#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wku h TRP 43 N 0.00 0.66 -0.47 0.00 5.08 -2.00 -2.97 115.95 116.26 1wku h TRP 43 Ca 0.00 -0.13 -0.10 0.00 1.08 0.00 0.00 58.89 59.74 1wku h TRP 43 Cb 0.00 -0.17 -0.01 0.00 -3.00 0.00 0.00 29.16 25.98 1wku h TRP 43 CO 0.00 0.76 -0.09 1.49 -1.28 0.00 0.00 178.44 179.32 1wku h GLU 44 N 0.53 0.89 -0.33 0.12 4.81 -2.04 -1.35 114.58 117.21 1wku h GLU 44 Ca 0.08 -0.33 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 1wku h GLU 44 Cb 0.64 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1wku h GLU 44 CO 0.05 0.97 0.16 -0.22 -0.73 0.00 0.00 179.01 179.23 1wku h LYS 45 N 0.73 0.47 -0.25 1.92 3.64 -1.98 0.46 116.57 121.56 1wku h LYS 45 Ca 0.12 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1wku h LYS 45 Cb 0.63 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1wku h LYS 45 CO 0.04 0.43 0.03 1.96 -2.27 0.00 0.00 179.45 179.64 1wku h GLN 46 N 0.39 0.42 -0.58 1.90 4.20 -1.48 -2.14 115.11 117.82 1wku h GLN 46 Ca 0.11 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 1wku h GLN 46 Cb 0.12 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 1wku h GLN 46 CO -0.01 0.56 0.10 1.96 -0.67 0.00 0.00 178.83 180.77 1wku h GLN 47 N 0.22 0.93 -0.15 1.46 4.20 -1.17 -0.90 115.11 119.71 1wku h GLN 47 Ca 0.07 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 1wku h GLN 47 Cb 0.36 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1wku h GLN 47 CO 0.01 0.86 0.09 -0.09 -0.67 0.00 0.00 178.83 179.02 1wku h ARG 48 N 0.88 0.20 0.23 1.46 2.43 -0.76 0.15 114.38 118.97 1wku h ARG 48 Ca 0.18 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1wku h ARG 48 Cb 0.38 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1wku h ARG 48 CO 0.01 0.19 -0.11 -0.22 -1.51 0.00 0.00 179.97 178.32 1wku h LYS 49 N 0.16 -0.29 -0.25 0.20 3.64 -1.21 -2.09 116.57 116.73 1wku h LYS 49 Ca 0.05 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1wku h LYS 49 Cb 0.04 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1wku h LYS 49 CO -0.01 -0.06 0.02 1.15 -2.27 0.00 0.00 179.45 178.28 1wku h THR 50 N -0.49 1.25 -0.47 1.00 2.02 -1.13 -1.72 112.91 113.37 1wku h THR 50 Ca -0.03 -0.85 -0.06 0.00 0.77 0.00 0.00 66.41 66.23 1wku h THR 50 Cb 0.37 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 1wku h THR 50 CO 0.05 0.27 0.03 -0.26 0.37 0.00 0.00 175.52 175.98 1wku h PHE 51 N 0.22 0.79 -0.31 3.16 0.05 -0.78 -0.39 116.94 119.68 1wku h PHE 51 Ca 0.07 -0.10 -0.04 0.00 3.82 0.00 0.00 57.97 61.72 1wku h PHE 51 Cb 0.38 -0.22 -0.01 0.00 2.00 0.00 0.00 35.95 38.10 1wku h PHE 51 CO 0.03 0.73 0.02 1.15 -0.18 0.00 0.00 178.31 180.06 1wku h THR 52 N 0.71 1.25 -0.65 -1.55 2.02 -1.27 -1.44 112.91 111.98 1wku h THR 52 Ca 0.15 -0.88 -0.05 0.00 0.77 0.00 0.00 66.41 66.39 1wku h THR 52 Cb 0.40 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1wku h THR 52 CO 0.01 0.29 0.19 0.00 0.37 0.00 0.00 175.52 176.38 1wku h ALA 53 N 0.86 1.10 -0.19 6.16 0.00 -1.01 -1.01 119.26 125.17 1wku h ALA 53 Ca 0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1wku h ALA 53 Cb 0.39 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1wku h ALA 53 CO 0.01 0.61 0.05 2.35 0.00 0.00 0.00 179.25 182.27 1wku h TRP 54 N 0.97 0.31 -0.70 0.00 7.01 -0.92 -0.62 115.95 122.00 1wku h TRP 54 Ca 0.21 -0.04 0.04 0.00 2.11 0.00 0.00 58.89 61.22 1wku h TRP 54 Cb 0.30 -0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.22 1wku h TRP 54 CO 0.02 0.42 0.42 0.00 -2.79 0.00 0.00 178.44 176.51 1wku h ASN 56 N 0.80 0.00 0.61 0.00 -0.26 -0.91 0.33 115.58 116.16 1wku h ASN 56 Ca 0.30 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 56.02 1wku h ASN 56 Cb 0.10 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.36 1wku h ASN 56 CO -0.14 0.26 -0.07 0.77 -1.06 0.00 0.00 177.43 177.19 1wku h SER 57 N 0.00 0.00 0.01 5.81 4.64 -0.11 -2.28 113.55 121.63 1wku h SER 57 Ca -0.00 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.92 1wku h SER 57 Cb 0.48 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.51 1wku h SER 57 CO 0.03 0.07 -2.40 1.41 -0.87 0.00 0.00 176.83 175.07 1wku n HIS 58 N -3.30 0.17 0.26 4.77 8.25 -0.83 -4.43 115.22 120.12 1wku n HIS 58 Ca -0.01 0.04 0.11 0.00 -0.26 0.00 0.00 57.72 57.60 1wku n HIS 58 Cb 0.26 -1.02 0.72 0.00 1.12 0.00 0.00 29.99 31.07 1wku n HIS 58 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1wku h LEU 59 N -0.25 0.00 -2.22 2.41 3.38 -0.86 -1.67 115.31 116.09 1wku h LEU 59 Ca -0.58 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.39 1wku h LEU 59 Cb 1.83 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.58 1wku h LEU 59 CO -0.15 0.00 0.02 0.08 0.09 0.00 0.00 178.44 178.48 1wku h ARG 60 N 0.00 0.00 0.00 1.13 0.11 -1.26 0.15 114.38 114.52 1wku h ARG 60 Ca 0.01 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.06 1wku h ARG 60 Cb 0.05 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.12 1wku h ARG 60 CO -0.00 0.00 -0.14 0.87 0.10 0.00 0.00 179.97 180.80 1wku h LYS 61 N 0.00 0.00 -0.65 0.08 1.79 -1.55 -2.05 116.57 114.19 1wku h LYS 61 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1wku h LYS 61 Cb 0.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1wku h LYS 61 CO -0.00 0.14 0.00 0.00 -1.08 0.00 0.00 179.45 178.51 1wku n ALA 62 N -2.23 2.77 -2.36 3.86 0.00 0.51 -4.96 120.51 118.10 1wku n ALA 62 Ca -0.01 -1.49 -0.10 0.00 0.00 0.00 0.00 53.44 51.84 1wku n ALA 62 Cb 0.31 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.84 1wku n ALA 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wku n GLY 63 N 1.22 0.02 3.67 0.00 0.00 -0.77 -5.03 105.19 104.30 1wku n GLY 63 Ca 0.24 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 1wku n GLY 63 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wku s THR 64 N -2.63 0.00 0.19 2.61 -1.32 -1.07 -5.02 115.64 108.40 1wku s THR 64 Ca 0.06 -1.28 -0.10 0.00 -1.21 0.00 0.00 61.69 59.15 1wku s THR 64 Cb -0.03 -2.27 -0.00 0.00 -1.51 0.00 0.00 72.50 68.69 1wku s THR 64 CO 0.07 0.00 0.35 -1.10 -2.21 0.00 0.00 174.62 171.73 1wku s GLN 65 N -3.70 1.29 0.33 7.08 -1.52 -1.26 -2.84 119.66 119.04 1wku s GLN 65 Ca 0.20 -1.18 0.09 0.00 -1.95 0.00 0.00 55.36 52.52 1wku s GLN 65 Cb -0.02 0.41 -0.06 0.00 -0.22 0.00 0.00 33.01 33.11 1wku s GLN 65 CO 0.10 -0.50 -0.10 0.96 -0.25 0.00 0.00 175.29 175.50 1wku s ILE 66 N -3.98 2.19 0.00 1.08 -4.36 -1.26 -5.07 121.20 109.80 1wku s ILE 66 