#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdf h LEU 31 N 0.00 0.39 0.00 -3.43 -0.00 -2.02 -3.20 115.31 107.06 2wdf h LEU 31 Ca 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.75 2wdf h LEU 31 Cb 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 40.55 2wdf h LEU 31 CO 0.00 0.67 -0.70 1.88 -0.00 0.00 0.00 178.44 180.28 2wdf h TYR 32 N 0.34 0.00 -2.58 1.13 0.05 -1.99 -3.44 116.97 110.49 2wdf h TYR 32 Ca 0.05 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 58.16 2wdf h TYR 32 Cb 0.68 0.00 -0.17 0.00 1.01 0.00 0.00 36.73 38.25 2wdf h TYR 32 CO 0.02 0.00 0.63 0.34 -1.05 0.00 0.00 178.16 178.10 2wdf s ASP 33 N -4.25 6.41 -0.03 3.88 2.15 -1.21 -5.00 116.67 118.63 2wdf s ASP 33 Ca 0.05 -1.60 0.07 0.00 0.43 0.00 0.00 52.55 51.50 2wdf s ASP 33 Cb 0.13 -2.39 -0.01 0.00 -0.30 0.00 0.00 42.92 40.35 2wdf s ASP 33 CO 0.74 -1.20 -0.23 -0.76 -0.17 0.00 0.00 175.17 173.54 2wdf s LEU 34 N 3.14 2.04 0.75 -1.34 1.43 -1.26 -4.90 118.68 118.54 2wdf s LEU 34 Ca 0.26 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 52.79 2wdf s LEU 34 Cb -0.12 -1.24 0.05 0.00 0.03 0.00 0.00 46.19 44.91 2wdf s LEU 34 CO -0.00 0.26 1.11 -2.16 0.23 0.00 0.00 176.35 175.79 2wdf s PRO 35 N -0.36 2.30 0.81 1.29 0.04 -1.26 -4.99 135.00 132.83 2wdf s PRO 35 Ca 0.04 1.32 -0.13 0.00 0.04 0.00 0.00 61.00 62.27 2wdf s PRO 35 Cb -0.11 -1.89 0.08 0.00 0.04 0.00 0.00 34.50 32.62 2wdf s PRO 35 CO 0.01 -1.63 1.18 -2.14 0.04 0.00 0.00 177.00 174.46 2wdf s PRO 36 N -4.55 1.67 -0.29 0.56 0.02 -1.26 -5.04 135.00 126.11 2wdf s PRO 36 Ca 0.64 1.65 -0.15 0.00 0.02 0.00 0.00 61.00 63.17 2wdf s PRO 36 Cb -0.20 -1.79 0.14 0.00 0.02 0.00 0.00 34.50 32.68 2wdf s PRO 36 CO 0.51 -2.16 0.92 -0.47 -0.33 0.00 0.00 177.00 175.46 2wdf s TYR 37 N -2.30 -0.73 0.00 6.54 5.04 -1.26 -5.17 117.35 119.47 2wdf s TYR 37 Ca 0.71 1.37 0.00 0.00 -2.44 0.00 0.00 57.07 56.70 2wdf s TYR 37 Cb -0.26 0.44 0.00 0.00 0.35 0.00 0.00 41.96 42.49 2wdf s TYR 37 CO 0.51 -0.36 0.00 0.41 -1.34 0.00 0.00 175.55 174.77 2wdf n GLY 38 N 4.36 -1.23 0.09 8.97 0.00 -1.26 -4.42 105.19 111.70 2wdf n GLY 38 Ca -0.15 -1.58 -0.04 0.00 0.00 0.00 0.00 46.02 44.26 2wdf n GLY 38 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wdf h ASP 39 N 0.00 0.00 -4.81 1.61 3.32 -0.32 -3.47 116.42 112.74 2wdf h ASP 39 Ca 0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 2wdf h ASP 39 Cb 0.00 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 39.33 2wdf h ASP 39 CO 0.00 0.76 -0.61 0.00 -1.72 0.00 0.00 179.24 177.67 2wdf s ALA 40 N -2.79 -0.10 -0.08 3.45 0.00 -0.98 -3.76 121.76 117.51 2wdf s ALA 40 Ca -0.03 -0.30 0.03 0.00 0.00 0.00 0.00 51.96 51.66 2wdf s ALA 40 Cb 0.08 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.31 2wdf s ALA 40 CO 0.82 -0.16 -0.17 0.99 0.00 0.00 0.00 175.76 177.24 2wdf s THR 41 N -1.23 1.49 -0.21 0.00 2.01 0.12 0.31 115.64 118.13 2wdf s THR 41 Ca -0.13 -0.69 -0.07 0.00 0.31 0.00 0.00 61.69 61.11 2wdf s THR 41 Cb -0.08 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 2wdf s THR 41 CO 0.00 0.43 0.06 -0.76 -0.69 0.00 0.00 174.62 173.66 2wdf s LEU 42 N 0.52 3.62 -0.41 4.42 1.43 0.10 -1.07 118.68 127.29 2wdf s LEU 42 Ca -0.16 -0.05 -0.09 0.00 -1.03 0.00 0.00 54.13 52.80 2wdf s LEU 42 Cb -0.16 -1.93 0.07 0.00 0.03 0.00 0.00 46.19 44.19 2wdf s LEU 42 CO 0.06 0.09 0.25 -0.76 0.23 0.00 0.00 176.35 176.22 2wdf s LEU 43 N 0.88 5.09 -0.06 1.79 1.43 0.55 -0.65 118.68 127.71 2wdf s LEU 43 Ca 0.03 -1.43 0.05 0.00 -1.03 0.00 0.00 54.13 51.75 2wdf s LEU 43 Cb -0.14 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 2wdf s LEU 43 CO 0.02 -0.52 -0.22 -0.47 0.23 0.00 0.00 176.35 175.40 2wdf s TYR 44 N 1.44 2.21 0.07 0.29 5.04 0.12 -0.96 117.35 125.56 2wdf s TYR 44 Ca 0.03 -0.68 -0.02 0.00 -2.44 0.00 0.00 57.07 53.96 2wdf s TYR 44 Cb -0.22 -1.46 -0.04 0.00 0.35 0.00 0.00 41.96 40.59 2wdf s TYR 44 CO 0.03 -0.22 0.01 -0.59 -1.34 0.00 0.00 175.55 173.44 2wdf s PHE 45 N -0.05 0.53 0.12 4.97 -0.12 -0.90 -0.22 117.98 122.32 2wdf s PHE 45 Ca -0.05 -1.04 -0.19 0.00 -0.05 0.00 0.00 56.93 55.60 2wdf s PHE 45 Cb -0.13 -0.36 0.05 0.00 -0.63 0.00 0.00 43.02 41.94 2wdf s PHE 45 CO 0.04 -0.42 0.46 0.45 -0.05 0.00 0.00 175.22 175.69 2wdf s SER 46 N -2.93 -0.34 -1.39 1.98 0.15 -1.10 -0.72 113.70 109.36 2wdf s SER 46 Ca 0.10 -0.15 -0.06 0.00 0.70 0.00 0.00 55.95 56.53 2wdf s SER 46 Cb 0.08 0.50 0.03 0.00 -1.71 0.00 0.00 66.02 64.92 2wdf s SER 46 CO -0.08 -0.84 0.92 0.47 1.20 0.00 0.00 173.24 174.90 2wdf n ASP 47 N -0.11 -3.42 0.08 5.45 8.00 0.58 -3.76 116.55 123.37 2wdf n ASP 47 Ca -0.17 -0.74 0.02 0.00 0.71 0.00 0.00 54.79 54.61 2wdf n ASP 47 Cb 0.63 -4.28 0.36 0.00 -0.02 0.00 0.00 41.12 37.81 2wdf n ASP 47 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2wdf h LEU 48 N -2.09 0.30 -1.90 0.64 5.85 -1.67 0.26 115.31 116.70 2wdf h LEU 48 Ca -0.59 -0.06 -0.47 0.00 0.84 0.00 0.00 57.88 57.60 2wdf h LEU 48 Cb 1.36 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 2wdf h LEU 48 CO 0.60 0.44 -0.87 1.41 -0.34 0.00 0.00 178.44 179.68 2wdf n HIS 49 N -4.27 -1.75 -1.18 1.25 8.25 0.23 -2.36 115.22 115.39 2wdf n HIS 49 Ca -0.00 0.77 -0.10 0.00 -0.26 0.00 0.00 57.72 58.14 2wdf n HIS 49 Cb 0.27 -3.98 -0.04 0.00 1.12 0.00 0.00 29.99 27.35 2wdf n HIS 49 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wdf n GLY 50 N -1.82 0.92 3.55 -1.41 0.00 -0.11 -4.18 105.19 102.14 2wdf n GLY 50 Ca -0.30 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 2wdf n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wdf s GLN 51 N -2.61 2.72 0.28 1.61 -1.52 -0.99 -4.68 119.66 114.47 2wdf s GLN 51 Ca 0.00 0.06 0.14 0.00 -1.95 0.00 0.00 55.36 53.61 2wdf s GLN 51 Cb 0.00 -4.70 0.26 0.00 -0.22 0.00 0.00 33.01 28.35 2wdf s GLN 51 CO 0.00 -2.89 1.53 0.00 -0.25 0.00 0.00 175.29 173.68 2wdf h ALA 52 N 12.74 0.76 -2.84 6.09 0.00 -1.91 -3.35 119.26 130.75 2wdf h ALA 52 Ca -0.09 -0.53 -0.62 0.00 0.00 0.00 0.00 54.91 53.67 2wdf h ALA 52 Cb 1.08 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.63 2wdf h ALA 52 CO 1.24 0.72 -0.74 -0.06 0.00 0.00 0.00 179.25 180.41 2wdf s PHE 53 N -3.23 2.51 0.29 0.00 0.40 -1.26 -0.77 117.98 115.92 2wdf s PHE 53 Ca 0.01 -0.27 -0.30 0.00 -0.60 0.00 0.00 56.93 55.77 2wdf s PHE 53 Cb 0.10 -1.19 -0.12 0.00 0.51 0.00 0.00 43.02 42.31 2wdf s PHE 53 CO 0.74 0.55 1.51 -2.30 0.70 0.00 0.00 175.22 176.42 2wdf n PRO 54 N -0.12 2.45 -3.22 0.24 -0.02 -1.26 -3.59 135.00 129.48 2wdf n PRO 54 Ca -0.10 0.87 -0.09 0.00 -2.02 0.00 0.00 63.50 62.17 2wdf n PRO 54 Cb 0.57 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 2wdf n PRO 54 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2wdf n HIS 55 N 1.81 -1.69 -4.48 6.00 1.44 0.43 -4.89 115.22 113.83 2wdf n HIS 55 Ca 0.09 -1.57 -0.34 0.00 -2.01 0.00 0.00 57.72 53.89 2wdf n HIS 55 Cb 0.35 0.59 -0.10 0.00 0.12 0.00 0.00 29.99 30.94 2wdf n HIS 55 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 2wdf s TYR 56 N -3.67 3.02 -0.27 -1.40 2.02 -1.26 0.11 117.35 115.89 2wdf s TYR 56 Ca 0.16 0.08 -0.00 0.00 -0.37 0.00 0.00 57.07 56.93 2wdf s TYR 56 Cb -0.02 -1.72 0.14 0.00 -0.40 0.00 0.00 41.96 39.96 2wdf s TYR 56 CO 0.12 0.40 0.36 0.12 -1.57 0.00 0.00 175.55 174.97 2wdf s PHE 57 N -0.89 -0.76 0.09 2.71 5.99 -1.26 -0.05 117.98 123.81 2wdf s PHE 57 Ca 0.14 0.32 -0.21 0.00 0.00 0.00 0.00 56.93 57.18 2wdf s PHE 57 Cb -0.11 -0.21 -0.07 0.00 0.00 0.00 0.00 43.02 42.63 2wdf s PHE 57 CO 0.04 -0.87 0.64 1.41 -0.00 0.00 0.00 175.22 176.43 2wdf s MET 58 N 2.48 4.33 0.79 10.12 -2.45 -1.26 -5.01 119.30 128.30 2wdf s MET 58 Ca 0.10 0.88 -0.11 0.00 -1.25 0.00 0.00 55.69 55.31 2wdf s MET 58 Cb -0.14 -3.26 0.07 0.00 1.25 0.00 0.00 34.83 32.75 2wdf s MET 58 CO -0.26 0.58 1.11 -1.21 1.05 0.00 0.00 175.02 176.30 2wdf s GLU 59 N -1.00 2.01 0.51 4.11 0.41 -1.26 -4.71 118.70 118.77 2wdf s GLU 59 Ca 0.32 1.32 -0.22 0.00 -0.41 0.00 0.00 54.97 55.98 2wdf s GLU 59 Cb -0.21 -1.86 -0.06 0.00 -1.78 0.00 0.00 34.13 30.23 2wdf s GLU 59 CO 0.21 -1.85 1.22 -1.25 -0.49 0.00 0.00 175.26 173.10 2wdf s PRO 60 N -4.70 3.43 0.28 0.39 0.04 -1.26 -4.34 135.00 128.83 2wdf s PRO 60 Ca 0.64 1.88 0.12 0.00 0.04 0.00 0.00 61.00 63.68 2wdf s PRO 60 Cb -0.19 -2.25 0.35 0.00 0.04 0.00 0.00 34.50 32.45 2wdf s PRO 60 CO 0.54 -0.85 1.60 -1.35 0.04 0.00 0.00 177.00 176.98 2wdf h PRO 61 N 1.62 0.00 -4.63 0.56 0.11 -1.89 -3.42 132.00 124.35 2wdf h PRO 61 Ca -0.50 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.25 2wdf h PRO 61 Cb 1.27 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 32.11 2wdf h PRO 61 CO 0.58 0.60 -0.77 -0.80 -0.21 0.00 0.00 178.00 177.41 2wdf s ASN 62 N -6.73 0.95 -0.43 -2.05 0.01 -1.26 -4.61 114.94 100.82 2wdf s ASN 62 Ca -0.01 -0.24 0.05 0.00 -0.71 0.00 0.00 52.86 51.96 2wdf s ASN 62 Cb 0.12 -0.08 0.19 0.00 0.41 0.00 0.00 41.25 41.90 2wdf s ASN 62 CO 0.75 0.04 0.41 0.18 -1.51 0.00 0.00 177.10 176.97 2wdf n LEU 63 N 2.56 0.00 -4.71 0.60 4.77 -1.26 -2.11 117.00 116.84 2wdf n LEU 63 Ca -0.15 -4.54 -0.42 0.00 -0.03 0.00 0.00 56.01 50.87 2wdf n LEU 63 Cb 0.57 0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 42.10 2wdf n LEU 63 CO 0.24 1.92 1.05 -0.63 -1.33 0.00 0.00 177.39 178.64 2wdf s ILE 64 N -0.45 3.35 0.14 -0.08 1.01 -1.26 -4.70 121.20 119.22 2wdf s ILE 64 Ca 0.33 0.97 0.11 0.00 0.00 0.00 0.00 60.65 62.06 2wdf s ILE 64 Cb 0.08 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 2wdf s ILE 64 CO -0.17 0.07 -0.25 0.00 0.00 0.00 0.00 174.94 174.59 2wdf s ALA 65 N 1.13 2.46 0.58 9.38 0.00 -1.26 -4.95 121.76 129.09 2wdf s ALA 65 Ca 0.64 -1.50 -0.18 0.00 0.00 0.00 0.00 51.96 50.92 2wdf s ALA 65 Cb -0.36 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 2wdf s ALA 65 CO 0.30 0.52 1.13 -1.25 0.00 0.00 0.00 175.76 176.45 2wdf s PRO 66 N -2.23 3.18 0.27 0.00 0.04 -1.26 -4.74 135.00 130.26 2wdf s PRO 66 Ca 0.16 1.55 -0.08 0.00 0.04 0.00 0.00 61.00 62.67 2wdf s PRO 66 Cb -0.10 -1.99 0.44 0.00 0.04 0.00 0.00 34.50 32.89 2wdf s PRO 66 CO 0.07 -0.98 1.52 1.63 0.04 0.00 0.00 177.00 179.29 2wdf n LYS 67 N -1.65 -0.10 0.21 4.56 5.02 -1.26 -0.89 118.16 124.06 2wdf n LYS 67 Ca 0.11 1.52 0.18 0.00 -2.02 0.00 0.00 58.31 58.11 2wdf n LYS 67 Cb 0.51 -2.27 0.83 0.00 -0.02 0.00 0.00 35.03 34.08 2wdf n LYS 67 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 2wdf h PRO 68 N 0.00 0.00 -0.02 1.97 0.11 -1.94 -2.08 132.00 130.05 2wdf h PRO 68 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 2wdf h PRO 68 Cb 0.70 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.81 2wdf h PRO 68 CO -1.00 0.00 -0.20 1.28 -0.21 0.00 0.00 178.00 177.86 2wdf n LEU 69 N -3.51 2.11 -4.74 2.35 4.77 -0.07 -5.02 117.00 112.89 2wdf n LEU 69 Ca 0.02 -0.87 -0.40 0.00 -0.03 0.00 0.00 56.01 54.74 2wdf n LEU 69 Cb 0.41 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.52 2wdf n LEU 69 CO 0.24 0.38 1.00 0.23 -1.33 0.00 0.00 177.39 177.91 2wdf n MET 70 N 0.43 1.98 -0.97 3.23 2.81 -0.78 -3.20 117.12 120.61 2wdf n MET 70 Ca 0.09 0.71 0.00 0.00 -1.81 0.00 0.00 57.70 56.69 2wdf n MET 70 Cb 0.42 -2.57 0.00 0.00 -0.71 0.00 0.00 33.22 30.36 2wdf n MET 70 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wdf n GLY 71 N 0.69 0.78 3.91 3.03 0.00 -1.26 -5.04 105.19 107.30 2wdf n GLY 71 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 2wdf n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdf s ARG 72 N -0.03 3.60 0.36 1.61 0.52 -1.19 -4.97 118.95 118.85 2wdf s ARG 72 Ca 0.00 -0.04 -0.28 0.00 -0.52 0.00 0.00 55.73 54.88 2wdf s ARG 72 Cb 0.00 -2.64 -0.12 0.00 0.52 0.00 0.00 34.95 32.71 2wdf s ARG 72 CO 0.00 0.19 1.44 -2.30 0.02 0.00 0.00 175.30 174.66 2wdf n PRO 73 N -1.11 2.52 0.00 3.54 -0.02 -1.26 -0.96 135.00 137.72 2wdf n PRO 73 Ca -0.02 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 2wdf n PRO 73 Cb 0.54 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2wdf n PRO 73 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdf n GLY 74 N 0.75 0.56 0.28 -1.23 0.00 -1.26 -4.83 105.19 99.46 2wdf n GLY 74 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.09 2wdf n GLY 74 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wdf n TYR 75 N -1.89 0.00 -4.41 1.61 4.01 -0.13 -4.96 117.16 111.39 2wdf n TYR 75 Ca 0.00 -0.40 -0.34 0.00 -0.16 0.00 0.00 57.90 57.00 2wdf n TYR 75 Cb 0.00 -0.08 -0.12 0.00 -0.31 0.00 0.00 39.34 38.83 2wdf n TYR 75 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2wdf s LEU 76 N -1.14 3.27 0.31 7.72 1.43 -1.24 -4.58 118.68 124.45 2wdf s LEU 76 Ca 0.12 -0.11 0.06 0.00 -1.03 0.00 0.00 54.13 53.17 2wdf s LEU 76 Cb 0.11 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 2wdf s LEU 76 CO 0.01 0.19 0.24 0.42 0.23 0.00 0.00 176.35 177.44 2wdf s THR 77 N 0.25 0.04 0.00 5.49 -4.23 -1.26 -4.72 115.64 111.21 2wdf s THR 77 Ca -0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 2wdf s THR 77 Cb -0.14 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.21 2wdf s THR 77 CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 2wdf n GLY 78 N -0.57 2.65 0.27 3.99 0.00 -1.26 -1.80 105.19 108.46 2wdf n GLY 78 Ca 0.06 -0.11 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 2wdf n GLY 78 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2wdf h GLU 79 N 0.00 0.80 -0.89 1.61 3.07 -1.99 -3.13 114.58 114.04 2wdf h GLU 79 Ca 0.00 -0.29 0.08 0.00 -0.50 0.00 0.00 59.36 58.65 2wdf h GLU 79 Cb 0.00 -0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 27.79 2wdf h GLU 79 CO 0.00 0.90 0.55 0.00 -1.40 0.00 0.00 179.01 179.06 2wdf h ALA 80 N 1.12 1.26 -0.61 3.43 0.00 -1.84 -1.96 119.26 120.64 2wdf h ALA 80 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2wdf h ALA 80 Cb 0.65 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2wdf h ALA 80 CO 0.05 0.25 0.14 0.97 0.00 0.00 0.00 179.25 180.65 2wdf h ILE 81 N 0.96 1.25 -0.33 0.00 2.10 -1.30 -1.39 117.51 118.79 2wdf h ILE 81 Ca 0.41 -0.91 -0.03 0.00 1.08 0.00 0.00 64.86 65.41 2wdf h ILE 81 Cb 0.27 0.63 -0.01 0.00 -1.09 0.00 0.00 36.82 36.61 2wdf h ILE 81 CO -0.21 0.34 0.09 -0.07 -1.08 0.00 0.00 178.15 177.23 2wdf h LEU 82 N 0.92 0.50 -0.36 2.19 3.38 -1.41 -2.67 115.31 117.85 2wdf h LEU 82 Ca 0.20 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2wdf h LEU 82 Cb 0.35 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2wdf h LEU 82 CO 0.00 0.59 0.13 0.03 0.09 0.00 0.00 178.44 179.28 2wdf h ARG 83 N 0.38 0.55 -0.93 1.13 3.08 -1.25 0.17 114.38 117.52 2wdf h ARG 83 Ca 0.11 -0.11 0.13 0.00 0.07 0.00 0.00 59.98 60.17 2wdf h ARG 83 Cb 0.28 -0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.16 2wdf h ARG 83 CO -0.00 0.55 0.55 -0.92 -1.07 0.00 0.00 179.97 179.09 2wdf h TYR 84 N 0.44 1.00 -0.02 3.04 3.20 -1.14 -1.84 116.97 121.64 2wdf h TYR 84 Ca 0.12 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.02 2wdf h TYR 84 Cb 0.22 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.19 2wdf h TYR 84 CO 0.00 0.35 -0.11 0.66 -1.64 0.00 0.00 178.16 177.43 2wdf n TYR 85 N -4.71 0.00 -2.66 -3.82 4.01 -1.02 -4.95 117.16 104.01 2wdf n TYR 85 Ca 0.18 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.80 2wdf n TYR 85 Cb 0.37 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.41 2wdf n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wdf n GLY 86 N 1.32 0.08 3.68 2.72 0.00 -0.27 -4.97 105.19 107.75 2wdf n GLY 86 Ca 0.14 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 2wdf n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdf s VAL 87 N -2.87 5.24 0.36 1.61 1.01 0.45 -5.02 120.40 121.19 2wdf s VAL 87 Ca 0.16 0.61 -0.26 0.00 0.00 0.00 0.00 61.98 62.49 2wdf s VAL 87 Cb -0.07 -3.68 -0.09 0.00 0.00 0.00 0.00 36.38 32.54 2wdf s VAL 87 CO 0.20 0.30 1.09 -1.61 0.00 0.00 0.00 175.10 175.08 2wdf s GLU 88 N 1.05 4.30 0.45 2.72 2.02 -1.26 -4.57 118.70 123.41 2wdf s GLU 88 Ca 0.17 1.68 -0.24 0.00 0.02 0.00 0.00 54.97 56.60 2wdf s GLU 88 Cb -0.14 -2.78 -0.07 0.00 0.10 0.00 0.00 34.13 31.23 2wdf s GLU 88 CO 0.07 -0.06 1.20 0.50 0.02 0.00 0.00 175.26 176.99 2wdf s ARG 89 N -2.11 3.77 0.00 1.61 3.52 -1.26 -3.26 118.95 121.22 2wdf s ARG 89 Ca 0.53 1.88 0.00 0.00 -0.13 0.00 0.00 55.73 58.01 2wdf s ARG 89 Cb -0.27 -2.48 0.00 0.00 -1.56 0.00 0.00 34.95 30.64 2wdf s ARG 89 CO 0.34 -0.57 0.00 0.41 -0.81 0.00 0.00 175.30 174.67 2wdf n GLY 90 N 0.54 1.03 3.93 8.12 0.00 -1.26 -5.05 105.19 112.50 2wdf n GLY 90 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 2wdf n GLY 90 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wdf s THR 91 N -3.37 3.08 0.33 2.61 -4.23 -1.20 -4.92 115.64 107.93 2wdf s THR 91 Ca 0.00 -0.15 0.01 0.00 -1.18 0.00 0.00 61.69 60.37 2wdf s THR 91 Cb 0.00 -3.26 0.23 0.00 1.34 0.00 0.00 72.50 70.81 2wdf s THR 91 CO 0.00 -0.26 1.95 -0.65 -0.54 0.00 0.00 174.62 175.12 2wdf h PRO 92 N -0.31 0.82 -0.48 3.99 0.11 -1.97 -1.31 132.00 132.85 2wdf h PRO 92 Ca -0.45 -0.09 -0.08 0.00 0.11 0.00 0.00 66.00 65.49 2wdf h PRO 92 Cb 1.28 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 2wdf h PRO 92 CO 0.60 0.61 -0.03 1.25 -0.21 0.00 0.00 178.00 180.22 2wdf h LEU 93 N 0.82 0.86 -1.12 2.35 5.85 -1.93 -2.51 115.31 119.63 2wdf h LEU 93 Ca 0.21 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2wdf h LEU 93 Cb 0.04 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 2wdf h LEU 93 CO -0.03 0.98 0.45 0.00 -0.34 0.00 0.00 178.44 179.50 2wdf h ALA 94 N 0.91 1.34 -0.64 1.25 0.00 -1.63 0.11 119.26 120.61 2wdf h ALA 94 Ca 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2wdf h ALA 94 Cb 0.55 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2wdf h ALA 94 CO 0.03 0.56 0.35 -0.92 0.00 0.00 0.00 179.25 179.27 2wdf h TYR 95 N 1.07 0.85 0.17 0.00 3.20 -0.96 -2.33 116.97 118.97 2wdf h TYR 95 Ca 0.28 -0.01 -0.30 0.00 3.14 0.00 0.00 58.73 61.84 2wdf h TYR 95 Cb -0.02 -0.28 0.02 0.00 1.54 0.00 0.00 36.73 37.99 2wdf h TYR 95 CO 0.01 0.60 -1.31 -0.07 -1.64 0.00 0.00 178.16 175.74 2wdf h LEU 96 N 0.88 0.68 0.00 2.82 4.07 -0.91 -3.39 115.31 119.46 2wdf h LEU 96 Ca 0.23 -0.69 -0.10 0.00 0.08 0.00 0.00 57.88 57.39 2wdf h LEU 96 Cb 0.02 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.53 2wdf h LEU 96 CO -0.04 1.53 -0.51 0.25 -1.08 0.00 0.00 178.44 178.59 2wdf h LEU 97 N 0.15 0.00 -7.75 1.67 5.85 -0.54 -3.42 115.31 111.27 2wdf h LEU 97 Ca -0.19 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.44 2wdf h LEU 97 Cb 2.01 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 42.88 2wdf h LEU 97 CO 0.24 0.46 -0.37 -0.55 -0.34 0.00 0.00 178.44 177.88 2wdf s SER 98 N -6.40 0.06 0.28 1.25 0.15 -0.90 -4.82 113.70 103.32 2wdf s SER 98 Ca 0.04 -0.48 0.26 0.00 0.70 0.00 0.00 55.95 56.46 2wdf s SER 98 Cb 0.07 0.32 0.91 0.00 -1.71 0.00 0.00 66.02 65.61 2wdf s SER 98 CO 0.74 -0.65 1.76 0.10 1.20 0.00 0.00 173.24 176.39 2wdf h TYR 99 N 3.10 0.00 -2.52 3.44 -0.00 -1.82 -3.43 116.97 115.74 2wdf h TYR 99 Ca -0.33 0.00 -0.56 0.00 0.00 0.00 0.00 58.73 57.84 2wdf h TYR 99 Cb 1.20 0.00 0.06 0.00 0.00 0.00 0.00 36.73 37.99 2wdf h TYR 99 CO 0.46 0.00 0.87 0.28 -0.00 0.00 0.00 