 0.45 0.00 0.00 0.00 179.25 178.27 2wdx s SER 353 N -4.21 4.10 0.42 0.00 0.15 -1.26 -5.10 113.70 107.80 2wdx s SER 353 Ca -0.18 -1.37 -0.25 0.00 0.70 0.00 0.00 55.95 54.84 2wdx s SER 353 Cb 0.03 -1.29 -0.08 0.00 -1.71 0.00 0.00 66.02 62.97 2wdx s SER 353 CO 0.60 -0.25 1.30 0.42 1.20 0.00 0.00 173.24 176.50 2wdx s THR 354 N 1.29 2.62 -0.65 6.45 -4.23 -1.26 -4.86 115.64 115.00 2wdx s THR 354 Ca -0.04 0.54 -0.28 0.00 -1.18 0.00 0.00 61.69 60.73 2wdx s THR 354 Cb -0.19 -3.31 -0.16 0.00 1.34 0.00 0.00 72.50 70.18 2wdx s THR 354 CO -0.07 0.07 1.96 -2.65 -0.54 0.00 0.00 174.62 173.38 2wdx n PRO 355 N -0.01 0.00 -1.46 3.99 -0.02 -1.26 -4.82 135.00 131.41 2wdx n PRO 355 Ca 0.04 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.13 2wdx n PRO 355 Cb 0.44 -1.17 -0.02 0.00 -0.02 0.00 0.00 33.50 32.73 2wdx n PRO 355 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdx n GLY 356 N 5.35 4.34 0.89 -1.23 0.00 -1.26 -4.77 105.19 108.50 2wdx n GLY 356 Ca 0.49 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.95 2wdx n GLY 356 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wdx n ARG 357 N 4.19 0.08 0.00 1.61 0.63 -1.26 -5.09 116.66 116.82 2wdx n ARG 357 Ca 0.71 -0.23 0.00 0.00 -0.92 0.00 0.00 57.85 57.41 2wdx n ARG 357 Cb 0.28 0.34 0.00 0.00 0.45 0.00 0.00 32.46 33.53 2wdx n ARG 357 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wdx n GLY 358 N -0.19 0.04 0.54 5.14 0.00 -1.26 -5.00 105.19 104.46 2wdx n GLY 358 Ca 0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 2wdx n GLY 358 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdx n GLY 359 N 0.00 -3.68 3.62 -0.02 0.00 -1.26 -4.90 105.19 98.96 2wdx n GLY 359 Ca 0.00 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 2wdx n GLY 359 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2wdx s ARG 360 N -3.36 3.86 0.88 1.61 3.52 -1.26 -5.01 118.95 119.19 2wdx s ARG 360 Ca 0.11 1.09 -0.13 0.00 -0.13 0.00 0.00 55.73 56.67 2wdx s ARG 360 Cb -0.02 -3.89 0.12 0.00 -1.56 0.00 0.00 34.95 29.61 2wdx s ARG 360 CO 0.10 -1.19 1.18 0.20 -0.81 0.00 0.00 175.30 174.77 2wdx s GLY 361 N 2.77 1.61 0.95 8.12 0.00 -1.24 -5.05 107.32 114.48 2wdx s GLY 361 Ca 0.54 -0.69 -0.15 0.00 0.00 0.00 0.00 44.72 44.43 2wdx s GLY 361 CO 0.25 -0.12 1.22 2.56 0.00 0.00 0.00 173.10 177.00 2wdx s PRO 362 N -5.51 0.77 0.42 2.90 0.04 -1.26 -4.18 135.00 128.17 2wdx s PRO 362 Ca 0.64 -0.08 -0.26 0.00 0.04 0.00 0.00 61.00 61.33 2wdx s PRO 362 Cb -0.11 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 2wdx s PRO 362 CO 0.51 -2.38 1.45 0.00 0.04 0.00 0.00 177.00 176.62 2wdx s ALA 363 N -3.55 3.38 -0.06 8.56 0.00 -1.25 -4.39 121.76 124.45 2wdx s ALA 363 Ca 0.69 1.50 -0.27 0.00 0.00 0.00 0.00 51.96 53.88 2wdx s ALA 363 Cb -0.09 -3.59 0.06 0.00 0.00 0.00 0.00 23.12 19.50 2wdx s ALA 363 CO 0.53 -1.12 0.61 -1.54 0.00 0.00 0.00 175.76 174.23 2wdx s SER 364 N -0.36 -0.57 -0.10 0.00 1.04 -1.26 -2.58 113.70 109.87 2wdx s SER 364 Ca 0.57 0.64 0.02 0.00 0.48 0.00 0.00 55.95 57.67 2wdx s SER 364 Cb -0.45 0.56 -0.01 0.00 0.10 0.00 0.00 66.02 66.22 2wdx s SER 364 CO 0.59 -0.55 -0.17 -0.75 0.98 0.00 0.00 173.24 173.34 2wdx s LYS 365 N -1.09 3.06 -0.07 4.02 2.47 -0.12 -4.95 119.74 123.06 2wdx s LYS 365 Ca -0.11 -0.75 0.02 0.00 -1.56 0.00 0.00 55.97 53.57 2wdx s LYS 365 Cb -0.01 -2.46 0.01 0.00 -1.46 0.00 0.00 37.83 33.91 2wdx s LYS 365 CO 0.08 0.30 -0.13 0.99 0.16 0.00 0.00 175.35 176.75 2wdx s THR 366 N 0.10 1.23 0.17 3.43 2.01 -1.26 -1.14 115.64 120.18 2wdx s THR 366 Ca -0.08 -0.53 0.11 0.00 0.31 0.00 0.00 61.69 61.50 2wdx s THR 366 Cb -0.15 -1.12 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 2wdx s THR 366 CO 0.05 0.38 -0.24 -0.54 -0.69 0.00 0.00 174.62 173.58 2wdx s LYS 367 N 0.66 1.51 0.05 4.92 1.02 0.01 -4.78 119.74 123.13 2wdx s LYS 367 Ca -0.14 -1.45 -0.02 0.00 0.02 0.00 0.00 55.97 54.38 2wdx s LYS 367 Cb -0.16 -1.88 -0.03 0.00 -0.52 0.00 0.00 37.83 35.23 2wdx s LYS 367 CO 0.04 0.42 -0.01 0.00 -0.92 0.00 0.00 175.35 174.88 2wdx s ALA 368 N -1.47 0.36 0.07 5.17 0.00 -1.26 -0.23 121.76 124.41 2wdx s ALA 368 Ca 0.19 -1.03 -0.23 0.00 0.00 0.00 0.00 51.96 50.89 2wdx s ALA 368 Cb -0.09 0.26 0.06 0.00 0.00 0.00 0.00 23.12 23.35 2wdx s ALA 368 CO 0.09 -0.34 0.55 0.20 0.00 0.00 0.00 175.76 176.25 2wdx s GLY 369 N -2.64 -0.48 0.27 0.00 0.00 -0.13 -4.72 107.32 99.62 2wdx s GLY 369 Ca 0.02 0.61 -0.07 0.00 0.00 0.00 0.00 44.72 45.28 2wdx s GLY 369 CO -0.08 0.30 0.55 -0.19 0.00 0.00 0.00 173.10 173.68 2wdx s TYR 370 N -2.71 3.46 -0.13 1.90 2.02 0.52 -1.25 117.35 121.15 2wdx s TYR 370 Ca -0.04 0.74 0.01 0.00 -0.37 0.00 0.00 57.07 57.41 2wdx s TYR 370 Cb -0.00 -2.17 0.02 0.00 -0.40 0.00 0.00 41.96 39.40 2wdx s TYR 370 CO -0.04 0.21 -0.15 -0.51 -1.57 0.00 0.00 175.55 173.48 2wdx s LEU 371 N -3.26 1.75 0.03 -1.29 1.43 -1.00 -3.02 118.68 113.33 2wdx s LEU 371 Ca 0.45 -0.48 0.12 0.00 -1.03 0.00 0.00 54.13 53.19 2wdx s LEU 371 Cb -0.11 -1.18 -0.20 0.00 0.03 0.00 0.00 46.19 44.74 2wdx s LEU 371 CO 0.27 -0.01 0.88 0.03 0.23 0.00 0.00 176.35 177.75 2wdx h ARG 372 N 7.72 0.00 -4.89 1.70 3.08 0.15 0.37 114.38 122.50 2wdx h ARG 372 Ca -0.35 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.24 2wdx h ARG 372 Cb 1.16 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.07 2wdx h ARG 372 CO 0.52 0.59 -0.51 0.15 -1.07 0.00 0.00 179.97 179.66 2wdx s LYS 373 N -2.69 1.72 0.97 0.04 -0.14 -1.15 -4.45 119.74 114.05 2wdx s LYS 373 Ca -0.03 -2.00 -0.11 0.00 -1.36 0.00 0.00 55.97 52.47 2wdx s LYS 373 Cb 0.09 0.19 0.17 0.00 -1.68 0.00 0.00 37.83 36.60 2wdx s LYS 373 CO 0.82 -0.60 1.09 -0.98 -0.76 0.00 0.00 175.35 174.92 2wdx s ARG 374 N -3.56 0.64 0.21 1.68 1.70 -1.26 -4.83 118.95 113.53 2wdx s ARG 374 Ca 0.38 1.00 -0.30 0.00 -0.47 0.00 0.00 55.73 56.34 2wdx s ARG 