Ca 0.19 -2.21 0.00 0.00 -0.26 0.00 0.00 60.65 58.37 1wku s ILE 66 Cb 0.02 -2.60 0.00 0.00 1.25 0.00 0.00 42.46 41.13 1wku s ILE 66 CO 0.03 -0.22 0.00 1.21 0.24 0.00 0.00 174.94 176.19 1wku n GLU 67 N -0.76 0.00 -3.93 0.37 2.13 -1.26 -4.97 120.64 112.22 1wku n GLU 67 Ca -0.05 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.44 1wku n GLU 67 Cb 0.63 -0.51 -0.14 0.00 0.27 0.00 0.00 31.44 31.69 1wku n GLU 67 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1wku s ASN 68 N -4.52 4.92 0.57 4.31 0.01 -1.26 -4.99 114.94 113.99 1wku s ASN 68 Ca 0.00 -1.96 0.27 0.00 -0.71 0.00 0.00 52.86 50.46 1wku s ASN 68 Cb 0.00 -1.70 1.58 0.00 0.41 0.00 0.00 41.25 41.54 1wku s ASN 68 CO 0.00 -0.41 2.11 -0.29 -1.51 0.00 0.00 177.10 177.00 1wku h ILE 69 N 6.52 0.58 -0.01 0.60 2.10 -1.93 0.15 117.51 125.53 1wku h ILE 69 Ca -0.10 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.84 1wku h ILE 69 Cb 1.04 0.86 0.00 0.00 -1.09 0.00 0.00 36.82 37.63 1wku h ILE 69 CO 0.58 0.00 -0.02 -1.84 -1.08 0.00 0.00 178.15 175.79 1wku n GLU 70 N -3.99 1.25 0.00 2.19 0.28 -1.26 -4.21 120.64 114.91 1wku n GLU 70 Ca 0.02 -0.49 0.00 0.00 -0.16 0.00 0.00 57.16 56.53 1wku n GLU 70 Cb 0.31 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.69 1wku n GLU 70 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1wku n GLU 71 N -0.45 0.00 0.00 3.44 -0.58 -0.23 -4.67 120.64 118.16 1wku n GLU 71 Ca 0.20 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 57.03 1wku n GLU 71 Cb 0.25 -0.79 0.55 0.00 -0.57 0.00 0.00 31.44 30.87 1wku n GLU 71 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1wku n ASP 72 N -2.46 0.00 -0.22 1.62 8.00 0.37 -2.40 116.55 121.45 1wku n ASP 72 Ca 0.00 -0.46 0.03 0.00 0.71 0.00 0.00 54.79 55.07 1wku n ASP 72 Cb 0.41 -0.06 0.02 0.00 -0.02 0.00 0.00 41.12 41.47 1wku n ASP 72 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1wku n PHE 73 N -1.06 0.00 -0.22 1.24 0.99 -1.26 -4.61 117.46 112.54 1wku n PHE 73 Ca 0.13 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.65 1wku n PHE 73 Cb 0.08 0.00 0.35 0.00 -1.00 0.00 0.00 39.48 38.91 1wku n PHE 73 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1wku h ARG 74 N 1.10 0.75 -0.01 -1.08 3.08 -1.68 -0.33 114.38 116.20 1wku h ARG 74 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1wku h ARG 74 Cb 0.25 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1wku h ARG 74 CO 0.00 0.50 -0.05 0.27 -1.07 0.00 0.00 179.97 179.62 1wku n ASN 75 N -4.50 0.79 0.00 7.04 0.23 -1.26 -4.33 115.26 113.23 1wku n ASN 75 Ca 0.12 -1.07 0.00 0.00 -0.53 0.00 0.00 54.58 53.11 1wku n ASN 75 Cb 0.28 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.97 1wku n ASN 75 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1wku n GLY 76 N 1.17 2.26 0.09 4.83 0.00 -0.14 -4.60 105.19 108.80 1wku n GLY 76 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 1wku n GLY 76 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wku h LEU 77 N 0.00 -0.11 -0.33 0.99 3.38 -1.90 -1.39 115.31 115.94 1wku h LEU 77 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1wku h LEU 77 Cb 0.00 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1wku h LEU 77 CO 0.00 0.03 0.00 0.11 0.09 0.00 0.00 178.44 178.67 1wku h LYS 78 N -0.24 0.00 -0.07 1.13 1.57 -1.91 -1.95 116.57 115.10 1wku h LYS 78 Ca -0.01 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.63 1wku h LYS 78 Cb 0.20 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.52 1wku h LYS 78 CO 0.02 0.00 -0.50 1.25 -0.57 0.00 0.00 179.45 179.65 1wku h LEU 79 N 0.00 0.56 -0.65 2.94 5.85 -1.82 -0.34 115.31 121.86 1wku h LEU 79 Ca 0.00 -0.67 -0.05 0.00 0.84 0.00 0.00 57.88 58.00 1wku h LEU 79 Cb 0.67 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1wku h LEU 79 CO 0.00 1.15 0.20 0.24 -0.34 0.00 0.00 178.44 179.69 1wku h MET 80 N 0.02 1.00 -0.52 1.25 2.86 -1.10 -2.09 114.93 116.36 1wku h MET 80 Ca -0.04 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.36 1wku h MET 80 Cb 1.16 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.65 1wku h MET 80 CO 0.10 0.88 0.24 1.25 1.06 0.00 0.00 176.91 180.44 1wku h LEU 81 N 0.93 0.69 -0.47 1.22 5.85 -1.32 -1.80 115.31 120.41 1wku h LEU 81 Ca 0.21 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.84 1wku h LEU 81 Cb 0.30 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 1wku h LEU 81 CO -0.01 0.63 0.20 0.25 -0.34 0.00 0.00 178.44 179.18 1wku h LEU 82 N 0.69 0.26 -1.12 2.25 5.85 -0.76 -0.93 115.31 121.55 1wku h LEU 82 Ca 0.18 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 1wku h LEU 82 Cb 0.14 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 1wku h LEU 82 CO -0.02 0.19 0.05 -0.07 -0.34 0.00 0.00 178.44 178.25 1wku h LEU 83 N 0.41 0.63 -0.40 2.25 3.38 -1.10 -1.80 115.31 118.67 1wku h LEU 83 Ca 0.21 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 1wku h LEU 83 Cb 0.17 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1wku h LEU 83 CO -0.18 0.67 -0.10 -0.33 0.09 0.00 0.00 178.44 178.58 1wku h GLU 84 N 0.64 0.77 -0.08 1.13 5.08 -0.54 -1.87 114.58 119.72 1wku h GLU 84 Ca 0.14 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1wku h GLU 84 Cb 0.33 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1wku h GLU 84 CO 0.01 0.91 0.04 0.28 -1.00 0.00 0.00 179.01 179.24 1wku h VAL 85 N 0.58 1.10 0.00 3.13 2.07 -0.86 0.65 116.25 122.92 1wku h VAL 85 Ca 0.10 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 1wku h VAL 85 Cb 0.62 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1wku h VAL 85 CO 0.04 0.08 -0.25 0.16 0.02 0.00 0.00 177.57 177.63 1wku h ILE 86 N 0.02 0.50 0.00 4.57 3.07 -1.36 -3.29 117.51 121.02 1wku h ILE 86 Ca 0.03 -1.37 -0.18 0.00 1.55 0.00 0.00 64.86 64.89 1wku h ILE 86 Cb 0.10 1.98 -0.03 0.00 -0.27 0.00 0.00 36.82 38.60 1wku h ILE 86 CO -0.00 0.24 -1.88 -1.54 -1.05 0.00 0.00 178.15 173.92 1wku n SER 87 N -3.26 0.33 -0.08 2.16 3.41 -0.70 -4.97 113.62 110.51 1wku n SER 87 Ca 0.01 0.14 -0.01 0.00 -0.26 0.00 0.00 58.87 58.76 1wku n SER 87 Cb 0.53 0.98 -0.00 0.00 -0.26 0.00 0.00 64.21 65.45 1wku n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wku n GLY 88 N 1.46 0.48 3.69 5.00 0.00 0.21 -5.01 105.19 111.03 1wku n GLY 88 Ca -0.15 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 1wku n GLY 88 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wku s GLU 89 N -0.90 2.31 -0.20 1.61 2.02 -1.23 -5.06 118.70 