178.16 179.77 2wdf n VAL 100 N -2.39 0.15 -1.55 -0.90 0.31 -1.26 -1.50 118.33 111.18 2wdf n VAL 100 Ca 0.03 -0.04 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 2wdf n VAL 100 Cb 0.34 -1.74 -0.08 0.00 -0.91 0.00 0.00 33.84 31.45 2wdf n VAL 100 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2wdf n ASP 101 N 3.44 -5.12 -0.05 4.52 8.00 -1.26 -4.87 116.55 121.21 2wdf n ASP 101 Ca 0.16 0.47 -0.13 0.00 0.71 0.00 0.00 54.79 56.00 2wdf n ASP 101 Cb 0.32 -4.53 -0.08 0.00 -0.02 0.00 0.00 41.12 36.81 2wdf n ASP 101 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2wdf h PHE 102 N 0.00 -1.45 -0.42 1.24 3.57 -1.54 -0.44 116.94 117.90 2wdf h PHE 102 Ca -0.39 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.22 2wdf h PHE 102 Cb 1.26 0.66 -0.04 0.00 2.79 0.00 0.00 35.95 40.62 2wdf h PHE 102 CO 0.55 -0.50 0.16 0.28 -2.23 0.00 0.00 178.31 176.56 2wdf h VAL 103 N -0.48 0.89 -0.38 1.41 2.07 -1.86 0.17 116.25 118.07 2wdf h VAL 103 Ca 0.07 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.49 2wdf h VAL 103 Cb 0.64 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2wdf h VAL 103 CO -0.48 0.06 0.22 -0.33 0.02 0.00 0.00 177.57 177.06 2wdf h GLU 104 N 0.33 0.44 -0.09 1.57 5.08 -1.85 -2.36 114.58 117.70 2wdf h GLU 104 Ca 0.19 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.40 2wdf h GLU 104 Cb 0.16 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2wdf h GLU 104 CO -0.18 0.29 -0.50 -0.07 -1.00 0.00 0.00 179.01 177.55 2wdf h LEU 105 N 0.45 0.26 -1.08 1.33 3.38 -0.61 -2.20 115.31 116.84 2wdf h LEU 105 Ca 0.15 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2wdf h LEU 105 Cb 0.00 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 2wdf h LEU 105 CO -0.07 0.72 0.45 0.00 0.09 0.00 0.00 178.44 179.63 2wdf h ALA 106 N 1.29 1.30 -0.01 1.53 0.00 -0.40 0.37 119.26 123.34 2wdf h ALA 106 Ca 0.01 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 2wdf h ALA 106 Cb 0.95 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2wdf h ALA 106 CO 0.08 0.58 -0.72 0.00 0.00 0.00 0.00 179.25 179.18 2wdf h ARG 107 N 1.10 0.07 0.11 0.00 3.08 -1.20 -1.30 114.38 116.23 2wdf h ARG 107 Ca 0.28 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 2wdf h ARG 107 Cb 0.00 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2wdf h ARG 107 CO -0.05 0.76 -0.05 1.15 -1.07 0.00 0.00 179.97 180.71 2wdf h THR 108 N 0.04 1.09 0.00 2.04 2.02 -0.86 -3.36 112.91 113.88 2wdf h THR 108 Ca -0.01 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.04 2wdf h THR 108 Cb 1.28 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.45 2wdf h THR 108 CO 0.10 0.26 -1.11 0.49 0.37 0.00 0.00 175.52 175.62 2wdf n PHE 109 N -4.91 0.09 -0.73 3.16 3.72 0.07 -5.09 117.46 113.77 2wdf n PHE 109 Ca -0.08 0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2wdf n PHE 109 Cb 0.27 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 2wdf n PHE 109 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wdf n GLY 110 N 1.42 -2.59 3.76 1.37 0.00 -0.49 -4.66 105.19 104.00 2wdf n GLY 110 Ca 0.02 -1.65 -0.31 0.00 0.00 0.00 0.00 46.02 44.08 2wdf n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wdf s PRO 111 N -0.76 2.12 0.42 1.61 0.04 -1.26 -4.80 135.00 132.36 2wdf s PRO 111 Ca 0.00 1.10 0.08 0.00 0.04 0.00 0.00 61.00 62.22 2wdf s PRO 111 Cb 0.00 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.64 2wdf s PRO 111 CO 0.00 -1.72 0.41 0.96 0.04 0.00 0.00 177.00 176.69 2wdf s ILE 112 N -2.92 2.67 0.00 0.56 -5.25 0.12 -3.37 121.20 113.02 2wdf s ILE 112 Ca 0.61 -1.30 0.00 0.00 -0.99 0.00 0.00 60.65 58.98 2wdf s ILE 112 Cb -0.17 -2.97 0.00 0.00 2.95 0.00 0.00 42.46 42.27 2wdf s ILE 112 CO 0.56 0.00 0.00 0.61 -1.79 0.00 0.00 174.94 174.32 2wdf n GLY 113 N -1.60 0.69 0.00 6.27 0.00 -0.42 -0.43 105.19 109.70 2wdf n GLY 113 Ca 0.04 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2wdf n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdf n GLY 114 N 0.00 1.68 0.28 -0.02 0.00 -1.24 -4.16 105.19 101.73 2wdf n GLY 114 Ca 0.00 -1.43 0.02 0.00 0.00 0.00 0.00 46.02 44.60 2wdf n GLY 114 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2wdf h MET 115 N 0.00 0.51 0.57 1.61 2.86 -1.08 -1.70 114.93 117.72 2wdf h MET 115 Ca 0.00 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 2wdf h MET 115 Cb 0.00 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 31.57 2wdf h MET 115 CO 0.00 0.47 -0.28 0.78 1.06 0.00 0.00 176.91 178.94 2wdf h GLY 116 N 0.72 -0.80 1.17 8.32 0.00 -1.90 -1.52 103.07 109.06 2wdf h GLY 116 Ca 0.12 0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.68 2wdf h GLY 116 CO -0.01 -0.29 0.11 0.00 0.00 0.00 0.00 176.54 176.35 2wdf h ALA 117 N -0.39 1.01 -0.82 3.60 0.00 -1.78 -1.47 119.26 119.41 2wdf h ALA 117 Ca -0.08 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 2wdf h ALA 117 Cb 0.61 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2wdf h ALA 117 CO 0.13 0.63 0.36 1.25 0.00 0.00 0.00 179.25 181.63 2wdf h LEU 118 N 0.96 1.11 -0.38 0.00 5.85 -1.30 -0.76 115.31 120.78 2wdf h LEU 118 Ca 0.20 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 2wdf h LEU 118 Cb 0.40 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2wdf h LEU 118 CO 0.01 0.95 0.13 0.74 -0.34 0.00 0.00 178.44 179.94 2wdf h THR 119 N 1.18 1.20 -0.43 1.05 2.02 -0.96 0.04 112.91 117.02 2wdf h THR 119 Ca 0.28 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.81 2wdf h THR 119 Cb 0.17 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 2wdf h THR 119 CO -0.03 0.23 0.27 0.00 0.37 0.00 0.00 175.52 176.36 2wdf h ALA 120 N 0.98 0.55 -0.20 6.16 0.00 -0.95 0.27 119.26 126.07 2wdf h ALA 120 Ca 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2wdf h ALA 120 Cb 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2wdf h ALA 120 CO -0.01 0.02 0.06 1.25 0.00 0.00 0.00 179.25 180.58 2wdf h LEU 121 N 0.58 0.30 -0.61 0.00 5.85 -0.98 -0.76 115.31 119.69 2wdf h LEU 121 Ca 0.16 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.69 2wdf h LEU 121 Cb -0.03 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 2wdf h LEU 121 CO -0.03 0.42 0.38 0.40 -0.34 0.00 0.00 178.44 179.28 2wdf h ILE 122 N 0.15 1.10 -0.67 4.05 2.04 -0.76 -1.20 117.51 122.22 2wdf h ILE 122 Ca 0.06 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 2wdf h ILE 122 Cb 0.24 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 2wdf h ILE 122 CO -0.00 0.14 0.24 0.03 0.00 0.00 0.00 178.15 178.56 2wdf h ARG 123 N 0.76 1.01 0.20 2.37 3.08 -0.75 -1.27 114.38 119.78 2wdf h ARG 123 Ca 0.24 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 2wdf h ARG 123 Cb -0.02 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 2wdf h ARG 123 CO -0.08 0.86 -0.11 0.22 -1.07 0.00 0.00 179.97 179.79 2wdf h ASP 124 N 0.95 -0.28 -0.49 7.04 3.58 -0.77 -1.94 116.42 124.52 2wdf h ASP 124 Ca 0.22 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 2wdf h ASP 124 Cb 0.25 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 2wdf h ASP 124 CO -0.01 -0.19 0.25 1.56 -2.88 0.00 0.00 179.24 177.97 2wdf h GLN 125 N -0.29 0.69 -0.42 0.28 1.08 -1.08 -2.04 115.11 113.33 2wdf h GLN 125 Ca -0.02 -0.09 -0.06 0.00 -1.45 0.00 0.00 58.65 57.03 2wdf h GLN 125 Cb 0.24 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 2wdf h GLN 125 CO 0.03 0.57 0.02 -0.22 -0.95 0.00 0.00 178.83 178.27 2wdf h LYS 126 N 0.64 0.67 -0.37 1.46 3.64 -1.19 -2.17 116.57 119.25 2wdf h LYS 126 Ca 0.17 -0.16 -0.13 0.00 -1.27 0.00 0.00 60.65 59.27 2wdf h LYS 126 Cb 0.09 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2wdf h LYS 126 CO -0.02 0.67 -0.28 0.00 -2.27 0.00 0.00 179.45 177.55 2wdf h ALA 127 N 1.39 0.80 -0.16 5.00 0.00 -1.07 -1.24 119.26 123.98 2wdf h ALA 127 Ca 0.13 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2wdf h ALA 127 Cb 0.37 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2wdf h ALA 127 CO 0.01 0.65 0.05 0.00 0.00 0.00 0.00 179.25 179.96 2wdf h ARG 128 N 0.67 0.26 -0.12 0.00 3.08 -1.04 -0.96 114.38 116.27 2wdf h ARG 128 Ca 0.08 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 2wdf h ARG 128 Cb 0.81 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 2wdf h ARG 128 CO 0.07 0.38 0.07 0.28 -1.07 0.00 0.00 179.97 179.70 2wdf h VAL 129 N 0.08 1.06 -0.65 2.04 2.07 -1.30 -1.11 116.25 118.45 2wdf h VAL 129 Ca 0.05 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 2wdf h VAL 129 Cb 0.23 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2wdf h VAL 129 CO -0.00 0.06 0.21 -0.33 0.02 0.00 0.00 177.57 177.53 2wdf h GLU 130 N 0.13 1.01 0.00 1.57 5.08 -1.20 0.43 114.58 121.60 2wdf h GLU 130 Ca 0.04 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 2wdf h GLU 130 Cb 0.03 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 2wdf h GLU 130 CO -0.01 0.87 -0.06 0.00 -1.00 0.00 0.00 179.01 178.81 2wdf h ALA 131 N 1.09 1.29 0.00 3.43 0.00 -1.00 0.45 119.26 124.52 2wdf h ALA 131 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2wdf h ALA 131 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2wdf h ALA 131 CO -0.01 0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.71 2wdf n GLU 132 N -3.59 0.15 -0.24 0.00 1.02 -0.43 -4.86 120.64 112.69 2wdf n GLU 132 Ca -0.02 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2wdf n GLU 132 Cb 0.18 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 2wdf n GLU 132 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wdf n GLY 133 N 1.23 0.81 3.90 0.62 0.00 0.16 -5.07 105.19 106.83 2wdf n GLY 133 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 2wdf n GLY 133 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wdf s GLY 134 N -1.78 1.74 -0.18 -0.02 0.00 0.14 -4.95 107.32 102.27 2wdf s GLY 134 Ca 0.00 -1.10 0.01 0.00 0.00 0.00 0.00 44.72 43.63 2wdf s GLY 134 CO 0.00 -0.36 -0.14 1.25 0.00 0.00 0.00 173.10 173.86 2wdf s LYS 135 N -5.80 2.32 -0.12 2.90 2.47 -1.25 -4.21 119.74 116.05 2wdf s LYS 135 Ca 0.72 -0.74 -0.00 0.00 -1.56 0.00 0.00 55.97 54.39 2wdf s LYS 135 Cb -0.05 -2.32 -0.02 0.00 -1.46 0.00 0.00 37.83 33.97 2wdf s LYS 135 CO 0.53 -0.31 -0.12 0.00 0.16 0.00 0.00 175.35 175.61 2wdf s ALA 136 N 1.41 2.69 -0.09 3.13 0.00 -1.26 -0.70 121.76 126.94 2wdf s ALA 136 Ca 0.02 -0.88 -0.00 0.00 0.00 0.00 0.00 51.96 51.09 2wdf s ALA 136 Cb -0.14 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.70 2wdf s ALA 136 CO -0.10 0.28 -0.05 -0.51 0.00 0.00 0.00 175.76 175.38 2wdf s LEU 137 N 0.22 3.23 -0.37 0.00 1.43 -0.24 -4.99 118.68 117.96 2wdf s LEU 137 Ca -0.07 -0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 52.88 2wdf s LEU 137 Cb -0.15 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.36 2wdf s LEU 137 CO 0.05 0.32 0.23 -0.69 0.23 0.00 0.00 176.35 176.49 2wdf s VAL 138 N -0.57 4.85 -0.15 -1.59 1.01 -1.26 -0.33 120.40 122.36 2wdf s VAL 138 Ca 0.09 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 2wdf s VAL 138 Cb -0.12 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 2wdf s VAL 138 CO 0.02 -0.19 -0.13 -0.76 0.00 0.00 0.00 175.10 174.04 2wdf s LEU 139 N 1.62 2.67 -0.26 3.92 1.43 -0.13 -0.62 118.68 127.31 2wdf s LEU 139 Ca 0.04 -0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 52.72 2wdf s LEU 139 Cb -0.19 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.42 2wdf s LEU 139 CO 0.08 0.12 0.01 -0.62 0.23 0.00 0.00 176.35 176.17 2wdf s ASP 140 N 0.61 4.69 0.00 2.29 -1.08 -0.33 -2.12 116.67 120.73 2wdf s ASP 140 Ca -0.07 -0.59 0.16 0.00 -0.52 0.00 0.00 52.55 51.53 2wdf s ASP 140 Cb -0.16 -1.79 0.85 0.00 -1.46 0.00 0.00 42.92 40.36 2wdf s ASP 140 CO 0.03 -0.11 1.46 0.61 0.52 0.00 0.00 175.17 177.68 2wdf n GLY 141 N 4.81 -0.77 0.00 2.66 0.00 0.10 -2.43 105.19 109.56 2wdf n GLY 141 Ca -0.16 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2wdf n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdf n GLY 142 N 0.08 0.55 3.65 -0.02 0.00 -1.25 -4.49 105.19 103.70 2wdf n GLY 142 Ca 0.09 -2.16 -0.24 0.00 0.00 0.00 0.00 46.02 43.71 2wdf n GLY 142 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wdf n ASP 143 N 0.00 -4.58 -0.13 1.61 9.92 -1.26 -0.31 116.55 121.79 2wdf n ASP 143 Ca 0.00 -0.64 -0.28 0.00 -0.53 0.00 0.00 54.79 53.34 2wdf n ASP 143 Cb 0.00 -4.69 -0.10 0.00 -0.64 0.00 0.00 41.12 35.69 2wdf n ASP 143 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2wdf n THR 144 N -4.68 1.53 0.39 -3.53 -1.04 -1.26 0.73 114.28 106.43 2wdf n THR 144 Ca -0.08 -0.36 0.13 0.00 -2.04 0.00 0.00 64.05 61.70 2wdf n THR 144 Cb 0.59 -1.86 0.51 0.00 -1.82 0.00 0.00 70.33 67.75 2wdf n THR 144 CO 0.00 0.00 0.00 -0.50 -0.64 0.00 0.00 175.07 173.93 2wdf h TRP 145 N -0.91 0.00 -0.72 -1.42 6.55 -1.91 -0.27 115.95 117.27 2wdf h TRP 145 Ca -0.65 0.00 -0.65 0.00 0.95 0.00 0.00 58.89 58.54 2wdf h TRP 145 Cb 1.61 0.00 -0.12 0.00 -0.86 0.00 0.00 29.16 29.79 2wdf h TRP 145 CO -0.05 0.00 -0.51 0.95 -1.05 0.00 0.00 178.44 177.78 2wdf s THR 146 N -3.36 1.46 -0.79 1.49 -4.23 -1.26 -4.32 115.64 104.63 2wdf s THR 146 Ca 0.04 -1.92 -0.02 0.00 -1.18 0.00 0.00 61.69 58.61 2wdf s THR 146 Cb 0.09 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.55 2wdf s THR 146 CO 0.44 0.00 0.68 0.59 -0.54 0.00 0.00 174.62 175.78 2wdf n ASN 147 N -1.26 -3.16 -3.72 3.99 4.13 -1.25 -1.92 115.26 112.07 2wdf n ASN 147 Ca -0.13 -0.37 -0.09 0.00 1.68 0.00 0.00 54.58 55.68 2wdf n ASN 147 Cb 0.66 -3.38 -0.02 0.00 -1.54 0.00 0.00 39.78 35.50 2wdf n ASN 147 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2wdf s SER 148 N -3.58 -0.35 0.08 6.41 1.04 -1.25 -4.31 113.70 111.72 2wdf s SER 148 Ca 0.15 -0.42 -0.32 0.00 0.48 0.00 0.00 55.95 55.84 2wdf s SER 148 Cb -0.07 0.69 -0.17 0.00 0.10 0.00 0.00 66.02 66.57 2wdf s SER 148 CO 0.46 -1.23 1.62 1.23 0.98 0.00 0.00 173.24 176.30 2wdf h GLY 149 N 2.00 -0.93 0.15 7.32 0.00 -1.84 -1.18 103.07 108.59 2wdf h GLY 149 Ca -0.24 0.38 0.19 0.00 0.00 0.00 0.00 47.33 47.67 2wdf h GLY 149 CO 0.28 -0.33 0.61 -2.00 0.00 0.00 0.00 176.54 175.10 2wdf h LEU 150 N -0.86 0.72 0.18 3.11 5.85 -1.97 0.14 115.31 122.49 2wdf h LEU 150 Ca -0.07 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 2wdf h LEU 150 Cb 0.70 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2wdf h LEU 150 CO 0.07 0.26 -0.09 -1.28 -0.34 0.00 0.00 178.44 177.06 2wdf h SER 151 N 0.71 -0.21 -0.81 1.25 0.87 -1.78 -2.98 113.55 110.59 2wdf h SER 151 Ca 0.56 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 2wdf h SER 151 Cb 0.95 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.93 2wdf h SER 151 CO -0.35 0.17 0.48 -0.07 -0.53 0.00 0.00 176.83 176.53 2wdf h LEU 152 N -0.62 0.99 -1.41 2.23 3.38 -0.57 0.48 115.31 119.79 2wdf h LEU 152 Ca -0.03 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2wdf h LEU 152 Cb 0.46 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2wdf h LEU 152 CO 0.04 0.77 0.00 -0.07 0.09 0.00 0.00 178.44 179.28 2wdf h LEU 153 N 1.13 0.00 -2.31 1.67 3.38 -1.00 -3.08 115.31 115.10 2wdf h LEU 153 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2wdf h LEU 153 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2wdf h LEU 153 CO -0.05 0.00 -0.14 0.35 0.09 0.00 0.00 178.44 178.69 2wdf n THR 154 N -2.83 0.78 -4.08 0.22 -2.24 -1.04 -4.99 114.28 100.11 2wdf n THR 154 Ca 0.01 -0.90 -0.30 0.00 -2.27 0.00 0.00 64.05 60.59 2wdf n THR 154 Cb 0.25 0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 68.84 2wdf n THR 154 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2wdf n ARG 155 N -0.54 -3.32 0.00 -0.78 1.74 0.29 -1.64 116.66 112.41 2wdf n ARG 155 Ca 0.05 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 2wdf n ARG 155 Cb 0.54 -4.80 0.00 0.00 -1.02 0.00 0.00 32.46 27.18 2wdf n ARG 155 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdf n GLY 156 N -1.74 2.96 0.36 -0.13 0.00 0.14 -4.92 105.19 101.86 2wdf n GLY 156 Ca -0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.92 2wdf n GLY 156 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2wdf h GLU 157 N 1.66 1.06 0.00 1.61 4.81 -1.57 -1.85 114.58 120.30 2wdf h GLU 157 Ca 0.00 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 2wdf h GLU 157 Cb 0.00 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.14 2wdf h GLU 157 CO 0.00 0.70 -0.13 0.00 -0.73 0.00 0.00 179.01 178.86 2wdf h ALA 158 N 1.46 1.23 -0.03 2.92 0.00 -1.83 -0.99 119.26 122.03 2wdf h ALA 158 Ca 0.43 -0.12 -0.23 0.00 0.00 0.00 0.00 54.91 55.00 2wdf h ALA 158 Cb 0.23 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.01 2wdf h ALA 158 CO -0.19 0.16 -0.87 0.28 0.00 0.00 0.00 179.25 178.63 2wdf h VAL 159 N 0.00 1.32 -0.59 0.00 2.07 -1.66 -2.06 116.25 115.32 2wdf h VAL 159 Ca -0.00 -2.14 -0.02 0.00 0.82 0.00 0.00 66.70 65.35 2wdf h VAL 159 Cb 0.38 2.37 -0.03 0.00 -1.52 0.00 0.00 31.29 32.50 2wdf h VAL 159 CO 0.02 0.65 0.28 0.58 0.02 0.00 0.00 177.57 179.12 2wdf h VAL 160 N 0.27 1.21 -0.59 2.57 2.07 -1.11 -1.10 116.25 119.56 2wdf h VAL 160 Ca -0.10 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 66.84 2wdf h VAL 160 Cb 1.53 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 2wdf h VAL 160 CO 0.17 0.24 0.37 0.03 0.02 0.00 0.00 177.57 178.40 2wdf h ARG 161 N 0.81 0.71 -0.68 1.57 3.08 -1.17 -1.94 114.38 116.76 2wdf h ARG 161 Ca 0.20 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 2wdf h ARG 161 Cb 0.12 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 2wdf h ARG 161 CO -0.03 0.47 0.41 2.35 -1.07 0.00 0.00 179.97 182.10 2wdf h TRP 162 N 0.74 0.91 -0.72 3.04 7.01 -1.00 -1.52 115.95 124.41 2wdf h TRP 162 Ca 0.23 -0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.33 2wdf h TRP 162 Cb -0.01 -0.30 -0.08 0.00 -2.10 0.00 0.00 29.16 26.68 2wdf h TRP 162 CO -0.05 0.62 0.34 1.96 -2.79 0.00 0.00 178.44 178.52 2wdf h GLN 163 N 0.93 0.54 -0.26 2.65 4.20 -0.52 -0.83 115.11 121.82 2wdf h GLN 163 Ca 0.24 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.83 2wdf h GLN 163 Cb -0.02 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 2wdf h GLN 163 CO -0.04 0.36 -0.25 -0.91 -0.67 0.00 0.00 178.83 177.32 2wdf h ASN 164 N 0.56 0.50 -0.32 1.46 2.35 -0.78 0.27 115.58 119.63 2wdf h ASN 164 Ca 0.37 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 2wdf h ASN 164 Cb 0.43 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2wdf h ASN 164 CO -0.30 0.74 0.16 -0.07 -1.65 0.00 0.00 177.43 176.31 2wdf h LEU 165 N 0.44 0.41 -0.24 1.61 3.38 -0.20 -3.08 115.31 117.63 2wdf h LEU 165 Ca 0.06 -0.11 -0.21 0.00 0.09 0.00 0.00 57.88 57.71 2wdf h LEU 165 Cb 0.67 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2wdf h LEU 165 CO 0.05 0.41 -0.88 1.62 0.09 0.00 0.00 178.44 179.73 2wdf h VAL 166 N 0.38 1.40 -0.63 1.22 3.04 -1.08 -3.49 116.25 117.09 2wdf h VAL 166 Ca 0.11 -2.36 0.00 0.00 -1.01 0.00 0.00 66.70 63.44 2wdf h VAL 166 Cb 0.10 2.