374 Cb 0.03 -1.72 -0.09 0.00 -0.57 0.00 0.00 34.95 32.59 2wdx s ARG 374 CO 0.24 -2.71 1.42 -0.51 -1.08 0.00 0.00 175.30 172.65 2wdx s LEU 375 N -6.57 4.39 1.07 -1.89 1.43 -1.26 -4.88 118.68 110.97 2wdx s LEU 375 Ca 0.65 2.56 -0.12 0.00 -1.03 0.00 0.00 54.13 56.19 2wdx s LEU 375 Cb -0.21 -3.61 0.23 0.00 0.03 0.00 0.00 46.19 42.63 2wdx s LEU 375 CO 0.59 -0.66 1.07 0.42 0.23 0.00 0.00 176.35 178.00 2wdx s THR 376 N 0.27 2.09 0.29 5.49 -4.23 -1.26 -4.63 115.64 113.66 2wdx s THR 376 Ca 0.60 0.03 0.13 0.00 -1.18 0.00 0.00 61.69 61.28 2wdx s THR 376 Cb -0.40 -2.12 0.06 0.00 1.34 0.00 0.00 72.50 71.38 2wdx s THR 376 CO 0.39 -0.04 1.73 0.44 -0.54 0.00 0.00 174.62 176.60 2wdx h ASP 377 N -2.31 0.00 0.99 3.99 3.32 -1.98 0.16 116.42 120.59 2wdx h ASP 377 Ca -0.55 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.37 2wdx h ASP 377 Cb 1.31 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.84 2wdx h ASP 377 CO 0.48 0.47 -0.64 0.08 -1.72 0.00 0.00 179.24 177.91 2wdx h ARG 378 N 0.00 0.00 -0.02 3.56 0.11 -1.98 -0.24 114.38 115.82 2wdx h ARG 378 Ca -0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.07 2wdx h ARG 378 Cb 0.88 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.96 2wdx h ARG 378 CO 0.06 0.64 0.00 1.96 0.10 0.00 0.00 179.97 182.74 2wdx h GLN 379 N 0.00 0.03 -0.70 0.08 4.20 -1.52 -0.21 115.11 116.98 2wdx h GLN 379 Ca -0.01 -0.01 0.14 0.00 0.06 0.00 0.00 58.65 58.83 2wdx h GLN 379 Cb 1.31 -0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.99 2wdx h GLN 379 CO 0.08 0.28 0.22 0.82 -0.67 0.00 0.00 178.83 179.56 2wdx h ILE 380 N -0.22 0.62 -0.47 2.54 2.04 -0.73 -1.58 117.51 119.71 2wdx h ILE 380 Ca 0.01 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 2wdx h ILE 380 Cb 0.26 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 2wdx h ILE 380 CO 0.00 0.06 0.20 -0.61 0.00 0.00 0.00 178.15 177.80 2wdx h GLN 381 N 0.35 0.70 -0.68 2.37 4.15 -0.70 -0.25 115.11 121.05 2wdx h GLN 381 Ca 0.38 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.66 2wdx h GLN 381 Cb 0.60 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.14 2wdx h GLN 381 CO -0.43 0.62 0.34 0.00 -1.93 0.00 0.00 178.83 177.44 2wdx h ALA 382 N 1.04 0.87 0.16 3.38 0.00 -0.76 0.14 119.26 124.09 2wdx h ALA 382 Ca 0.16 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2wdx h ALA 382 Cb 0.17 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2wdx h ALA 382 CO -0.02 0.42 -0.28 0.28 0.00 0.00 0.00 179.25 179.65 2wdx h VAL 383 N 0.94 0.40 -0.95 0.00 2.07 -1.05 -1.23 116.25 116.42 2wdx h VAL 383 Ca 0.24 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.91 2wdx h VAL 383 Cb 0.09 0.40 -0.10 0.00 -1.52 0.00 0.00 31.29 30.16 2wdx h VAL 383 CO -0.03 0.00 0.56 0.22 0.02 0.00 0.00 177.57 178.33 2wdx h TYR 384 N -0.51 0.99 -0.19 1.57 5.03 -0.69 -0.64 116.97 122.52 2wdx h TYR 384 Ca 0.02 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 61.29 2wdx h TYR 384 Cb 0.52 -0.30 -0.00 0.00 1.55 0.00 0.00 36.73 38.50 2wdx h TYR 384 CO -0.23 0.28 -0.16 1.49 -1.32 0.00 0.00 178.16 178.22 2wdx h GLU 385 N 0.78 0.45 -0.13 1.82 4.57 -0.31 -2.84 114.58 118.93 2wdx h GLU 385 Ca 0.52 -0.22 -0.17 0.00 -1.18 0.00 0.00 59.36 58.30 2wdx h GLU 385 Cb 0.70 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.28 2wdx h GLU 385 CO -0.34 0.78 -0.64 -0.91 -1.18 0.00 0.00 179.01 176.72 2wdx h ASN 386 N 0.13 0.56 0.26 1.04 2.35 -1.00 -2.86 115.58 116.05 2wdx h ASN 386 Ca 0.04 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 2wdx h ASN 386 Cb 0.68 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.89 2wdx h ASN 386 CO 0.04 1.06 0.00 0.23 -1.65 0.00 0.00 177.43 177.11 2wdx n MET 387 N -3.90 0.15 -0.08 0.81 2.81 -0.27 -2.11 117.12 114.53 2wdx n MET 387 Ca -0.04 0.55 0.06 0.00 -1.81 0.00 0.00 57.70 56.46 2wdx n MET 387 Cb 0.66 -1.91 0.10 0.00 -0.71 0.00 0.00 33.22 31.36 2wdx n MET 387 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2wdx n THR 388 N -2.21 0.46 -3.46 2.03 -2.24 -1.07 -4.69 114.28 103.09 2wdx n THR 388 Ca -0.00 -0.73 -0.26 0.00 -2.27 0.00 0.00 64.05 60.79 2wdx n THR 388 Cb 0.10 0.90 -0.09 0.00 -2.10 0.00 0.00 70.33 69.14 2wdx n THR 388 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2wdx n HIS 389 N 0.59 1.66 -3.09 4.78 -0.00 -0.89 -4.96 115.22 113.31 2wdx n HIS 389 Ca 0.09 -3.88 -0.20 0.00 -0.00 0.00 0.00 57.72 53.73 2wdx n HIS 389 Cb 0.35 -0.37 -0.03 0.00 -0.00 0.00 0.00 29.99 29.94 2wdx n HIS 389 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2wdx n MET 390 N 1.59 1.55 -2.53 -0.41 0.00 -1.26 -4.86 117.12 111.20 2wdx n MET 390 Ca 0.25 -3.73 -0.42 0.00 0.00 0.00 0.00 57.70 53.80 2wdx n MET 390 Cb 0.44 -1.81 -0.03 0.00 0.00 0.00 0.00 33.22 31.82 2wdx n MET 390 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2wdx s ASP 391 N -2.73 7.17 0.00 3.17 1.01 -1.26 -3.29 116.67 120.74 2wdx s ASP 391 Ca 0.41 1.84 0.00 0.00 0.71 0.00 0.00 52.55 55.52 2wdx s ASP 391 Cb 0.34 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.70 2wdx s ASP 391 CO -0.09 -0.43 0.00 0.61 0.21 0.00 0.00 175.17 175.47 2wdx n GLY 392 N 3.14 0.61 3.39 0.21 0.00 -1.26 -5.01 105.19 106.28 2wdx n GLY 392 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 2wdx n GLY 392 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wdx s ILE 393 N -2.46 5.24 0.15 -0.61 1.09 -1.21 -4.86 121.20 118.55 2wdx s ILE 393 Ca 0.00 -1.03 -0.20 0.00 -1.10 0.00 0.00 60.65 58.31 2wdx s ILE 393 Cb 0.00 -4.11 0.05 0.00 -1.06 0.00 0.00 42.46 37.34 2wdx s ILE 393 CO 0.00 -0.56 1.65 0.44 -0.10 0.00 0.00 174.94 176.37 2wdx h ASP 394 N 8.75 -0.60 -3.69 3.58 3.32 -1.90 -3.42 116.42 122.45 2wdx h ASP 394 Ca -0.28 0.13 -0.23 0.00 0.02 0.00 0.00 57.03 56.67 2wdx h ASP 394 Cb 1.11 0.31 -0.29 0.00 0.22 0.00 0.00 39.33 40.69 2wdx h ASP 394 CO 