117.25 1wku s GLU 89 Ca 0.00 -1.54 -0.12 0.00 0.02 0.00 0.00 54.97 53.33 1wku s GLU 89 Cb 0.00 -2.13 -0.05 0.00 0.10 0.00 0.00 34.13 32.05 1wku s GLU 89 CO 0.00 0.19 0.22 1.03 0.02 0.00 0.00 175.26 176.71 1wku s ARG 90 N -3.78 4.18 0.63 1.61 1.81 -1.26 -4.45 118.95 117.68 1wku s ARG 90 Ca 0.35 -0.09 0.00 0.00 -1.72 0.00 0.00 55.73 54.28 1wku s ARG 90 Cb -0.03 -3.47 0.07 0.00 -0.45 0.00 0.00 34.95 31.07 1wku s ARG 90 CO 0.21 0.18 0.87 -0.51 -0.68 0.00 0.00 175.30 175.37 1wku s LEU 91 N 0.70 3.13 0.84 2.53 1.02 -1.26 -5.05 118.68 120.58 1wku s LEU 91 Ca 0.12 -0.15 -0.11 0.00 0.02 0.00 0.00 54.13 54.01 1wku s LEU 91 Cb -0.13 -2.50 0.10 0.00 0.02 0.00 0.00 46.19 43.68 1wku s LEU 91 CO 0.03 -1.45 1.15 -2.84 0.02 0.00 0.00 176.35 173.25 1wku s PRO 92 N -4.93 1.52 0.51 1.29 0.02 -1.26 -4.94 135.00 127.21 1wku s PRO 92 Ca 0.61 1.53 -0.21 0.00 0.02 0.00 0.00 61.00 62.95 1wku s PRO 92 Cb -0.08 -1.78 -0.06 0.00 0.02 0.00 0.00 34.50 32.59 1wku s PRO 92 CO 0.41 -2.26 1.18 1.03 -0.33 0.00 0.00 177.00 177.04 1wku s ARG 93 N -4.52 3.45 0.81 5.54 1.81 -1.26 -5.00 118.95 119.78 1wku s ARG 93 Ca 0.67 1.79 -0.11 0.00 -1.72 0.00 0.00 55.73 56.36 1wku s ARG 93 Cb -0.23 -2.20 0.08 0.00 -0.45 0.00 0.00 34.95 32.14 1wku s ARG 93 CO 0.54 -0.81 1.09 -1.25 -0.68 0.00 0.00 175.30 174.19 1wku s PRO 94 N -2.99 2.00 0.70 3.54 0.04 -1.26 -5.01 135.00 132.03 1wku s PRO 94 Ca 0.69 0.82 -0.13 0.00 0.04 0.00 0.00 61.00 62.42 1wku s PRO 94 Cb -0.29 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.38 1wku s PRO 94 CO 0.34 -1.72 1.10 -0.51 0.04 0.00 0.00 177.00 176.24 1wku s ASP 95 N -3.68 4.90 -0.30 6.66 1.11 -1.26 -5.02 116.67 119.08 1wku s ASP 95 Ca 0.61 1.91 -0.09 0.00 0.18 0.00 0.00 52.55 55.16 1wku s ASP 95 Cb -0.16 -2.54 -0.00 0.00 1.07 0.00 0.00 42.92 41.29 1wku s ASP 95 CO 0.55 -1.77 0.13 -0.75 1.18 0.00 0.00 175.17 174.51 1wku s LYS 96 N -4.45 3.26 0.00 8.23 2.47 -1.26 -5.00 119.74 122.98 1wku s LYS 96 Ca 0.64 -0.76 0.00 0.00 -1.56 0.00 0.00 55.97 54.29 1wku s LYS 96 Cb -0.19 -3.50 0.00 0.00 -1.46 0.00 0.00 37.83 32.69 1wku s LYS 96 CO 0.48 -0.42 0.00 0.41 0.16 0.00 0.00 175.35 175.98 1wku n GLY 97 N 4.94 4.58 0.13 5.54 0.00 -1.26 -4.98 105.19 114.14 1wku n GLY 97 Ca -0.14 -1.27 0.10 0.00 0.00 0.00 0.00 46.02 44.72 1wku n GLY 97 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1wku n LYS 98 N -1.90 0.32 -1.55 1.61 2.85 -1.26 -4.74 118.16 113.49 1wku n LYS 98 Ca 0.00 -0.26 -0.37 0.00 -1.05 0.00 0.00 58.31 56.63 1wku n LYS 98 Cb 0.00 -1.49 0.06 0.00 -0.65 0.00 0.00 35.03 32.95 1wku n LYS 98 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 1wku n MET 99 N -1.11 0.77 -0.35 -1.58 2.81 -1.26 -4.82 117.12 111.58 1wku n MET 99 Ca 0.06 0.31 0.07 0.00 -1.81 0.00 0.00 57.70 56.33 1wku n MET 99 Cb 0.37 -2.17 0.25 0.00 -0.71 0.00 0.00 33.22 30.95 1wku n MET 99 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 1wku h ARG 100 N 0.25 0.95 0.00 0.03 2.43 -2.01 -1.04 114.38 115.00 1wku h ARG 100 Ca -0.48 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 58.61 1wku h ARG 100 Cb 1.36 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1wku h ARG 100 CO 0.49 0.63 -0.10 0.27 -1.51 0.00 0.00 179.97 179.75 1wku h PHE 101 N 0.98 0.00 -0.15 2.20 -5.15 -1.98 -1.45 116.94 111.38 1wku h PHE 101 Ca 0.49 0.00 -0.20 0.00 -0.20 0.00 0.00 57.97 58.06 1wku h PHE 101 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.66 1wku h PHE 101 CO -0.00 0.10 -0.70 0.45 -2.00 0.00 0.00 178.31 176.16 1wku h HIS 102 N 0.00 0.86 -0.36 6.09 3.86 -1.51 -1.77 115.15 122.31 1wku h HIS 102 Ca -0.00 -0.36 -0.04 0.00 -1.16 0.00 0.00 60.37 58.82 1wku h HIS 102 Cb 0.35 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 1wku h HIS 102 CO 0.00 1.15 0.09 0.87 0.86 0.00 0.00 177.93 180.90 1wku h LYS 103 N 0.46 0.58 -0.86 2.45 1.57 -1.16 -1.15 116.57 118.46 1wku h LYS 103 Ca -0.03 -0.14 0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1wku h LYS 103 Cb 1.30 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.48 1wku h LYS 103 CO 0.14 0.62 0.55 0.82 -0.57 0.00 0.00 179.45 181.01 1wku h ILE 104 N 0.44 1.14 -0.71 1.86 2.04 -1.24 -0.39 117.51 120.64 1wku h ILE 104 Ca 0.11 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 1wku h ILE 104 Cb 0.30 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.32 1wku h ILE 104 CO 0.00 0.20 0.32 0.00 0.00 0.00 0.00 178.15 178.66 1wku h ALA 105 N 1.36 0.92 -0.30 1.87 0.00 -0.93 -0.55 119.26 121.62 1wku h ALA 105 Ca 0.34 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1wku h ALA 105 Cb 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1wku h ALA 105 CO -0.12 0.51 0.00 -0.91 0.00 0.00 0.00 179.25 178.74 1wku h ASN 106 N 1.01 0.52 -0.68 0.00 2.35 -0.52 -1.56 115.58 116.70 1wku h ASN 106 Ca 0.24 -0.31 -0.03 0.00 -0.55 0.00 0.00 56.30 55.65 1wku h ASN 106 Cb 0.16 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 1wku h ASN 106 CO -0.03 0.70 0.30 0.58 -1.65 0.00 0.00 177.43 177.34 1wku h VAL 107 N 0.33 1.23 -0.12 2.81 2.07 -0.92 -1.66 116.25 120.00 1wku h VAL 107 Ca 0.09 -0.70 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 1wku h VAL 107 Cb 0.43 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1wku h VAL 107 CO 0.02 0.29 -0.19 0.78 0.02 0.00 0.00 177.57 178.49 1wku h ASN 108 N 1.00 0.19 -0.56 0.57 -0.26 -0.87 0.82 115.58 116.48 1wku h ASN 108 Ca 0.24 -0.04 -0.09 0.00 -0.56 0.00 0.00 56.30 55.85 1wku h ASN 108 Cb 0.15 -0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.34 1wku h ASN 108 CO -0.03 0.39 0.02 0.11 -1.06 0.00 0.00 177.43 176.86 1wku h LYS 109 N 0.18 0.98 -0.17 0.81 1.57 -0.38 0.10 116.57 119.65 1wku h LYS 109 Ca 0.03 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 1wku h LYS 109 Cb 0.44 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1wku h LYS 109 CO 0.03 0.97 0.03 0.00 -0.57 0.00 0.00 179.45 179.91 1wku h ALA 110 N 0.97 0.23 -0.69 3.86 0.00 -0.69 -1.81 119.26 121.13 1wku h ALA 110 Ca 0.16 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1wku h ALA 110 Cb 0.52 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1wku h ALA 110 CO 0.03 -0.10 0.18 -0.07 0.00 0.00 0.00 179.25 179.28 1wku h LEU 111 N 0.07 1.04 -0.99 0.00 3.38 -0.74 -1.66 115.31 116.41 1wku h LEU 111 Ca 0.05 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1wku h LEU 111 Cb 0.31 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1wku h LEU 111 CO 