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 2wdf h VAL 166 CO -0.02 0.71 0.00 0.61 -1.01 0.00 0.00 177.57 177.86 2wdf n GLY 167 N 0.83 0.70 3.68 3.17 0.00 0.07 -4.97 105.19 108.67 2wdf n GLY 167 Ca -0.06 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 2wdf n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wdf s VAL 168 N -2.21 4.81 0.09 1.61 1.01 -1.10 -4.68 120.40 119.94 2wdf s VAL 168 Ca 0.00 1.87 -0.12 0.00 0.00 0.00 0.00 61.98 63.72 2wdf s VAL 168 Cb 0.00 -4.24 -0.21 0.00 0.00 0.00 0.00 36.38 31.93 2wdf s VAL 168 CO 0.00 -0.00 1.23 0.44 0.00 0.00 0.00 175.10 176.77 2wdf h ASP 169 N 7.23 0.87 -5.16 3.32 3.32 -1.25 -3.25 116.42 121.49 2wdf h ASP 169 Ca -0.29 -0.67 -0.07 0.00 0.02 0.00 0.00 57.03 56.02 2wdf h ASP 169 Cb 1.13 -0.26 -0.13 0.00 0.22 0.00 0.00 39.33 40.29 2wdf h ASP 169 CO 0.86 1.47 -0.22 -1.00 -1.72 0.00 0.00 179.24 178.63 2wdf s HIS 170 N -3.40 0.11 0.07 4.55 3.76 -1.16 -1.41 115.29 117.80 2wdf s HIS 170 Ca -0.09 -0.48 -0.22 0.00 -0.15 0.00 0.00 55.06 54.12 2wdf s HIS 170 Cb 0.08 0.09 0.05 0.00 1.11 0.00 0.00 32.58 33.90 2wdf s HIS 170 CO 0.91 -0.70 0.51 0.00 -0.85 0.00 0.00 174.74 174.62 2wdf s MET 171 N -3.89 1.06 0.00 1.40 0.23 -1.25 -1.19 119.30 115.68 2wdf s MET 171 Ca 0.09 -0.32 0.00 0.00 -1.03 0.00 0.00 55.69 54.43 2wdf s MET 171 Cb 0.03 0.48 0.00 0.00 -1.53 0.00 0.00 34.83 33.81 2wdf s MET 171 CO -0.06 -0.40 0.00 1.33 -2.03 0.00 0.00 175.02 173.86 2wdf n VAL 172 N 0.24 0.00 -3.97 5.16 0.24 -1.02 -2.44 118.33 116.54 2wdf n VAL 172 Ca -0.18 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.03 2wdf n VAL 172 Cb 0.61 -0.08 -0.07 0.00 -1.47 0.00 0.00 33.84 32.83 2wdf n VAL 172 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2wdf s SER 173 N -0.94 0.01 0.00 -1.34 1.04 -1.26 -3.82 113.70 107.39 2wdf s SER 173 Ca 0.00 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.54 2wdf s SER 173 Cb 0.00 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2wdf s SER 173 CO 0.00 -0.93 0.00 1.57 0.98 0.00 0.00 173.24 174.86 2wdf n HIS 174 N -0.25 0.00 0.30 5.02 -0.00 -1.26 -2.07 115.22 116.96 2wdf n HIS 174 Ca -0.06 0.00 0.19 0.00 -0.00 0.00 0.00 57.72 57.85 2wdf n HIS 174 Cb 0.63 0.00 0.96 0.00 -0.00 0.00 0.00 29.99 31.58 2wdf n HIS 174 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.34 174.85 2wdf h TRP 175 N 0.00 0.00 -1.02 1.57 4.06 -1.96 -2.69 115.95 115.91 2wdf h TRP 175 Ca 0.00 0.00 0.25 0.00 2.06 0.00 0.00 58.89 61.20 2wdf h TRP 175 Cb 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 28.05 2wdf h TRP 175 CO 0.00 0.00 0.63 0.93 -3.56 0.00 0.00 178.44 176.44 2wdf h GLU 176 N 0.00 0.49 0.00 0.49 3.07 -1.96 0.17 114.58 116.85 2wdf h GLU 176 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 2wdf h GLU 176 Cb 0.12 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 2wdf h GLU 176 CO 0.00 0.33 0.00 0.91 -1.40 0.00 0.00 179.01 178.85 2wdf n TRP 177 N -4.78 0.35 1.24 4.33 7.02 -1.02 -2.04 117.44 122.54 2wdf n TRP 177 Ca 0.26 0.14 0.12 0.00 -1.02 0.00 0.00 57.50 57.01 2wdf n TRP 177 Cb 0.80 -0.73 0.63 0.00 -2.42 0.00 0.00 31.31 29.59 2wdf n TRP 177 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2wdf n THR 178 N -1.83 0.18 0.60 -0.99 -2.24 0.05 -1.39 114.28 108.67 2wdf n THR 178 Ca 0.02 0.05 0.13 0.00 -2.27 0.00 0.00 64.05 61.98 2wdf n THR 178 Cb 0.16 -0.66 0.35 0.00 -2.10 0.00 0.00 70.33 68.09 2wdf n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2wdf h LEU 179 N 0.00 0.00 0.00 3.22 3.38 -1.57 -3.45 115.31 116.89 2wdf h LEU 179 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2wdf h LEU 179 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2wdf h LEU 179 CO 0.00 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.16 2wdf n GLY 180 N 1.30 0.53 0.31 0.83 0.00 -0.48 -4.36 105.19 103.32 2wdf n GLY 180 Ca 0.05 -1.45 0.13 0.00 0.00 0.00 0.00 46.02 44.75 2wdf n GLY 180 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wdf h ARG 181 N 0.00 0.18 -0.02 1.61 3.08 -1.60 -1.51 114.38 116.13 2wdf h ARG 181 Ca 0.00 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 2wdf h ARG 181 Cb 0.00 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 2wdf h ARG 181 CO 0.00 0.12 0.01 0.93 -1.07 0.00 0.00 179.97 179.96 2wdf h GLU 182 N 0.18 0.03 -0.41 0.04 5.08 -1.88 -1.12 114.58 116.50 2wdf h GLU 182 Ca 0.55 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.84 2wdf h GLU 182 Cb 1.11 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 2wdf h GLU 182 CO -0.68 0.16 -0.02 -0.09 -1.00 0.00 0.00 179.01 177.39 2wdf h ARG 183 N -0.11 0.66 0.05 2.33 9.65 -1.58 -1.04 114.38 124.34 2wdf h ARG 183 Ca 0.01 -0.17 -0.00 0.00 -1.10 0.00 0.00 59.98 58.71 2wdf h ARG 183 Cb 0.14 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 2wdf h ARG 183 CO -0.00 0.70 -0.02 0.28 2.80 0.00 0.00 179.97 183.72 2wdf h VAL 184 N 0.62 1.06 -0.76 0.20 2.07 -1.22 0.23 116.25 118.46 2wdf h VAL 184 Ca 0.12 -0.35 0.13 0.00 0.82 0.00 0.00 66.70 67.43 2wdf h VAL 184 Cb 0.42 1.29 -0.09 0.00 -1.52 0.00 0.00 31.29 31.39 2wdf h VAL 184 CO 0.02 0.09 0.32 -0.08 0.02 0.00 0.00 177.57 177.94 2wdf h GLU 185 N -0.22 0.47 0.87 1.57 4.57 -0.86 -0.19 114.58 120.80 2wdf h GLU 185 Ca -0.01 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 2wdf h GLU 185 Cb 0.20 -0.11 0.01 0.00 -0.16 0.00 0.00 28.75 28.69 2wdf h GLU 185 CO 0.01 0.31 -0.44 1.49 -1.18 0.00 0.00 179.01 179.20 2wdf h GLU 186 N 0.49 -1.16 -0.37 1.92 4.81 -0.85 -3.11 114.58 116.31 2wdf h GLU 186 Ca 0.41 0.08 0.09 0.00 -0.13 0.00 0.00 59.36 59.81 2wdf h GLU 186 Cb 0.59 0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 2wdf h GLU 186 CO -0.38 -0.77 0.26 -0.07 -0.73 0.00 0.00 179.01 177.32 2wdf h LEU 187 N -1.20 0.07 -1.20 1.64 3.38 -0.29 0.73 115.31 118.44 2wdf h LEU 187 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2wdf h LEU 187 Cb 0.93 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.67 2wdf h LEU 187 CO 0.18 0.05 0.00 -0.07 0.09 0.00 0.00 178.44 178.69 2wdf h LEU 188 N 0.08 0.00 -0.16 1.67 3.38 -0.98 0.29 115.31 119.59 2wdf h LEU 188 Ca 0.17 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 2wdf h LEU 188 Cb 0.58 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2wdf h LEU 188 CO -0.02 0.00 -0.59 1.23 0.09 0.00 0.00 178.44 179.16 2wdf h GLY 189 N 2.02 0.00 0.88 0.83 0.00 -0.83 -3.26 103.07 102.71 2wdf h GLY 189 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 2wdf h GLY 189 CO 0.00 0.00 -1.79 -2.00 0.00 0.00 0.00 176.54 172.75 2wdf h LEU 190 N 0.00 0.28 -9.25 3.11 5.85 -1.31 -3.46 115.31 110.53 2wdf h LEU 190 Ca -0.01 -0.55 -0.57 0.00 0.84 0.00 0.00 57.88 57.59 2wdf h LEU 190 Cb 1.38 -0.09 0.02 0.00 0.37 0.00 0.00 40.66 42.34 2wdf h LEU 190 CO 0.08 1.49 1.23 0.33 -0.34 0.00 0.00 178.44 181.23 2wdf n PHE 191 N -3.34 2.35 0.33 1.25 7.35 0.01 -4.89 117.46 120.51 2wdf n PHE 191 Ca -0.23 -0.20 0.12 0.00 -0.76 0.00 0.00 57.45 56.38 2wdf n PHE 191 Cb 1.05 -2.74 0.22 0.00 0.35 0.00 0.00 39.48 38.36 2wdf n PHE 191 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2wdf h ARG 192 N 10.78 0.00 -7.80 -4.13 3.08 -1.89 -3.46 114.38 110.96 2wdf h ARG 192 Ca -0.47 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.13 2wdf h ARG 192 Cb 1.25 0.00 0.17 0.00 0.08 0.00 0.00 29.97 31.48 2wdf h ARG 192 CO 0.95 0.00 0.40 0.20 -1.07 0.00 0.00 179.97 180.45 2wdf s GLY 193 N -4.04 1.78 -0.26 0.04 0.00 -1.23 -5.02 107.32 98.59 2wdf s GLY 193 Ca 0.08 -1.23 -0.08 0.00 0.00 0.00 0.00 44.72 43.49 2wdf s GLY 193 CO 0.66 -0.42 0.08 1.85 0.00 0.00 0.00 173.10 175.27 2wdf s GLU 194 N -5.87 3.58 0.15 2.90 2.12 -0.50 -4.96 118.70 116.12 2wdf s GLU 194 Ca 0.75 -0.53 -0.30 0.00 0.36 0.00 0.00 54.97 55.25 2wdf s GLU 194 Cb -0.04 -3.36 -0.07 0.00 0.26 0.00 0.00 34.13 30.93 2wdf s GLU 194 CO 0.54 -0.23 1.04 0.12 -0.54 0.00 0.00 175.26 176.18 2wdf s PHE 195 N 1.61 3.69 0.13 5.30 5.36 -1.26 -3.74 117.98 129.07 2wdf s PHE 195 Ca 0.06 1.68 0.09 0.00 -0.96 0.00 0.00 56.93 57.80 2wdf s PHE 195 Cb -0.15 -3.18 -0.04 0.00 -0.34 0.00 0.00 43.02 39.31 2wdf s PHE 195 CO 0.04 -0.26 -0.20 -0.51 -1.46 0.00 0.00 175.22 172.83 2wdf s LEU 196 N -0.22 2.35 -0.30 6.12 1.43 -1.02 -4.41 118.68 122.63 2wdf s LEU 196 Ca 0.48 -0.76 -0.19 0.00 -1.03 0.00 0.00 54.13 52.64 2wdf s LEU 196 Cb -0.27 -0.89 0.20 0.00 0.03 0.00 0.00 46.19 45.27 2wdf s LEU 196 CO 0.33 0.03 1.29 -0.44 0.23 0.00 0.00 176.35 177.79 2wdf s SER 197 N -2.20 -0.05 0.26 2.29 0.01 -0.22 -4.54 113.70 109.24 2wdf s SER 197 Ca 0.10 0.07 0.23 0.00 1.31 0.00 0.00 55.95 57.67 2wdf s SER 197 Cb -0.08 1.05 0.26 0.00 0.21 0.00 0.00 66.02 67.46 2wdf s SER 197 CO 0.05 -0.01 1.36 0.10 0.41 0.00 0.00 173.24 175.15 2wdf h TYR 198 N 6.51 0.00 -0.01 2.43 -0.00 -1.43 -3.35 116.97 121.12 2wdf h TYR 198 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.56 2wdf h TYR 198 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.87 2wdf h TYR 198 CO 0.22 0.00 -0.55 0.27 -0.00 0.00 0.00 178.16 178.10 2wdf n ASN 199 N -2.65 1.37 -4.52 0.10 6.94 -1.26 -4.86 115.26 110.37 2wdf n ASN 199 Ca 0.03 -1.18 -0.43 0.00 -0.02 0.00 0.00 54.58 52.97 2wdf n ASN 199 Cb 0.51 0.69 -0.04 0.00 -2.36 0.00 0.00 39.78 38.57 2wdf n ASN 199 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2wdf s ILE 200 N -2.29 4.45 0.22 1.53 1.01 -1.26 -4.05 121.20 120.81 2wdf s ILE 200 Ca 0.11 0.27 0.07 0.00 0.00 0.00 0.00 60.65 61.11 2wdf s ILE 200 Cb 0.14 -4.50 -0.05 0.00 0.01 0.00 0.00 42.46 38.06 2wdf s ILE 200 CO 0.55 -1.04 -0.12 0.68 0.00 0.00 0.00 174.94 175.01 2wdf s VAL 201 N 3.79 1.67 0.17 2.92 -7.23 -0.65 -1.41 120.40 119.66 2wdf s VAL 201 Ca 0.30 -2.18 -0.31 0.00 -1.81 0.00 0.00 61.98 57.98 2wdf s VAL 201 Cb -0.13 -2.13 -0.09 0.00 0.56 0.00 0.00 36.38 34.60 2wdf s VAL 201 CO 0.19 -0.53 1.42 -0.62 -0.31 0.00 0.00 175.10 175.25 2wdf s ASP 202 N -3.34 6.75 0.08 4.85 2.15 -0.68 -0.83 116.67 125.66 2wdf s ASP 202 Ca 0.24 2.47 0.15 0.00 0.43 0.00 0.00 52.55 55.84 2wdf s ASP 202 Cb 0.00 -2.60 0.63 0.00 -0.30 0.00 0.00 42.92 40.66 2wdf s ASP 202 CO 0.08 -0.68 1.45 -0.90 -0.17 0.00 0.00 175.17 174.95 2wdf n ASP 203 N 3.37 0.20 -0.12 -0.34 5.68 -0.29 -0.98 116.55 124.07 2wdf n ASP 203 Ca 0.10 0.56 -0.25 0.00 -0.50 0.00 0.00 54.79 54.70 2wdf n ASP 203 Cb 0.41 -0.60 -0.08 0.00 -1.14 0.00 0.00 41.12 39.71 2wdf n ASP 203 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 2wdf n LEU 204 N -1.73 1.64 0.04 -2.12 7.94 -1.26 -4.72 117.00 116.80 2wdf n LEU 204 Ca 0.02 0.28 0.06 0.00 -1.11 0.00 0.00 56.01 55.27 2wdf n LEU 204 Cb 0.14 -0.69 -0.08 0.00 0.53 0.00 0.00 43.42 43.33 2wdf n LEU 204 CO 0.12 0.46 -0.34 0.49 -1.11 0.00 0.00 177.39 177.02 2wdf n PHE 205 N -4.05 0.69 -1.12 1.96 3.72 -1.25 -4.99 117.46 112.42 2wdf n PHE 205 Ca -0.45 0.21 -0.04 0.00 -0.05 0.00 0.00 57.45 57.12 2wdf n PHE 205 Cb 0.81 -0.90 -0.02 0.00 -0.94 0.00 0.00 39.48 38.44 2wdf n PHE 205 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wdf n GLY 206 N 1.31 0.69 3.72 1.37 0.00 -0.16 -4.99 105.19 107.13 2wdf n GLY 206 Ca -0.06 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.69 2wdf n GLY 206 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2wdf s ASP 207 N -2.94 7.03 0.38 1.61 3.84 -1.26 -4.66 116.67 120.67 2wdf s ASP 207 Ca 0.00 1.24 -0.27 0.00 -0.00 0.00 0.00 52.55 53.52 2wdf s ASP 207 Cb 0.00 -2.43 -0.10 0.00 -1.38 0.00 0.00 42.92 39.01 2wdf s ASP 207 CO 0.00 -0.12 1.42 -2.84 -0.00 0.00 0.00 175.17 173.63 2wdf s PRO 208 N 0.78 4.07 0.15 2.11 0.02 -1.26 -1.69 135.00 139.18 2wdf s PRO 208 Ca 0.39 2.44 0.16 0.00 0.02 0.00 0.00 61.00 64.00 2wdf s PRO 208 Cb -0.18 -2.91 -0.06 0.00 0.02 0.00 0.00 34.50 31.36 2wdf s PRO 208 CO 0.19 -0.51 1.09 -0.07 -0.33 0.00 0.00 177.00 177.37 2wdf h LEU 209 N 2.92 0.00 -9.05 -5.54 3.38 -1.57 -3.47 115.31 101.98 2wdf h LEU 209 Ca -0.50 0.00 -0.43 0.00 0.09 0.00 0.00 57.88 57.03 2wdf h LEU 209 Cb 1.24 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.85 2wdf h LEU 209 CO 0.64 0.57 -0.64 -0.36 0.09 0.00 0.00 178.44 178.73 2wdf s PHE 210 N -2.93 1.78 0.34 1.13 0.08 -1.26 -5.12 117.98 111.99 2wdf s PHE 210 Ca 0.00 -0.89 -0.29 0.00 0.12 0.00 0.00 56.93 55.88 2wdf s PHE 210 Cb 0.08 -1.07 -0.10 0.00 -0.57 0.00 0.00 43.02 41.36 2wdf s PHE 210 CO 0.79 0.04 1.35 -2.14 -0.10 0.00 0.00 175.22 175.15 2wdf s PRO 211 N -3.85 4.30 0.16 0.24 0.02 -1.26 -4.65 135.00 129.96 2wdf s PRO 211 Ca 0.31 2.29 -0.04 0.00 0.02 0.00 0.00 61.00 63.59 2wdf s PRO 211 Cb 0.06 -3.05 0.01 0.00 0.02 0.00 0.00 34.50 31.54 2wdf s PRO 211 CO 0.12 -0.27 1.40 0.00 -0.33 0.00 0.00 177.00 177.92 2wdf h ALA 212 N 3.37 0.52 -2.93 -1.55 0.00 -1.93 -0.56 119.26 116.18 2wdf h ALA 212 Ca -0.49 -0.62 0.02 0.00 0.00 0.00 0.00 54.91 53.82 2wdf h ALA 212 Cb 1.23 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 2wdf h ALA 212 CO 0.66 0.75 0.11 1.52 0.00 0.00 0.00 179.25 182.29 2wdf s TYR 213 N -3.60 -0.07 -0.01 0.00 -0.85 -1.26 -1.06 117.35 110.50 2wdf s TYR 213 Ca -0.06 -0.33 -0.00 0.00 -0.52 0.00 0.00 57.07 56.15 2wdf s TYR 213 Cb 0.10 0.51 0.02 0.00 0.38 0.00 0.00 41.96 42.97 2wdf s TYR 213 CO 0.85 -1.09 0.03 0.50 -1.52 0.00 0.00 175.55 174.32 2wdf s ARG 214 N -3.92 -0.01 -0.15 -3.49 6.06 -0.63 -4.97 118.95 111.83 2wdf s ARG 214 Ca 0.13 0.12 -0.15 0.00 -2.50 0.00 0.00 55.73 53.33 2wdf s ARG 214 Cb -0.03 -0.13 -0.04 0.00 0.06 0.00 0.00 34.95 34.80 2wdf s ARG 214 CO 0.04 -0.09 0.34 0.42 -2.50 0.00 0.00 175.30 173.51 2wdf s ILE 215 N 0.60 5.28 -0.02 4.11 1.01 -1.26 -0.98 121.20 129.94 2wdf s ILE 215 Ca -0.05 0.64 0.05 0.00 0.00 0.00 0.00 60.65 61.29 2wdf s ILE 215 Cb -0.07 -3.68 -0.03 0.00 0.01 0.00 0.00 42.46 38.70 2wdf s ILE 215 CO -0.02 0.37 -0.17 -1.00 0.00 0.00 0.00 174.94 174.12 2wdf s HIS 216 N 0.56 2.62 -0.02 3.97 3.76 0.09 -4.94 115.29 121.32 2wdf s HIS 216 Ca 0.19 -0.22 -0.29 0.00 -0.15 0.00 0.00 55.06 54.58 2wdf s HIS 216 Cb -0.13 -1.56 -0.03 0.00 1.11 0.00 0.00 32.58 31.96 2wdf s HIS 216 CO 0.05 0.18 0.95 0.50 -0.85 0.00 0.00 174.74 175.58 2wdf s ARG 217 N -0.96 4.53 -0.53 1.40 3.52 -1.26 -1.13 118.95 124.52 2wdf s ARG 217 Ca 0.12 1.35 0.04 0.00 -0.13 0.00 0.00 55.73 57.12 2wdf s ARG 217 Cb -0.11 -3.47 0.16 0.00 -1.56 0.00 0.00 34.95 29.98 2wdf s ARG 217 CO 0.02 -0.06 0.38 0.08 -0.81 0.00 0.00 175.30 174.90 2wdf s VAL 218 N 1.08 1.56 0.00 7.11 1.01 -0.32 -4.95 120.40 125.89 2wdf s VAL 218 Ca 0.50 -3.25 0.00 0.00 0.00 0.00 0.00 61.98 59.23 2wdf s VAL 218 Cb -0.20 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.13 2wdf s VAL 218 CO 0.26 -1.07 0.00 0.61 0.00 0.00 0.00 175.10 174.90 2wdf n GLY 219 N 2.68 2.83 0.01 4.51 0.00 -1.26 -2.31 105.19 111.65 2wdf n GLY 219 Ca 0.21 -0.26 0.12 0.00 0.00 0.00 0.00 46.02 46.09 2wdf n GLY 219 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wdf n PRO 220 N 12.79 0.05 -3.00 1.61 -0.04 -1.26 -4.93 135.00 140.21 2wdf n PRO 220 Ca 0.00 0.01 -0.18 0.00 -0.04 0.00 0.00 63.50 63.29 2wdf n PRO 220 Cb 0.00 -1.53 0.02 0.00 -0.04 0.00 0.00 33.50 31.96 2wdf n PRO 220 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2wdf s TYR 221 N -3.03 2.46 -0.09 0.54 2.02 -0.98 -5.13 117.35 113.16 2wdf s TYR 221 Ca 0.11 -0.46 0.02 0.00 -0.37 0.00 0.00 57.07 56.36 2wdf s TYR 221 Cb 0.17 -2.36 0.01 0.00 -0.40 0.00 0.00 41.96 39.39 2wdf s TYR 221 CO 0.69 -0.63 -0.13 0.00 -1.57 0.00 0.00 175.55 173.91 2wdf s ALA 222 N -2.45 1.44 -0.19 3.71 0.00 -1.26 -1.17 121.76 121.84 2wdf s ALA 222 Ca 0.57 -0.55 -0.01 0.00 0.00 0.00 0.00 51.96 51.97 2wdf s ALA 222 Cb -0.09 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.33 2wdf s ALA 222 CO 0.35 -0.01 -0.12 -1.17 0.00 0.00 0.00 175.76 174.81 2wdf s LEU 223 N 0.89 2.56 -0.15 0.00 2.96 -0.28 -0.67 118.68 123.98 2wdf s LEU 223 Ca -0.10 -0.48 -0.13 0.00 -0.22 0.00 0.00 54.13 53.20 2wdf s LEU 223 Cb -0.15 -1.61 -0.05 0.00 0.50 0.00 0.00 46.19 44.88 2wdf s LEU 223 CO 0.01 0.02 0.28 0.00 -1.32 0.00 0.00 176.35 175.34 2wdf s ALA 224 N 1.21 3.62 -0.37 5.97 0.00 0.25 -0.73 121.76 131.70 2wdf s ALA 224 Ca 0.02 -0.46 -0.09 0.00 0.00 0.00 0.00 51.96 51.43 2wdf s ALA 224 Cb -0.14 -2.36 0.04 0.00 0.00 0.00 0.00 23.12 20.66 2wdf s ALA 224 CO -0.05 0.14 0.17 0.08 0.00 0.00 0.00 175.76 176.10 2wdf s VAL 225 N 0.31 4.16 -0.02 0.00 1.01 -0.15 -0.20 120.40 125.51 2wdf s VAL 225 Ca 0.16 -1.09 -0.09 0.00 0.00 0.00 0.00 61.98 60.95 2wdf s VAL 225 Cb -0.13 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 32.82 2wdf s VAL 225 CO 0.04 -0.27 0.29 -0.69 0.00 0.00 0.00 175.10 174.47 2wdf s VAL 226 N 1.46 5.26 0.03 2.92 1.01 0.12 -1.61 120.40 129.59 2wdf s VAL 226 Ca 0.01 0.41 0.05 0.00 0.00 0.00 0.00 61.98 62.44 2wdf s VAL 226 Cb -0.20 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 2wdf s VAL 226 CO 0.04 0.49 -0.11 -0.83 0.00 0.00 0.00 175.10 174.69 2wdf s GLY 227 N -1.34 1.69 -0.04 4.51 0.00 -0.22 0.48 107.32 112.40 2wdf s GLY 227 Ca 0.23 -1.12 -0.02 0.00 0.00 0.00 0.00 44.72 43.82 2wdf s GLY 227 CO 0.12 -1.01 0.07 0.00 0.00 0.00 0.00 173.10 172.28 2wdf s ALA 228 N -1.00 0.10 0.32 3.20 0.00 -0.54 -1.42 121.76 122.42 2wdf s ALA 228 Ca 0.17 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.44 2wdf s ALA 228 Cb -0.11 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 2wdf s ALA 228 CO 0.08 -0.38 0.52 -1.12 0.00 0.00 0.00 175.76 174.85 2wdf s SER 229 N 1.84 6.32 -0.04 0.00 0.01 -1.26 -1.07 113.70 119.50 2wdf s SER 229 Ca 0.00 0.45 -0.34 0.00 1.31 0.00 0.00 55.95 57.37 2wdf s SER 229 Cb -0.12 -2.03 -0.12 0.00 0.21 0.00 0.00 66.02 63.95 2wdf s SER 229 CO -0.04 -0.24 1.80 0.00 0.41 0.00 0.00 173.24 175.18 2wdf n TYR 230 N -1.53 2.30 0.76 2.43 9.36 -0.88 -4.60 117.16 124.99 2wdf n TYR 230 Ca -0.05 0.08 0.12 0.00 3.32 0.00 0.00 57.90 61.37 2wdf n TYR 230 Cb 0.56 -2.63 0.50 0.00 -0.63 0.00 0.00 39.34 37.14 2wdf n TYR 230 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2wdf n PRO 231 N 5.84 0.06 -0.85 2.98 -0.04 -1.26 -3.82 135.00 137.91 2wdf n PRO 231 Ca 0.21 0.13 -0.05 0.00 -0.04 0.00 0.00 63.50 63.76 2wdf n PRO 231 Cb 0.29 -1.59 0.24 0.00 -0.04 0.00 0.00 33.50 32.40 2wdf n PRO 231 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2wdf n TYR 232 N -1.70 1.76 -0.12 0.54 4.01 -1.26 -4.05 117.16 116.34 2wdf n TYR 232 Ca 0.05 -1.36 0.08 0.00 -0.16 0.00 0.00 57.90 56.51 2wdf n TYR 232 Cb 0.31 -0.58 0.41 0.00 -0.31 0.00 0.00 39.34 39.16 2wdf n TYR 232 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2wdf h VAL 233 N 1.68 1.00 -0.57 -0.72 2.07 -1.93 -2.51 116.25 115.27 2wdf h VAL 233 Ca 0.25 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 67.46 2wdf h VAL 233 Cb 2.00 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 2wdf h VAL 233 CO 0.57 0.11 -0.03 0.50 0.02 0.00 0.00 177.57 178.73 2wdf h LYS 234 N 0.62 1.01 -0.00 1.57 3.64 -1.86 -2.87 116.57 118.68 2wdf h LYS 234 Ca 0.27 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2wdf h LYS 234 Cb 0.28 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2wdf h LYS 234 CO -0.08 1.01 -0.47 1.33 -2.27 0.00 0.00 179.45 178.96 2wdf n VAL 235 N -4.17 0.00 0.41 2.00 0.24 -1.14 -4.10 118.33 111.57 2wdf n VAL 235 Ca 0.02 -0.02 0.11 0.00 -2.04 0.00 0.00 64.34 62.42 2wdf n VAL 235 Cb 0.36 0.27 -0.09 0.00 -1.47 0.00 0.00 33.84 32.91 2wdf n VAL 235 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2wdf n SER 236 