0.87 -0.22 -0.66 -0.47 -1.72 0.00 0.00 179.24 177.04 2wdx s TYR 395 N -6.14 -0.06 -0.12 4.55 5.04 -0.93 -4.78 117.35 114.92 2wdx s TYR 395 Ca -0.14 0.18 -0.19 0.00 -2.44 0.00 0.00 57.07 54.48 2wdx s TYR 395 Cb 0.13 -0.02 0.04 0.00 0.35 0.00 0.00 41.96 42.46 2wdx s TYR 395 CO 0.69 -0.05 0.47 0.20 -1.34 0.00 0.00 175.55 175.52 2wdx s GLY 396 N 0.27 -0.34 -0.14 8.97 0.00 -1.26 -1.86 107.32 112.96 2wdx s GLY 396 Ca -0.02 1.08 -0.29 0.00 0.00 0.00 0.00 44.72 45.49 2wdx s GLY 396 CO -0.01 0.86 0.79 0.00 0.00 0.00 0.00 173.10 174.75 2wdx s ALA 397 N -0.39 -1.83 -0.16 3.20 0.00 0.39 -2.93 121.76 120.03 2wdx s ALA 397 Ca -0.05 1.57 -0.03 0.00 0.00 0.00 0.00 51.96 53.45 2wdx s ALA 397 Cb -0.03 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 2wdx s ALA 397 CO 0.03 -0.34 -0.07 0.08 0.00 0.00 0.00 175.76 175.47 2wdx s VAL 398 N -0.73 3.49 -0.13 0.00 1.01 -0.62 -0.10 120.40 123.32 2wdx s VAL 398 Ca -0.05 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.44 2wdx s VAL 398 Cb -0.02 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 2wdx s VAL 398 CO 0.05 0.48 -0.15 0.26 0.00 0.00 0.00 175.10 175.75 2wdx s TRP 399 N 0.65 2.78 -0.32 5.22 0.52 -0.01 -0.57 118.94 127.22 2wdx s TRP 399 Ca -0.04 -0.76 -0.06 0.00 0.02 0.00 0.00 56.10 55.27 2wdx s TRP 399 Cb -0.15 -1.84 0.03 0.00 -1.15 0.00 0.00 33.47 30.37 2wdx s TRP 399 CO 0.02 -0.28 0.08 -0.51 0.02 0.00 0.00 176.95 176.28 2wdx s LEU 400 N 0.44 4.10 -0.26 2.99 1.02 -0.03 -1.21 118.68 125.74 2wdx s LEU 400 Ca -0.11 -1.03 -0.10 0.00 0.02 0.00 0.00 54.13 52.91 2wdx s LEU 400 Cb -0.16 -1.85 -0.05 0.00 0.02 0.00 0.00 46.19 44.16 2wdx s LEU 400 CO 0.05 -0.28 0.15 -0.63 0.02 0.00 0.00 176.35 175.67 2wdx s ILE 401 N 1.41 5.08 0.28 -0.59 -1.09 0.27 -1.04 121.20 125.53 2wdx s ILE 401 Ca -0.01 0.09 -0.29 0.00 -2.23 0.00 0.00 60.65 58.21 2wdx s ILE 401 Cb -0.19 -3.39 -0.14 0.00 -1.58 0.00 0.00 42.46 37.16 2wdx s ILE 401 CO 0.02 0.30 1.15 0.61 -1.23 0.00 0.00 174.94 175.79 2wdx n GLY 402 N 4.77 0.13 1.31 6.18 0.00 -0.08 -0.63 105.19 116.87 2wdx n GLY 402 Ca -0.15 0.37 -0.04 0.00 0.00 0.00 0.00 46.02 46.20 2wdx n GLY 402 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2wdx n TYR 403 N 0.61 -1.33 0.00 1.61 9.36 -0.98 -4.76 117.16 121.66 2wdx n TYR 403 Ca 0.09 -0.70 0.00 0.00 3.32 0.00 0.00 57.90 60.61 2wdx n TYR 403 Cb 0.32 0.30 0.00 0.00 -0.63 0.00 0.00 39.34 39.33 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 -0.19 0.84 6.27 2.98 0.00 -1.23 -4.58 105.19 109.28 2wdx n GLY 404 Ca -0.02 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.06 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 2.13 0.37 -0.02 0.00 -0.39 -1.51 105.19 105.78 2wdx n GLY 405 Ca 0.00 0.13 0.20 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.96 1.61 1.63 -0.79 0.23 116.57 118.29 2wdx h LYS 406 Ca 0.00 0.00 0.30 0.00 -0.85 0.00 0.00 60.65 60.10 2wdx h LYS 406 Cb 0.00 0.00 -0.16 0.00 -0.60 0.00 0.00 32.23 31.47 2wdx h LYS 406 CO 0.00 0.00 0.35 0.28 -3.45 0.00 0.00 179.45 176.63 2wdx h VAL 407 N 0.00 0.19 -0.20 2.00 2.07 -1.34 -3.03 116.25 115.93 2wdx h VAL 407 Ca 0.22 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.69 2wdx h VAL 407 Cb 0.94 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2wdx h VAL 407 CO -0.00 0.03 0.00 0.59 0.02 0.00 0.00 177.57 178.21 2wdx n ASN 408 N -5.24 1.51 -1.19 0.57 3.02 0.82 -3.23 115.26 111.51 2wdx n ASN 408 Ca 0.28 -2.08 0.11 0.00 -0.03 0.00 0.00 54.58 52.86 2wdx n ASN 408 Cb 0.91 -0.26 0.28 0.00 -0.61 0.00 0.00 39.78 40.09 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 0.14 0.75 -4.22 3.41 -2.24 -1.15 -4.84 114.28 106.13 2wdx n THR 409 Ca 0.07 -0.83 -0.35 0.00 -2.27 0.00 0.00 64.05 60.67 2wdx n THR 409 Cb 0.28 0.62 -0.09 0.00 -2.10 0.00 0.00 70.33 69.04 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 -1.25 4.60 0.21 2.28 1.01 -1.20 -5.07 120.40 120.98 2wdx s VAL 410 Ca 0.43 -0.13 -0.32 0.00 0.00 0.00 0.00 61.98 61.96 2wdx s VAL 410 Cb 0.23 -2.97 -0.13 0.00 0.00 0.00 0.00 36.38 33.51 2wdx s VAL 410 CO 0.31 0.58 1.65 -0.67 0.00 0.00 0.00 175.10 176.97 2wdx n ASP 411 N 2.37 3.67 0.22 3.32 -0.08 -1.26 -4.72 116.55 120.07 2wdx n ASP 411 Ca -0.19 1.09 0.17 0.00 -1.51 0.00 0.00 54.79 54.35 2wdx n ASP 411 Cb 0.54 -1.53 0.75 0.00 2.34 0.00 0.00 41.12 43.22 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 6.08 0.00 0.00 -0.67 0.11 -1.83 0.33 132.00 136.03 2wdx h PRO 412 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2wdx h PRO 412 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2wdx h PRO 412 CO 0.90 0.00 -1.26 0.00 -0.21 0.00 0.00 178.00 177.43 2wdx n ALA 413 N -2.09 2.95 0.20 -0.75 0.00 -1.26 -4.04 120.51 115.52 2wdx n ALA 413 Ca 0.03 -0.37 0.04 0.00 0.00 0.00 0.00 53.44 53.14 2wdx n ALA 413 Cb 0.53 -0.96 0.41 0.00 0.00 0.00 0.00 19.45 19.42 2wdx n ALA 413 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdx h ALA 414 N 2.22 1.30 -5.01 0.00 0.00 -1.26 -3.44 119.26 113.07 2wdx h ALA 414 Ca 0.00 -0.31 -0.61 0.00 0.00 0.00 0.00 54.91 53.99 2wdx h ALA 414 Cb 0.89 -0.05 -0.13 0.00 0.00 0.00 0.00 17.79 18.50 2wdx h ALA 414 CO 0.00 0.42 -0.48 0.25 0.00 0.00 0.00 179.25 179.45 2wdx n THR 415 N -3.93 0.00 1.10 0.00 -2.24 -1.25 -5.04 114.28 102.92 2wdx n THR 415 Ca -0.02 -2.41 0.14 0.00 -2.27 0.00 0.00 64.05 59.49 2wdx n THR 415 Cb 0.40 0.69 0.57 0.00 -2.10 0.00 0.00 70.33 69.89 2wdx n THR 415 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wdx n ALA 416 N -1.20 2.61 -2.62 6.98 0.00 -0.78 -4.67 120.51 120.83 2wdx n ALA 416 Ca -0.18 -0.17 -0.43 0.00 0.00 0.00 0.00 53.44 52.66 2wdx n ALA 416 Cb 0.63 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 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 -2.89 3.96 0.25 0.00 1.43 -1.17 -4.66 118.68 115.60 2wdx s LEU 417 