0.00 0.99 0.16 0.44 0.09 0.00 0.00 178.44 180.13 1wku h ASP 112 N 1.03 0.83 -0.24 -0.43 3.32 -0.72 -0.04 116.42 120.16 1wku h ASP 112 Ca 0.22 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1wku h ASP 112 Cb 0.35 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1wku h ASP 112 CO -0.00 0.80 0.08 0.15 -1.72 0.00 0.00 179.24 178.55 1wku h PHE 113 N 0.86 0.39 -0.63 4.55 3.57 -0.90 -1.00 116.94 123.77 1wku h PHE 113 Ca 0.19 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.66 1wku h PHE 113 Cb 0.29 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1wku h PHE 113 CO 0.02 0.43 0.42 0.82 -2.23 0.00 0.00 178.31 177.76 1wku h ILE 114 N 0.23 1.15 -0.29 1.41 2.04 -0.97 -1.99 117.51 119.10 1wku h ILE 114 Ca 0.08 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 1wku h ILE 114 Cb 0.22 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 1wku h ILE 114 CO -0.00 0.15 0.06 0.00 0.00 0.00 0.00 178.15 178.36 1wku h ALA 115 N 1.24 1.57 0.00 1.87 0.00 -0.76 -1.15 119.26 122.03 1wku h ALA 115 Ca 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1wku h ALA 115 Cb -0.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1wku h ALA 115 CO -0.06 0.32 0.00 -1.13 0.00 0.00 0.00 179.25 178.39 1wku n SER 116 N -4.37 0.34 -1.83 0.00 3.41 -0.40 -1.86 113.62 108.92 1wku n SER 116 Ca 0.01 0.60 0.02 0.00 -0.26 0.00 0.00 58.87 59.24 1wku n SER 116 Cb 0.17 -0.67 0.34 0.00 -0.26 0.00 0.00 64.21 63.80 1wku n SER 116 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1wku n LYS 117 N -1.89 4.21 -0.58 4.33 4.76 -0.44 -4.89 118.16 123.65 1wku n LYS 117 Ca 0.02 -2.85 0.00 0.00 -2.87 0.00 0.00 58.31 52.61 1wku n LYS 117 Cb 0.16 -2.18 0.00 0.00 -1.84 0.00 0.00 35.03 31.17 1wku n LYS 117 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1wku n GLY 118 N 0.34 1.24 3.68 0.72 0.00 -0.78 -5.02 105.19 105.37 1wku n GLY 118 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 1wku n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wku s VAL 119 N -3.35 4.21 -0.70 1.61 1.01 -1.21 -4.98 120.40 116.98 1wku s VAL 119 Ca 0.00 1.53 -0.20 0.00 0.00 0.00 0.00 61.98 63.31 1wku s VAL 119 Cb 0.00 -3.98 0.11 0.00 0.00 0.00 0.00 36.38 32.51 1wku s VAL 119 CO 0.00 -0.02 0.88 -0.75 0.00 0.00 0.00 175.10 175.21 1wku s LYS 120 N 2.40 3.23 0.02 2.72 2.20 -1.26 -4.27 119.74 124.78 1wku s LYS 120 Ca 0.56 -1.36 -0.30 0.00 -0.36 0.00 0.00 55.97 54.51 1wku s LYS 120 Cb -0.25 -4.41 -0.06 0.00 -1.51 0.00 0.00 37.83 31.60 1wku s LYS 120 CO 0.21 -1.66 1.41 -0.51 -0.36 0.00 0.00 175.35 174.45 1wku s LEU 121 N 2.90 4.32 -0.13 5.43 1.43 -1.26 -5.01 118.68 126.36 1wku s LEU 121 Ca 0.20 2.15 0.02 0.00 -1.03 0.00 0.00 54.13 55.46 1wku s LEU 121 Cb -0.17 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.50 1wku s LEU 121 CO 0.03 -0.71 -0.19 0.68 0.23 0.00 0.00 176.35 176.38 1wku s VAL 122 N 2.26 1.86 0.00 -1.59 -7.23 -1.26 -4.75 120.40 109.68 1wku s VAL 122 Ca 0.64 -0.85 0.00 0.00 -1.81 0.00 0.00 61.98 59.96 1wku s VAL 122 Cb -0.32 -1.66 0.00 0.00 0.56 0.00 0.00 36.38 34.96 1wku s VAL 122 CO 0.27 0.51 0.00 -0.24 -0.31 0.00 0.00 175.10 175.33 1wku n SER 123 N 4.20 0.00 -4.64 4.85 2.88 -1.26 -4.92 113.62 114.74 1wku n SER 123 Ca -0.20 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 56.92 1wku n SER 123 Cb 0.51 -0.08 -0.03 0.00 -0.75 0.00 0.00 64.21 63.86 1wku n SER 123 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1wku s ILE 124 N -0.17 3.29 0.03 2.46 1.01 -1.26 -4.98 121.20 121.58 1wku s ILE 124 Ca 0.00 0.33 0.07 0.00 0.00 0.00 0.00 60.65 61.05 1wku s ILE 124 Cb 0.00 -3.27 -0.02 0.00 0.01 0.00 0.00 42.46 39.17 1wku s ILE 124 CO 0.00 -0.10 -0.20 -0.83 0.00 0.00 0.00 174.94 173.81 1wku s GLY 125 N 5.21 1.07 0.24 6.18 0.00 -1.26 -5.04 107.32 113.72 1wku s GLY 125 Ca 0.85 -1.00 -0.06 0.00 0.00 0.00 0.00 44.72 44.51 1wku s GLY 125 CO 0.35 -0.91 1.81 0.00 0.00 0.00 0.00 173.10 174.34 1wku h ALA 126 N 5.06 1.10 -0.80 3.20 0.00 -1.93 -2.19 119.26 123.70 1wku h ALA 126 Ca -0.41 0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.62 1wku h ALA 126 Cb 1.16 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 1wku h ALA 126 CO 0.45 0.08 0.45 0.93 0.00 0.00 0.00 179.25 181.16 1wku h GLU 127 N 0.76 0.74 -0.49 0.00 3.07 -1.96 0.14 114.58 116.84 1wku h GLU 127 Ca 0.37 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 59.11 1wku h GLU 127 Cb 0.32 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 1wku h GLU 127 CO -0.23 0.49 -0.00 0.93 -1.40 0.00 0.00 179.01 178.80 1wku h GLU 128 N 0.77 0.86 -0.64 2.33 4.39 -1.79 0.19 114.58 120.69 1wku h GLU 128 Ca 0.38 -0.28 -0.05 0.00 0.34 0.00 0.00 59.36 59.76 1wku h GLU 128 Cb 0.34 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 1wku h GLU 128 CO -0.24 0.90 0.20 0.82 -1.16 0.00 0.00 179.01 179.53 1wku h ILE 129 N 0.72 1.25 -0.07 3.13 1.08 -1.03 -1.12 117.51 121.47 1wku h ILE 129 Ca 0.14 -0.85 -0.02 0.00 -0.39 0.00 0.00 64.86 63.74 1wku h ILE 129 Cb 0.51 0.59 -0.00 0.00 -3.07 0.00 0.00 36.82 34.85 1wku h ILE 129 CO 0.03 0.33 -0.04 0.58 -0.69 0.00 0.00 178.15 178.35 1wku h VAL 130 N 0.92 1.33 0.00 1.67 2.07 -0.82 -3.27 116.25 118.16 1wku h VAL 130 Ca 0.21 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1wku h VAL 130 Cb 0.29 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1wku h VAL 130 CO -0.01 0.29 0.00 0.44 0.02 0.00 0.00 177.57 178.32 1wku h ASP 131 N -0.23 0.00 0.00 0.57 3.32 -0.94 -3.45 116.42 115.68 1wku h ASP 131 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1wku h ASP 131 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1wku h ASP 131 CO 0.01 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.14 1wku n GLY 132 N 0.70 2.34 3.13 2.75 0.00 -0.43 -5.08 105.19 108.60 1wku n GLY 132 Ca 0.03 -1.08 0.04 0.00 0.00 0.00 0.00 46.02 45.01 1wku n GLY 132 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wku s ASN 133 N 0.00 -1.14 0.11 1.61 3.84 -1.20 -4.89 114.94 113.27 1wku s ASN 133 Ca 0.00 0.00 -0.21 0.00 0.21 0.00 0.00 52.86 52.86 1wku s ASN 133 Cb 0.00 1.67 -0.08 0.00 -0.55 0.00 0.00 41.25 42.29 1wku s ASN 133 CO 0.00 -0.19 1.73 0.25 -2.79 0.00 0.00 177.10 176.10 1wku h LEU 134 N 7.46 -0.02 -0.69 3.21 5.85 -1.92 -0.51 115.31 128.69 1wku h LEU 134 Ca -0.03 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1wku h LEU 134 Cb 1.19 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.21 1wku h LEU 134 CO 0.05 0.01 0.43 