N -1.40 0.48 -4.14 -1.34 7.64 -0.96 -4.99 113.62 108.92 2wdf n SER 236 Ca 0.06 -0.29 -0.11 0.00 1.01 0.00 0.00 58.87 59.55 2wdf n SER 236 Cb 0.34 1.31 -0.09 0.00 -1.01 0.00 0.00 64.21 64.75 2wdf n SER 236 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2wdf s HIS 237 N -3.29 0.91 0.05 1.43 3.76 -1.09 -5.01 115.29 112.04 2wdf s HIS 237 Ca -0.00 -1.20 -0.36 0.00 -0.15 0.00 0.00 55.06 53.34 2wdf s HIS 237 Cb 0.14 -0.40 -0.15 0.00 1.11 0.00 0.00 32.58 33.28 2wdf s HIS 237 CO 0.86 -0.65 1.50 -2.30 -0.85 0.00 0.00 174.74 173.30 2wdf n PRO 238 N -0.23 1.50 0.06 8.40 -0.02 -1.26 -4.78 135.00 138.67 2wdf n PRO 238 Ca -0.02 0.54 0.15 0.00 -2.02 0.00 0.00 63.50 62.16 2wdf n PRO 238 Cb 0.65 -2.24 0.64 0.00 -0.02 0.00 0.00 33.50 32.52 2wdf n PRO 238 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2wdf h GLU 239 N 5.63 0.08 0.00 -0.52 3.07 -1.91 -2.05 114.58 118.88 2wdf h GLU 239 Ca -0.47 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.39 2wdf h GLU 239 Cb 1.31 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 2wdf h GLU 239 CO 0.84 0.05 0.00 0.66 -1.40 0.00 0.00 179.01 179.17 2wdf h SER 240 N 0.08 0.00 0.54 1.42 4.64 -1.95 -2.59 113.55 115.70 2wdf h SER 240 Ca 0.19 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.36 2wdf h SER 240 Cb 0.63 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.70 2wdf h SER 240 CO -0.02 0.00 -0.64 -0.26 -0.87 0.00 0.00 176.83 175.04 2wdf h PHE 241 N 0.00 0.12 0.00 4.77 0.04 -1.68 -3.31 116.94 116.88 2wdf h PHE 241 Ca 0.00 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 2wdf h PHE 241 Cb 0.22 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 38.30 2wdf h PHE 241 CO 0.00 0.71 -0.54 0.25 -0.60 0.00 0.00 178.31 178.13 2wdf n THR 242 N -3.80 1.86 -1.72 -1.55 -2.24 -1.00 -1.93 114.28 103.90 2wdf n THR 242 Ca -0.02 -2.84 -0.42 0.00 -2.27 0.00 0.00 64.05 58.50 2wdf n THR 242 Cb 0.64 -0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 2wdf n THR 242 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2wdf n GLU 243 N -0.90 2.66 -0.19 -0.78 4.07 -1.09 -1.56 120.64 122.85 2wdf n GLU 243 Ca 0.17 0.95 0.00 0.00 -0.06 0.00 0.00 57.16 58.22 2wdf n GLU 243 Cb 0.75 -2.76 0.00 0.00 -0.06 0.00 0.00 31.44 29.37 2wdf n GLU 243 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wdf n GLY 244 N 3.16 0.80 3.53 8.31 0.00 -1.26 -5.05 105.19 114.67 2wdf n GLY 244 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 2wdf n GLY 244 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wdf s LEU 245 N 0.00 2.83 -0.02 0.99 1.43 -0.60 -1.14 118.68 122.16 2wdf s LEU 245 Ca 0.00 -0.56 0.06 0.00 -1.03 0.00 0.00 54.13 52.60 2wdf s LEU 245 Cb 0.00 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 2wdf s LEU 245 CO 0.00 0.15 -0.20 -0.55 0.23 0.00 0.00 176.35 175.98 2wdf s SER 246 N -2.42 2.37 0.00 2.29 0.15 -0.01 -4.65 113.70 111.42 2wdf s SER 246 Ca 0.21 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.49 2wdf s SER 246 Cb -0.10 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 63.94 2wdf s SER 246 CO 0.12 0.25 0.81 0.49 1.20 0.00 0.00 173.24 176.11 2wdf n PHE 247 N 2.59 0.00 -1.51 3.44 3.72 -1.26 -1.64 117.46 122.81 2wdf n PHE 247 Ca -0.15 -0.31 -0.47 0.00 -0.05 0.00 0.00 57.45 56.46 2wdf n PHE 247 Cb 0.53 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 39.01 2wdf n PHE 247 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wdf n ALA 248 N -0.31 -1.51 -2.07 4.37 0.00 -1.26 -4.09 120.51 115.64 2wdf n ALA 248 Ca 0.00 0.43 -0.42 0.00 0.00 0.00 0.00 53.44 53.45 2wdf n ALA 248 Cb 0.17 -1.85 -0.03 0.00 0.00 0.00 0.00 19.45 17.74 2wdf n ALA 248 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2wdf s LEU 249 N 1.43 4.34 -0.36 0.00 2.96 -1.26 -4.85 118.68 120.94 2wdf s LEU 249 Ca 0.65 2.32 0.00 0.00 -0.22 0.00 0.00 54.13 56.89 2wdf s LEU 249 Cb -0.84 -3.56 0.12 0.00 0.50 0.00 0.00 46.19 42.40 2wdf s LEU 249 CO 0.57 -0.80 0.16 -0.62 -1.32 0.00 0.00 176.35 174.34 2wdf s ASP 250 N 2.05 3.85 0.29 3.68 -1.08 -1.26 -5.00 116.67 119.20 2wdf s ASP 250 Ca 0.69 -2.06 -0.02 0.00 -0.52 0.00 0.00 52.55 50.64 2wdf s ASP 250 Cb -0.36 -0.92 0.41 0.00 -1.46 0.00 0.00 42.92 40.59 2wdf s ASP 250 CO 0.30 -0.35 1.94 -0.33 0.52 0.00 0.00 175.17 177.24 2wdf h GLU 251 N 7.50 1.08 0.07 4.34 5.08 -1.98 0.15 114.58 130.82 2wdf h GLU 251 Ca -0.07 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2wdf h GLU 251 Cb 0.98 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 2wdf h GLU 251 CO 0.46 0.75 -0.05 -0.09 -1.00 0.00 0.00 179.01 179.08 2wdf h ARG 252 N 1.10 -0.11 -0.62 2.33 2.43 -1.98 0.32 114.38 117.84 2wdf h ARG 252 Ca 0.29 0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.39 2wdf h ARG 252 Cb -0.06 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.49 2wdf h ARG 252 CO -0.06 -0.08 0.08 -0.09 -1.51 0.00 0.00 179.97 178.32 2wdf h ARG 253 N -0.12 1.01 0.07 0.20 2.43 -1.86 0.33 114.38 116.44 2wdf h ARG 253 Ca -0.01 -0.27 -0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2wdf h ARG 253 Cb 0.10 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 2wdf h ARG 253 CO 0.01 0.94 -0.03 1.25 -1.51 0.00 0.00 179.97 180.63 2wdf h LEU 254 N 0.95 -0.08 -0.68 3.80 5.85 -0.45 -1.80 115.31 122.90 2wdf h LEU 254 Ca 0.19 -0.31 0.10 0.00 0.84 0.00 0.00 57.88 58.70 2wdf h LEU 254 Cb 0.44 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.41 2wdf h LEU 254 CO 0.01 0.27 0.29 -0.61 -0.34 0.00 0.00 178.44 178.07 2wdf h GLN 255 N -0.43 0.48 -0.62 1.25 5.75 -0.25 -1.36 115.11 119.91 2wdf h GLN 255 Ca -0.01 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.42 2wdf h GLN 255 Cb 0.38 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.79 2wdf h GLN 255 CO 0.02 0.32 0.24 1.49 -2.65 0.00 0.00 178.83 178.24 2wdf h GLU 256 N 0.49 0.92 -0.19 1.69 4.81 -0.83 -1.07 114.58 120.40 2wdf h GLU 256 Ca 0.34 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 59.34 2wdf h GLU 256 Cb 0.42 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 2wdf h GLU 256 CO -0.31 0.76 -0.26 0.00 -0.73 0.00 0.00 179.01 178.47 2wdf h ALA 257 N 1.36 1.20 -0.19 2.92 0.00 -0.37 -0.16 119.26 124.02 2wdf h ALA 257 Ca 0.21 -0.33 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 2wdf h ALA 257 Cb 0.19 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.88 2wdf h ALA 257 CO -0.02 0.52 -0.64 0.28 0.00 0.00 0.00 179.25 179.39 2wdf h VAL 258 N 0.32 1.29 -0.78 0.00 2.07 -1.02 -1.48 116.25 116.66 2wdf h VAL 258 Ca 0.05 -1.85 -0.04 0.00 0.82 0.00 0.00 66.70 65.68 2wdf h VAL 258 Cb 0.63 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 2wdf h VAL 258 CO 0.05 0.59 0.32 0.44 0.02 0.00 0.00 177.57 178.99 2wdf h ASP 259 N 0.50 1.07 -0.28 0.57 3.32 -0.93 -2.73 116.42 117.95 2wdf h ASP 259 Ca -0.03 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 56.78 2wdf h ASP 259 Cb 1.27 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 2wdf h ASP 259 CO 0.14 0.94 -0.13 0.50 -1.72 0.00 0.00 179.24 178.97 2wdf h LYS 260 N 1.13 0.58 -0.63 3.56 3.64 -0.97 -1.49 116.57 122.40 2wdf h LYS 260 Ca 0.26 -0.25 0.09 0.00 -1.27 0.00 0.00 60.65 59.48 2wdf h LYS 260 Cb 0.20 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.93 2wdf h LYS 260 CO -0.02 0.82 0.27 0.00 -2.27 0.00 0.00 179.45 178.24 2wdf h ALA 261 N 0.74 0.83 -0.45 5.00 0.00 -1.17 -0.17 119.26 124.06 2wdf h ALA 261 Ca 0.06 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 2wdf h ALA 261 Cb 0.64 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2wdf h ALA 261 CO 0.04 -0.15 -0.28 0.00 0.00 0.00 0.00 179.25 178.86 2wdf h ARG 262 N 0.47 0.98 -0.12 0.00 3.08 -1.41 -1.37 114.38 116.01 2wdf h ARG 262 Ca 0.31 -0.45 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 2wdf h ARG 262 Cb 0.36 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2wdf h ARG 262 CO -0.29 1.12 -0.00 0.00 -1.07 0.00 0.00 179.97 179.73 2wdf h ALA 263 N 0.84 1.78 -0.05 0.04 0.00 -0.59 -0.67 119.26 120.61 2wdf h ALA 263 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wdf h ALA 263 Cb 0.87 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2wdf h ALA 263 CO 0.08 0.17 0.00 0.39 0.00 0.00 0.00 179.25 179.89 2wdf n GLU 264 N -4.43 1.30 0.00 0.00 1.02 -0.14 -4.88 120.64 113.51 2wdf n GLU 264 Ca -0.01 -0.45 0.00 0.00 -0.02 0.00 0.00 57.16 56.68 2wdf n GLU 264 Cb 0.15 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 2wdf n GLU 264 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wdf n GLY 265 N 0.97 1.40 3.70 0.62 0.00 -0.26 -5.07 105.19 106.55 2wdf n GLY 265 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2wdf n GLY 265 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdf n ALA 266 N -0.27 2.43 0.04 4.61 0.00 -0.54 -4.57 120.51 122.21 2wdf n ALA 266 Ca 0.00 0.33 -0.20 0.00 0.00 0.00 0.00 53.44 53.57 2wdf n ALA 266 Cb 0.00 -2.58 -0.14 0.00 0.00 0.00 0.00 19.45 16.72 2wdf n ALA 266 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2wdf h ASN 267 N 8.12 0.46 -4.29 0.00 4.21 -1.15 -3.40 115.58 119.54 2wdf h ASN 267 Ca -0.45 -0.78 -0.52 0.00 1.21 0.00 0.00 56.30 55.76 2wdf h ASN 267 Cb 1.21 -0.15 -0.24 0.00 -1.12 0.00 0.00 38.32 38.03 2wdf h ASN 267 CO 0.95 1.68 -0.82 0.00 -1.29 0.00 0.00 177.43 177.95 2wdf s ALA 268 N -2.58 1.54 -0.14 -0.83 0.00 -1.06 -1.90 121.76 116.79 2wdf s ALA 268 Ca -0.16 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 50.77 2wdf s ALA 268 Cb 0.06 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.96 2wdf s ALA 268 CO 0.82 0.31 -0.16 0.08 0.00 0.00 0.00 175.76 176.81 2wdf s VAL 269 N -0.98 1.66 -0.15 0.00 1.01 -1.26 -0.58 120.40 120.10 2wdf s VAL 269 Ca 0.04 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 2wdf s VAL 269 Cb -0.09 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 2wdf s VAL 269 CO 0.02 0.47 -0.12 -0.69 0.00 0.00 0.00 175.10 174.79 2wdf s VAL 270 N 1.24 3.06 -0.40 2.92 1.01 0.72 -1.57 120.40 127.38 2wdf s VAL 270 Ca 0.00 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.18 2wdf s VAL 270 Cb -0.14 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.95 2wdf s VAL 270 CO -0.07 0.51 0.32 -0.22 0.00 0.00 0.00 175.10 175.64 2wdf s LEU 271 N 0.57 4.90 -0.62 3.92 2.96 0.15 0.14 118.68 130.71 2wdf s LEU 271 Ca -0.07 -0.72 -0.25 0.00 -0.22 0.00 0.00 54.13 52.87 2wdf s LEU 271 Cb -0.15 -2.22 0.05 0.00 0.50 0.00 0.00 46.19 44.36 2wdf s LEU 271 CO 0.03 -0.43 1.04 -0.22 -1.32 0.00 0.00 176.35 175.45 2wdf s LEU 272 N 1.81 3.94 0.04 -0.68 2.96 0.18 -0.86 118.68 126.08 2wdf s LEU 272 Ca 0.07 -0.50 0.05 0.00 -0.22 0.00 0.00 54.13 53.53 2wdf s LEU 272 Cb -0.18 -2.70 -0.03 0.00 0.50 0.00 0.00 46.19 43.77 2wdf s LEU 272 CO 0.11 -1.43 -0.11 -0.55 -1.32 0.00 0.00 176.35 173.06 2wdf s SER 273 N 3.26 4.33 -0.14 3.68 0.15 -0.40 -1.46 113.70 123.11 2wdf s SER 273 Ca 0.30 -0.28 0.17 0.00 0.70 0.00 0.00 55.95 56.84 2wdf s SER 273 Cb -0.12 -0.89 0.44 0.00 -1.71 0.00 0.00 66.02 63.73 2wdf s SER 273 CO 0.17 0.25 1.19 1.57 1.20 0.00 0.00 173.24 177.61 2wdf n HIS 274 N 1.35 0.37 0.10 3.44 -0.00 -0.23 -0.94 115.22 119.31 2wdf n HIS 274 Ca -0.15 -1.24 -0.16 0.00 0.46 0.00 0.00 57.72 56.63 2wdf n HIS 274 Cb 0.52 -0.22 -0.14 0.00 -0.12 0.00 0.00 29.99 30.03 2wdf n HIS 274 CO 0.00 0.00 0.00 -0.91 0.46 0.00 0.00 176.34 175.89 2wdf h ASN 275 N 1.25 0.43 0.00 0.26 2.35 -1.81 -3.06 115.58 115.00 2wdf h ASN 275 Ca -0.06 -0.47 0.00 0.00 -0.55 0.00 0.00 56.30 55.22 2wdf h ASN 275 Cb 1.42 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.65 2wdf h ASN 275 CO 0.13 1.37 0.00 0.61 -1.65 0.00 0.00 177.43 177.88 2wdf n GLY 276 N 1.54 3.34 0.37 2.83 0.00 -1.25 -4.72 105.19 107.30 2wdf n GLY 276 Ca -0.09 -1.51 0.04 0.00 0.00 0.00 0.00 46.02 44.46 2wdf n GLY 276 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2wdf h MET 277 N 0.00 1.05 -0.52 1.61 4.05 -1.88 0.86 114.93 120.09 2wdf h MET 277 Ca 0.00 -0.06 -0.12 0.00 -0.28 0.00 0.00 59.70 59.23 2wdf h MET 277 Cb 0.00 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 30.55 2wdf h MET 277 CO 0.00 0.69 -0.16 1.96 0.23 0.00 0.00 176.91 179.64 2wdf h GLN 278 N 1.08 1.02 -0.62 0.39 1.08 -1.92 0.95 115.11 117.09 2wdf h GLN 278 Ca 0.44 -0.41 -0.08 0.00 -1.45 0.00 0.00 58.65 57.15 2wdf h GLN 278 Cb 0.28 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.63 2wdf h GLN 278 CO -0.19 1.09 0.07 1.25 -0.95 0.00 0.00 178.83 180.10 2wdf h LEU 279 N 0.89 1.00 -0.72 1.46 5.85 -1.48 -1.13 115.31 121.18 2wdf h LEU 279 Ca 0.13 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2wdf h LEU 279 Cb 0.73 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 2wdf h LEU 279 CO 0.06 1.01 0.46 0.44 -0.34 0.00 0.00 178.44 180.07 2wdf h ASP 280 N 0.97 0.85 -0.54 1.25 3.32 -0.54 -1.43 116.42 120.29 2wdf h ASP 280 Ca 0.19 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2wdf h ASP 280 Cb 0.46 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 2wdf h ASP 280 CO 0.02 0.64 0.35 0.00 -1.72 0.00 0.00 179.24 178.52 2wdf h ALA 281 N 1.25 0.68 -0.61 3.45 0.00 -0.17 -1.93 119.26 121.92 2wdf h ALA 281 Ca 0.26 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2wdf h ALA 281 Cb -0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 2wdf h ALA 281 CO -0.05 0.13 0.31 0.00 0.00 0.00 0.00 179.25 179.64 2wdf h ALA 282 N 1.19 0.79 -0.35 0.00 0.00 -0.87 -2.46 119.26 117.56 2wdf h ALA 282 Ca 0.20 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2wdf h ALA 282 Cb -0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2wdf h ALA 282 CO -0.04 0.33 0.21 -0.07 0.00 0.00 0.00 179.25 179.68 2wdf h LEU 283 N 0.84 0.42 -2.11 0.00 3.38 -0.90 -1.67 115.31 115.26 2wdf h LEU 283 Ca 0.21 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2wdf h LEU 283 Cb 0.09 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2wdf h LEU 283 CO -0.03 0.33 -0.06 0.00 0.09 0.00 0.00 178.44 178.77 2wdf h ALA 284 N 1.74 1.61 -0.01 1.53 0.00 -0.86 0.44 119.26 123.72 2wdf h ALA 284 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2wdf h ALA 284 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2wdf h ALA 284 CO -0.02 0.07 -0.45 0.39 0.00 0.00 0.00 179.25 179.24 2wdf n GLU 285 N -4.04 0.71 -0.01 0.00 -0.58 -0.65 -4.35 120.64 111.73 2wdf n GLU 285 Ca -0.03 -0.50 0.00 0.00 -0.42 0.00 0.00 57.16 56.21 2wdf n GLU 285 Cb 0.14 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.49 2wdf n GLU 285 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2wdf n ARG 286 N -0.71 1.49 -4.19 3.49 1.74 -0.47 -5.02 116.66 113.00 2wdf n ARG 286 Ca 0.09 -0.02 -0.34 0.00 -0.77 0.00 0.00 57.85 56.81 2wdf n ARG 286 Cb 0.38 -1.10 -0.08 0.00 -1.02 0.00 0.00 32.46 30.64 2wdf n ARG 286 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2wdf s ILE 287 N -2.21 4.64 -0.03 0.55 -1.09 0.14 -5.08 121.20 118.12 2wdf s ILE 287 Ca -0.02 -0.26 -0.02 0.00 -2.23 0.00 0.00 60.65 58.12 2wdf s ILE 287 Cb 0.02 -3.03 -0.04 0.00 -1.58 0.00 0.00 42.46 37.83 2wdf s ILE 287 CO 0.17 0.50 0.13 -0.13 -1.23 0.00 0.00 174.94 174.38 2wdf s ARG 288 N -1.26 3.28 0.00 2.79 0.52 -1.26 -4.59 118.95 118.43 2wdf s ARG 288 Ca 0.17 -0.36 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 2wdf s ARG 288 Cb -0.12 -3.01 0.00 0.00 0.52 0.00 0.00 34.95 32.35 2wdf s ARG 288 CO 0.07 0.68 0.00 0.41 0.02 0.00 0.00 175.30 176.48 2wdf n GLY 289 N 1.25 0.71 3.57 -3.53 0.00 -1.26 -4.86 105.19 101.06 2wdf n GLY 289 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 2wdf n GLY 289 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wdf s ILE 290 N -2.11 5.19 -0.06 -0.61 1.01 -1.26 -4.44 121.20 118.92 2wdf s ILE 290 Ca 0.00 0.19 0.05 0.00 0.00 0.00 0.00 60.65 60.89 2wdf s ILE 290 Cb 0.00 -3.74 -0.24 0.00 0.01 0.00 0.00 42.46 38.48 2wdf s ILE 290 CO 0.00 0.02 0.61 0.44 0.00 0.00 0.00 174.94 176.02 2wdf h ASP 291 N 8.38 0.17 -3.75 3.58 3.32 -1.55 -3.38 116.42 123.19 2wdf h ASP 291 Ca -0.31 -0.35 -0.19 0.00 0.02 0.00 0.00 57.03 56.20 2wdf h ASP 291 Cb 1.16 -0.05 -0.27 0.00 0.22 0.00 0.00 39.33 40.38 2wdf h ASP 291 CO 0.66 1.31 -0.50 -0.22 -1.72 0.00 0.00 179.24 178.76 2wdf s LEU 292 N -6.49 1.19 -0.14 1.55 2.96 -1.09 -1.63 118.68 115.03 2wdf s LEU 292 Ca -0.10 0.38 0.02 0.00 -0.22 0.00 0.00 54.13 54.21 2wdf s LEU 292 Cb 0.07 0.63 0.01 0.00 0.50 0.00 0.00 46.19 47.41 2wdf s LEU 292 CO 0.81 -0.08 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.93 2wdf s ILE 293 N 0.24 1.92 -0.59 6.68 1.01 0.69 -0.67 121.20 130.48 2wdf s ILE 293 Ca -0.01 -0.89 -0.18 0.00 0.00 0.00 0.00 60.65 59.57 2wdf s ILE 293 Cb -0.03 -1.71 0.12 0.00 0.01 0.00 0.00 42.46 40.85 2wdf s ILE 293 CO -0.01 0.52 0.64 -0.76 0.00 0.00 0.00 174.94 175.33 2wdf s LEU 294 N 0.92 5.73 -0.38 2.97 1.43 -0.04 -0.77 118.68 128.55 2wdf s LEU 294 Ca -0.05 -1.62 -0.23 0.00 -1.03 0.00 0.00 54.13 51.20 2wdf s LEU 294 Cb -0.15 -2.27 0.01 0.00 0.03 0.00 0.00 46.19 43.81 2wdf s LEU 294 CO -0.03 -1.00 0.77 -0.44 0.23 0.00 0.00 176.35 175.88 2wdf s SER 295 N 3.57 6.52 0.03 2.29 0.01 0.10 -1.28 113.70 124.95 2wdf s SER 295 Ca 0.09 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.63 2wdf s SER 295 Cb -0.26 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.58 2wdf s SER 295 CO 0.04 -0.75 0.00 0.61 0.41 0.00 0.00 173.24 173.56 2wdf n GLY 296 N 4.60 1.77 4.88 3.44 0.00 -0.12 -1.13 105.19 118.63 2wdf n GLY 296 Ca 0.03 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.98 2wdf n GLY 296 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2wdf n HIS 297 N -0.53 0.00 1.36 1.61 -0.00 -1.26 -3.74 115.22 112.65 2wdf n HIS 297 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.72 57.86 2wdf n HIS 297 Cb 0.00 0.00 0.58 0.00 -0.00 0.00 0.00 29.99 30.57 2wdf n HIS 297 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 2wdf n THR 298 N 0.00 0.00 -2.37 3.57 -2.24 -1.26 -4.94 114.28 107.04 2wdf n THR 298 Ca 0.00 -0.06 -0.20 0.00 -2.27 0.00 0.00 64.05 61.52 2wdf n THR 298 Cb 0.00 -0.07 -0.01 0.00 -2.10 0.00 0.00 70.33 68.15 2wdf n THR 298 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2wdf n HIS 299 N -0.99 -0.94 -1.93 4.78 -0.00 -1.26 -4.99 115.22 109.89 2wdf n HIS 299 Ca 0.13 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.56 2wdf n HIS 299 Cb 0.29 -3.85 0.07 0.00 -0.00 0.00 0.00 29.99 26.49 2wdf n HIS 299 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2wdf s ASP 300 N -2.11 4.94 -0.05 0.41 1.01 -1.26 -4.56 116.67 115.04 2wdf s ASP 300 Ca 0.00 0.90 0.02 0.00 0.71 0.00 0.00 52.55 54.17 2wdf s ASP 300 Cb 0.00 -1.54 0.02 0.00 1.01 0.00 0.00 42.92 42.41 2wdf s ASP 300 CO 0.00 -1.63 -0.09 -0.76 0.21 0.00 0.00 175.17 172.90 2wdf s LEU 301 N -5.45 1.51 -0.45 1.23 1.43 -1.26 -0.36 118.68 115.34 2wdf s LEU 301 Ca 0.60 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 2wdf s LEU 301 Cb -0.11 -0.64 0.15 0.00 0.03 0.00 0.00 46.19 45.62 2wdf s LEU 301 CO 0.50 -0.00 0.29 0.42 0.23 0.00 0.00 176.35 177.78 2wdf s THR 302 N 0.75 1.06 0.60 5.49 -4.23 -1.26 -4.88 115.64 113.17 2wdf s THR 302 Ca -0.13 -2.62 0.29 0.00 -1.18 0.00 0.00 61.69 58.05 2wdf s THR 302 Cb -0.15 -1.74 0.36 0.00 1.34 0.00 0.00 