Ca 0.17 0.78 0.25 0.00 -1.03 0.00 0.00 54.13 54.30 2wdx s LEU 417 Cb 0.19 -3.38 0.56 0.00 0.03 0.00 0.00 46.19 43.59 2wdx s LEU 417 CO 0.55 -0.86 1.61 1.55 0.23 0.00 0.00 176.35 179.43 2wdx h PRO 418 N 8.32 0.00 -4.91 1.29 0.13 -1.82 -3.43 132.00 131.58 2wdx h PRO 418 Ca -0.22 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.19 2wdx h PRO 418 Cb 1.07 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.03 2wdx h PRO 418 CO 1.00 0.00 1.20 -0.65 -0.23 0.00 0.00 178.00 179.32 2wdx s GLN 419 N -3.16 3.90 -0.37 0.86 1.11 -1.26 -4.56 119.66 116.20 2wdx s GLN 419 Ca 0.08 -2.25 0.06 0.00 0.01 0.00 0.00 55.36 53.27 2wdx s GLN 419 Cb 0.10 -5.03 0.54 0.00 -1.01 0.00 0.00 33.01 27.61 2wdx s GLN 419 CO 0.65 -1.79 1.61 0.54 0.01 0.00 0.00 175.29 176.30 2wdx n ARG 420 N 6.12 2.14 0.00 2.91 5.12 -1.26 -4.36 116.66 127.33 2wdx n ARG 420 Ca 0.33 -3.24 0.00 0.00 -1.93 0.00 0.00 57.85 53.01 2wdx n ARG 420 Cb 0.45 -1.98 0.00 0.00 -1.16 0.00 0.00 32.46 29.77 2wdx n ARG 420 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2wdx n ASP 421 N -1.08 1.27 -4.77 0.55 -0.08 -1.26 -4.39 116.55 106.79 2wdx n ASP 421 Ca 0.43 -0.02 -0.33 0.00 -1.51 0.00 0.00 54.79 53.36 2wdx n ASP 421 Cb 1.16 0.29 0.04 0.00 2.34 0.00 0.00 41.12 44.94 2wdx n ASP 421 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2wdx s ALA 422 N -0.54 2.50 -0.08 -1.67 0.00 -1.26 -4.76 121.76 115.94 2wdx s ALA 422 Ca 0.00 0.61 0.08 0.00 0.00 0.00 0.00 51.96 52.65 2wdx s ALA 422 Cb 0.00 -3.33 -0.12 0.00 0.00 0.00 0.00 23.12 19.66 2wdx s ALA 422 CO 0.00 -1.21 0.22 0.44 0.00 0.00 0.00 175.76 175.21 2wdx n ILE 423 N -2.23 0.00 -3.94 0.00 -5.35 0.13 -3.58 119.36 104.39 2wdx n ILE 423 Ca 0.11 -0.22 -0.10 0.00 -0.27 0.00 0.00 62.75 62.28 2wdx n ILE 423 Cb 0.52 0.43 -0.06 0.00 -1.74 0.00 0.00 39.64 38.79 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 -3.37 0.61 0.09 7.28 1.43 -1.15 -2.33 118.68 121.24 2wdx s LEU 424 Ca -0.02 -0.84 0.08 0.00 -1.03 0.00 0.00 54.13 52.32 2wdx s LEU 424 Cb 0.06 1.50 -0.03 0.00 0.03 0.00 0.00 46.19 47.74 2wdx s LEU 424 CO 0.35 -0.99 -0.20 -0.54 0.23 0.00 0.00 176.35 175.20 2wdx s LYS 425 N -3.97 1.13 -0.06 1.70 1.02 0.20 -2.37 119.74 117.38 2wdx s LYS 425 Ca 0.18 -1.09 -0.00 0.00 0.02 0.00 0.00 55.97 55.08 2wdx s LYS 425 Cb 0.01 -1.35 0.02 0.00 -0.52 0.00 0.00 37.83 36.00 2wdx s LYS 425 CO 0.03 0.32 -0.03 0.54 -0.92 0.00 0.00 175.35 175.28 2wdx s VAL 426 N -1.10 0.54 -0.03 3.17 0.11 -0.38 0.96 120.40 123.67 2wdx s VAL 426 Ca 0.06 -0.05 0.04 0.00 -2.93 0.00 0.00 61.98 59.10 2wdx s VAL 426 Cb -0.10 -0.61 -0.03 0.00 -1.53 0.00 0.00 36.38 34.11 2wdx s VAL 426 CO 0.04 0.26 -0.14 0.20 -3.33 0.00 0.00 175.10 172.12 2wdx s ASN 427 N 1.40 4.08 -0.28 3.54 0.01 -0.35 -0.95 114.94 122.39 2wdx s ASN 427 Ca -0.03 -0.22 0.01 0.00 -0.71 0.00 0.00 52.86 51.91 2wdx s ASN 427 Cb -0.13 -0.84 0.06 0.00 0.41 0.00 0.00 41.25 40.74 2wdx s ASN 427 CO -0.03 0.32 -0.06 -0.31 -1.51 0.00 0.00 177.10 175.52 2wdx s TYR 428 N -0.80 3.31 -0.05 2.20 1.51 0.69 -0.83 117.35 123.38 2wdx s TYR 428 Ca 0.13 -2.24 0.05 0.00 -1.01 0.00 0.00 57.07 54.00 2wdx s TYR 428 Cb -0.11 -2.09 -0.02 0.00 -0.11 0.00 0.00 41.96 39.64 2wdx s TYR 428 CO 0.02 -0.86 -0.21 0.42 -1.11 0.00 0.00 175.55 173.80 2wdx s ILE 429 N 1.13 2.41 0.00 2.71 1.01 0.86 -0.81 121.20 128.52 2wdx s ILE 429 Ca -0.06 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.64 2wdx s ILE 429 Cb -0.20 -1.90 -0.00 0.00 0.01 0.00 0.00 42.46 40.37 2wdx s ILE 429 CO -0.04 0.57 -0.01 0.28 0.00 0.00 0.00 174.94 175.75 2wdx s THR 430 N -0.36 0.04 0.06 2.92 -1.32 -0.29 -0.46 115.64 116.23 2wdx s THR 430 Ca 0.03 -0.06 0.02 0.00 -1.21 0.00 0.00 61.69 60.46 2wdx s THR 430 Cb -0.12 -0.05 -0.03 0.00 -1.51 0.00 0.00 72.50 70.78 2wdx s THR 430 CO 0.02 -0.01 -0.07 -0.83 -2.21 0.00 0.00 174.62 171.52 2wdx s GLY 431 N -0.07 0.59 -0.06 6.08 0.00 -0.78 -0.94 107.32 112.13 2wdx s GLY 431 Ca -0.00 -1.03 -0.17 0.00 0.00 0.00 0.00 44.72 43.52 2wdx s GLY 431 CO -0.00 -1.11 0.39 0.66 0.00 0.00 0.00 173.10 173.04 2wdx s TRP 432 N -2.52 -0.33 -0.05 1.90 -2.14 -1.06 -2.18 118.94 112.56 2wdx s TRP 432 Ca -0.00 0.64 -0.05 0.00 2.66 0.00 0.00 56.10 59.35 2wdx s TRP 432 Cb -0.02 0.15 -0.28 0.00 -3.10 0.00 0.00 33.47 30.22 2wdx s TRP 432 CO -0.03 -0.36 0.66 0.00 -2.66 0.00 0.00 176.95 174.56 2wdx h ALA 433 N 4.29 0.33 -3.05 2.67 0.00 -1.98 -3.31 119.26 118.21 2wdx h ALA 433 Ca -0.28 -1.23 -0.65 0.00 0.00 0.00 0.00 54.91 52.75 2wdx h ALA 433 Cb 1.17 0.46 -0.24 0.00 0.00 0.00 0.00 17.79 19.18 2wdx h ALA 433 CO 0.35 1.19 -0.67 1.21 0.00 0.00 0.00 179.25 181.33 2wdx s ASN 434 N -7.00 4.73 0.63 0.00 3.84 -1.26 -4.93 114.94 110.95 2wdx s ASN 434 Ca -0.14 -0.26 0.29 0.00 0.21 0.00 0.00 52.86 52.96 2wdx s ASN 434 Cb 0.06 -1.82 1.52 0.00 -0.55 0.00 0.00 41.25 40.46 2wdx s ASN 434 CO 0.83 0.02 1.89 1.55 -2.79 0.00 0.00 177.10 178.60 2wdx h PRO 435 N 7.83 0.00 0.00 0.43 0.13 -2.01 0.76 132.00 139.14 2wdx h PRO 435 Ca -0.38 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 2wdx h PRO 435 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2wdx h PRO 435 CO 0.60 0.00 -0.03 0.78 -0.23 0.00 0.00 178.00 179.12 2wdx h GLY 436 N 0.00 0.00 -0.98 1.56 0.00 -2.00 -2.55 103.07 99.10 2wdx h GLY 436 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2wdx h GLY 436 CO -0.00 0.00 -0.04 0.70 0.00 0.00 0.00 176.54 177.20 2wdx n ASN 437 N -3.23 2.04 -0.26 0.19 5.03 0.26 -4.55 115.26 114.74 2wdx n ASN 437 Ca -0.02 -1.65 -0.12 0.00 0.87 0.00 0.00 54.58 53.67 2wdx n ASN 437 Cb 0.18 0.03 -0.10 0.00 -1.02 0.00 0.00 39.78 38.88 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 3.15 -0.20 -0.48 3.52 4.81 -1.54 -2.98 114.58 120.86 2wdx h GLU 438 Ca 0.00 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.34 2wdx h GLU 