0.11 -0.34 0.00 0.00 178.44 178.70 1wku h LYS 135 N 0.06 0.81 -0.43 1.25 1.57 -1.99 0.66 116.57 118.50 1wku h LYS 135 Ca 0.06 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 1wku h LYS 135 Cb 0.05 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1wku h LYS 135 CO -0.08 0.53 -0.20 1.98 -0.57 0.00 0.00 179.45 181.11 1wku h MET 136 N 0.83 0.85 -0.37 3.15 4.05 -1.94 -1.15 114.93 120.36 1wku h MET 136 Ca 0.28 -0.34 -0.05 0.00 -0.28 0.00 0.00 59.70 59.31 1wku h MET 136 Cb 0.04 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 1wku h MET 136 CO -0.12 0.98 0.05 1.15 0.23 0.00 0.00 176.91 179.20 1wku h THR 137 N 0.74 1.24 -0.77 -0.77 2.02 -0.48 -0.16 112.91 114.74 1wku h THR 137 Ca 0.10 -0.88 -0.04 0.00 0.77 0.00 0.00 66.41 66.37 1wku h THR 137 Cb 0.73 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 1wku h THR 137 CO 0.06 0.29 0.33 -0.07 0.37 0.00 0.00 175.52 176.50 1wku h LEU 138 N 0.45 1.03 -0.79 2.58 3.38 -0.78 -0.71 115.31 120.47 1wku h LEU 138 Ca 0.11 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1wku h LEU 138 Cb 0.38 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1wku h LEU 138 CO 0.01 0.90 0.29 1.23 0.09 0.00 0.00 178.44 180.96 1wku h GLY 139 N 1.14 1.28 0.85 0.83 0.00 -0.88 -0.61 103.07 105.69 1wku h GLY 139 Ca 0.26 -0.72 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 1wku h GLY 139 CO -0.03 0.67 0.04 1.98 0.00 0.00 0.00 176.54 179.21 1wku h MET 140 N 1.15 0.37 -0.48 4.80 1.85 -0.51 -1.91 114.93 120.20 1wku h MET 140 Ca 0.26 -0.10 -0.05 0.00 -0.61 0.00 0.00 59.70 59.20 1wku h MET 140 Cb 0.25 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.21 1wku h MET 140 CO -0.02 0.51 0.10 0.82 -0.40 0.00 0.00 176.91 177.92 1wku h ILE 141 N 0.18 1.21 -0.60 1.77 1.08 -0.94 -2.17 117.51 118.04 1wku h ILE 141 Ca 0.07 -0.79 -0.04 0.00 -0.39 0.00 0.00 64.86 63.71 1wku h ILE 141 Cb 0.31 0.74 -0.03 0.00 -3.07 0.00 0.00 36.82 34.78 1wku h ILE 141 CO 0.00 0.29 0.21 -0.25 -0.69 0.00 0.00 178.15 177.71 1wku h TRP 142 N 0.71 0.95 -0.56 1.37 2.91 -0.91 0.05 115.95 120.47 1wku h TRP 142 Ca 0.16 -0.09 0.02 0.00 1.13 0.00 0.00 58.89 60.11 1wku h TRP 142 Cb 0.29 -0.28 -0.03 0.00 -0.51 0.00 0.00 29.16 28.63 1wku h TRP 142 CO 0.01 0.78 0.37 0.00 -1.03 0.00 0.00 178.44 178.57 1wku h THR 143 N 0.85 1.10 -0.14 2.65 1.03 -0.79 0.86 112.91 118.47 1wku h THR 143 Ca 0.20 -0.24 -0.05 0.00 -0.01 0.00 0.00 66.41 66.31 1wku h THR 143 Cb 0.26 0.35 -0.00 0.00 -1.07 0.00 0.00 68.15 67.69 1wku h THR 143 CO -0.01 0.13 -0.12 0.40 -0.01 0.00 0.00 175.52 175.91 1wku h ILE 144 N 0.69 1.34 -0.42 0.00 2.04 -0.77 -1.51 117.51 118.89 1wku h ILE 144 Ca 0.21 -1.25 0.01 0.00 1.00 0.00 0.00 64.86 64.84 1wku h ILE 144 Cb 0.01 1.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 1wku h ILE 144 CO -0.05 0.36 0.27 0.40 0.00 0.00 0.00 178.15 179.13 1wku h ILE 145 N -0.05 1.10 -0.12 -0.67 2.04 -0.36 -1.25 117.51 118.20 1wku h ILE 145 Ca 0.02 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1wku h ILE 145 Cb 0.63 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1wku h ILE 145 CO 0.03 0.10 0.07 0.25 0.00 0.00 0.00 178.15 178.60 1wku h LEU 146 N 0.56 0.15 -0.23 1.44 5.85 -0.84 0.97 115.31 123.21 1wku h LEU 146 Ca 0.15 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1wku h LEU 146 Cb -0.06 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1wku h LEU 146 CO -0.04 0.17 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.12 1wku h ARG 147 N 0.12 0.41 0.00 1.25 9.65 -1.13 0.53 114.38 125.22 1wku h ARG 147 Ca 0.04 -0.14 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1wku h ARG 147 Cb 0.04 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 1wku h ARG 147 CO -0.01 0.61 -1.04 1.19 2.80 0.00 0.00 179.97 183.53 1wku n PHE 148 N -4.64 0.45 0.00 2.20 3.01 -0.48 -4.19 117.46 113.81 1wku n PHE 148 Ca -0.04 0.13 0.01 0.00 1.01 0.00 0.00 57.45 58.57 1wku n PHE 148 Cb 0.25 -0.60 -0.02 0.00 -0.01 0.00 0.00 39.48 39.10 1wku n PHE 148 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1wku n ALA 149 N -1.94 2.11 0.00 4.37 0.00 0.32 -4.91 120.51 120.46 1wku n ALA 149 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1wku n ALA 149 Cb 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1wku n ALA 149 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1wku n ILE 150 N -1.57 0.00 -0.29 0.00 5.41 -1.04 -4.82 119.36 117.04 1wku n ILE 150 Ca -0.00 0.00 0.11 0.00 1.00 0.00 0.00 62.75 63.86 1wku n ILE 150 Cb 0.07 -0.63 0.27 0.00 -0.71 0.00 0.00 39.64 38.64 1wku n ILE 150 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1wku h GLN 151 N 0.00 0.34 -0.03 0.38 4.15 -0.10 -1.29 115.11 118.56 1wku h GLN 151 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1wku h GLN 151 Cb 0.88 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.49 1wku h GLN 151 CO 0.00 0.23 0.00 -0.25 -1.93 0.00 0.00 178.83 176.88 1wku n ASP 152 N -5.09 0.53 -4.73 -0.69 8.00 -1.26 -3.44 116.55 109.87 1wku n ASP 152 Ca 0.20 -1.32 -0.42 0.00 0.71 0.00 0.00 54.79 53.96 1wku n ASP 152 Cb 0.60 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.66 1wku n ASP 152 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1wku s ILE 153 N -1.97 3.12 -0.04 0.53 1.01 -0.49 -4.88 121.20 118.49 1wku s ILE 153 Ca 0.38 0.89 -0.02 0.00 0.00 0.00 0.00 60.65 61.89 1wku s ILE 153 Cb 0.18 -3.57 0.03 0.00 0.01 0.00 0.00 42.46 39.12 1wku s ILE 153 CO 0.30 0.11 0.07 -0.55 0.00 0.00 0.00 174.94 174.87 1wku s SER 154 N 0.58 0.95 -0.07 3.58 0.15 -1.26 -1.05 113.70 116.58 1wku s SER 154 Ca 0.60 0.10 -0.01 0.00 0.70 0.00 0.00 55.95 57.35 1wku s SER 154 Cb -0.38 -0.08 0.03 0.00 -1.71 0.00 0.00 66.02 63.87 1wku s SER 154 CO 0.37 -0.23 -0.02 -0.69 1.20 0.00 0.00 173.24 173.86 1wku s VAL 155 N 2.03 0.48 -1.29 4.45 1.01 0.74 -4.89 120.40 122.93 1wku s VAL 155 Ca 0.03 0.02 -0.19 0.00 0.00 0.00 0.00 61.98 61.84 1wku s VAL 155 Cb -0.12 -0.58 0.01 0.00 0.00 0.00 0.00 36.38 35.69 1wku s VAL 155 CO -0.03 0.26 0.55 -0.62 0.00 0.00 0.00 175.10 175.25 1wku n GLU 156 N 4.80 -1.23 -1.53 2.72 1.02 -1.26 -0.54 120.64 124.62 1wku n GLU 156 Ca -0.13 0.25 -0.18 0.00 -0.02 0.00 0.00 57.16 57.08 1wku n GLU 156 Cb 0.50 -3.53 -0.08 0.00 -0.02 0.00 0.00 31.44 28.31 1wku n GLU 156 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1wku n GLU 157 N -4.62 -1.31 -4.62 3.49 1.02 -1.26 -4.97 120.64 108.37 1wku n GLU 157 Ca -0.18 1.14 -0.28 0.00 -0.02 0.00 0.00 57.16 57.82 1wku n GLU 157 Cb 0.62 -5.44 -0.17 0.00 -0.02 0.00 0.00 31.44 26.43 1wku n GLU 157 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1wku s THR 158 N -2.66 1.53 0.43 2.62 2.01 0.30 -5.10 115.64 114.78 1wku s THR 158 Ca 0.00 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.38 1wku s THR 158 Cb 0.00 -1.38 -0.06 0.00 0.01 0.00 0.00 72.50 71.07 1wku s THR 158 CO 0.00 0.45 0.09 -0.94 -0.69 0.00 0.00 174.62 173.52 1wku s SER 159 N 0.80 4.14 0.79 3.53 1.04 -1.26 -0.18 113.70 122.56 1wku s SER 159 Ca -0.11 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.03 1wku s SER 159 Cb -0.16 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.70 1wku s SER 159 CO 0.01 -0.57 0.00 0.00 0.98 0.00 0.00 173.24 173.67 1wku n ALA 160 N -1.14 0.00 -0.14 5.32 0.00 -0.21 -1.66 120.51 122.67 1wku n ALA 160 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.35 1wku n ALA 160 Cb 0.66 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.13 1wku n ALA 160 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1wku h LYS 161 N 0.00 -0.03 -0.51 0.00 3.64 -1.91 -0.07 116.57 117.69 1wku h LYS 161 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1wku h LYS 161 Cb 0.00 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1wku h LYS 161 CO 0.00 -0.02 0.22 0.93 -2.27 0.00 0.00 179.45 178.31 1wku h GLU 162 N -0.03 0.73 -0.35 1.90 3.07 -1.88 -1.23 114.58 116.79 1wku h GLU 162 Ca 0.22 -0.10 -0.16 0.00 -0.50 0.00 0.00 59.36 58.83 1wku h GLU 162 Cb 0.36 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1wku h GLU 162 CO -0.48 0.59 -0.39 0.78 -1.40 0.00 0.00 179.01 178.10 1wku h GLY 163 N 0.85 0.96 1.06 -3.84 0.00 -0.28 -1.55 103.07 100.27 1wku h GLY 163 Ca 0.18 -1.01 -0.06 0.00 0.00 0.00 0.00 47.33 46.44 1wku h GLY 163 CO -0.02 0.91 0.22 -2.00 0.00 0.00 0.00 176.54 175.65 1wku h LEU 164 N 0.68 1.09 -0.31 3.11 5.85 -0.73 -1.39 115.31 123.61 1wku h LEU 164 Ca 0.05 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 1wku h LEU 164 Cb 0.99 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1wku h LEU 164 CO 0.10 1.02 0.09 0.25 -0.34 0.00 0.00 178.44 179.56 1wku h LEU 165 N 1.11 0.45 -0.95 2.25 5.85 -1.12 -1.78 115.31 121.12 1wku h LEU 165 Ca 0.24 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1wku h LEU 165 Cb 0.32 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 1wku h LEU 165 CO -0.01 0.54 0.63 0.25 -0.34 0.00 0.00 178.44 179.51 1wku h LEU 166 N 0.34 1.06 -0.30 2.25 5.85 -1.04 -0.37 115.31 123.10 1wku h LEU 166 Ca 0.10 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.81 1wku h LEU 166 Cb 0.25 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1wku h LEU 166 CO -0.00 0.75 0.18 -0.25 -0.34 0.00 0.00 178.44 178.77 1wku h TRP 167 N 1.25 0.33 -0.95 1.25 7.01 -0.99 0.39 115.95 124.23 1wku h TRP 167 Ca 0.36 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.39 1wku h TRP 167 Cb -0.07 -0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 26.83 1wku h TRP 167 CO -0.01 0.20 0.63 0.00 -2.79 0.00 0.00 178.44 176.47 1wku h GLN 169 N 1.26 1.05 -0.45 0.00 4.20 -0.46 -1.31 115.11 119.40 1wku h GLN 169 Ca 0.36 -0.34 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 1wku h GLN 169 Cb -0.09 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 1wku h GLN 169 CO -0.09 1.04 0.07 0.00 -0.67 0.00 0.00 178.83 179.17 1wku h ARG 170 N 0.95 0.75 -0.06 1.46 2.47 -0.50 -1.67 114.38 117.79 1wku h ARG 170 Ca 0.16 -0.20 -0.12 0.00 -1.26 0.00 0.00 59.98 58.56 1wku h ARG 170 Cb 0.58 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.80 1wku h ARG 170 CO 0.03 0.77 -0.51 0.87 0.56 0.00 0.00 179.97 181.70 1wku h LYS 171 N 0.62 0.15 -0.17 0.04 1.79 -1.11 -3.18 116.57 114.71 1wku h LYS 171 Ca 0.14 -0.08 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1wku h LYS 171 Cb 0.39 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1wku h LYS 171 CO 0.01 0.62 0.00 0.25 -1.08 0.00 0.00 179.45 179.25 1wku n THR 172 N -3.94 0.20 -0.30 -0.16 -2.24 -0.51 -4.56 114.28 102.77 1wku n THR 172 Ca -0.02 -0.54 0.09 0.00 -2.27 0.00 0.00 64.05 61.31 1wku n THR 172 Cb 0.54 1.09 0.25 0.00 -2.10 0.00 0.00 70.33 70.10 1wku n THR 172 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wku h ALA 173 N 4.54 1.35 0.00 6.98 0.00 -1.28 -2.10 119.26 128.75 1wku h ALA 173 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1wku h ALA 173 Cb 0.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1wku h ALA 173 CO 0.00 -0.12 0.00 -1.35 0.00 0.00 0.00 179.25 177.78 1wku h PRO 174 N 0.61 0.00 -5.35 0.00 0.11 -1.83 -3.42 132.00 122.12 1wku h PRO 174 Ca 0.49 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.94 1wku h PRO 174 Cb 0.75 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 31.70 1wku h PRO 174 CO -0.39 0.00 0.11 0.71 -0.21 0.00 0.00 178.00 178.22 1wku s TYR 175 N -3.64 3.06 0.47 0.65 1.51 -0.79 -4.95 117.35 113.67 1wku s TYR 175 Ca 0.00 -0.12 0.18 0.00 -1.01 0.00 0.00 57.07 56.12 1wku s TYR 175 Cb 0.09 -3.36 1.19 0.00 -0.11 0.00 0.00 41.96 39.78 1wku s TYR 175 CO 0.41 -0.89 2.06 0.00 -1.11 0.00 0.00 175.55 176.01 1wku h ARG 176 N 8.89 0.00 -0.61 -0.62 2.47 -1.86 -2.40 114.38 120.25 1wku h ARG 176 Ca -0.26 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 1wku h ARG 176 Cb 1.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 1wku h ARG 176 CO 0.90 0.12 0.00 0.27 0.56 0.00 0.00 179.97 181.82 1wku n ASN 177 N -4.22 2.99 -4.27 7.04 0.23 -1.26 -4.83 115.26 110.94 1wku n ASN 177 Ca -0.03 -2.29 -0.27 0.00 -0.53 0.00 0.00 54.58 51.47 1wku n ASN 177 Cb 0.20 -0.46 -0.14 0.00 -2.08 0.00 0.00 39.78 37.30 1wku n ASN 177 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1wku s VAL 178 N -1.74 1.77 -0.44 3.53 1.01 -0.90 -4.90 120.40 118.72 1wku s VAL 178 Ca 0.29 -1.22 0.06 0.00 0.00 0.00 0.00 61.98 61.11 1wku s VAL 178 Cb 0.19 -1.53 0.18 0.00 0.00 0.00 0.00 36.38 35.22 1wku s VAL 178 CO 0.13 0.26 0.57 0.21 0.00 0.00 0.00 175.10 176.27 1wku s ASN 179 N -1.14 -0.48 -0.30 3.32 2.47 -1.26 -4.90 114.94 112.64 1wku s ASN 179 Ca 0.08 -1.61 -0.29 0.00 0.42 0.00 0.00 52.86 51.46 1wku s ASN 179 Cb -0.09 1.29 0.01 0.00 -1.45 0.00 0.00 41.25 41.01 1wku s ASN 179 CO 0.02 -0.15 1.22 -0.69 -3.72 0.00 0.00 177.10 173.78 1wku s VAL 180 N 1.17 4.28 0.00 -5.21 1.01 -1.26 -4.81 120.40 115.57 1wku s VAL 180 Ca 0.23 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.67 1wku s VAL 180 