72.50 72.32 2wdf s THR 302 CO 0.02 -1.01 2.04 -0.65 -0.54 0.00 0.00 174.62 174.47 2wdf h PRO 303 N 6.35 0.00 -5.30 3.99 0.11 -1.97 -3.39 132.00 131.79 2wdf h PRO 303 Ca 0.09 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.73 2wdf h PRO 303 Cb 0.91 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 31.74 2wdf h PRO 303 CO 0.44 0.00 -0.81 1.03 -0.21 0.00 0.00 178.00 178.45 2wdf s ARG 304 N -4.56 1.08 0.48 1.05 0.52 -1.26 -4.64 118.95 111.62 2wdf s ARG 304 Ca -0.04 -0.58 -0.23 0.00 -0.52 0.00 0.00 55.73 54.35 2wdf s ARG 304 Cb 0.15 -1.06 -0.07 0.00 0.52 0.00 0.00 34.95 34.49 2wdf s ARG 304 CO 0.51 0.28 1.30 -1.25 0.02 0.00 0.00 175.30 176.17 2wdf s PRO 305 N -0.58 3.55 -0.32 3.54 0.04 -1.26 -4.97 135.00 135.00 2wdf s PRO 305 Ca 0.04 2.12 -0.22 0.00 0.04 0.00 0.00 61.00 62.99 2wdf s PRO 305 Cb -0.06 -2.46 -0.00 0.00 0.04 0.00 0.00 34.50 32.02 2wdf s PRO 305 CO 0.00 -0.82 0.70 -0.46 0.04 0.00 0.00 177.00 176.45 2wdf s TRP 306 N -1.34 3.18 -0.35 0.56 -0.00 0.10 -4.81 118.94 116.27 2wdf s TRP 306 Ca 0.65 0.60 -0.25 0.00 -0.00 0.00 0.00 56.10 57.10 2wdf s TRP 306 Cb -0.37 -3.14 0.01 0.00 -0.00 0.00 0.00 33.47 29.97 2wdf s TRP 306 CO 0.46 -0.57 0.88 0.50 -0.00 0.00 0.00 176.95 178.22 2wdf s ARG 307 N 2.80 3.85 -0.12 5.86 6.06 -1.26 -0.40 118.95 135.73 2wdf s ARG 307 Ca 0.28 0.55 0.00 0.00 -2.50 0.00 0.00 55.73 54.06 2wdf s ARG 307 Cb -0.14 -3.79 0.02 0.00 0.06 0.00 0.00 34.95 31.10 2wdf s ARG 307 CO 0.13 -0.88 -0.11 0.08 -2.50 0.00 0.00 175.30 172.02 2wdf s VAL 308 N 3.31 1.30 0.00 7.11 1.01 0.43 -4.98 120.40 128.57 2wdf s VAL 308 Ca 0.36 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.86 2wdf s VAL 308 Cb -0.13 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 35.01 2wdf s VAL 308 CO 0.17 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2wdf n GLY 309 N 4.70 3.48 0.85 4.51 0.00 -1.26 -0.46 105.19 117.00 2wdf n GLY 309 Ca -0.16 0.24 0.02 0.00 0.00 0.00 0.00 46.02 46.12 2wdf n GLY 309 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wdf n LYS 310 N 9.90 1.98 -4.55 1.61 5.02 -1.26 -5.00 118.16 125.85 2wdf n LYS 310 Ca 0.00 -3.03 -0.27 0.00 -2.02 0.00 0.00 58.31 53.00 2wdf n LYS 310 Cb 0.00 -1.75 -0.14 0.00 -0.02 0.00 0.00 35.03 33.13 2wdf n LYS 310 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2wdf s THR 311 N -3.09 1.87 -0.11 -0.18 2.01 0.39 -4.63 115.64 111.89 2wdf s THR 311 Ca 0.41 -1.42 -0.04 0.00 0.31 0.00 0.00 61.69 60.95 2wdf s THR 311 Cb 0.37 -1.64 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 2wdf s THR 311 CO 0.01 0.15 0.05 0.26 -0.69 0.00 0.00 174.62 174.40 2wdf s TRP 312 N -0.94 3.31 -0.09 4.92 0.52 -0.64 -0.43 118.94 125.59 2wdf s TRP 312 Ca 0.09 0.27 0.04 0.00 0.02 0.00 0.00 56.10 56.52 2wdf s TRP 312 Cb -0.10 -1.88 0.00 0.00 -1.15 0.00 0.00 33.47 30.35 2wdf s TRP 312 CO 0.03 0.50 -0.22 0.42 0.02 0.00 0.00 176.95 177.71 2wdf s ILE 313 N -0.74 1.87 -0.10 2.03 1.01 0.46 -0.22 121.20 125.50 2wdf s ILE 313 Ca 0.12 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.86 2wdf s ILE 313 Cb -0.12 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.75 2wdf s ILE 313 CO 0.03 0.52 -0.11 -0.69 0.00 0.00 0.00 174.94 174.69 2wdf s VAL 314 N 0.34 1.17 0.53 2.92 1.01 0.05 -0.72 120.40 125.70 2wdf s VAL 314 Ca -0.16 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 2wdf s VAL 314 Cb -0.17 -1.12 -0.06 0.00 0.00 0.00 0.00 36.38 35.03 2wdf s VAL 314 CO 0.07 0.38 0.94 0.00 0.00 0.00 0.00 175.10 176.49 2wdf s ALA 315 N 1.28 3.17 -2.36 5.51 0.00 -1.26 0.02 121.76 128.11 2wdf s ALA 315 Ca -0.02 -0.07 0.22 0.00 0.00 0.00 0.00 51.96 52.09 2wdf s ALA 315 Cb -0.14 -2.97 0.50 0.00 0.00 0.00 0.00 23.12 20.52 2wdf s ALA 315 CO -0.04 -0.38 1.44 0.41 0.00 0.00 0.00 175.76 177.19 2wdf n GLY 316 N -2.05 1.65 7.00 0.00 0.00 -0.28 -4.64 105.19 106.87 2wdf n GLY 316 Ca 0.05 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2wdf n GLY 316 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2wdf n SER 317 N 1.35 0.00 -3.62 1.61 2.88 0.52 -2.70 113.62 113.66 2wdf n SER 317 Ca 0.20 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.70 2wdf n SER 317 Cb 0.57 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.01 2wdf n SER 317 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wdf s ALA 318 N -1.71 -1.98 -1.51 -1.46 0.00 -1.25 -4.35 121.76 109.50 2wdf s ALA 318 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 51.96 52.85 2wdf s ALA 318 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.42 2wdf s ALA 318 CO 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 175.76 174.91 2wdf n ALA 319 N -0.32 -0.22 -1.02 0.00 0.00 0.93 -1.60 120.51 118.28 2wdf n ALA 319 Ca -0.06 0.23 -0.01 0.00 0.00 0.00 0.00 53.44 53.61 2wdf n ALA 319 Cb 0.61 -1.74 -0.00 0.00 0.00 0.00 0.00 19.45 18.31 2wdf n ALA 319 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdf n GLY 320 N -0.05 0.47 0.22 0.00 0.00 -1.26 -4.62 105.19 99.94 2wdf n GLY 320 Ca -0.14 -0.46 0.08 0.00 0.00 0.00 0.00 46.02 45.49 2wdf n GLY 320 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2wdf h LYS 321 N 0.52 0.00 -3.28 1.61 2.10 -1.64 -3.12 116.57 112.77 2wdf h LYS 321 Ca -0.01 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.51 2wdf h LYS 321 Cb 0.07 0.00 -0.20 0.00 -0.90 0.00 0.00 32.23 31.20 2wdf h LYS 321 CO 0.02 0.27 -0.39 0.00 -2.00 0.00 0.00 179.45 177.36 2wdf s ALA 322 N -3.92 -0.55 -0.24 0.07 0.00 -1.26 -0.82 121.76 115.04 2wdf s ALA 322 Ca -0.01 0.09 -0.05 0.00 0.00 0.00 0.00 51.96 51.99 2wdf s ALA 322 Cb 0.12 0.09 -0.00 0.00 0.00 0.00 0.00 23.12 23.33 2wdf s ALA 322 CO 0.66 -0.23 -0.00 -1.17 0.00 0.00 0.00 175.76 175.01 2wdf s LEU 323 N -1.36 3.20 -0.31 0.00 2.96 -0.48 -4.73 118.68 117.96 2wdf s LEU 323 Ca -0.14 -0.47 -0.23 0.00 -0.22 0.00 0.00 54.13 53.06 2wdf s LEU 323 Cb -0.06 -1.79 0.00 0.00 0.50 0.00 0.00 46.19 44.84 2wdf s LEU 323 CO 0.03 -0.07 0.77 -0.04 -1.32 0.00 0.00 176.35 175.73 2wdf s MET 324 N 1.49 3.95 -0.31 1.98 -1.94 0.70 -1.08 119.30 124.09 2wdf s MET 324 Ca 0.05 0.55 -0.12 0.00 -1.71 0.00 0.00 55.69 54.45 2wdf s MET 324 Cb -0.15 -3.73 -0.04 0.00 2.01 0.00 0.00 34.83 32.92 2wdf s MET 324 CO -0.01 -0.68 0.21 0.50 -0.01 0.00 0.00 175.02 175.03 2wdf s ARG 325 N 2.94 3.75 -0.28 2.03 3.52 -0.35 -0.70 118.95 129.86 2wdf s ARG 325 Ca 0.32 -0.46 0.02 0.00 -0.13 0.00 0.00 55.73 55.48 2wdf s ARG 325 Cb -0.14 -3.72 0.06 0.00 -1.56 0.00 0.00 34.95 29.59 2wdf s ARG 325 CO 0.13 -0.30 -0.07 0.08 -0.81 0.00 0.00 175.30 174.33 2wdf s VAL 326 N 1.75 2.38 -0.15 7.11 1.01 0.18 -1.28 120.40 131.39 2wdf s VAL 326 Ca 0.07 -1.65 -0.14 0.00 0.00 0.00 0.00 61.98 60.25 2wdf s VAL 326 Cb -0.17 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 2wdf s VAL 326 CO 0.11 -0.11 0.32 -1.81 0.00 0.00 0.00 175.10 173.61 2wdf s ASP 327 N 1.13 6.47 -0.08 3.32 1.01 0.19 0.03 116.67 128.74 2wdf s ASP 327 Ca -0.06 0.55 0.03 0.00 0.71 0.00 0.00 52.55 53.78 2wdf s ASP 327 Cb -0.20 -2.20 -0.02 0.00 1.01 0.00 0.00 42.92 41.52 2wdf s ASP 327 CO -0.04 0.08 -0.18 -0.76 0.21 0.00 0.00 175.17 174.48 2wdf s LEU 328 N 0.49 2.49 -0.34 1.23 1.43 0.15 -0.59 118.68 123.53 2wdf s LEU 328 Ca 0.18 -0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 52.82 2wdf s LEU 328 Cb -0.13 -1.51 0.01 0.00 0.03 0.00 0.00 46.19 44.59 2wdf s LEU 328 CO 0.05 0.25 0.18 -0.54 0.23 0.00 0.00 176.35 176.52 2wdf s LYS 329 N -0.17 3.09 0.27 1.70 1.02 -0.62 0.50 119.74 125.52 2wdf s LYS 329 Ca -0.02 -0.90 0.04 0.00 0.02 0.00 0.00 55.97 55.12 2wdf s LYS 329 Cb -0.14 -3.65 -0.03 0.00 -0.52 0.00 0.00 37.83 33.50 2wdf s LYS 329 CO 0.03 -0.56 0.41 -0.51 -0.92 0.00 0.00 175.35 173.81 2wdf s LEU 330 N 1.59 4.22 0.20 3.17 1.43 -1.26 -0.35 118.68 127.68 2wdf s LEU 330 Ca 0.03 0.15 -0.00 0.00 -1.03 0.00 0.00 54.13 53.28 2wdf s LEU 330 Cb -0.18 -2.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.03 2wdf s LEU 330 CO 0.06 -0.15 0.10 -1.66 0.23 0.00 0.00 176.35 174.93 2wdf s TRP 331 N -2.08 1.19 0.47 0.29 1.48 -0.58 -4.70 118.94 115.02 2wdf s TRP 331 Ca 0.36 -1.27 0.30 0.00 -1.06 0.00 0.00 56.10 54.43 2wdf s TRP 331 Cb -0.09 -0.63 1.39 0.00 -1.16 0.00 0.00 33.47 32.97 2wdf s TRP 331 CO 0.31 -0.51 1.74 -0.22 -4.06 0.00 0.00 176.95 174.21 2wdf h LYS 332 N 2.62 0.15 -0.40 3.25 3.64 -2.00 -2.32 116.57 121.51 2wdf h LYS 332 Ca -0.36 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 2wdf h LYS 332 Cb 1.23 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2wdf h LYS 332 CO 0.57 0.10 0.00 0.41 -2.27 0.00 0.00 179.45 178.26 2wdf n GLY 333 N -1.63 2.83 0.00 5.01 0.00 -1.26 -4.60 105.19 105.54 2wdf n GLY 333 Ca 0.29 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2wdf n GLY 333 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdf n GLY 334 N 0.60 -0.24 3.44 -0.02 0.00 -0.80 -4.86 105.19 103.31 2wdf n GLY 334 Ca 0.14 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 2wdf n GLY 334 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wdf s ILE 335 N -4.00 4.55 0.02 -0.61 1.01 -1.26 -1.53 121.20 119.38 2wdf s ILE 335 Ca 0.00 -0.36 -0.21 0.00 0.00 0.00 0.00 60.65 60.08 2wdf s ILE 335 Cb 0.00 -3.28 -0.17 0.00 0.01 0.00 0.00 42.46 39.01 2wdf s ILE 335 CO 0.00 0.12 1.24 0.00 0.00 0.00 0.00 174.94 176.31 2wdf h ALA 336 N 8.33 0.16 -2.95 9.38 0.00 -0.97 -3.47 119.26 129.74 2wdf h ALA 336 Ca -0.33 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.22 2wdf h ALA 336 Cb 1.15 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 2wdf h ALA 336 CO 0.60 0.15 0.13 1.21 0.00 0.00 0.00 179.25 181.35 2wdf s ASN 337 N -6.28 -0.21 -0.00 0.00 3.84 -1.13 -5.03 114.94 106.13 2wdf s ASN 337 Ca -0.14 -0.71 -0.21 0.00 0.21 0.00 0.00 52.86 52.01 2wdf s ASN 337 Cb 0.04 0.69 0.04 0.00 -0.55 0.00 0.00 41.25 41.48 2wdf s ASN 337 CO 0.76 -1.30 0.46 -1.48 -2.79 0.00 0.00 177.10 172.76 2wdf s LEU 338 N -2.95 0.22 -0.13 3.21 2.34 -1.26 -1.59 118.68 118.52 2wdf s LEU 338 Ca 0.14 0.25 0.02 0.00 0.06 0.00 0.00 54.13 54.60 2wdf s LEU 338 Cb -0.05 1.83 -0.00 0.00 -0.56 0.00 0.00 46.19 47.41 2wdf s LEU 338 CO 0.08 -0.57 -0.19 -0.60 -1.06 0.00 0.00 176.35 174.00 2wdf s ARG 339 N -1.67 3.15 -0.13 1.48 3.52 0.24 -4.95 118.95 120.59 2wdf s ARG 339 Ca -0.10 -0.80 0.01 0.00 -0.13 0.00 0.00 55.73 54.71 2wdf s ARG 339 Cb -0.02 -2.49 -0.01 0.00 -1.56 0.00 0.00 34.95 30.87 2wdf s ARG 339 CO 0.04 0.09 -0.17 0.08 -0.81 0.00 0.00 175.30 174.53 2wdf s VAL 340 N 0.59 2.68 -0.07 7.11 1.01 -1.26 -0.64 120.40 129.82 2wdf s VAL 340 Ca -0.11 -0.79 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 2wdf s VAL 340 Cb -0.16 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.14 2wdf s VAL 340 CO 0.03 0.53 -0.03 -0.13 0.00 0.00 0.00 175.10 175.50 2wdf s ARG 341 N 0.47 0.84 -0.45 2.72 1.81 -0.40 -4.85 118.95 119.08 2wdf s ARG 341 Ca -0.12 -0.04 -0.25 0.00 -1.72 0.00 0.00 55.73 53.61 2wdf s ARG 341 Cb -0.16 -1.01 0.03 0.00 -0.45 0.00 0.00 34.95 33.36 2wdf s ARG 341 CO 0.05 -0.20 0.89 0.08 -0.68 0.00 0.00 175.30 175.44 2wdf s VAL 342 N 1.47 4.52 -0.38 3.52 1.01 -1.26 -1.21 120.40 128.07 2wdf s VAL 342 Ca -0.02 0.69 -0.16 0.00 0.00 0.00 0.00 61.98 62.49 2wdf s VAL 342 Cb -0.13 -4.40 0.00 0.00 0.00 0.00 0.00 36.38 31.85 2wdf s VAL 342 CO -0.03 -0.79 0.39 -0.76 0.00 0.00 0.00 175.10 173.91 2wdf s LEU 343 N 3.62 4.63 0.21 3.92 1.43 -0.24 -4.97 118.68 127.29 2wdf s LEU 343 Ca 0.35 -0.43 -0.30 0.00 -1.03 0.00 0.00 54.13 52.72 2wdf s LEU 343 Cb -0.11 -2.36 -0.10 0.00 0.03 0.00 0.00 46.19 43.66 2wdf s LEU 343 CO 0.25 -0.44 1.43 -2.84 0.23 0.00 0.00 176.35 174.98 2wdf s PRO 344 N 2.06 4.29 -0.91 1.29 0.02 -1.26 -1.38 135.00 139.11 2wdf s PRO 344 Ca 0.12 2.25 -0.20 0.00 0.02 0.00 0.00 61.00 63.18 2wdf s PRO 344 Cb -0.17 -3.15 0.11 0.00 0.02 0.00 0.00 34.50 31.32 2wdf s PRO 344 CO 0.12 -0.42 1.15 0.08 -0.33 0.00 0.00 177.00 177.60 2wdf s VAL 345 N 0.31 4.56 -0.39 3.83 1.01 -0.00 -4.90 120.40 124.82 2wdf s VAL 345 Ca 0.61 -1.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 2wdf s VAL 345 Cb -0.41 -4.81 0.08 0.00 0.00 0.00 0.00 36.38 31.25 2wdf s VAL 345 CO 0.39 -1.56 0.19 -0.76 0.00 0.00 0.00 175.10 173.36 2wdf s LEU 346 N 3.18 4.92 0.37 3.92 1.43 -1.26 -1.30 118.68 129.93 2wdf s LEU 346 Ca 0.33 -1.58 0.12 0.00 -1.03 0.00 0.00 54.13 51.98 2wdf s LEU 346 Cb -0.06 -1.89 0.92 0.00 0.03 0.00 0.00 46.19 45.19 2wdf s LEU 346 CO -0.07 -0.48 1.84 0.00 0.23 0.00 0.00 176.35 177.87 2wdf h ALA 347 N 8.23 1.97 0.00 4.21 0.00 -1.77 0.53 119.26 132.44 2wdf h ALA 347 Ca -0.20 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2wdf h ALA 347 Cb 1.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2wdf h ALA 347 CO 0.69 -0.26 0.00 0.39 0.00 0.00 0.00 179.25 180.07 2wdf n GLU 348 N -4.58 0.16 -0.08 0.00 1.02 -1.26 -3.31 120.64 112.59 2wdf n GLU 348 Ca 0.20 0.36 0.08 0.00 -0.02 0.00 0.00 57.16 57.77 2wdf n GLU 348 Cb 0.60 -1.79 0.12 0.00 -0.02 0.00 0.00 31.44 30.35 2wdf n GLU 348 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2wdf n HIS 349 N -2.08 0.00 -4.24 -0.32 8.25 0.16 -5.03 115.22 111.95 2wdf n HIS 349 Ca 0.03 -0.89 -0.21 0.00 -0.26 0.00 0.00 57.72 56.39 2wdf n HIS 349 Cb 0.24 -0.13 -0.12 0.00 1.12 0.00 0.00 29.99 31.10 2wdf n HIS 349 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2wdf s LEU 350 N -2.51 2.32 1.02 2.41 1.43 -1.07 -4.98 118.68 117.31 2wdf s LEU 350 Ca 0.26 -0.70 -0.15 0.00 -1.03 0.00 0.00 54.13 52.52 2wdf s LEU 350 Cb 0.23 -0.69 0.20 0.00 0.03 0.00 0.00 46.19 45.96 2wdf s LEU 350 CO 0.02 -0.03 1.15 -2.16 0.23 0.00 0.00 176.35 175.57 2wdf s PRO 351 N -2.06 0.22 0.39 1.29 0.04 -1.26 -4.95 135.00 128.66 2wdf s PRO 351 Ca 0.05 0.10 -0.14 0.00 0.04 0.00 0.00 61.00 61.05 2wdf s PRO 351 Cb -0.09 -1.75 -0.08 0.00 0.04 0.00 0.00 34.50 32.62 2wdf s PRO 351 CO 0.04 -2.78 0.80 0.15 0.04 0.00 0.00 177.00 175.24 2wdf s LYS 352 N -5.37 3.93 -0.78 4.56 3.01 -1.26 -4.75 119.74 119.08 2wdf s LYS 352 Ca 0.68 0.67 -0.04 0.00 -1.01 0.00 0.00 55.97 56.27 2wdf s LYS 352 Cb -0.12 -2.35 0.20 0.00 -1.01 0.00 0.00 37.83 34.54 2wdf s LYS 352 CO 0.55 0.01 0.64 0.00 0.51 0.00 0.00 175.35 177.05 2wdf s ALA 353 N -2.24 3.96 0.30 5.17 0.00 -1.26 -4.90 121.76 122.79 2wdf s ALA 353 Ca 0.54 -3.54 0.05 0.00 0.00 0.00 0.00 51.96 49.01 2wdf s ALA 353 Cb -0.10 -2.85 0.72 0.00 0.00 0.00 0.00 23.12 20.88 2wdf s ALA 353 CO 0.24 -2.15 1.77 0.93 0.00 0.00 0.00 175.76 176.55 2wdf h GLU 354 N 6.65 0.71 -0.28 0.00 4.39 -1.94 -0.24 114.58 123.86 2wdf h GLU 354 Ca 0.08 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 2wdf h GLU 354 Cb 0.90 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 2wdf h GLU 354 CO 0.78 0.47 -0.07 0.38 -1.16 0.00 0.00 179.01 179.42 2wdf h ASP 355 N 0.73 0.43 -0.15 1.42 2.03 -1.99 0.35 116.42 119.24 2wdf h ASP 355 Ca 0.57 -0.09 -0.12 0.00 -0.73 0.00 0.00 57.03 56.65 2wdf h ASP 355 Cb 0.88 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.27 2wdf h ASP 355 CO -0.39 0.54 -0.39 0.58 -1.03 0.00 0.00 179.24 178.56 2wdf h VAL 356 N 0.43 1.35 -0.50 4.15 2.07 -1.49 -1.77 116.25 120.50 2wdf h VAL 356 Ca 0.09 -1.66 -0.00 0.00 0.82 0.00 0.00 66.70 65.95 2wdf h VAL 356 Cb 0.39 2.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.14 2wdf h VAL 356 CO 0.02 0.50 0.29 -0.33 0.02 0.00 0.00 177.57 178.07 2wdf h GLU 357 N 0.17 0.68 -0.70 1.57 4.39 -0.96 -1.19 114.58 118.53 2wdf h GLU 357 Ca -0.00 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.59 2wdf h GLU 357 Cb 1.00 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.48 2wdf h GLU 357 CO 0.08 0.50 0.27 0.00 -1.16 0.00 0.00 179.01 178.70 2wdf h ALA 358 N 1.14 0.91 -0.51 3.43 0.00 -0.96 -1.82 119.26 121.46 2wdf h ALA 358 Ca 0.18 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2wdf h ALA 358 Cb 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2wdf h ALA 358 CO -0.03 0.54 0.05 0.35 0.00 0.00 0.00 179.25 180.16 2wdf h PHE 359 N 1.00 0.85 -0.15 0.00 3.57 -0.85 -2.21 116.94 119.17 2wdf h PHE 359 Ca 0.23 -0.10 -0.21 0.00 3.53 0.00 0.00 57.97 61.42 2wdf h PHE 359 Cb 0.23 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.73 2wdf h PHE 359 CO 0.02 0.76 -0.74 -0.07 -2.23 0.00 0.00 178.31 176.05 2wdf h LEU 360 N 0.77 0.81 -0.96 0.59 3.38 -1.00 -0.85 115.31 118.05 2wdf h LEU 360 Ca 0.16 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 2wdf h LEU 360 Cb 0.39 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2wdf h LEU 360 CO 0.01 1.30 0.38 0.50 0.09 0.00 0.00 178.44 180.73 2wdf h LYS 361 N 0.48 1.12 -0.27 1.13 3.64 -1.19 -0.19 116.57 121.29 2wdf h LYS 361 Ca -0.04 -0.16 -0.18 0.00 -1.27 0.00 0.00 60.65 59.00 2wdf h LYS 361 Cb 1.35 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2wdf h LYS 361 CO 0.15 0.86 -0.56 0.00 -2.27 0.00 0.00 179.45 177.63 2wdf h ALA 362 N 1.30 0.49 -0.18 5.00 0.00 -1.29 0.35 119.26 124.93 2wdf h ALA 362 Ca 0.27 -0.52 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 2wdf h ALA 362 Cb 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2wdf h ALA 362 CO -0.04 0.68 -0.44 1.96 0.00 0.00 0.00 179.25 181.41 2wdf h GLN 363 N 0.64 0.43 -0.14 0.00 1.08 -0.85 -3.33 115.11 112.93 2wdf h GLN 363 Ca 0.01 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 2wdf h GLN 363 Cb 1.16 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.60 2wdf h GLN 363 CO 0.12 0.79 0.00 1.28 -0.95 0.00 0.00 178.83 180.07 2wdf n LEU 364 N -4.00 2.28 0.01 1.46 4.77 -0.11 -4.73 117.00 116.68 2wdf n LEU 364 Ca -0.02 -1.81 -0.10 0.00 -0.03 0.00 0.00 56.01 54.04 2wdf n LEU 364 Cb 0.53 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 2wdf n LEU 364 CO 0.44 0.56 0.67 0.00 -1.33 0.00 0.00 177.39 177.73 2wdf h ALA 365 N 1.04 -0.33 -0.53 -1.18 0.00 -1.04 -1.08 119.26 116.13 2wdf h ALA 365 Ca 0.00 0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.08 2wdf h ALA 365 Cb 0.55 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2wdf h ALA 365 CO 0.00 -0.77 0.38 -1.35 0.00 0.00 0.00 179.25 177.51 2wdf h PRO 366 N -0.38 0.04 -0.40 0.00 0.11 -1.85 -2.63 132.00 126.90 2wdf h PRO 366 Ca 0.09 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2wdf h PRO 366 Cb 0.52 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.62 2wdf h PRO 366 CO -0.32 0.03 0.00 0.72 -0.21 0.00 0.00 178.00 178.21 2wdf n HIS 367 N -4.39 0.53 -0.18 0.65 8.25 -0.67 -4.70 115.22 114.71 2wdf n HIS 367 Ca 0.10 -0.38 -0.03 0.00 -0.26 0.00 0.00 57.72 57.15 2wdf n HIS 367 Cb 0.58 -0.01 0.04 0.00 1.12 0.00 0.00 29.99 31.72 2wdf n HIS 367 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 2wdf h GLN 368 N 3.12 -0.06 -0.64 -0.41 4.15 -0.84 -0.11 115.11 120.31 2wdf h GLN 368 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 2wdf h GLN 368 Cb 0.81 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.49 2wdf h GLN 368 CO 0.00 -0.04 0.20 -0.44 -1.93 0.00 0.00 178.83 176.62 2wdf h ASP 369 N -0.06 0.94 0.28 -0.69 3.32 -1.84 -1.24 116.42 117.12 2wdf h ASP 369 Ca 0.26 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 2wdf h ASP 369 Cb 0.46 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2wdf h ASP 