438 Cb 0.70 0.05 -0.10 0.00 0.63 0.00 0.00 28.75 30.02 2wdx h GLU 438 CO 0.00 -0.13 -0.19 0.00 -0.73 0.00 0.00 179.01 177.96 2wdx h ALA 439 N 0.18 0.20 -0.35 2.92 0.00 -1.83 -0.41 119.26 119.97 2wdx h ALA 439 Ca 0.11 0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.26 2wdx h ALA 439 Cb 0.50 0.48 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 2wdx h ALA 439 CO -0.74 -0.52 0.02 -0.22 0.00 0.00 0.00 179.25 177.80 2wdx h LYS 440 N -0.08 0.13 -0.48 0.00 1.63 -1.88 -1.15 116.57 114.74 2wdx h LYS 440 Ca 0.23 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.00 2wdx h LYS 440 Cb 0.43 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.01 2wdx h LYS 440 CO -0.54 0.08 0.22 0.45 -3.45 0.00 0.00 179.45 176.21 2wdx h HIS 441 N 0.13 0.70 -0.39 1.91 3.86 -1.14 -0.33 115.15 119.89 2wdx h HIS 441 Ca 0.17 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2wdx h HIS 441 Cb 0.22 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 2wdx h HIS 441 CO -0.22 0.57 0.24 -0.07 0.86 0.00 0.00 177.93 179.31 2wdx h LEU 442 N 0.63 0.46 -0.85 2.43 3.38 -0.89 -2.02 115.31 118.44 2wdx h LEU 442 Ca 0.16 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2wdx h LEU 442 Cb 0.15 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2wdx h LEU 442 CO -0.02 0.36 0.43 0.71 0.09 0.00 0.00 178.44 180.01 2wdx h THR 443 N 0.51 1.26 -0.23 0.22 1.35 -1.11 -1.95 112.91 112.95 2wdx h THR 443 Ca 0.14 -0.70 0.03 0.00 -0.55 0.00 0.00 66.41 65.32 2wdx h THR 443 Cb -0.02 0.15 -0.03 0.00 -1.73 0.00 0.00 68.15 66.53 2wdx h THR 443 CO -0.03 0.31 0.07 -0.25 -0.25 0.00 0.00 175.52 175.37 2wdx h TRP 444 N 1.21 0.12 0.00 4.73 7.01 -0.72 -0.67 115.95 127.63 2wdx h TRP 444 Ca 0.29 0.01 -0.11 0.00 2.11 0.00 0.00 58.89 61.19 2wdx h TRP 444 Cb 0.09 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.12 2wdx h TRP 444 CO 0.01 0.06 -0.54 -0.24 -2.79 0.00 0.00 178.44 174.94 2wdx h VAL 445 N 0.17 0.93 -0.18 2.65 3.04 -1.32 -2.24 116.25 119.30 2wdx h VAL 445 Ca 0.10 -2.30 -0.05 0.00 -1.01 0.00 0.00 66.70 63.44 2wdx h VAL 445 Cb 0.08 2.45 -0.00 0.00 -2.01 0.00 0.00 31.29 31.81 2wdx h VAL 445 CO -0.11 0.53 -0.07 0.03 -1.01 0.00 0.00 177.57 176.93 2wdx h ARG 446 N 0.00 0.36 0.09 4.17 3.08 -1.31 -2.58 114.38 118.19 2wdx h ARG 446 Ca -0.01 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 59.90 2wdx h ARG 446 Cb 1.41 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.41 2wdx h ARG 446 CO 0.07 0.66 -0.43 -0.22 -1.07 0.00 0.00 179.97 178.98 2wdx h LYS 447 N 0.05 -0.58 -0.99 0.04 1.63 -1.08 0.10 116.57 115.75 2wdx h LYS 447 Ca 0.04 0.04 0.21 0.00 -0.85 0.00 0.00 60.65 60.09 2wdx h LYS 447 Cb 0.55 0.13 -0.19 0.00 -0.60 0.00 0.00 32.23 32.12 2wdx h LYS 447 CO 0.02 -0.38 -0.20 1.25 -3.45 0.00 0.00 179.45 176.69 2wdx h LEU 448 N -0.60 -0.84 -0.05 5.20 6.46 -1.43 -0.01 115.31 124.04 2wdx h LEU 448 Ca -0.00 0.29 -0.08 0.00 -0.12 0.00 0.00 57.88 57.97 2wdx h LEU 448 Cb 0.61 0.59 0.00 0.00 -0.73 0.00 0.00 40.66 41.13 2wdx h LEU 448 CO -0.24 -0.33 -0.29 0.22 -0.62 0.00 0.00 178.44 177.18 2wdx h TYR 449 N 0.00 0.39 -0.50 1.25 3.20 -1.07 -1.49 116.97 118.75 2wdx h TYR 449 Ca 0.50 -0.18 0.04 0.00 3.14 0.00 0.00 58.73 62.23 2wdx h TYR 449 Cb 0.82 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.99 2wdx h TYR 449 CO -0.72 0.92 0.27 0.00 -1.64 0.00 0.00 178.16 176.99 2wdx h ALA 450 N 0.39 0.63 -0.14 1.82 0.00 -0.37 -2.08 119.26 119.52 2wdx h ALA 450 Ca -0.02 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2wdx h ALA 450 Cb 0.96 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2wdx h ALA 450 CO 0.06 -0.06 0.07 -0.44 0.00 0.00 0.00 179.25 178.88 2wdx h ASP 451 N 0.53 0.11 -0.86 0.00 5.19 -1.01 -0.06 116.42 120.32 2wdx h ASP 451 Ca 0.21 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.64 2wdx h ASP 451 Cb 0.09 -0.02 -0.05 0.00 0.18 0.00 0.00 39.33 39.53 2wdx h ASP 451 CO -0.13 0.09 0.57 0.58 -3.12 0.00 0.00 179.24 177.23 2wdx h VAL 452 N 0.15 1.19 -0.86 -1.35 2.07 -1.16 -2.63 116.25 113.67 2wdx h VAL 452 Ca 0.05 -0.39 -0.58 0.00 0.82 0.00 0.00 66.70 66.61 2wdx h VAL 452 Cb 0.00 -0.04 -0.32 0.00 -1.52 0.00 0.00 31.29 29.42 2wdx h VAL 452 CO -0.03 0.21 0.26 -1.22 0.02 0.00 0.00 177.57 176.80 2wdx n TYR 453 N -4.42 2.87 -0.24 1.57 4.01 -0.79 -4.71 117.16 115.44 2wdx n TYR 453 Ca 0.10 -2.56 -0.05 0.00 -0.16 0.00 0.00 57.90 55.24 2wdx n TYR 453 Cb 0.06 -0.99 0.06 0.00 -0.31 0.00 0.00 39.34 38.16 2wdx n TYR 453 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2wdx h ALA 454 N 1.88 0.87 0.00 -0.72 0.00 -0.61 0.41 119.26 121.09 2wdx h ALA 454 Ca 0.50 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.34 2wdx h ALA 454 Cb 1.27 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2wdx h ALA 454 CO 1.19 0.25 -0.17 0.93 0.00 0.00 0.00 179.25 181.44 2wdx h GLU 455 N 0.88 0.00 -0.29 0.00 5.08 -1.85 -3.30 114.58 115.10 2wdx h GLU 455 Ca 0.26 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.42 2wdx h GLU 455 Cb -0.06 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.05 2wdx h GLU 455 CO -0.07 0.17 -0.51 0.25 -1.00 0.00 0.00 179.01 177.85 2wdx n THR 456 N -3.70 2.38 -0.52 1.13 -2.24 -0.97 -4.94 114.28 105.42 2wdx n THR 456 Ca -0.02 -3.46 0.00 0.00 -2.27 0.00 0.00 64.05 58.31 2wdx n THR 456 Cb 0.29 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 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 -1.00 0.69 2.96 3.38 0.00 -1.14 -3.92 105.19 106.17 2wdx n GLY 457 Ca 0.29 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.52 1.55 3.31 -0.02 0.00 0.14 -2.76 105.19 104.90 2wdx n GLY 458 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.69 1.62 -0.01 1.61 -7.23 -1.25 -4.00 120.40 107.44 2wdx s VAL 459 Ca 0.00 -2.05 -0.05 0.00 -1.81 0.00 0.00 61.98 58.08 2wdx s VAL 459 Cb 0.00 -1.89 -0.20 0.00 0.56 0.00 0.00 36.38 34.85 2wdx s VAL 459 CO 0.00 -0.52 2.87 -2.65 -0.31 0.00 0.00 175.10 174.49 2wdx n PRO 460 N -0.06 1.53 -1.43 4.82 -0.02 -1.26 -4.71 135.00 133.87 2wdx n PRO 460 Ca -0.11 -0.77 -0.56 0.00 -2.02 0.00 0.00 63.50 60.05 2wdx n PRO 460 Cb 0.59 -1.88 -0.08 0.00 -0.02 0.00 0.00 33.50 32.11 2wdx n PRO 460 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2wdx n VAL 461 N 2.63 0.00 -1.66 -1.45 0.31 -1.26 -1.49 118.33 115.41 2wdx n VAL 461 Ca 0.33 0.00 -0.57 0.00 -0.01 0.00 0.00 64.34 64.09 2wdx n VAL 461 Cb 0.69 -0.24 -0.07 0.00 -0.91 0.00 0.00 33.84 33.31 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 2.51 0.94 -0.02 5.55 -0.02 -1.26 -4.64 135.00 138.06 2wdx n PRO 462 Ca 0.23 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2wdx n PRO 462 Cb 0.00 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 2wdx n PRO 462 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2wdx n ASN 463 N 3.99 0.00 0.02 2.55 5.15 0.17 -4.95 115.26 122.19 2wdx n ASN 463 Ca 0.24 -0.01 -0.10 0.00 -0.60 0.00 0.00 54.58 54.11 2wdx n ASN 463 Cb 0.13 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.24 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 0.00 0.07 0.00 1.20 3.45 -2.02 -3.41 116.42 115.71 2wdx h ASP 464 Ca 0.00 -0.12 -0.36 0.00 0.43 0.00 0.00 57.03 56.99 2wdx h ASP 464 Cb 0.00 -0.02 -0.06 0.00 -0.56 0.00 0.00 39.33 38.69 2wdx h ASP 464 CO 0.00 1.10 -2.31 1.33 -1.57 0.00 0.00 179.24 177.79 2wdx n VAL 465 N -3.22 1.30 -3.68 -1.35 0.24 -1.26 -4.16 118.33 106.20 2wdx n VAL 465 Ca -0.12 -0.45 -0.25 0.00 -2.04 0.00 0.00 64.34 61.48 2wdx n VAL 465 Cb 1.01 -1.46 -0.03 0.00 -1.47 0.00 0.00 33.84 31.90 2wdx n VAL 465 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2wdx s SER 466 N -6.49 6.35 -0.18 -1.34 0.01 -1.26 0.17 113.70 110.97 2wdx s SER 466 Ca -0.31 0.35 0.23 0.00 1.31 0.00 0.00 55.95 57.53 2wdx s SER 466 Cb 0.09 -1.99 0.48 0.00 0.21 0.00 0.00 66.02 64.81 2wdx s SER 466 CO 0.49 -0.10 1.14 -0.67 0.41 0.00 0.00 173.24 174.51 2wdx n ASP 467 N -1.03 1.28 0.00 2.44 2.03 -1.17 0.46 116.55 120.56 2wdx n ASP 467 Ca -0.06 -2.02 0.00 0.00 0.52 0.00 0.00 54.79 53.24 2wdx n ASP 467 Cb 0.55 -0.38 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 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 -0.28 0.26 3.26 0.27 0.00 -0.56 -4.72 105.19 103.43 2wdx n GLY 468 Ca 0.06 -1.28 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.75 1.19 -0.19 4.61 0.00 -0.54 -0.36 121.76 124.72 2wdx s ALA 469 Ca 0.00 -1.71 -0.02 0.00 0.00 0.00 0.00 51.96 50.23 2wdx s ALA 469 Cb 0.00 1.37 -0.01 0.00 0.00 0.00 0.00 23.12 24.49 2wdx s ALA 469 CO 0.00 -0.64 -0.09 -0.47 0.00 0.00 0.00 175.76 174.57 2wdx s TYR 470 N -3.95 2.90 -0.05 0.00 5.04 -1.26 -4.13 117.35 115.90 2wdx s TYR 470 Ca 0.38 -0.93 0.29 0.00 -2.44 0.00 0.00 57.07 54.37 2wdx s TYR 470 Cb 0.05 -2.00 1.41 0.00 0.35 0.00 0.00 41.96 41.76 2wdx s TYR 470 CO 0.16 -0.47 1.88 0.97 -1.34 0.00 0.00 175.55 176.74 2wdx h ILE 471 N 5.64 0.00 -0.00 3.14 6.09 -1.86 0.16 117.51 130.67 2wdx h ILE 471 Ca -0.37 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 62.96 2wdx h ILE 471 Cb 1.17 0.91 0.00 0.00 0.47 0.00 0.00 36.82 39.37 2wdx h ILE 471 CO 0.60 0.00 -0.04 0.59 -3.07 0.00 0.00 178.15 176.22 2wdx n ASN 472 N -2.57 0.22 -3.46 2.19 3.02 -1.25 -3.42 115.26 109.99 2wdx n ASN 472 Ca -0.00 -0.48 -0.30 0.00 -0.03 0.00 0.00 54.58 53.77 2wdx n ASN 472 Cb 0.15 -0.15 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 2wdx n ASN 472 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2wdx n TYR 473 N -1.08 3.46 -2.07 3.10 4.01 0.55 -4.81 117.16 120.33 2wdx n TYR 473 Ca 0.16 -3.85 -0.38 0.00 -0.16 0.00 0.00 57.90 53.67 2wdx n TYR 473 Cb 0.24 -0.68 0.00 0.00 -0.31 0.00 0.00 39.34 38.59 2wdx n TYR 473 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2wdx s PRO 474 N -2.70 3.71 -0.22 -0.72 0.04 -1.22 -4.75 135.00 129.15 2wdx s PRO 474 Ca 0.40 2.04 -0.04 0.00 0.04 0.00 0.00 61.00 63.44 2wdx s PRO 474 Cb 0.15 -2.53 0.09 0.00 0.04 0.00 0.00 34.50 32.26 2wdx s PRO 474 CO -0.01 -0.66 0.20 0.34 0.04 0.00 0.00 177.00 176.91 2wdx s ASP 475 N -1.00 1.79 0.00 6.66 2.15 -1.26 -4.39 116.67 120.61 2wdx s ASP 475 Ca 0.62 -0.46 0.30 0.00 0.43 0.00 0.00 52.55 53.45 2wdx s ASP 475 Cb -0.35 0.22 1.50 0.00 -0.30 0.00 0.00 42.92 43.99 2wdx s ASP 475 CO 0.44 -0.35 2.05 -1.54 -0.17 0.00 0.00 175.17 175.59 2wdx n SER 476 N 5.30 0.00 -0.34 -0.34 3.41 -1.26 -2.44 113.62 117.96 2wdx n SER 476 Ca -0.05 -0.09 -0.01 0.00 -0.26 0.00 0.00 58.87 58.45 2wdx n SER 476 Cb 0.48 -0.30 0.14 0.00 -0.26 0.00 0.00 64.21 64.27 2wdx n SER 476 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2wdx h ASP 477 N 0.00 1.09 0.17 4.04 5.19 -1.95 -1.95 116.42 123.02 2wdx h ASP 477 Ca 0.00 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2wdx h ASP 477 Cb 0.31 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.54 2wdx h ASP 477 CO 0.00 0.79 0.00 0.18 -3.12 0.00 0.00 179.24 177.09 2wdx n LEU 478 N -4.39 0.00 -0.45 1.55 4.77 -1.02 -0.46 117.00 117.01 2wdx n LEU 478 Ca 0.11 0.30 0.05 0.00 -0.03 0.00 0.00 56.01 56.44 2wdx n LEU 478 Cb 0.02 -0.30 0.08 0.00 -2.33 0.00 0.00 43.42 40.88 2wdx n LEU 478 CO 0.37 -0.22 0.49 0.00 -1.33 0.00 0.00 177.39 176.70 2wdx n ALA 479 N -1.30 2.35 -2.58 -1.18 0.00 -0.74 -3.45 120.51 113.60 2wdx n ALA 479 Ca 0.04 -0.80 -0.41 0.00 0.00 0.00 0.00 53.44 52.27 2wdx n ALA 479 Cb 0.07 -0.34 -0.08 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.88 6.36 0.57 0.00 3.68 0.40 -4.94 116.67 121.87 2wdx s ASP 480 Ca 0.15 0.18 0.27 0.00 2.13 0.00 0.00 52.55 55.27 2wdx s ASP 480 Cb 0.09 -2.28 1.63 0.00 -1.45 0.00 0.00 42.92 40.91 2wdx s ASP 480 CO 0.13 -0.42 2.16 1.55 0.13 0.00 0.00 175.17 178.71 2wdx h PRO 481 N 8.31 0.00 -0.19 