Cb -0.04 -4.25 0.00 0.00 0.00 0.00 0.00 36.38 32.09 1wku s VAL 180 CO -0.07 -0.47 0.21 0.00 0.00 0.00 0.00 175.10 174.77 1wku n GLN 181 N 7.13 0.09 -3.02 2.72 1.13 -1.26 -4.85 117.38 119.32 1wku n GLN 181 Ca 0.14 -0.21 -0.02 0.00 -1.94 0.00 0.00 57.00 54.97 1wku n GLN 181 Cb 0.47 -0.67 0.01 0.00 0.11 0.00 0.00 30.24 30.16 1wku n GLN 181 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1wku n ASN 182 N -0.07 -1.18 -1.71 1.08 0.23 -1.26 -5.04 115.26 107.31 1wku n ASN 182 Ca 0.00 -1.64 -0.17 0.00 -0.53 0.00 0.00 54.58 52.24 1wku n ASN 182 Cb 0.11 1.92 0.14 0.00 -2.08 0.00 0.00 39.78 39.87 1wku n ASN 182 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1wku n PHE 183 N -0.47 2.09 0.00 -2.53 0.99 -1.26 -4.59 117.46 111.70 1wku n PHE 183 Ca -0.02 -2.02 0.00 0.00 -0.00 0.00 0.00 57.45 55.41 1wku n PHE 183 Cb 0.38 -0.72 0.00 0.00 -1.00 0.00 0.00 39.48 38.14 1wku n PHE 183 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.76 174.37 1wku n HIS 184 N -1.02 0.00 0.00 1.38 1.44 -1.26 -4.04 115.22 111.71 1wku n HIS 184 Ca 0.45 0.00 0.20 0.00 -2.01 0.00 0.00 57.72 56.36 1wku n HIS 184 Cb 1.06 0.00 0.68 0.00 0.12 0.00 0.00 29.99 31.86 1wku n HIS 184 CO 0.00 0.00 0.00 1.79 -2.81 0.00 0.00 176.34 175.32 1wku h THR 185 N 0.00 0.74 0.00 0.61 1.35 -1.86 -1.39 112.91 112.36 1wku h THR 185 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1wku h THR 185 Cb 0.00 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 67.15 1wku h THR 185 CO 0.00 0.00 0.00 0.28 -0.25 0.00 0.00 175.52 175.55 1wku h SER 186 N 0.01 0.00 -0.02 5.36 0.02 -1.88 -2.79 113.55 114.26 1wku h SER 186 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1wku h SER 186 Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1wku h SER 186 CO -0.01 0.00 -0.17 0.79 -1.14 0.00 0.00 176.83 176.30 1wku n TRP 187 N -2.54 0.00 -0.30 3.45 7.02 -0.52 -4.63 117.44 119.91 1wku n TRP 187 Ca -0.00 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.52 1wku n TRP 187 Cb 0.14 0.00 0.25 0.00 -2.42 0.00 0.00 31.31 29.28 1wku n TRP 187 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 1wku h LYS 188 N 2.66 0.98 -0.10 -0.99 1.57 -1.56 -2.82 116.57 116.30 1wku h LYS 188 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1wku h LYS 188 Cb 0.65 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1wku h LYS 188 CO 0.00 0.65 0.00 -0.40 -0.57 0.00 0.00 179.45 179.13 1wku n ASP 189 N -4.49 1.35 0.00 0.86 5.68 -1.26 -4.43 116.55 114.26 1wku n ASP 189 Ca 0.14 -1.58 0.00 0.00 -0.50 0.00 0.00 54.79 52.85 1wku n ASP 189 Cb 0.21 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 1wku n ASP 189 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wku n GLY 190 N 1.10 2.49 0.27 6.12 0.00 -1.07 -4.35 105.19 109.75 1wku n GLY 190 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 1wku n GLY 190 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wku h LEU 191 N 0.00 0.80 -0.70 0.99 3.38 -1.90 -2.05 115.31 115.83 1wku h LEU 191 Ca 0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1wku h LEU 191 Cb 0.00 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1wku h LEU 191 CO 0.00 0.96 0.41 0.00 0.09 0.00 0.00 178.44 179.90 1wku h ALA 192 N 1.11 0.90 -0.36 1.53 0.00 -1.89 0.18 119.26 120.73 1wku h ALA 192 Ca 0.11 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1wku h ALA 192 Cb 0.66 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1wku h ALA 192 CO 0.05 0.38 -0.23 -0.07 0.00 0.00 0.00 179.25 179.38 1wku h LEU 193 N 0.96 0.82 -0.87 0.00 3.38 -1.87 -0.56 115.31 117.16 1wku h LEU 193 Ca 0.25 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1wku h LEU 193 Cb -0.01 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1wku h LEU 193 CO -0.05 1.07 0.26 0.00 0.09 0.00 0.00 178.44 179.82 1wku h ALA 195 N 1.22 0.72 -0.76 0.00 0.00 -0.50 0.13 119.26 120.08 1wku h ALA 195 Ca 0.24 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1wku h ALA 195 Cb 0.24 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1wku h ALA 195 CO -0.02 0.62 0.48 1.25 0.00 0.00 0.00 179.25 181.58 1wku h LEU 196 N 0.86 0.80 -0.11 0.00 5.85 -0.70 0.57 115.31 122.59 1wku h LEU 196 Ca 0.14 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 1wku h LEU 196 Cb 0.64 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1wku h LEU 196 CO 0.04 0.56 -0.15 0.40 -0.34 0.00 0.00 178.44 178.95 1wku h ILE 197 N 0.95 1.38 -0.70 4.05 2.04 -1.11 -3.22 117.51 120.89 1wku h ILE 197 Ca 0.30 -1.38 0.05 0.00 1.00 0.00 0.00 64.86 64.83 1wku h ILE 197 Cb -0.01 2.03 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 1wku h ILE 197 CO -0.10 0.40 0.46 -0.74 0.00 0.00 0.00 178.15 178.16 1wku h HIS 198 N -0.13 0.76 -0.70 1.37 2.76 -0.38 0.26 115.15 119.09 1wku h HIS 198 Ca 0.01 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.22 1wku h HIS 198 Cb 0.71 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 29.38 1wku h HIS 198 CO 0.10 0.42 0.46 -0.09 -1.30 0.00 0.00 177.93 177.52 1wku h ARG 199 N 0.77 0.88 0.04 5.26 9.65 -0.90 -1.87 114.38 128.20 1wku h ARG 199 Ca 0.29 -0.05 -0.35 0.00 -1.10 0.00 0.00 59.98 58.77 1wku h ARG 199 Cb 0.18 -0.20 -0.05 0.00 -1.39 0.00 0.00 29.97 28.52 1wku h ARG 199 CO -0.09 0.58 -2.09 0.72 2.80 0.00 0.00 179.97 181.89 1wku n HIS 200 N -4.44 0.68 -3.43 2.20 8.25 -0.86 -4.73 115.22 112.89 1wku n HIS 200 Ca 0.08 0.19 -0.26 0.00 -0.26 0.00 0.00 57.72 57.46 1wku n HIS 200 Cb 0.07 -1.11 -0.09 0.00 1.12 0.00 0.00 29.99 29.98 1wku n HIS 200 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1wku n ARG 201 N -3.17 0.95 0.27 -0.41 5.12 0.85 -4.94 116.66 115.32 1wku n ARG 201 Ca -0.31 -3.62 0.18 0.00 -1.93 0.00 0.00 57.85 52.17 1wku n ARG 201 Cb 1.06 -1.73 0.91 0.00 -1.16 0.00 0.00 32.46 31.55 1wku n ARG 201 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1wku h PRO 202 N 4.92 0.00 0.00 5.56 0.13 -1.54 -1.17 132.00 139.90 1wku h PRO 202 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1wku h PRO 202 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1wku h PRO 202 CO 0.52 0.00 0.00 0.38 -0.23 0.00 0.00 178.00 178.67 1wku h ASP 203 N 0.00 0.00 0.95 1.44 2.03 -1.92 -3.22 116.42 115.70 1wku h ASP 203 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1wku h ASP 203 Cb 0.