369 CO -0.60 0.90 -0.13 -0.74 -1.72 0.00 0.00 179.24 176.95 2wdf h HIS 370 N 0.93 -0.35 -0.53 4.55 2.76 -1.77 -2.86 115.15 117.88 2wdf h HIS 370 Ca 0.21 -0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.25 2wdf h HIS 370 Cb 0.30 0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.35 2wdf h HIS 370 CO 0.02 -0.06 -0.12 -0.07 -1.30 0.00 0.00 177.93 176.40 2wdf h LEU 371 N -0.61 1.02 -1.73 0.26 3.38 -0.99 -3.37 115.31 113.27 2wdf h LEU 371 Ca -0.04 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2wdf h LEU 371 Cb 0.44 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2wdf h LEU 371 CO 0.06 1.13 0.00 0.49 0.09 0.00 0.00 178.44 180.21 2wdf n PHE 372 N -4.14 0.09 -2.51 1.13 3.72 -0.48 -1.96 117.46 113.32 2wdf n PHE 372 Ca 0.01 -0.12 -0.41 0.00 -0.05 0.00 0.00 57.45 56.89 2wdf n PHE 372 Cb 0.41 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.90 2wdf n PHE 372 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2wdf s THR 373 N -0.85 3.86 0.35 4.37 2.01 -1.08 -4.96 115.64 119.35 2wdf s THR 373 Ca 0.13 1.61 -0.28 0.00 0.31 0.00 0.00 61.69 63.46 2wdf s THR 373 Cb 0.09 -4.03 -0.10 0.00 0.01 0.00 0.00 72.50 68.47 2wdf s THR 373 CO 0.12 0.28 1.34 -2.84 -0.69 0.00 0.00 174.62 172.83 2wdf s PRO 374 N -0.37 4.27 -0.26 4.92 0.02 -1.26 -4.33 135.00 137.99 2wdf s PRO 374 Ca 0.49 2.28 -0.00 0.00 0.02 0.00 0.00 61.00 63.79 2wdf s PRO 374 Cb -0.29 -3.02 -0.16 0.00 0.02 0.00 0.00 34.50 31.05 2wdf s PRO 374 CO 0.35 -0.28 -0.24 1.28 -0.33 0.00 0.00 177.00 177.77 2wdf n LEU 375 N 0.66 2.85 -3.73 -5.54 4.77 0.70 -5.00 117.00 111.71 2wdf n LEU 375 Ca 0.01 -0.08 -0.09 0.00 -0.03 0.00 0.00 56.01 55.82 2wdf n LEU 375 Cb 0.41 -0.88 -0.02 0.00 -2.33 0.00 0.00 43.42 40.60 2wdf n LEU 375 CO 0.60 0.89 0.44 0.00 -1.33 0.00 0.00 177.39 177.98 2wdf s ALA 376 N -2.51 -1.31 -0.13 -1.18 0.00 -1.21 -3.84 121.76 111.58 2wdf s ALA 376 Ca -0.35 -0.08 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 2wdf s ALA 376 Cb 0.10 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 24.06 2wdf s ALA 376 CO 0.57 -0.95 -0.08 0.08 0.00 0.00 0.00 175.76 175.38 2wdf s VAL 377 N -3.87 3.54 -0.14 0.00 1.01 -0.39 0.14 120.40 120.69 2wdf s VAL 377 Ca 0.08 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.44 2wdf s VAL 377 Cb -0.04 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 2wdf s VAL 377 CO 0.01 0.52 0.29 -0.55 0.00 0.00 0.00 175.10 175.37 2wdf s SER 378 N 0.19 6.48 0.22 3.32 0.15 -0.52 -1.39 113.70 122.15 2wdf s SER 378 Ca -0.04 0.56 0.24 0.00 0.70 0.00 0.00 55.95 57.40 2wdf s SER 378 Cb -0.14 -2.18 0.28 0.00 -1.71 0.00 0.00 66.02 62.26 2wdf s SER 378 CO 0.04 0.16 1.33 -0.33 1.20 0.00 0.00 173.24 175.64 2wdf h GLU 379 N 6.24 0.00 -5.19 5.44 5.08 -1.05 0.52 114.58 125.63 2wdf h GLU 379 Ca -0.44 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.47 2wdf h GLU 379 Cb 1.18 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.29 2wdf h GLU 379 CO 0.72 0.00 -0.61 0.95 -1.00 0.00 0.00 179.01 179.07 2wdf s THR 380 N -3.24 1.12 0.04 1.13 -4.23 -1.26 -4.01 115.64 105.19 2wdf s THR 380 Ca 0.05 -2.01 -0.30 0.00 -1.18 0.00 0.00 61.69 58.25 2wdf s THR 380 Cb 0.10 -2.75 -0.08 0.00 1.34 0.00 0.00 72.50 71.12 2wdf s THR 380 CO 0.72 -0.02 1.68 -0.22 -0.54 0.00 0.00 174.62 176.24 2wdf s LEU 381 N -3.46 4.36 -0.40 4.79 2.96 -0.30 -4.14 118.68 122.49 2wdf s LEU 381 Ca 0.36 2.45 -0.09 0.00 -0.22 0.00 0.00 54.13 56.63 2wdf s LEU 381 Cb 0.08 -3.55 0.06 0.00 0.50 0.00 0.00 46.19 43.28 2wdf s LEU 381 CO 0.15 -0.91 0.22 -0.76 -1.32 0.00 0.00 176.35 173.73 2wdf s LEU 382 N 3.14 4.92 0.24 -0.68 1.43 -0.36 -4.82 118.68 122.55 2wdf s LEU 382 Ca 0.75 -1.37 0.11 0.00 -1.03 0.00 0.00 54.13 52.60 2wdf s LEU 382 Cb -0.39 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 2wdf s LEU 382 CO 0.33 -0.47 -0.18 -0.72 0.23 0.00 0.00 176.35 175.54 2wdf s TYR 383 N 1.43 2.39 -0.11 0.29 -0.85 -1.26 -1.51 117.35 117.73 2wdf s TYR 383 Ca 0.02 -0.31 -0.03 0.00 -0.52 0.00 0.00 57.07 56.23 2wdf s TYR 383 Cb -0.22 -1.10 -0.06 0.00 0.38 0.00 0.00 41.96 40.96 2wdf s TYR 383 CO 0.03 0.61 -0.12 1.17 -1.52 0.00 0.00 175.55 175.71 2wdf n LYS 384 N -0.28 0.26 -2.25 -3.49 3.00 -1.26 -1.35 118.16 112.78 2wdf n LYS 384 Ca -0.08 0.09 -0.41 0.00 -0.00 0.00 0.00 58.31 57.90 2wdf n LYS 384 Cb 0.58 -1.05 -0.03 0.00 0.00 0.00 0.00 35.03 34.53 2wdf n LYS 384 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2wdf s ARG 385 N -2.21 4.40 0.00 1.64 0.52 -1.26 -4.67 118.95 117.36 2wdf s ARG 385 Ca -0.15 2.00 0.00 0.00 -0.52 0.00 0.00 55.73 57.06 2wdf s ARG 385 Cb 0.05 -3.23 0.00 0.00 0.52 0.00 0.00 34.95 32.30 2wdf s ARG 385 CO 0.22 -0.26 0.00 -3.47 0.02 0.00 0.00 175.30 171.81 2wdf n ASP 386 N 2.97 0.00 -0.28 0.23 2.03 -1.26 -4.00 116.55 116.24 2wdf n ASP 386 Ca 0.07 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.32 2wdf n ASP 386 Cb 0.43 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.89 2wdf n ASP 386 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2wdf h THR 387 N 1.40 1.26 0.00 5.18 2.02 -1.81 -3.41 112.91 117.56 2wdf h THR 387 Ca 0.00 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.30 2wdf h THR 387 Cb 0.00 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 2wdf h THR 387 CO 0.00 0.35 -0.81 0.18 0.37 0.00 0.00 175.52 175.62 2wdf n LEU 388 N -4.26 0.89 -3.75 2.58 4.77 -1.26 -0.68 117.00 115.30 2wdf n LEU 388 Ca 0.07 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.91 2wdf n LEU 388 Cb 0.21 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.21 2wdf n LEU 388 CO 0.41 0.15 0.05 -0.47 -1.33 0.00 0.00 177.39 176.20 2wdf s TYR 389 N -1.81 -0.28 0.06 -1.77 5.04 -1.26 -4.60 117.35 112.73 2wdf s TYR 389 Ca 0.00 0.55 -0.10 0.00 -2.44 0.00 0.00 57.07 55.07 2wdf s TYR 389 Cb 0.00 0.12 0.01 0.00 0.35 0.00 0.00 41.96 42.44 2wdf s TYR 389 CO 0.00 -0.33 0.23 -1.54 -1.34 0.00 0.00 175.55 172.56 2wdf s SER 390 N -0.81 0.01 0.21 4.32 1.04 -1.26 -4.65 113.70 112.57 2wdf s SER 390 Ca -0.09 -0.41 0.07 0.00 0.48 0.00 0.00 55.95 56.00 2wdf s SER 390 Cb -0.04 0.33 0.15 0.00 0.10 0.00 0.00 66.02 66.56 2wdf s SER 390 CO 0.03 -0.64 1.49 0.71 0.98 0.00 0.00 173.24 175.82 2wdf h THR 391 N 3.14 1.49 0.25 2.02 1.35 -1.85 -2.43 112.91 116.88 2wdf h THR 391 Ca -0.33 -2.42 -0.01 0.00 -0.55 0.00 0.00 66.41 63.10 2wdf h THR 391 Cb 1.20 2.31 0.00 0.00 -1.73 0.00 0.00 68.15 69.93 2wdf h THR 391 CO 0.50 0.70 -0.12 -0.25 -0.25 0.00 0.00 175.52 176.10 2wdf h TRP 392 N 0.06 -0.32 -0.17 4.73 2.91 -1.52 -1.19 115.95 120.47 2wdf h TRP 392 Ca -0.02 -0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.00 2wdf h TRP 392 Cb 1.31 0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 30.05 2wdf h TRP 392 CO 0.01 -0.11 0.11 -0.44 -1.03 0.00 0.00 178.44 176.98 2wdf h ASP 393 N -0.46 0.17 -0.37 2.65 3.32 -1.76 -1.21 116.42 118.77 2wdf h ASP 393 Ca -0.03 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.88 2wdf h ASP 393 Cb 0.35 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2wdf h ASP 393 CO 0.06 0.12 -0.28 -0.61 -1.72 0.00 0.00 179.24 176.81 2wdf h GLN 394 N 0.20 0.84 -0.65 3.56 4.15 -1.10 -1.73 115.11 120.39 2wdf h GLN 394 Ca 0.06 -0.41 0.08 0.00 0.77 0.00 0.00 58.65 59.15 2wdf h GLN 394 Cb 0.01 -0.00 -0.07 0.00 0.21 0.00 0.00 27.48 27.63 2wdf h GLN 394 CO -0.01 1.05 0.30 1.25 -1.93 0.00 0.00 178.83 179.49 2wdf h LEU 395 N 0.64 0.38 -0.77 -2.39 6.46 -0.09 0.78 115.31 120.32 2wdf h LEU 395 Ca 0.07 0.06 -0.03 0.00 -0.12 0.00 0.00 57.88 57.86 2wdf h LEU 395 Cb 0.86 -0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.75 2wdf h LEU 395 CO 0.07 0.23 0.37 0.58 -0.62 0.00 0.00 178.44 179.07 2wdf h VAL 396 N 0.53 1.24 -0.55 1.05 2.07 -1.04 0.16 116.25 119.72 2wdf h VAL 396 Ca 0.31 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 2wdf h VAL 396 Cb 0.32 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2wdf h VAL 396 CO -0.26 0.29 0.27 1.23 0.02 0.00 0.00 177.57 179.12 2wdf h GLY 397 N 1.09 0.84 1.25 2.17 0.00 -0.29 -1.13 103.07 106.99 2wdf h GLY 397 Ca 0.26 -0.41 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 2wdf h GLY 397 CO -0.03 0.39 0.14 0.83 0.00 0.00 0.00 176.54 177.87 2wdf h GLU 398 N 0.74 0.94 -0.51 4.80 5.08 -0.60 -1.23 114.58 123.79 2wdf h GLU 398 Ca 0.19 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 2wdf h GLU 398 Cb 0.10 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2wdf h GLU 398 CO -0.03 0.84 0.12 0.00 -1.00 0.00 0.00 179.01 178.94 2wdf h ALA 399 N 1.26 0.67 -0.30 3.43 0.00 -0.62 -1.67 119.26 122.02 2wdf h ALA 399 Ca 0.19 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2wdf h ALA 399 Cb 0.33 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2wdf h ALA 399 CO -0.00 0.37 0.00 0.28 0.00 0.00 0.00 179.25 179.90 2wdf h VAL 400 N 0.71 1.26 -0.09 0.00 2.07 -0.92 -2.63 116.25 116.64 2wdf h VAL 400 Ca 0.16 -0.94 -0.08 0.00 0.82 0.00 0.00 66.70 66.66 2wdf h VAL 400 Cb 0.34 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2wdf h VAL 400 CO 0.00 0.30 -0.30 0.11 0.02 0.00 0.00 177.57 177.71 2wdf h LYS 401 N 0.32 0.18 -0.14 1.57 1.57 -1.19 0.33 116.57 119.20 2wdf h LYS 401 Ca 0.09 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 2wdf h LYS 401 Cb 0.43 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2wdf h LYS 401 CO 0.02 0.46 -0.48 0.00 -0.57 0.00 0.00 179.45 178.88 2wdf h ALA 402 N 1.54 0.92 0.00 3.86 0.00 -1.21 -2.35 119.26 122.03 2wdf h ALA 402 Ca 0.02 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.32 2wdf h ALA 402 Cb 0.61 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2wdf h ALA 402 CO 0.04 0.65 -1.65 -0.89 0.00 0.00 0.00 179.25 177.41 2wdf n ILE 403 N -3.98 0.92 -3.36 0.00 5.41 -1.00 -4.56 119.36 112.79 2wdf n ILE 403 Ca -0.02 -0.66 -0.26 0.00 1.00 0.00 0.00 62.75 62.81 2wdf n ILE 403 Cb 0.54 -0.50 -0.08 0.00 -0.71 0.00 0.00 39.64 38.89 2wdf n ILE 403 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2wdf n TYR 404 N -2.71 1.25 0.30 1.39 4.01 0.11 -4.98 117.16 116.53 2wdf n TYR 404 Ca -0.11 -3.80 0.14 0.00 -0.16 0.00 0.00 57.90 53.96 2wdf n TYR 404 Cb 0.81 -0.37 0.73 0.00 -0.31 0.00 0.00 39.34 40.20 2wdf n TYR 404 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 2wdf h PRO 405 N 4.39 0.00 0.00 -0.72 0.11 -1.64 0.65 132.00 134.79 2wdf h PRO 405 Ca 0.15 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.22 2wdf h PRO 405 Cb 0.80 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 2wdf h PRO 405 CO 0.60 0.00 -0.16 0.93 -0.21 0.00 0.00 178.00 179.16 2wdf h GLU 406 N 0.00 0.00 -6.61 1.05 5.08 -1.94 -3.45 114.58 108.71 2wdf h GLU 406 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 2wdf h GLU 406 Cb 0.62 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.91 2wdf h GLU 406 CO 0.00 0.16 0.87 0.08 -1.00 0.00 0.00 179.01 179.12 2wdf s VAL 407 N -3.24 2.66 -0.20 3.13 1.01 0.22 -4.72 120.40 119.26 2wdf s VAL 407 Ca 0.05 0.48 0.15 0.00 0.00 0.00 0.00 61.98 62.65 2wdf s VAL 407 Cb 0.07 -3.31 -0.22 0.00 0.00 0.00 0.00 36.38 32.92 2wdf s VAL 407 CO 0.67 0.04 0.02 -0.62 0.00 0.00 0.00 175.10 175.22 2wdf n GLU 408 N 3.92 0.85 -3.87 2.72 1.02 0.06 -4.92 120.64 120.43 2wdf n GLU 408 Ca 0.13 0.01 -0.14 0.00 -0.02 0.00 0.00 57.16 57.14 2wdf n GLU 408 Cb 0.39 -1.49 -0.15 0.00 -0.02 0.00 0.00 31.44 30.17 2wdf n GLU 408 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2wdf s VAL 409 N -2.46 0.04 -0.23 2.62 -7.23 -1.12 -4.40 120.40 107.62 2wdf s VAL 409 Ca -0.13 0.08 -0.00 0.00 -1.81 0.00 0.00 61.98 60.12 2wdf s VAL 409 Cb 0.06 -0.11 0.03 0.00 0.56 0.00 0.00 36.38 36.92 2wdf s VAL 409 CO 0.75 0.07 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.81 2wdf s VAL 410 N 0.57 2.55 -0.37 1.32 1.01 0.45 -1.15 120.40 124.78 2wdf s VAL 410 Ca -0.05 -1.06 -0.19 0.00 0.00 0.00 0.00 61.98 60.68 2wdf s VAL 410 Cb -0.07 -2.25 0.00 0.00 0.00 0.00 0.00 36.38 34.05 2wdf s VAL 410 CO -0.01 0.28 0.54 -0.36 0.00 0.00 0.00 175.10 175.54 2wdf s PHE 411 N 1.29 3.16 -0.09 5.22 0.08 0.29 -0.11 117.98 127.82 2wdf s PHE 411 Ca 0.01 0.09 -0.06 0.00 0.12 0.00 0.00 56.93 57.08 2wdf s PHE 411 Cb -0.16 -3.01 -0.04 0.00 -0.57 0.00 0.00 43.02 39.24 2wdf s PHE 411 CO -0.07 -0.62 0.16 -1.12 -0.10 0.00 0.00 175.22 173.47 2wdf s SER 412 N 1.81 6.40 -0.05 1.36 0.01 0.14 -3.53 113.70 119.83 2wdf s SER 412 Ca 0.19 0.46 -0.30 0.00 1.31 0.00 0.00 55.95 57.61 2wdf s SER 412 Cb -0.15 -2.06 -0.04 0.00 0.21 0.00 0.00 66.02 63.98 2wdf s SER 412 CO 0.14 0.37 1.23 -2.16 0.41 0.00 0.00 173.24 173.24 2wdf s PRO 413 N -1.24 4.34 -0.43 12.44 0.04 -1.26 -2.14 135.00 146.75 2wdf s PRO 413 Ca 0.18 1.72 -0.06 0.00 0.04 0.00 0.00 61.00 62.88 2wdf s PRO 413 Cb -0.12 -3.57 -0.12 0.00 0.04 0.00 0.00 34.50 30.73 2wdf s PRO 413 CO 0.08 -0.48 3.19 0.00 0.04 0.00 0.00 177.00 179.83 2wdf n ALA 414 N 5.29 6.58 -1.26 8.56 0.00 -1.26 -4.91 120.51 133.50 2wdf n ALA 414 Ca 0.11 -2.58 -0.31 0.00 0.00 0.00 0.00 53.44 50.67 2wdf n ALA 414 Cb 0.46 -2.42 0.09 0.00 0.00 0.00 0.00 19.45 17.58 2wdf n ALA 414 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2wdf s VAL 415 N -0.05 3.28 -2.71 0.00 -7.23 -1.26 -3.80 120.40 108.64 2wdf s VAL 415 Ca 0.64 0.43 0.25 0.00 -1.81 0.00 0.00 61.98 61.49 2wdf s VAL 415 Cb 0.31 -2.91 0.26 0.00 0.56 0.00 0.00 36.38 34.61 2wdf s VAL 415 CO -0.08 -0.53 1.38 0.54 -0.31 0.00 0.00 175.10 176.10 2wdf n ARG 416 N -3.45 1.97 -3.33 4.82 1.74 -1.26 -4.79 116.66 112.35 2wdf n ARG 416 Ca 0.09 -1.51 -0.26 0.00 -0.77 0.00 0.00 57.85 55.41 2wdf n ARG 416 Cb 0.53 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.48 2wdf n ARG 416 CO 0.00 0.00 0.00 1.67 -1.52 0.00 0.00 177.63 177.78 2wdf s TRP 417 N -2.08 3.50 -5.00 -1.55 1.48 -1.26 -4.89 118.94 109.14 2wdf s TRP 417 Ca 0.29 0.46 0.00 0.00 -1.06 0.00 0.00 56.10 55.79 2wdf s TRP 417 Cb 0.20 -1.97 0.00 0.00 -1.16 0.00 0.00 33.47 30.54 2wdf s TRP 417 CO 0.35 0.12 0.00 0.41 -4.06 0.00 0.00 176.95 173.77 2wdf n GLY 418 N -1.54 0.02 3.22 3.67 0.00 -1.25 -4.91 105.19 104.40 2wdf n GLY 418 Ca -0.04 -1.20 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 2wdf n GLY 418 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2wdf n THR 419 N 9.00 0.00 -4.26 2.61 5.66 -1.26 -4.89 114.28 121.14 2wdf n THR 419 Ca 0.00 -1.59 -0.21 0.00 -3.05 0.00 0.00 64.05 59.20 2wdf n THR 419 Cb 0.00 1.02 -0.16 0.00 -1.55 0.00 0.00 70.33 69.64 2wdf n THR 419 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2wdf s THR 420 N -2.72 0.70 -0.20 1.09 2.01 0.93 -4.27 115.64 113.17 2wdf s THR 420 Ca 0.26 -0.21 -0.08 0.00 0.31 0.00 0.00 61.69 61.96 2wdf s THR 420 Cb -0.01 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 2wdf s THR 420 CO 0.19 0.26 0.09 -0.63 -0.69 0.00 0.00 174.62 173.84 2wdf s ILE 421 N 0.87 4.94 0.50 1.82 -1.09 -0.57 -4.19 121.20 123.48 2wdf s ILE 421 Ca -0.12 0.03 -0.12 0.00 -2.23 0.00 0.00 60.65 58.21 2wdf s ILE 421 Cb -0.15 -3.26 -0.06 0.00 -1.58 0.00 0.00 42.46 37.42 2wdf s ILE 421 CO 0.01 0.42 0.90 -0.76 -1.23 0.00 0.00 174.94 174.27 2wdf s LEU 422 N 0.64 3.61 0.36 2.97 1.43 -1.26 -1.22 118.68 125.20 2wdf s LEU 422 Ca 0.05 1.30 -0.28 0.00 -1.03 0.00 0.00 54.13 54.17 2wdf s LEU 422 Cb -0.13 -4.25 -0.11 0.00 0.03 0.00 0.00 46.19 41.73 2wdf s LEU 422 CO 0.01 -0.59 1.44 -2.65 0.23 0.00 0.00 176.35 174.80 2wdf n PRO 423 N -1.84 2.52 -0.94 1.29 -0.02 -1.26 -1.00 135.00 133.75 2wdf n PRO 423 Ca 0.04 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 2wdf n PRO 423 Cb 0.54 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2wdf n PRO 423 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdf n GLY 424 N 0.71 0.74 3.86 -1.23 0.00 0.18 -4.94 105.19 104.51 2wdf n GLY 424 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2wdf n GLY 424 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wdf s GLN 425 N -0.20 3.88 0.16 1.61 0.74 -0.17 -4.81 119.66 120.87 2wdf s GLN 425 Ca 0.00 0.36 -0.24 0.00 0.05 0.00 0.00 55.36 55.53 2wdf s GLN 425 Cb 0.00 -2.84 -0.08 0.00 1.10 0.00 0.00 33.01 31.19 2wdf s GLN 425 CO 0.00 0.44 0.75 0.00 -0.55 0.00 0.00 175.29 175.92 2wdf s ALA 426 N -1.58 3.46 -0.10 1.58 0.00 -1.26 -1.43 121.76 122.43 2wdf s ALA 426 Ca 0.40 0.30 -0.20 0.00 0.00 0.00 0.00 51.96 52.47 2wdf s ALA 426 Cb -0.13 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.04 2wdf s ALA 426 CO 0.20 0.31 0.55 0.42 0.00 0.00 0.00 175.76 177.24 2wdf s ILE 427 N -1.18 5.13 0.40 0.00 1.01 0.12 -4.94 121.20 121.73 2wdf s ILE 427 Ca 0.36 1.12 0.07 0.00 0.00 0.00 0.00 60.65 62.20 2wdf s ILE 427 Cb -0.22 -3.89 -0.08 0.00 0.01 0.00 0.00 42.46 38.28 2wdf s ILE 427 CO 0.25 0.31 -0.01 0.42 0.00 0.00 0.00 174.94 175.91 2wdf s THR 428 N 0.64 2.04 0.26 2.92 -4.23 -1.26 -0.22 115.64 115.79 2wdf s THR 428 Ca 0.30 -2.04 -0.03 0.00 -1.18 0.00 0.00 61.69 58.74 2wdf s THR 428 Cb -0.16 -2.94 0.25 0.00 1.34 0.00 0.00 72.50 70.99 2wdf s THR 428 CO 0.13 -0.04 1.87 -0.50 -0.54 0.00 0.00 174.62 175.54 2wdf h TRP 429 N 1.81 1.12 -0.83 3.99 4.06 -1.73 0.04 115.95 124.42 2wdf h TRP 429 Ca -0.44 0.03 0.09 0.00 2.06 0.00 0.00 58.89 60.64 2wdf h TRP 429 Cb 1.24 -0.37 -0.06 0.00 -1.00 0.00 0.00 29.16 28.98 2wdf h TRP 429 CO 0.74 0.57 0.54 0.22 -3.56 0.00 0.00 178.44 176.95 2wdf h ASP 430 N 1.10 0.71 -0.31 -3.49 3.58 -1.67 0.11 116.42 116.45 2wdf h ASP 430 Ca 0.41 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.82 2wdf h ASP 430 Cb 0.18 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 2wdf h ASP 430 CO -0.18 0.43 -0.05 0.45 -2.88 0.00 0.00 179.24 177.01 2wdf h HIS 431 N 0.79 0.64 -0.94 0.28 3.86 -1.32 -1.43 115.15 117.03 2wdf h HIS 431 Ca 0.38 -0.13 0.04 0.00 -1.16 0.00 0.00 60.37 59.50 2wdf h HIS 431 Cb 0.42 -0.16 -0.06 0.00 1.06 0.00 0.00 27.41 28.68 2wdf h HIS 431 CO -0.00 0.74 0.62 -0.07 0.86 0.00 0.00 177.93 180.08 2wdf h LEU 432 N 0.35 1.00 -0.71 2.43 3.38 0.32 -0.47 115.31 121.62 2wdf h LEU 432 Ca 0.08 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 2wdf h LEU 432 Cb 0.52 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2wdf h LEU 432 CO 0.03 0.68 -0.61 1.88 0.09 0.00 0.00 178.44 180.51 2wdf h TYR 433 N 1.16 0.19 -0.14 1.13 0.05 -0.76 0.15 116.97 118.74 2wdf h TYR 433 Ca 0.38 -0.07 -0.08 0.00 0.05 0.00 0.00 58.73 59.01 2wdf h TYR 433 Cb 0.05 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 2wdf h TYR 433 CO -0.00 0.71 -0.25 0.00 -1.05 0.00 0.00 178.16 177.57 2wdf h ALA 434 N 1.27 1.32 0.09 3.88 0.00 -0.05 0.27 119.26 126.03 2wdf h ALA 434 Ca -0.01 -0.30 -0.34 0.00 0.00 0.00 0.00 54.91 54.26 2wdf h ALA 434 Cb 1.09 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2wdf h ALA 434 CO 0.09 0.47 -1.90 0.66 0.00 0.00 0.00 179.25 178.57 2wdf n TYR 435 N -4.16 1.21 -1.67 0.00 4.01 -0.32 -3.80 117.16 112.44 2wdf n TYR 435 Ca -0.01 0.30 0.04 0.00 -0.16 0.00 0.00 57.90 58.08 2wdf n TYR 435 Cb 0.36 -1.18 0.06 0.00 -0.31 0.00 0.00 39.34 38.28 2wdf n TYR 435 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2wdf n THR 436 N -3.35 0.82 -0.58 -0.72 -2.24 0.51 -4.91 114.28 103.80 2wdf n THR 436 Ca -0.27 -1.09 -0.08 0.00 -2.27 0.00 0.00 64.05 