4.34 0.13 -1.85 1.48 132.00 144.22 2wdx h PRO 481 Ca -0.28 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.64 2wdx h PRO 481 Cb 1.13 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.27 2wdx h PRO 481 CO 0.76 0.00 -0.71 0.78 -0.23 0.00 0.00 178.00 178.60 2wdx h GLY 482 N 0.00 0.89 0.52 1.56 0.00 -1.91 -3.36 103.07 100.76 2wdx h GLY 482 Ca 0.05 -1.18 -0.35 0.00 0.00 0.00 0.00 47.33 45.85 2wdx h GLY 482 CO -0.00 1.06 -2.06 1.04 0.00 0.00 0.00 176.54 176.58 2wdx n LEU 483 N -3.95 1.64 -4.30 3.11 7.99 0.17 -4.63 117.00 117.02 2wdx n LEU 483 Ca -0.06 0.18 -0.45 0.00 -0.01 0.00 0.00 56.01 55.66 2wdx n LEU 483 Cb 0.71 -0.37 -0.06 0.00 -0.11 0.00 0.00 43.42 43.60 2wdx n LEU 483 CO 0.52 0.65 0.12 0.21 -1.51 0.00 0.00 177.39 177.38 2wdx s ASN 484 N -6.36 6.14 0.00 -1.43 2.47 0.48 -4.86 114.94 111.38 2wdx s ASN 484 Ca -0.16 -1.77 0.10 0.00 0.42 0.00 0.00 52.86 51.44 2wdx s ASN 484 Cb 0.07 -2.19 0.26 0.00 -1.45 0.00 0.00 41.25 37.95 2wdx s ASN 484 CO 0.77 -0.83 1.20 0.35 -3.72 0.00 0.00 177.10 174.87 2wdx n THR 485 N 5.21 0.93 -1.15 -5.21 -2.24 -1.23 -4.20 114.28 106.38 2wdx n THR 485 Ca -0.13 -0.96 -0.30 0.00 -2.27 0.00 0.00 64.05 60.38 2wdx n THR 485 Cb 0.40 0.55 0.23 0.00 -2.10 0.00 0.00 70.33 69.42 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 -0.99 1.11 0.00 3.42 1.04 -1.11 -4.92 113.70 112.26 2wdx s SER 486 Ca 0.20 0.60 0.21 0.00 0.48 0.00 0.00 55.95 57.45 2wdx s SER 486 Cb 0.11 -0.83 0.92 0.00 0.10 0.00 0.00 66.02 66.31 2wdx s SER 486 CO 0.14 -4.00 1.63 0.61 0.98 0.00 0.00 173.24 172.61 2wdx n GLY 487 N -1.19 -0.17 3.52 7.32 0.00 -1.26 -4.91 105.19 108.50 2wdx n GLY 487 Ca 0.13 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.88 4.99 0.63 1.61 1.01 -1.26 -5.07 120.40 120.43 2wdx s VAL 488 Ca 0.32 -0.11 -0.15 0.00 0.00 0.00 0.00 61.98 62.03 2wdx s VAL 488 Cb 0.16 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 2wdx s VAL 488 CO 0.26 0.16 1.08 -2.84 0.00 0.00 0.00 175.10 173.76 2wdx s PRO 489 N 1.70 3.06 0.24 2.72 0.02 -1.26 -4.92 135.00 136.55 2wdx s PRO 489 Ca 0.06 1.29 -0.06 0.00 0.02 0.00 0.00 61.00 62.31 2wdx s PRO 489 Cb -0.16 -1.99 0.43 0.00 0.02 0.00 0.00 34.50 32.79 2wdx s PRO 489 CO 0.09 -1.03 1.67 0.11 -0.33 0.00 0.00 177.00 177.51 2wdx h TRP 490 N 0.23 0.17 0.00 6.54 5.08 -1.95 -1.87 115.95 124.15 2wdx h TRP 490 Ca -0.47 0.04 -0.02 0.00 1.08 0.00 0.00 58.89 59.53 2wdx h TRP 490 Cb 1.23 0.03 -0.00 0.00 -3.00 0.00 0.00 29.16 27.42 2wdx h TRP 490 CO 0.57 -0.12 -0.10 1.12 -1.28 0.00 0.00 178.44 178.62 2wdx h HIS 491 N 0.22 0.00 0.00 0.12 2.07 -1.91 0.34 115.15 115.99 2wdx h HIS 491 Ca 0.40 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.77 2wdx h HIS 491 Cb 0.68 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.64 2wdx h HIS 491 CO -0.30 0.10 -0.71 -0.44 -3.07 0.00 0.00 177.93 173.51 2wdx h ASP 492 N 0.00 0.00 0.07 3.10 3.45 -1.67 -0.62 116.42 120.75 2wdx h ASP 492 Ca -0.00 0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.31 2wdx h ASP 492 Cb 0.40 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.18 2wdx h ASP 492 CO 0.01 0.71 -0.62 -0.07 -1.57 0.00 0.00 179.24 177.70 2wdx h LEU 493 N 0.00 0.43 -0.11 1.55 3.38 -0.90 -1.98 115.31 117.68 2wdx h LEU 493 Ca -0.01 -0.87 -0.14 0.00 0.09 0.00 0.00 57.88 56.96 2wdx h LEU 493 Cb 1.43 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 42.05 2wdx h LEU 493 CO 0.09 1.26 -0.46 1.88 0.09 0.00 0.00 178.44 181.30 2wdx h TYR 494 N -0.33 0.67 0.00 1.13 0.05 -1.52 -1.44 116.97 115.53 2wdx h TYR 494 Ca -0.10 -0.29 0.00 0.00 0.05 0.00 0.00 58.73 58.39 2wdx h TYR 494 Cb 1.41 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 39.04 2wdx h TYR 494 CO 0.18 1.06 -1.18 0.66 -1.05 0.00 0.00 178.16 177.83 2wdx n TYR 495 N -4.26 0.00 -0.14 4.88 4.01 -0.24 -4.65 117.16 116.75 2wdx n TYR 495 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 2wdx n TYR 495 Cb 0.58 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 2wdx n TYR 495 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2wdx n LYS 496 N -1.68 0.00 0.21 -0.72 5.02 -0.74 -1.23 118.16 119.01 2wdx n LYS 496 Ca -0.01 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.42 2wdx n LYS 496 Cb 0.24 0.00 0.73 0.00 -0.02 0.00 0.00 35.03 35.98 2wdx n LYS 496 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2wdx h GLY 497 N 0.00 0.00 1.93 0.72 0.00 -1.95 -2.76 103.07 101.01 2wdx h GLY 497 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wdx h GLY 497 CO 0.00 0.00 -0.02 0.70 0.00 0.00 0.00 176.54 177.22 2wdx n ASN 498 N -2.49 0.02 0.04 0.19 3.02 -0.37 -4.23 115.26 111.44 2wdx n ASN 498 Ca -0.01 0.43 -0.10 0.00 -0.03 0.00 0.00 54.58 54.86 2wdx n ASN 498 Cb 0.08 -0.46 -0.04 0.00 -0.61 0.00 0.00 39.78 38.75 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 -0.41 -0.12 3.10 2.76 -1.50 -2.37 115.15 116.61 2wdx h HIS 499 Ca 0.00 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.15 2wdx h HIS 499 Cb 0.49 0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.63 2wdx h HIS 499 CO 0.00 -0.23 -0.09 -1.35 -1.30 0.00 0.00 177.93 174.96 2wdx h PRO 500 N -0.24 0.17 -0.27 5.26 0.11 -1.84 0.86 132.00 136.05 2wdx h PRO 500 Ca 0.07 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.05 2wdx h PRO 500 Cb 0.33 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 2wdx h PRO 500 CO -0.18 0.28 -0.22 -0.09 -0.21 0.00 0.00 178.00 177.57 2wdx h ARG 501 N 0.17 0.63 -0.06 1.05 2.43 -1.79 -0.70 114.38 116.10 2wdx h ARG 501 Ca 0.04 -0.31 -0.03 0.00 -0.81 0.00 0.00 59.98 58.87 2wdx h ARG 501 Cb 0.27 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 2wdx h ARG 501 CO 0.01 0.91 -0.08 -0.07 -1.51 0.00 0.00 179.97 179.23 2wdx h LEU 502 N 0.36 0.08 -0.43 3.80 3.38 -1.06 -0.68 115.31 120.76 2wdx h LEU 502 Ca 0.05 