60.34 2wdf n THR 436 Cb 1.05 0.22 -0.09 0.00 -2.10 0.00 0.00 70.33 69.41 2wdf n THR 436 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wdf n GLY 437 N -0.56 2.22 3.83 3.38 0.00 0.93 -4.80 105.19 110.19 2wdf n GLY 437 Ca 0.07 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 2wdf n GLY 437 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wdf s PHE 438 N 2.02 3.29 -0.81 1.61 0.08 -1.26 -3.84 117.98 119.07 2wdf s PHE 438 Ca 0.38 1.46 0.26 0.00 0.12 0.00 0.00 56.93 59.15 2wdf s PHE 438 Cb 0.17 -2.86 0.96 0.00 -0.57 0.00 0.00 43.02 40.72 2wdf s PHE 438 CO -0.00 -0.72 1.80 0.25 -0.10 0.00 0.00 175.22 176.44 2wdf n THR 439 N -2.00 0.45 -3.31 0.64 -2.24 -1.26 -3.71 114.28 102.85 2wdf n THR 439 Ca 0.07 -0.11 -0.26 0.00 -2.27 0.00 0.00 64.05 61.49 2wdf n THR 439 Cb 0.54 -0.64 -0.07 0.00 -2.10 0.00 0.00 70.33 68.05 2wdf n THR 439 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wdf n TYR 440 N -1.97 1.90 1.53 4.78 0.18 -1.26 -4.95 117.16 117.37 2wdf n TYR 440 Ca 0.06 -3.90 0.05 0.00 1.88 0.00 0.00 57.90 55.99 2wdf n TYR 440 Cb 0.37 -0.47 0.19 0.00 -0.38 0.00 0.00 39.34 39.05 2wdf n TYR 440 CO 0.00 0.00 0.00 -0.35 -2.08 0.00 0.00 176.86 174.43 2wdf n PRO 441 N 1.06 1.37 -1.67 -3.48 -0.04 -1.24 -4.37 135.00 126.62 2wdf n PRO 441 Ca 0.26 -0.57 -0.46 0.00 -0.04 0.00 0.00 63.50 62.69 2wdf n PRO 441 Cb 0.46 -1.19 -0.04 0.00 -0.04 0.00 0.00 33.50 32.69 2wdf n PRO 441 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wdf n GLU 442 N -0.10 2.12 -3.39 0.54 -0.58 -1.26 0.12 120.64 118.08 2wdf n GLU 442 Ca 0.08 0.76 -0.38 0.00 -0.42 0.00 0.00 57.16 57.21 2wdf n GLU 442 Cb 0.15 -2.51 -0.07 0.00 -0.57 0.00 0.00 31.44 28.44 2wdf n GLU 442 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2wdf s LEU 443 N 0.77 4.21 -0.03 -4.62 2.96 0.22 -4.27 118.68 117.93 2wdf s LEU 443 Ca 0.77 0.61 0.02 0.00 -0.22 0.00 0.00 54.13 55.32 2wdf s LEU 443 Cb -0.68 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.43 2wdf s LEU 443 CO 0.40 -0.02 -0.07 -0.31 -1.32 0.00 0.00 176.35 175.03 2wdf s TYR 444 N 0.93 2.92 -0.15 5.38 2.02 -0.12 -3.54 117.35 124.78 2wdf s TYR 444 Ca 0.21 -0.01 -0.00 0.00 -0.37 0.00 0.00 57.07 56.90 2wdf s TYR 444 Cb -0.14 -1.65 -0.01 0.00 -0.40 0.00 0.00 41.96 39.76 2wdf s TYR 444 CO 0.08 0.36 -0.14 -0.51 -1.57 0.00 0.00 175.55 173.77 2wdf s LEU 445 N -1.16 2.57 0.12 -1.29 1.02 -1.26 -1.26 118.68 117.42 2wdf s LEU 445 Ca 0.15 -0.43 -0.24 0.00 0.02 0.00 0.00 54.13 53.63 2wdf s LEU 445 Cb -0.11 -1.59 0.07 0.00 0.02 0.00 0.00 46.19 44.58 2wdf s LEU 445 CO 0.05 0.09 0.61 0.72 0.02 0.00 0.00 176.35 177.84 2wdf s PHE 446 N 0.76 -0.55 0.09 0.29 -0.12 -0.27 -1.05 117.98 117.14 2wdf s PHE 446 Ca -0.06 0.46 -0.21 0.00 -0.05 0.00 0.00 56.93 57.07 2wdf s PHE 446 Cb -0.15 0.53 -0.07 0.00 -0.63 0.00 0.00 43.02 42.70 2wdf s PHE 446 CO 0.01 -0.81 0.62 0.71 -0.05 0.00 0.00 175.22 175.71 2wdf s TYR 447 N -3.32 3.83 0.01 3.49 2.02 0.12 0.29 117.35 123.80 2wdf s TYR 447 Ca -0.01 1.37 0.05 0.00 -0.37 0.00 0.00 57.07 58.10 2wdf s TYR 447 Cb -0.01 -2.57 -0.02 0.00 -0.40 0.00 0.00 41.96 38.96 2wdf s TYR 447 CO -0.09 0.56 -0.15 -0.51 -1.57 0.00 0.00 175.55 173.80 2wdf s LEU 448 N -1.09 2.10 0.51 -1.29 1.43 -0.35 -1.46 118.68 118.54 2wdf s LEU 448 Ca 0.31 -0.36 -0.18 0.00 -1.03 0.00 0.00 54.13 52.87 2wdf s LEU 448 Cb -0.20 -0.69 -0.07 0.00 0.03 0.00 0.00 46.19 45.25 2wdf s LEU 448 CO 0.21 0.11 1.01 -0.13 0.23 0.00 0.00 176.35 177.79 2wdf s ARG 449 N -0.73 3.79 0.40 1.70 0.52 -1.26 -0.85 118.95 122.52 2wdf s ARG 449 Ca 0.04 1.16 0.15 0.00 -0.52 0.00 0.00 55.73 56.55 2wdf s ARG 449 Cb -0.07 -2.10 1.00 0.00 0.52 0.00 0.00 34.95 34.30 2wdf s ARG 449 CO 0.00 -0.42 1.87 0.78 0.02 0.00 0.00 175.30 177.56 2wdf h GLY 450 N 1.13 0.94 1.92 -3.53 0.00 -0.90 -0.04 103.07 102.59 2wdf h GLY 450 Ca -0.48 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 46.57 2wdf h GLY 450 CO 0.60 0.03 -0.27 0.00 0.00 0.00 0.00 176.54 176.90 2wdf h ALA 451 N 1.62 1.46 -0.12 3.60 0.00 -1.53 -2.43 119.26 121.86 2wdf h ALA 451 Ca 0.44 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 2wdf h ALA 451 Cb 0.97 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2wdf h ALA 451 CO -0.18 0.39 -0.55 1.96 0.00 0.00 0.00 179.25 180.87 2wdf h GLN 452 N 0.09 0.35 0.28 0.00 4.20 -1.30 -2.15 115.11 116.59 2wdf h GLN 452 Ca 0.01 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 2wdf h GLN 452 Cb 0.52 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.33 2wdf h GLN 452 CO 0.04 0.81 -0.14 0.82 -0.67 0.00 0.00 178.83 179.69 2wdf h ILE 453 N 0.27 0.75 -0.27 2.54 2.04 -1.21 -0.43 117.51 121.19 2wdf h ILE 453 Ca 0.00 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.70 2wdf h ILE 453 Cb 1.06 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 2wdf h ILE 453 CO 0.09 0.04 0.08 0.50 0.00 0.00 0.00 178.15 178.86 2wdf h LYS 454 N -0.49 0.18 -0.96 2.37 1.63 -1.53 -2.46 116.57 115.31 2wdf h LYS 454 Ca -0.04 -0.01 0.09 0.00 -0.85 0.00 0.00 60.65 59.84 2wdf h LYS 454 Cb 0.36 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 31.88 2wdf h LYS 454 CO 0.06 0.12 0.60 0.00 -3.45 0.00 0.00 179.45 176.79 2wdf h ALA 455 N 1.18 1.39 -0.16 5.00 0.00 -1.26 0.43 119.26 125.84 2wdf h ALA 455 Ca 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2wdf h ALA 455 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2wdf h ALA 455 CO -0.14 0.28 0.04 0.28 0.00 0.00 0.00 179.25 179.71 2wdf h VAL 456 N 1.02 1.19 -0.49 0.00 2.07 -0.70 -0.07 116.25 119.27 2wdf h VAL 456 Ca 0.45 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 2wdf h VAL 456 Cb 0.33 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 2wdf h VAL 456 CO -0.22 0.18 0.22 -0.07 0.02 0.00 0.00 177.57 177.70 2wdf h LEU 457 N 0.07 0.65 -0.99 2.57 3.38 -0.98 -0.67 115.31 119.34 2wdf h LEU 457 Ca 0.05 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 2wdf h LEU 457 Cb 0.24 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2wdf h LEU 457 CO -0.00 0.61 0.19 -0.33 0.09 0.00 0.00 178.44 179.01 2wdf h GLU 458 N 0.65 0.92 -0.11 1.13 4.39 -0.86 0.12 114.58 120.82 2wdf h GLU 458 Ca 0.17 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2wdf h GLU 458 Cb 0.15 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2wdf h GLU 458 CO -0.02 0.79 0.05 0.22 -1.16 0.00 0.00 179.01 178.89 2wdf h ASP 459 N 0.89 0.15 -0.60 1.42 -0.00 -0.65 -0.27 116.42 117.36 2wdf h ASP 459 Ca 0.20 -0.15 -0.05 0.00 -0.00 0.00 0.00 57.03 57.04 2wdf h ASP 459 Cb 0.26 -0.04 -0.03 0.00 -0.00 0.00 0.00 39.33 39.52 2wdf h ASP 459 CO -0.01 0.25 0.19 0.40 -0.00 0.00 0.00 179.24 180.08 2wdf h ILE 460 N 0.03 1.24 -0.74 2.25 2.04 -0.86 -2.82 117.51 118.65 2wdf h ILE 460 Ca 0.04 -0.82 0.04 0.00 1.00 0.00 0.00 64.86 65.12 2wdf h ILE 460 Cb 0.15 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 2wdf h ILE 460 CO -0.00 0.31 0.46 0.00 0.00 0.00 0.00 178.15 178.91 2wdf h ALA 461 N 1.06 0.98 0.00 1.87 0.00 -0.56 0.12 119.26 122.73 2wdf h ALA 461 Ca 0.19 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 2wdf h ALA 461 Cb 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2wdf h ALA 461 CO -0.01 0.23 -0.22 0.66 0.00 0.00 0.00 179.25 179.91 2wdf h SER 462 N 0.88 0.00 0.02 0.00 4.64 -0.87 0.19 113.55 118.42 2wdf h SER 462 Ca 0.31 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.59 2wdf h SER 462 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2wdf h SER 462 CO -0.13 0.22 -0.16 -1.13 -0.87 0.00 0.00 176.83 174.76 2wdf h ASN 463 N 0.00 0.08 -0.51 4.97 -0.73 -1.05 -3.14 115.58 115.20 2wdf h ASN 463 Ca -0.00 -0.98 -0.09 0.00 1.87 0.00 0.00 56.30 57.09 2wdf h ASN 463 Cb 0.50 -0.03 -0.02 0.00 0.27 0.00 0.00 38.32 39.04 2wdf h ASN 463 CO 0.03 1.07 -0.04 0.58 -0.37 0.00 0.00 177.43 178.71 2wdf h VAL 464 N -0.90 1.26 -0.66 2.57 2.07 -0.93 -3.17 116.25 116.50 2wdf h VAL 464 Ca -0.03 -1.15 -0.13 0.00 0.82 0.00 0.00 66.70 66.21 2wdf h VAL 464 Cb 1.11 0.88 -0.08 0.00 -1.52 0.00 0.00 31.29 31.69 2wdf h VAL 464 CO 0.02 0.41 0.16 0.49 0.02 0.00 0.00 177.57 178.67 2wdf n PHE 465 N -4.18 2.26 -1.72 1.57 3.72 0.05 -4.89 117.46 114.26 2wdf n PHE 465 Ca 0.02 -0.98 -0.43 0.00 -0.05 0.00 0.00 57.45 56.02 2wdf n PHE 465 Cb 0.35 -0.61 -0.02 0.00 -0.94 0.00 0.00 39.48 38.26 2wdf n PHE 465 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2wdf n THR 466 N 0.17 0.73 0.38 4.37 -1.04 -1.19 -4.63 114.28 113.08 2wdf n THR 466 Ca 0.35 -0.18 0.13 0.00 -2.04 0.00 0.00 64.05 62.30 2wdf n THR 466 Cb 1.29 -1.87 0.35 0.00 -1.82 0.00 0.00 70.33 68.28 2wdf n THR 466 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2wdf h SER 467 N 5.19 0.00 -3.55 8.00 0.02 -1.92 -3.43 113.55 117.85 2wdf h SER 467 Ca -0.46 0.00 -0.70 0.00 -0.84 0.00 0.00 61.79 59.79 2wdf h SER 467 Cb 1.23 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.57 2wdf h SER 467 CO 0.83 0.00 -0.38 -0.62 -1.14 0.00 0.00 176.83 175.52 2wdf s ASP 468 N -5.39 6.13 0.59 3.07 -1.08 -1.26 -4.83 116.67 113.89 2wdf s ASP 468 Ca 0.07 -0.72 0.28 0.00 -0.52 0.00 0.00 52.55 51.66 2wdf s ASP 468 Cb 0.08 -2.17 1.60 0.00 -1.46 0.00 0.00 42.92 40.97 2wdf s ASP 468 CO 0.60 -0.44 2.05 -0.65 0.52 0.00 0.00 175.17 177.26 2wdf h PRO 469 N 8.62 0.00 0.00 4.34 0.11 -1.88 -0.09 132.00 143.10 2wdf h PRO 469 Ca -0.28 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 2wdf h PRO 469 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2wdf h PRO 469 CO 0.73 0.00 -0.18 0.35 -0.21 0.00 0.00 178.00 178.69 2wdf h PHE 470 N 0.00 0.00 0.00 0.65 3.57 -1.91 -2.82 116.94 116.44 2wdf h PHE 470 Ca 0.12 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2wdf h PHE 470 Cb 0.64 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.38 2wdf h PHE 470 CO 0.00 0.18 -0.90 0.66 -2.23 0.00 0.00 178.31 176.01 2wdf n TYR 471 N -3.53 0.00 -1.70 0.41 4.01 -0.05 -4.94 117.16 111.36 2wdf n TYR 471 Ca -0.01 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.30 2wdf n TYR 471 Cb 0.33 -0.06 -0.02 0.00 -0.31 0.00 0.00 39.34 39.28 2wdf n TYR 471 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2wdf n GLN 472 N -1.51 2.28 0.00 -0.72 1.13 -1.07 -4.92 117.38 112.57 2wdf n GLN 472 Ca 0.04 0.81 0.06 0.00 -1.94 0.00 0.00 57.00 55.97 2wdf n GLN 472 Cb 0.33 -2.51 -0.04 0.00 0.11 0.00 0.00 30.24 28.14 2wdf n GLN 472 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2wdf n GLN 473 N 2.00 2.56 -1.46 -1.09 6.02 -1.26 -4.67 117.38 119.48 2wdf n GLN 473 Ca 0.10 -0.33 -0.01 0.00 -0.01 0.00 0.00 57.00 56.75 2wdf n GLN 473 Cb 0.34 -1.10 -0.00 0.00 1.02 0.00 0.00 30.24 30.49 2wdf n GLN 473 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wdf n GLY 474 N 1.14 0.42 3.92 1.08 0.00 -1.26 -4.97 105.19 105.51 2wdf n GLY 474 Ca 0.04 -0.94 -0.25 0.00 0.00 0.00 0.00 46.02 44.86 2wdf n GLY 474 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wdf s GLY 475 N -2.96 2.28 0.36 -0.02 0.00 -1.26 -4.80 107.32 100.92 2wdf s GLY 475 Ca 0.00 -1.40 0.01 0.00 0.00 0.00 0.00 44.72 43.33 2wdf s GLY 475 CO 0.00 -1.90 0.06 1.22 0.00 0.00 0.00 173.10 172.48 2wdf n ASP 476 N -1.82 2.83 -4.68 1.64 8.00 -1.25 -4.87 116.55 116.41 2wdf n ASP 476 Ca 0.01 -2.51 -0.39 0.00 0.71 0.00 0.00 54.79 52.61 2wdf n ASP 476 Cb 0.64 0.19 -0.07 0.00 -0.02 0.00 0.00 41.12 41.86 2wdf n ASP 476 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wdf s VAL 477 N -2.20 5.13 0.29 2.53 1.01 0.15 -4.80 120.40 122.51 2wdf s VAL 477 Ca 0.04 0.95 -0.28 0.00 0.00 0.00 0.00 61.98 62.69 2wdf s VAL 477 Cb -0.00 -3.83 -0.14 0.00 0.00 0.00 0.00 36.38 32.40 2wdf s VAL 477 CO 0.03 0.22 1.00 -0.24 0.00 0.00 0.00 175.10 176.11 2wdf n SER 478 N 4.46 1.23 -4.64 3.32 2.88 -1.26 -4.59 113.62 115.02 2wdf n SER 478 Ca -0.05 1.18 -0.39 0.00 -1.33 0.00 0.00 58.87 58.27 2wdf n SER 478 Cb 0.51 -1.28 -0.08 0.00 -0.75 0.00 0.00 64.21 62.61 2wdf n SER 478 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2wdf s ARG 479 N -1.54 4.13 -0.50 -1.46 3.00 -0.91 -4.88 118.95 116.78 2wdf s ARG 479 Ca 0.59 0.26 -0.06 0.00 0.00 0.00 0.00 55.73 56.52 2wdf s ARG 479 Cb -0.71 -3.59 0.13 0.00 0.00 0.00 0.00 34.95 30.78 2wdf s ARG 479 CO 0.60 -0.19 0.34 0.08 0.00 0.00 0.00 175.30 176.13 2wdf s VAL 480 N 1.78 3.85 -0.02 3.52 1.01 -1.25 0.24 120.40 129.52 2wdf s VAL 480 Ca 0.20 -2.18 -0.30 0.00 0.00 0.00 0.00 61.98 59.70 2wdf s VAL 480 Cb -0.15 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2wdf s VAL 480 CO 0.09 -0.78 1.19 0.12 0.00 0.00 0.00 175.10 175.71 2wdf s PHE 481 N 0.90 3.28 0.00 5.22 5.36 0.84 -3.03 117.98 130.55 2wdf s PHE 481 Ca 0.10 1.26 0.00 0.00 -0.96 0.00 0.00 56.93 57.33 2wdf s PHE 481 Cb -0.23 -3.41 0.00 0.00 -0.34 0.00 0.00 43.02 39.05 2wdf s PHE 481 CO -0.03 -1.24 0.00 0.41 -1.46 0.00 0.00 175.22 172.90 2wdf n GLY 482 N 3.30 1.10 3.26 13.12 0.00 -1.26 -0.41 105.19 124.31 2wdf n GLY 482 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 2wdf n GLY 482 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2wdf s LEU 483 N 0.00 2.13 0.06 0.99 0.05 -1.17 -1.93 118.68 118.81 2wdf s LEU 483 Ca 0.00 -1.18 0.01 0.00 0.05 0.00 0.00 54.13 53.01 2wdf s LEU 483 Cb 0.00 -0.11 -0.03 0.00 -2.05 0.00 0.00 46.19 44.00 2wdf s LEU 483 CO 0.00 -0.55 -0.06 -0.13 -0.55 0.00 0.00 176.35 175.06 2wdf s ARG 484 N -3.90 0.62 0.22 1.48 0.52 -0.23 -4.82 118.95 112.83 2wdf s ARG 484 Ca 0.25 -0.99 -0.23 0.00 -0.52 0.00 0.00 55.73 54.24 2wdf s ARG 484 Cb 0.06 -0.16 0.05 0.00 0.52 0.00 0.00 34.95 35.41 2wdf s ARG 484 CO 0.05 -0.00 0.87 1.52 0.02 0.00 0.00 175.30 177.76 2wdf s TYR 485 N -2.44 -0.12 -0.10 -0.53 -0.85 -0.42 -1.28 117.35 111.62 2wdf s TYR 485 Ca -0.01 -0.28 0.01 0.00 -0.52 0.00 0.00 57.07 56.27 2wdf s TYR 485 Cb -0.03 0.69 -0.02 0.00 0.38 0.00 0.00 41.96 42.98 2wdf s TYR 485 CO -0.03 -1.04 -0.13 0.08 -1.52 0.00 0.00 175.55 172.91 2wdf s VAL 486 N -3.35 3.13 -0.07 -3.49 1.01 -0.36 -1.29 120.40 115.97 2wdf s VAL 486 Ca 0.13 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.49 2wdf s VAL 486 Cb -0.03 -2.28 -0.00 0.00 0.00 0.00 0.00 36.38 34.06 2wdf s VAL 486 CO 0.05 0.55 -0.21 -0.22 0.00 0.00 0.00 175.10 175.27 2wdf s LEU 487 N -0.09 1.98 -0.43 3.92 2.96 0.13 -1.48 118.68 125.67 2wdf s LEU 487 Ca -0.02 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 53.47 2wdf s LEU 487 Cb -0.14 -1.21 0.12 0.00 0.50 0.00 0.00 46.19 45.46 2wdf s LEU 487 CO 0.04 0.16 0.17 -0.62 -1.32 0.00 0.00 176.35 174.77 2wdf s ASP 488 N 0.19 4.41 0.59 3.68 -1.08 0.31 -0.27 116.67 124.49 2wdf s ASP 488 Ca -0.11 -2.57 0.29 0.00 -0.52 0.00 0.00 52.55 49.64 2wdf s ASP 488 Cb -0.15 -1.53 1.55 0.00 -1.46 0.00 0.00 42.92 41.32 2wdf s ASP 488 CO 0.05 -0.30 1.98 1.55 0.52 0.00 0.00 175.17 178.97 2wdf h PRO 489 N 7.04 0.00 -0.01 4.34 0.13 -1.83 -1.46 132.00 140.21 2wdf h PRO 489 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2wdf h PRO 489 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2wdf h PRO 489 CO 0.59 0.00 -0.42 -0.25 -0.23 0.00 0.00 178.00 177.70 2wdf n ASP 490 N -3.76 1.82 -4.75 1.44 8.00 -1.26 -4.77 116.55 113.27 2wdf n ASP 490 Ca 0.06 -1.39 -0.30 0.00 0.71 0.00 0.00 54.79 53.87 2wdf n ASP 490 Cb 0.53 0.39 0.11 0.00 -0.02 0.00 0.00 41.12 42.13 2wdf n ASP 490 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wdf s ALA 491 N -2.47 1.98 0.70 2.24 0.00 -0.55 -5.01 121.76 118.64 2wdf s ALA 491 Ca 0.20 0.10 -0.12 0.00 0.00 0.00 0.00 51.96 52.14 2wdf s ALA 491 Cb 0.18 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 20.09 2wdf s ALA 491 CO 0.55 -1.99 1.08 -2.14 0.00 0.00 0.00 175.76 173.27 2wdf s PRO 492 N -4.93 2.75 0.23 0.00 0.02 -1.26 -4.65 135.00 127.15 2wdf s PRO 492 Ca 0.62 1.16 -0.32 0.00 0.02 0.00 0.00 61.00 62.48 2wdf s PRO 492 Cb -0.17 -1.96 -0.13 0.00 0.02 0.00 0.00 34.50 32.26 2wdf s PRO 492 CO 0.56 -1.26 1.49 2.41 -0.33 0.00 0.00 177.00 179.87 2wdf n THR 493 N -2.92 0.71 0.00 0.99 -1.04 -1.26 -0.05 114.28 110.71 2wdf n THR 493 Ca 0.09 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 2wdf n THR 493 Cb 0.53 -1.60 0.00 0.00 -1.82 0.00 0.00 70.33 67.44 2wdf n THR 493 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wdf n GLY 494 N 2.52 1.51 0.00 3.41 0.00 -1.26 -4.83 105.19 106.53 2wdf n GLY 494 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2wdf n GLY 494 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wdf n GLU 495 N -2.00 1.28 0.11 1.61 1.02 0.93 -4.76 120.64 118.83 2wdf n GLU 495 Ca 0.00 -1.00 -0.03 0.00 -0.02 0.00 0.00 57.16 56.11 2wdf n GLU 495 Cb 0.00 -0.92 0.05 0.00 -0.02 0.00 0.00 31.44 30.54 2wdf n GLU 495 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wdf h ARG 496 N 0.00 0.00 -5.06 3.49 3.08 -1.75 -3.44 114.38 110.70 2wdf h ARG 496 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 2wdf h ARG 496 Cb 0.39 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 30.18 2wdf h ARG 496 CO 0.00 0.74 -0.70 0.08 -1.07 0.00 0.00 179.97 179.02 2wdf s VAL 497 N -3.15 3.57 0.21 2.04 1.01 -1.26 -0.53 120.40 122.28 2wdf s VAL 497 Ca 0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 61.98 61.53 2wdf s VAL 497 Cb 0.11 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 2wdf s VAL 497 CO 0.78 0.43 0.16 0.00 0.00 0.00 0.00 175.10 176.47 2wdf s ARG 498 N 1.24 1.23 -1.49 2.72 1.70 -0.55 -4.91 118.95 118.89 2wdf s ARG 498 Ca 0.03 -1.60 -0.11 0.00 -0.47 0.00 0.00 55.73 53.57 2wdf s ARG 498 Cb -0.14 0.29 0.07 0.00 -0.57 0.00 0.00 34.95 34.59 2wdf s ARG 498 CO -0.01 -0.41 0.94 0.39 -1.08 0.00 0.00 175.30 175.13 2wdf n GLU 499 N -0.28 -5.48 -2.27 3.89 -0.58 -1.26 -1.23 120.64 113.42 2wdf n GLU 499 Ca 0.02 0.61 -0.41 0.00 -0.42 0.00 0.00 57.16 56.95 2wdf n GLU 499 Cb 0.66 -5.44 -0.03 0.00 -0.57 0.00 0.00 31.44 26.06 2wdf n GLU 499 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2wdf s VAL 500 N -3.37 3.38 -0.03 2.62 1.01 -1.26 -4.37 120.40 118.37 2wdf s VAL 500 Ca 0.54 1.11 0.02 0.00 0.00 0.00 0.00 61.98 63.65 2wdf s VAL 500 Cb -0.27 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.41 2wdf s VAL 500 CO 0.83 0.16 -0.06 -1.61 0.00 0.00 0.00 175.10 174.42 2wdf s GLU 501 N 0.04 0.74 -0.18 2.72 2.02 -0.40 -1.02 118.70 122.62 2wdf s GLU 501 Ca 0.56 -0.17 0.01 0.00 0.02 0.00 0.00 54.97 55.39 2wdf s GLU 501 Cb -0.35 -0.73 0.01 0.00 0.10 0.00 0.00 34.13 33.16 2wdf s GLU 501 CO 0.36 0.02 -0.18 0.08 0.02 0.00 0.00 175.26 175.56 2wdf s VAL 502 N 0.48 2.25 -1.36 2.63 1.01 -0.25 -1.07 120.40 124.08 2wdf s VAL 502 Ca -0.06 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 60.96 2wdf s VAL 502 Cb -0.10 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.34 2wdf s VAL 502 CO 0.00 0.53 1.04 0.61 0.00 0.00 0.00 175.10 177.27 2wdf n GLY 503 N 4.53 -0.50 2.22 4.51 0.00 -0.81 -2.48 105.19 112.66 2wdf n GLY 503 Ca -0.20 0.21 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2wdf n GLY 503 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdf n GLY 504 N -1.88 0.44 3.14 -0.02 0.00 -1.26 -5.02 105.19 100.59 2wdf n GLY 504 Ca -0.02 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 2wdf n GLY 504 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdf s ARG 505 N -0.78 0.75 0.39 1.61 0.52 -1.04 -5.12 118.95 115.29 2wdf s ARG 505 Ca 0.00 -0.87 -0.25 0.00 -0.52 0.00 0.00 55.73 54.09 2wdf s ARG 505 Cb 0.00 -0.70 -0.11 0.00 0.52 0.00 0.00 34.95 34.65 2wdf s ARG 505 CO 0.00 0.16 0.99 -2.30 0.02 0.00 0.00 175.30 174.16 2wdf n PRO 506 N 1.43 1.33 -1.89 3.54 -0.02 -1.26 -1.09 135.00 137.04 2wdf n PRO 506 Ca -0.21 0.47 -0.41 0.00 -2.02 0.00 0.00 63.50 61.33 2wdf n PRO 506 Cb 0.54 -1.97 -0.02 0.00 -0.02 0.00 0.00 33.50 32.04 2wdf n PRO 506 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2wdf s LEU 507 N -0.17 4.36 -0.36 2.45 2.96 -0.19 -4.65 118.68 123.08 2wdf s LEU 507 Ca 0.62 2.85 -0.04 0.00 -0.22 0.00 0.00 54.13 57.33 2wdf s LEU 507 Cb -0.59 -3.64 0.07 0.00 0.50 0.00 0.00 46.19 42.53 2wdf s LEU 507 CO 0.58 -0.81 0.13 -0.62 -1.32 0.00 0.00 176.35 174.31 2wdf s ASP 508 N 0.29 5.22 0.61 3.68 2.15 -1.26 -4.99 116.67 122.37 2wdf s ASP 508 Ca 0.59 -1.52 0.29 0.00 0.43 0.00 0.00 52.55 52.34 2wdf s ASP 508 Cb -0.45 -1.83 1.49 0.00 -0.30 0.00 0.00 42.92 41.83 2wdf s ASP 508 CO 0.49 -0.41 1.89 -0.65 -0.17 0.00 0.00 175.17 176.32 2wdf h PRO 509 N 8.13 0.00 -0.00 4.34 0.11 -1.94 -1.52 132.00 141.12 2wdf h PRO 509 Ca -0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2wdf h PRO 509 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2wdf h PRO 509 CO 0.64 0.00 -0.73 0.09 -0.21 0.00 0.00 178.00 177.78 2wdf n ASN 510 N -3.48 1.20 -4.78 -2.05 5.03 -1.26 -1.61 115.26 108.31 2wdf n ASN 510 Ca 0.05 -1.10 -0.37 0.00 0.87 0.00 0.00 54.58 54.04 2wdf n ASN 510 Cb 0.60 0.83 -0.06 0.00 -1.02 0.00 0.00 39.78 40.13 2wdf n ASN 510 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 2wdf s ARG 511 N -2.60 4.48 -0.32 3.52 3.52 -0.57 -4.78 118.95 122.21 2wdf s ARG 511 Ca 0.10 1.39 -0.16 0.00 -0.13 0.00 0.00 55.73 56.92 2wdf s ARG 511 Cb 0.15 -2.74 -0.02 0.00 -1.56 0.00 0.00 34.95 30.78 2wdf s ARG 511 CO 0.68 0.17 0.42 1.03 -0.81 0.00 0.00 175.30 176.80 2wdf s ARG 512 N -2.16 3.76 -0.10 5.12 0.52 -1.26 -0.83 118.95 124.00 2wdf s ARG 512 Ca 0.52 -0.14 -0.04 0.00 -0.52 0.00 0.00 55.73 55.55 2wdf s ARG 512 Cb -0.20 -3.75 -0.04 0.00 0.52 0.00 0.00 34.95 31.49 2wdf s ARG 512 CO 0.25 -0.47 0.04 0.71 0.02 0.00 0.00 175.30 175.85 2wdf s TYR 513 N 2.17 3.27 -0.18 -0.53 2.02 -0.03 -4.92 117.35 119.15 2wdf s TYR 513 Ca 0.16 0.26 -0.27 0.00 -0.37 0.00 0.00 57.07 56.84 2wdf s TYR 513 Cb -0.16 -1.85 -0.01 0.00 -0.40 0.00 0.00 41.96 39.54 2wdf s TYR 513 CO 0.11 0.50 0.92 -1.17 -1.57 0.00 0.00 175.55 174.35 2wdf s LEU 514 N -0.79 4.16 0.32 -1.29 2.96 -1.26 -1.21 118.68 121.57 2wdf s LEU 514 Ca 0.12 1.29 0.09 0.00 -0.22 0.00 0.00 54.13 55.41 2wdf s LEU 514 Cb -0.12 -3.38 -0.05 0.00 0.50 0.00 0.00 46.19 43.15 2wdf s LEU 514 CO 0.03 -0.50 0.05 0.00 -1.32 0.00 0.00 176.35 174.61 2wdf s ALA 515 N 2.48 3.30 0.01 5.97 0.00 0.15 -0.76 121.76 132.90 2wdf s ALA 515 Ca 0.41 -1.84 0.02 0.00 0.00 0.00 0.00 51.96 50.55 2wdf s ALA 515 Cb -0.16 -0.59 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 2wdf s ALA 515 CO 0.11 0.10 -0.07 0.00 0.00 0.00 0.00 175.76 175.90 2wdf s ALA 516 N -2.44 0.59 -0.19 0.00 0.00 -0.30 -1.12 121.76 118.30 2wdf s ALA 516 Ca 0.35 -0.42 -0.23 0.00 0.00 0.00 0.00 51.96 51.66 2wdf s ALA 516 Cb -0.02 -0.10 0.06 0.00 0.00 0.00 0.00 23.12 23.05 2wdf s ALA 516 CO 0.21 0.11 0.63 0.00 0.00 0.00 0.00 175.76 176.70 2wdf s ALA 517 N -0.45 -1.57 0.06 0.00 0.00 -0.39 -0.55 121.76 118.86 2wdf s ALA 517 Ca -0.00 1.64 0.00 0.00 0.00 0.00 0.00 51.96 53.60 2wdf s ALA 517 Cb -0.04 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 2wdf s ALA 517 CO 0.00 -0.31 -0.05 1.52 0.00 0.00 0.00 175.76 176.92 2wdf s TYR 518 N -0.01 0.63 -0.48 0.00 -0.85 -1.23 -0.94 117.35 114.46 2wdf s TYR 518 Ca -0.03 -0.91 0.00 0.00 -0.52 0.00 0.00 57.07 55.61 2wdf s TYR 518 Cb -0.04 -0.41 0.00 0.00 0.38 0.00 0.00 41.96 41.89 2wdf s TYR 518 CO 0.03 -0.26 0.00 0.41 -1.52 0.00 0.00 175.55 174.21 2wdf n GLY 519 N 0.33 0.69 0.00 5.49 0.00 -1.26 -3.98 105.19 106.45 2wdf n GLY 519 Ca -0.15 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2wdf n GLY 519 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdf n GLY 520 N -1.64 5.00 0.00 -0.02 0.00 -1.26 -4.92 105.19 102.34 2wdf n GLY 520 Ca -0.05 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.84 2wdf n GLY 520 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdf n ARG 521 N 0.00 -0.16 -0.27 1.61 1.74 -1.26 -4.81 116.66 113.50 2wdf n ARG 521 Ca 0.00 -0.51 0.21 0.00 -0.77 0.00 0.00 57.85 56.78 2wdf n ARG 521 Cb 0.00 -0.85 0.53 0.00 -1.02 0.00 0.00 32.46 31.12 2wdf n ARG 521 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2wdf h LEU 522 N 0.00 0.39 -2.48 0.55 5.85 -1.98 -0.58 115.31 117.07 2wdf h LEU 522 Ca 0.00 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2wdf h LEU 522 Cb 0.25 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 2wdf h LEU 522 CO 0.00 0.13 -0.00 0.06 -0.34 0.00 0.00 178.44 178.29 2wdf h GLN 523 N 0.37 0.00 -0.22 1.25 -0.00 -1.93 -2.19 115.11 112.40 2wdf h GLN 523 Ca 0.51 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 59.19 2wdf h GLN 523 Cb 1.33 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.80 2wdf h GLN 523 CO -0.20 0.00 0.15 0.00 -0.00 0.00 0.00 178.83 178.78 2wdf h ARG 524 N 0.00 0.15 -0.71 0.06 3.08 -1.48 -1.37 114.38 114.11 2wdf h ARG 524 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2wdf h ARG 524 Cb 0.01 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2wdf h ARG 524 CO 0.00 0.10 0.00 1.33 -1.07 0.00 0.00 179.97 180.33 2wdf n VAL 525 N -4.50 0.94 -3.62 2.04 0.24 -0.82 -4.98 118.33 107.63 2wdf n VAL 525 Ca 0.01 -0.96 -0.21 0.00 -2.04 0.00 0.00 64.34 61.14 2wdf n VAL 525 Cb 0.18 0.53 -0.03 0.00 -1.47 0.00 0.00 33.84 33.05 2wdf n VAL 525 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2wdf s GLY 526 N -1.04 2.16 -0.47 7.63 0.00 -0.52 -4.96 107.32 110.13 2wdf s GLY 526 Ca 0.48 -1.86 -0.12 0.00 0.00 0.00 0.00 44.72 43.22 2wdf s GLY 526 CO 0.33 -1.73 0.37 -0.54 0.00 0.00 0.00 173.10 171.53 2wdf s GLU 527 N -4.14 2.76 0.24 2.90 2.02 -0.53 -4.85 118.70 117.10 2wdf s GLU 527 Ca 0.47 -1.55 -0.29 0.00 0.02 0.00 0.00 54.97 53.62 2wdf s GLU 527 Cb -0.03 -4.02 -0.15 0.00 0.10 0.00 0.00 34.13 30.03 2wdf s GLU 527 CO 0.27 -1.11 0.89 0.00 0.02 0.00 0.00 175.26 175.33 2wdf n ALA 528 N 5.07 -1.12 -2.18 5.21 0.00 -1.26 0.14 120.51 126.36 2wdf n ALA 528 Ca -0.11 0.42 -0.43 0.00 0.00 0.00 0.00 53.44 53.32 2wdf n ALA 528 Cb 0.42 -1.90 -0.02 0.00 0.00 0.00 0.00 19.45 17.95 2wdf n ALA 528 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2wdf s LYS 529 N -1.21 3.95 0.42 0.00 2.20 -0.21 -4.78 119.74 120.12 2wdf s LYS 529 Ca 0.63 1.71 -0.26 0.00 -0.36 0.00 0.00 55.97 57.69 2wdf s LYS 529 Cb -0.80 -3.97 -0.09 0.00 -1.51 0.00 0.00 37.83 31.47 2wdf s LYS 529 CO 0.58 -1.10 1.42 -1.25 -0.36 0.00 0.00 175.35 174.64 2wdf s PRO 530 N 4.31 3.85 0.00 4.03 0.04 -1.26 -2.21 135.00 143.77 2wdf s PRO 530 Ca 0.67 2.41 0.00 0.00 0.04 0.00 0.00 61.00 64.12 2wdf s PRO 530 Cb -0.25 -2.76 0.00 0.00 0.04 0.00 0.00 34.50 31.53 2wdf s PRO 530 CO 0.26 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 177.03 2wdf n GLY 531 N 0.57 1.76 3.74 0.56 0.00 -1.26 -5.03 105.19 105.53 2wdf n GLY 531 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 2wdf n GLY 531 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2wdf s TYR 532 N -2.56 3.45 -0.28 1.61 5.04 -0.94 -5.07 117.35 118.61 2wdf s TYR 532 Ca 0.00 0.52 -0.08 0.00 -2.44 0.00 0.00 57.07 55.07 2wdf s TYR 532 Cb 0.00 -2.27 -0.01 0.00 0.35 0.00 0.00 41.96 40.03 2wdf s TYR 532 CO 0.00 0.28 0.10 -2.00 -1.34 0.00 0.00 175.55 172.59 2wdf s GLU 533 N 0.35 3.39 0.27 4.97 2.12 -1.26 -4.91 118.70 123.64 2wdf s GLU 533 Ca 0.14 -0.66 -0.30 0.00 0.36 0.00 0.00 54.97 54.51 2wdf s GLU 533 Cb -0.12 -3.41 -0.13 0.00 0.26 0.00 0.00 34.13 30.73 2wdf s GLU 533 CO 0.02 -0.33 1.35 -2.30 -0.54 0.00 0.00 175.26 173.46 2wdf n PRO 534 N 4.92 2.01 -4.02 4.30 -0.02 -1.26 -5.00 135.00 135.94 2wdf n PRO 534 Ca -0.15 0.71 -0.08 0.00 -2.02 0.00 0.00 63.50 61.96 2wdf n PRO 534 Cb 0.50 -2.33 -0.10 0.00 -0.02 0.00 0.00 33.50 31.54 2wdf n PRO 534 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 2wdf s ARG 535 N -0.86 0.51 0.06 -0.52 1.70 -1.23 -4.88 118.95 113.72 2wdf s ARG 535 Ca 0.64 -0.92 -0.35 0.00 -0.47 0.00 0.00 55.73 54.63 2wdf s ARG 535 Cb -0.63 0.18 -0.14 0.00 -0.57 0.00 0.00 34.95 33.79 2wdf s ARG 535 CO 0.54 -0.10 1.58 -2.30 -1.08 0.00 0.00 175.30 173.94 2wdf n PRO 536 N 0.73 1.79 -0.32 3.89 -0.02 -1.26 -0.61 135.00 139.19 2wdf n PRO 536 Ca -0.18 0.65 0.20 0.00 -2.02 0.00 0.00 63.50 62.14 2wdf n PRO 536 Cb 0.59 -2.39 0.45 0.00 -0.02 0.00 0.00 33.50 32.13 2wdf n PRO 536 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 2wdf h ILE 537 N 4.01 0.58 0.00 4.25 6.09 -0.62 -0.91 117.51 130.91 2wdf h ILE 537 Ca -0.46 -0.17 -0.04 0.00 -1.37 0.00 0.00 64.86 62.82 2wdf h ILE 537 Cb 1.29 0.04 -0.01 0.00 0.47 0.00 0.00 36.82 38.61 2wdf h ILE 537 CO 0.88 0.09 -0.18 0.10 -3.07 0.00 0.00 178.15 175.97 2wdf h TYR 538 N 0.50 0.00 -0.26 2.19 -0.00 -1.87 -1.14 116.97 116.39 2wdf h TYR 538 Ca 0.58 0.00 -0.18 0.00 0.00 0.00 0.00 58.73 59.14 2wdf h TYR 538 Cb 1.30 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.03 2wdf h TYR 538 CO -0.00 0.18 -0.54 0.93 -0.00 0.00 0.00 178.16 178.73 2wdf h GLU 539 N 0.00 0.76 -0.57 0.10 4.39 -1.53 -0.40 114.58 117.33 2wdf h GLU 539 Ca -0.00 -0.48 -0.06 0.00 0.34 0.00 0.00 59.36 59.16 2wdf h GLU 539 Cb 0.36 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 2wdf h GLU 539 CO 0.02 1.10 0.13 0.28 -1.16 0.00 0.00 179.01 179.38 2wdf h VAL 540 N 0.59 1.25 -0.22 3.13 2.07 -1.35 -1.08 116.25 120.63 2wdf h VAL 540 Ca 0.01 -0.91 -0.06 0.00 0.82 0.00 0.00 66.70 66.56 2wdf h VAL 540 Cb 1.13 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 2wdf h VAL 540 CO 0.11 0.34 -0.09 -0.07 0.02 0.00 0.00 177.57 177.88 2wdf h LEU 541 N 0.82 0.47 -0.79 2.57 3.38 -1.09 -1.84 115.31 118.84 2wdf h LEU 541 Ca 0.18 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 2wdf h LEU 541 Cb 0.36 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 2wdf h LEU 541 CO 0.00 0.76 0.34 0.00 0.09 0.00 0.00 178.44 179.64 2wdf h ALA 542 N 0.72 1.02 -0.25 1.53 0.00 -1.00 0.18 119.26 121.46 2wdf h ALA 542 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2wdf h ALA 542 Cb 0.58 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2wdf h ALA 542 CO 0.03 0.62 0.16 0.93 0.00 0.00 0.00 179.25 180.99 2wdf h GLU 543 N 1.13 0.34 0.19 0.00 5.08 -1.13 -0.94 114.58 119.24 2wdf h GLU 543 Ca 0.27 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2wdf h GLU 543 Cb 0.18 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2wdf h GLU 543 CO -0.03 0.24 -0.09 -0.92 -1.00 0.00 0.00 179.01 177.22 2wdf h TYR 544 N 0.33 -0.23 -0.22 4.33 3.20 -1.03 -3.02 116.97 120.33 2wdf h TYR 544 Ca 0.09 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.98 2wdf h TYR 544 Cb -0.02 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 2wdf h TYR 544 CO -0.05 -0.02 0.08 -0.07 -1.64 0.00 0.00 178.16 176.45 2wdf h LEU 545 N -0.40 0.09 -1.06 2.82 3.38 -0.86 -1.94 115.31 117.34 2wdf h LEU 545 Ca -0.03 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.08 2wdf h LEU 545 Cb 0.31 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.99 2wdf h LEU 545 CO 0.04 0.08 0.62 0.03 0.09 0.00 0.00 178.44 179.31 2wdf h ARG 546 N 0.18 0.95 0.03 1.13 3.08 -1.23 -0.28 114.38 118.24 2wdf h ARG 546 Ca 0.09 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 2wdf h ARG 546 Cb 0.06 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.89 2wdf h ARG 546 CO -0.09 0.63 -0.01 1.03 -1.07 0.00 0.00 179.97 180.45 2wdf h SER 547 N 0.97 -0.03 1.15 7.04 0.87 -1.28 -3.29 113.55 118.97 2wdf h SER 547 Ca 0.48 -0.37 -0.12 0.00 -1.23 0.00 0.00 61.79 60.54 2wdf h SER 547 Cb 0.47 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 2wdf h SER 547 CO -0.24 0.36 -0.56 -0.37 -0.53 0.00 0.00 176.83 175.49 2wdf h VAL 548 N -0.43 1.07 0.00 2.23 -1.51 -1.21 -3.47 116.25 112.92 2wdf h VAL 548 Ca -0.00 -2.23 0.00 0.00 -1.23 0.00 0.00 66.70 63.24 2wdf h VAL 548 Cb 0.41 2.33 0.00 0.00 -2.13 0.00 0.00 31.29 31.90 2wdf h VAL 548 CO 0.01 0.55 0.00 0.61 -1.23 0.00 0.00 177.57 177.51 2wdf n GLY 549 N 0.88 0.82 2.94 5.19 0.00 -0.13 -4.83 105.19 110.06 2wdf n GLY 549 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2wdf n GLY 549 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdf s ARG 550 N 0.00 0.21 0.11 1.61 0.52 -1.26 -1.27 118.95 118.87 2wdf s ARG 550 Ca 0.00 -0.39 0.06 0.00 -0.52 0.00 0.00 55.73 54.88 2wdf s ARG 550 Cb 0.00 0.04 -0.04 0.00 0.52 0.00 0.00 34.95 35.48 2wdf s ARG 550 CO 0.00 -0.02 -0.14 0.14 0.02 0.00 0.00 175.30 175.29 2wdf s VAL 551 N -0.91 1.28 -0.45 3.52 -7.23 -0.48 -4.94 120.40 111.19 2wdf s VAL 551 Ca -0.10 -1.61 0.07 0.00 -1.81 0.00 0.00 61.98 58.53 2wdf s VAL 551 Cb -0.06 -1.42 0.23 0.00 0.56 0.00 0.00 36.38 35.69 2wdf s VAL 551 CO -0.01 -0.36 0.66 -1.14 -0.31 0.00 0.00 175.10 173.94 2wdf n ARG 552 N 0.73 0.64 -2.73 4.82 0.63 -1.26 -0.41 116.66 119.09 2wdf n ARG 552 Ca -0.17 -2.52 -0.42 0.00 -0.92 0.00 0.00 57.85 53.81 2wdf n ARG 552 Cb 0.56 -1.40 -0.03 0.00 0.45 0.00 0.00 32.46 32.04 2wdf n ARG 552 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2wdf s VAL 553 N -0.07 4.77 -0.06 5.15 1.01 -1.26 -4.97 120.40 124.97 2wdf s VAL 553 Ca 0.33 1.93 -0.03 0.00 0.00 0.00 0.00 61.98 64.21 2wdf s VAL 553 Cb 0.15 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 2wdf s VAL 553 CO -0.16 -0.06 0.10 0.00 0.00 0.00 0.00 175.10 174.97 2wdf s ARG 554 N 2.53 3.22 -0.14 2.72 1.70 -1.26 -4.78 118.95 122.94 2wdf s ARG 554 Ca 0.44 -0.33 -0.29 0.00 -0.47 0.00 0.00 55.73 55.08 2wdf s ARG 554 Cb -0.17 -2.99 -0.05 0.00 -0.57 0.00 0.00 34.95 31.18 2wdf s ARG 554 CO 0.12 0.71 1.74 -1.25 -1.08 0.00 0.00 175.30 175.54 2wdf s PRO 555 N -1.36 3.88 -0.48 3.89 0.04 -1.26 -4.90 135.00 134.81 2wdf s PRO 555 Ca 0.19 1.98 0.05 0.00 0.04 0.00 0.00 61.00 63.26 2wdf s PRO 555 Cb -0.12 -4.08 0.18 0.00 0.04 0.00 0.00 34.50 30.53 2wdf s PRO 555 CO 0.09 -1.21 0.41 0.39 0.04 0.00 0.00 177.00 176.72 2wdf n GLU 556 N 7.62 0.67 -1.65 4.56 1.02 -1.26 -5.11 120.64 126.48 2wdf n GLU 556 Ca 0.20 -3.50 -0.45 0.00 -0.02 0.00 0.00 57.16 53.38 2wdf n GLU 556 Cb 0.44 -1.76 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 2wdf n GLU 556 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2wdf n PRO 557 N 2.40 1.88 -0.77 3.49 -0.04 -1.26 -4.87 135.00 135.83 2wdf n PRO 557 Ca 0.27 0.67 0.08 0.00 -0.04 0.00 0.00 63.50 64.48 2wdf n PRO 557 Cb 0.46 -2.30 0.38 0.00 -0.04 0.00 0.00 33.50 32.00 2wdf n PRO 557 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2wdf n ASN 558 N 2.16 5.28 -4.12 3.54 6.94 -1.26 -4.92 115.26 122.88 2wdf n ASN 558 Ca 0.12 -2.69 -0.20 0.00 -0.02 0.00 0.00 54.58 51.79 2wdf n ASN 558 Cb 0.30 -0.64 -0.14 0.00 -2.36 0.00 0.00 39.78 36.95 2wdf n ASN 558 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2wdf s VAL 559 N -2.32 1.03 -0.17 3.53 1.01 -1.26 -1.30 120.40 120.93 2wdf s VAL 559 Ca 0.53 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.66 2wdf s VAL 559 Cb 0.37 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.84 2wdf s VAL 559 CO 0.20 0.07 -0.16 -0.54 0.00 0.00 0.00 175.10 174.67 2wdf s LYS 560 N -0.90 3.15 -0.31 2.72 1.02 -0.42 -4.98 119.74 120.03 2wdf s LYS 560 Ca 0.02 -0.76 -0.12 0.00 0.02 0.00 0.00 55.97 55.13 2wdf s LYS 560 Cb -0.07 -2.65 -0.03 0.00 -0.52 0.00 0.00 37.83 34.55 2wdf s LYS 560 CO 0.01 -0.09 0.21 0.08 -0.92 0.00 0.00 175.35 174.64 2wdf s VAL 561 N 1.07 5.27 0.10 3.17 1.01 -1.26 0.22 120.40 129.98 2wdf s VAL 561 Ca -0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 2wdf s VAL 561 Cb -0.14 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 2wdf s VAL 561 CO -0.05 0.12 1.17 -0.63 0.00 0.00 0.00 175.10 175.71 2wdf s ILE 562 N 1.74 3.98 0.00 2.22 -1.09 0.62 -3.32 121.20 125.36 2wdf s ILE 562 Ca 0.06 1.50 0.00 0.00 -2.23 0.00 0.00 60.65 59.99 2wdf s ILE 562 Cb -0.17 -3.96 0.00 0.00 -1.58 0.00 0.00 42.46 36.75 2wdf s ILE 562 CO 0.11 0.16 0.00 0.61 -1.23 0.00 0.00 174.94 174.59 2wdf n GLY 563 N 2.84 0.67 3.09 6.18 0.00 -1.26 -4.53 105.19 112.17 2wdf n GLY 563 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 2wdf n GLY 563 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wdf s ARG 564 N -0.05 0.59 -0.48 1.61 1.81 -1.21 -5.11 118.95 116.12 2wdf s ARG 564 Ca 0.00 -0.87 -0.21 0.00 -1.72 0.00 0.00 55.73 52.93 2wdf s ARG 564 Cb 0.00 -0.30 0.04 0.00 -0.45 0.00 0.00 34.95 34.24 2wdf s ARG 564 CO 0.00 0.04 0.69 -0.80 -0.68 0.00 0.00 175.30 174.55 2wdf s ASN 565 N -1.86 6.30 -0.25 0.23 0.01 -1.26 -4.74 114.94 113.37 2wdf s ASN 565 Ca -0.06 -0.52 -0.29 0.00 -0.71 0.00 0.00 52.86 51.28 2wdf s ASN 565 Cb -0.07 -2.33 0.01 0.00 0.41 0.00 0.00 41.25 39.27 2wdf s ASN 565 CO -0.00 -0.89 1.11 -0.47 -1.51 0.00 0.00 177.10 175.33 2wdf s TYR 566 N 2.95 3.15 0.13 2.20 5.04 -1.26 -5.02 117.35 124.54 2wdf s TYR 566 Ca 0.22 1.27 -0.02 0.00 -2.44 0.00 0.00 57.07 56.10 2wdf s TYR 566 Cb -0.15 -3.47 -0.05 0.00 0.35 0.00 0.00 41.96 38.64 2wdf s TYR 566 CO 0.17 -0.86 0.31 1.03 -1.34 0.00 0.00 175.55 174.86 2wdf s ARG 567 N 3.45 3.52 0.11 4.97 1.81 -1.26 -5.12 118.95 126.42 2wdf s ARG 567 Ca 0.47 -0.31 0.06 0.00 -1.72 0.00 0.00 55.73 54.23 2wdf s ARG 567 Cb -0.15 -2.92 -0.04 0.00 -0.45 0.00 0.00 34.95 31.39 2wdf s ARG 567 CO 0.11 0.51 -0.16 -0.51 -0.68 0.00 0.00 175.30 174.57 2wdf s LEU 568 N -2.80 2.35 0.77 2.53 1.43 -1.26 -4.66 118.68 117.04 2wdf s LEU 568 Ca 0.38 -0.74 -0.05 0.00 -1.03 0.00 0.00 54.13 52.69 2wdf s LEU 568 Cb -0.12 -0.62 0.13 0.00 0.03 0.00 0.00 46.19 45.61 2wdf s LEU 568 CO 0.27 -0.08 1.06 -2.16 0.23 0.00 0.00 176.35 175.67 2wdf s PRO 569 N -2.30 1.53 -0.24 1.29 0.04 -1.26 -5.04 135.00 129.01 2wdf s PRO 569 Ca 0.06 -0.84 -0.19 0.00 0.04 0.00 0.00 61.00 60.07 2wdf s PRO 569 Cb -0.07 -2.21 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 2wdf s PRO 569 CO 0.03 -1.62 0.58 -2.00 0.04 0.00 0.00 177.00 174.03 2wdf s GLU 570 N -5.31 4.12 0.00 4.56 2.56 -1.26 -4.95 118.70 118.41 2wdf s GLU 570 Ca 0.67 0.46 0.23 0.00 0.00 0.00 0.00 54.97 56.33 2wdf s GLU 570 Cb -0.06 -3.63 0.50 0.00 2.00 0.00 0.00 34.13 32.94 2wdf s GLU 570 CO 0.46 -0.34 1.43 1.33 -0.56 0.00 0.00 175.26 177.58 2wdf n VAL 571 N 5.05 0.38 -4.47 3.70 0.24 -1.26 -4.66 118.33 117.31 2wdf n VAL 571 Ca -0.02 -0.62 -0.28 0.00 -2.04 0.00 0.00 64.34 61.38 2wdf n VAL 571 Cb 0.49 0.86 -0.09 0.00 -1.47 0.00 0.00 33.84 33.63 2wdf n VAL 571 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2wdf s THR 572 N -1.62 1.91 0.00 3.34 -4.23 -1.26 -1.15 115.64 112.63 2wdf s THR 572 Ca 0.36 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 2wdf s THR 572 Cb 0.21 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 71.25 2wdf s THR 572 CO 0.30 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.99