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 2wdx h LEU 502 Cb 0.77 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2wdx h LEU 502 CO 0.06 0.18 -0.29 0.03 0.09 0.00 0.00 178.44 178.50 2wdx h ARG 503 N 0.08 0.95 -0.35 1.13 3.08 -0.62 -1.56 114.38 117.10 2wdx h ARG 503 Ca 0.02 -0.45 -0.01 0.00 0.07 0.00 0.00 59.98 59.61 2wdx h ARG 503 Cb 0.21 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2wdx h ARG 503 CO 0.01 1.11 0.19 -0.22 -1.07 0.00 0.00 179.97 180.00 2wdx h LYS 504 N 0.78 0.49 -0.60 0.04 3.64 -0.10 0.53 116.57 121.36 2wdx h LYS 504 Ca 0.08 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 2wdx h LYS 504 Cb 0.88 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 2wdx h LYS 504 CO 0.08 0.42 0.19 0.28 -2.27 0.00 0.00 179.45 178.15 2wdx h VAL 505 N 0.44 1.24 -0.38 2.00 2.07 -1.18 -0.03 116.25 120.41 2wdx h VAL 505 Ca 0.12 -0.82 0.05 0.00 0.82 0.00 0.00 66.70 66.88 2wdx h VAL 505 Cb 0.07 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 2wdx h VAL 505 CO -0.02 0.31 0.11 0.50 0.02 0.00 0.00 177.57 178.49 2wdx h LYS 506 N 0.85 0.24 -0.42 1.57 1.63 -1.13 -0.40 116.57 118.91 2wdx h LYS 506 Ca 0.19 -0.01 0.02 0.00 -0.85 0.00 0.00 60.65 60.00 2wdx h LYS 506 Cb 0.28 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.83 2wdx h LYS 506 CO -0.01 0.16 0.24 0.00 -3.45 0.00 0.00 179.45 176.40 2wdx h ALA 507 N 1.26 0.53 -0.37 5.00 0.00 -0.34 -1.79 119.26 123.55 2wdx h ALA 507 Ca 0.18 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2wdx h ALA 507 Cb 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2wdx h ALA 507 CO -0.20 -0.09 -0.13 0.00 0.00 0.00 0.00 179.25 178.83 2wdx h ALA 508 N 1.19 0.51 0.00 0.00 0.00 -0.79 -3.33 119.26 116.84 2wdx h ALA 508 Ca 0.17 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.62 2wdx h ALA 508 Cb 0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2wdx h ALA 508 CO -0.08 0.41 -1.93 0.66 0.00 0.00 0.00 179.25 178.30 2wdx n TYR 509 N -4.34 0.00 -3.00 0.00 4.01 -0.18 -4.65 117.16 109.00 2wdx n TYR 509 Ca -0.02 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.45 2wdx n TYR 509 Cb 0.38 -0.58 -0.04 0.00 -0.31 0.00 0.00 39.34 38.79 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 -2.32 4.50 -0.30 7.72 2.03 -0.68 -3.98 116.55 123.52 2wdx n ASP 510 Ca -0.13 -3.65 0.09 0.00 0.52 0.00 0.00 54.79 51.62 2wdx n ASP 510 Cb 0.71 -0.60 0.26 0.00 -0.72 0.00 0.00 41.12 40.76 2wdx n ASP 510 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2wdx h PRO 511 N 3.21 0.54 0.00 -0.67 0.11 -1.72 -1.17 132.00 132.31 2wdx h PRO 511 Ca 0.15 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2wdx h PRO 511 Cb 0.52 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.51 2wdx h PRO 511 CO 0.84 0.36 0.00 0.54 -0.21 0.00 0.00 178.00 179.53 2wdx n ARG 512 N -4.92 0.37 -3.84 1.05 1.74 -1.26 -4.92 116.66 104.89 2wdx n ARG 512 Ca 0.19 0.05 -0.31 0.00 -0.77 0.00 0.00 57.85 57.01 2wdx n ARG 512 Cb 0.51 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.47 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 -1.27 -3.20 0.08 0.55 5.15 -0.44 -4.90 115.26 111.24 2wdx n ASN 513 Ca 0.12 -1.05 -0.10 0.00 -0.60 0.00 0.00 54.58 52.95 2wdx n ASN 513 Cb 0.20 -3.02 -0.05 0.00 -0.53 0.00 0.00 39.78 36.37 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 -1.97 0.27 -3.54 1.20 -0.00 -1.91 -3.41 115.15 105.79 2wdx h HIS 514 Ca -0.66 -0.17 -0.71 0.00 -0.00 0.00 0.00 60.37 58.84 2wdx h HIS 514 Cb 1.37 -0.02 -0.29 0.00 -0.00 0.00 0.00 27.41 28.47 2wdx h HIS 514 CO 0.40 1.03 -0.53 -0.06 -0.00 0.00 0.00 177.93 178.77 2wdx s PHE 515 N -3.01 3.34 0.18 5.26 0.08 -1.26 -4.60 117.98 117.97 2wdx s PHE 515 Ca -0.02 -1.60 -0.12 0.00 0.12 0.00 0.00 56.93 55.31 2wdx s PHE 515 Cb 0.10 -2.74 0.00 0.00 -0.57 0.00 0.00 43.02 39.81 2wdx s PHE 515 CO 0.84 -0.82 0.38 -3.38 -0.10 0.00 0.00 175.22 172.13 2wdx s HIS 516 N 1.38 0.24 0.20 0.36 -3.43 -1.23 -4.56 115.29 108.25 2wdx s HIS 516 Ca 0.02 -0.59 -0.18 0.00 -0.80 0.00 0.00 55.06 53.50 2wdx s HIS 516 Cb -0.22 0.11 0.07 0.00 -1.43 0.00 0.00 32.58 31.11 2wdx s HIS 516 CO 0.02 -0.81 0.90 -2.39 -2.00 0.00 0.00 174.74 170.45 2wdx n HIS 517 N -0.27 -1.43 0.33 0.38 1.44 -1.26 -4.98 115.22 109.43 2wdx n HIS 517 Ca -0.08 -1.23 0.22 0.00 -2.01 0.00 0.00 57.72 54.63 2wdx n HIS 517 Cb 0.63 0.60 1.17 0.00 0.12 0.00 0.00 29.99 32.51 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 1.00 0.00 1.59 0.00 -1.94 -2.28 119.26 119.63 2wdx h ALA 518 Ca -0.25 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2wdx h ALA 518 Cb 1.09 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.80 2wdx h ALA 518 CO 0.34 0.00 -0.52 1.28 0.00 0.00 0.00 179.25 180.35 2wdx n LEU 519 N -3.07 2.16 -4.82 0.00 4.32 -1.26 -5.02 117.00 109.32 2wdx n LEU 519 Ca -0.03 -3.23 -0.33 0.00 -0.02 0.00 0.00 56.01 52.40 2wdx n LEU 519 Cb 0.09 -0.38 -0.04 0.00 -1.62 0.00 0.00 43.42 41.47 2wdx n LEU 519 CO 0.21 1.04 0.68 -0.94 -1.22 0.00 0.00 177.39 177.16 2wdx s SER 520 N -2.81 6.55 0.28 -1.43 1.04 -0.86 -5.00 113.70 111.47 2wdx s SER 520 Ca 0.34 1.75 -0.30 0.00 0.48 0.00 0.00 55.95 58.22 2wdx s SER 520 Cb 0.34 -2.54 -0.11 0.00 0.10 0.00 0.00 66.02 63.80 2wdx s SER 520 CO -0.07 -0.63 1.61 -0.63 0.98 0.00 0.00 173.24 174.50 2wdx s ILE 521 N -2.24 2.09 -0.25 -1.02 -1.09 -1.26 -4.92 121.20 112.52 2wdx s ILE 521 Ca 0.63 0.08 -0.11 0.00 -2.23 0.00 0.00 60.65 59.02 2wdx s ILE 521 Cb -0.12 -3.05 -0.05 0.00 -1.58 0.00 0.00 42.46 37.66 2wdx s ILE 521 CO 0.22 0.01 0.16 0.00 -1.23 0.00 0.00 174.94 174.10 2wdx s ARG 522 N -0.23 4.04 0.00 2.79 1.04 -1.26 -5.03 118.95 120.29 2wdx s ARG 522 Ca 0.65 -0.29 0.00 0.00 -1.04 0.00 0.00 55.73 55.05 2wdx s ARG 522 Cb -0.48 -3.56 0.00 0.00 -2.04 0.00 0.00 34.95 28.87 2wdx s ARG 522 CO 0.45 0.01 0.00 -2.30 -0.04 0.00 0.00 175.30 173.42