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.60 1wku h ASP 203 CO 0.00 0.00 -0.73 -0.07 -1.03 0.00 0.00 179.24 177.41 1wku h LEU 204 N 0.00 0.00 -7.43 0.15 3.38 -1.58 -3.47 115.31 106.36 1wku h LEU 204 Ca 0.00 -0.14 -0.18 0.00 0.09 0.00 0.00 57.88 57.65 1wku h LEU 204 Cb 0.66 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.13 1wku h LEU 204 CO 0.00 0.07 -0.47 -0.51 0.09 0.00 0.00 178.44 177.62 1wku s ILE 205 N -3.24 -0.02 -1.18 1.22 2.07 -1.22 -5.02 121.20 113.82 1wku s ILE 205 Ca 0.04 0.07 -0.14 0.00 -1.41 0.00 0.00 60.65 59.21 1wku s ILE 205 Cb 0.12 -0.35 0.16 0.00 0.13 0.00 0.00 42.46 42.52 1wku s ILE 205 CO 0.74 0.03 1.41 -1.81 -1.91 0.00 0.00 174.94 173.41 1wku s ASP 206 N 0.66 7.02 0.32 4.50 1.01 -1.26 -4.86 116.67 124.07 1wku s ASP 206 Ca -0.04 -2.89 0.06 0.00 0.71 0.00 0.00 52.55 50.39 1wku s ASP 206 Cb -0.06 -2.41 0.72 0.00 1.01 0.00 0.00 42.92 42.19 1wku s ASP 206 CO -0.04 -0.79 1.83 0.22 0.21 0.00 0.00 175.17 176.61 1wku h TYR 207 N 7.33 0.98 -0.02 4.23 3.20 -1.95 -2.04 116.97 128.70 1wku h TYR 207 Ca 0.30 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.21 1wku h TYR 207 Cb 0.89 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.85 1wku h TYR 207 CO 1.12 0.33 0.03 0.00 -1.64 0.00 0.00 178.16 178.00 1wku h ALA 208 N 1.59 1.45 0.00 1.82 0.00 -2.02 -1.78 119.26 120.31 1wku h ALA 208 Ca 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1wku h ALA 208 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1wku h ALA 208 CO -0.27 -0.04 -0.05 -0.22 0.00 0.00 0.00 179.25 178.67 1wku h LYS 209 N 0.00 0.00 -6.74 0.00 3.64 -1.79 -3.46 116.57 108.23 1wku h LYS 209 Ca 0.01 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.87 1wku h LYS 209 Cb 0.06 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1wku h LYS 209 CO -0.00 0.00 0.55 -0.51 -2.27 0.00 0.00 179.45 177.22 1wku s LEU 210 N -5.70 4.47 0.01 5.20 1.43 -0.67 -5.05 118.68 118.37 1wku s LEU 210 Ca 0.08 2.32 0.08 0.00 -1.03 0.00 0.00 54.13 55.58 1wku s LEU 210 Cb 0.07 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.65 1wku s LEU 210 CO 0.66 -0.34 -0.24 -0.13 0.23 0.00 0.00 176.35 176.53 1wku s ARG 211 N -0.79 1.82 0.49 1.70 0.52 -1.26 -5.03 118.95 116.40 1wku s ARG 211 Ca 0.50 -0.92 0.16 0.00 -0.52 0.00 0.00 55.73 54.95 1wku s ARG 211 Cb -0.34 -1.84 1.17 0.00 0.52 0.00 0.00 34.95 34.46 1wku s ARG 211 CO 0.40 0.49 2.08 -0.22 0.02 0.00 0.00 175.30 178.08 1wku h LYS 212 N 5.28 0.00 0.00 3.54 3.64 -1.96 -2.24 116.57 124.82 1wku h LYS 212 Ca -0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1wku h LYS 212 Cb 1.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1wku h LYS 212 CO 0.46 0.08 0.00 -0.40 -2.27 0.00 0.00 179.45 177.32 1wku n ASP 213 N -4.41 0.00 -2.88 4.20 3.85 -1.26 -3.58 116.55 112.47 1wku n ASP 213 Ca -0.03 -1.64 -0.22 0.00 -0.71 0.00 0.00 54.79 52.19 1wku n ASP 213 Cb 0.16 0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 39.91 1wku n ASP 213 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 1wku n ASP 214 N -0.57 3.19 -0.23 -1.12 2.03 -0.84 -4.95 116.55 114.06 1wku n ASP 214 Ca 0.03 -3.40 0.01 0.00 0.52 0.00 0.00 54.79 51.95 1wku n ASP 214 Cb 0.01 -0.55 0.13 0.00 -0.72 0.00 0.00 41.12 39.99 1wku n ASP 214 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1wku h PRO 215 N 2.91 0.52 -0.37 -0.67 0.13 -1.75 -0.30 132.00 132.46 1wku h PRO 215 Ca 0.13 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 1wku h PRO 215 Cb 0.79 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.78 1wku h PRO 215 CO 0.70 0.34 0.21 0.82 -0.23 0.00 0.00 178.00 179.84 1wku h ILE 216 N 0.53 1.14 -0.64 -3.56 1.08 -1.89 -1.09 117.51 113.08 1wku h ILE 216 Ca 0.33 -0.36 -0.03 0.00 -0.39 0.00 0.00 64.86 64.41 1wku h ILE 216 Cb 0.37 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 34.79 1wku h ILE 216 CO -0.28 0.14 0.27 1.23 -0.69 0.00 0.00 178.15 178.83 1wku h GLY 217 N 0.48 1.02 0.94 5.37 0.00 -1.82 -0.93 103.07 108.12 1wku h GLY 217 Ca 0.13 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1wku h GLY 217 CO -0.02 0.51 0.12 3.43 0.00 0.00 0.00 176.54 180.58 1wku h ASN 218 N 0.90 0.29 -0.10 0.19 2.35 -0.82 -0.97 115.58 117.42 1wku h ASN 218 Ca 0.22 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1wku h ASN 218 Cb 0.18 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.47 1wku h ASN 218 CO -0.02 0.30 0.06 -0.07 -1.65 0.00 0.00 177.43 176.04 1wku h LEU 219 N 0.25 0.12 -1.39 1.61 3.38 -1.05 -2.10 115.31 116.13 1wku h LEU 219 Ca 0.08 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1wku h LEU 219 Cb 0.08 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1wku h LEU 219 CO -0.01 0.17 0.05 0.78 0.09 0.00 0.00 178.44 179.51 1wku h ASN 220 N 0.07 0.41 -0.50 -0.43 2.35 -1.08 0.83 115.58 117.23 1wku h ASN 220 Ca 0.04 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 1wku h ASN 220 Cb 0.07 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1wku h ASN 220 CO -0.01 0.45 0.20 0.74 -1.65 0.00 0.00 177.43 177.15 1wku h THR 221 N 0.44 1.21 -0.36 2.81 2.02 -0.90 0.43 112.91 118.56 1wku h THR 221 Ca 0.10 -0.67 -0.09 0.00 0.77 0.00 0.00 66.41 66.53 1wku h THR 221 Cb 0.22 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1wku h THR 221 CO 0.00 0.25 -0.12 0.00 0.37 0.00 0.00 175.52 176.02 1wku h ALA 222 N 1.04 0.50 -0.43 6.16 0.00 -0.69 -1.75 119.26 124.09 1wku h ALA 222 Ca 0.17 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1wku h ALA 222 Cb 0.20 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1wku h ALA 222 CO -0.01 0.38 0.22 0.74 0.00 0.00 0.00 179.25 180.58 1wku h PHE 223 N 0.51 0.60 -0.21 0.00 0.04 -0.66 -1.22 116.94 115.99 1wku h PHE 223 Ca 0.09 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 1wku h PHE 223 Cb 0.64 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 1wku h PHE 223 CO 0.05 0.48 0.07 0.93 -0.60 0.00 0.00 178.31 179.24 1wku h GLU 224 N 0.55 0.33 -0.62 1.51 5.08 -0.87 -1.53 114.58 119.04 1wku h GLU 224 Ca 0.15 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1wku h GLU 224 Cb 0.09 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1wku h GLU 224 CO -0.02 0.41 0.34 0.28 -1.00 0.00 0.00 179.01 179.02 1wku h VAL 225 N 0.18 1.20 -0.81 3.13 2.07 -1.22 -0.13 116.25 120.67 1wku h VAL 225 Ca 0.07 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 1wku h VAL 225 Cb 0.21 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 1wku h VAL 225 CO -0.00 0.21 0.34 0.00 0.02 0.00 0.00 177.57 178.14 1wku h ALA 226 N 1.16 1.06 -0.12 1.67 0.00 -1.12 0.32 119.26 122.22 1wku h ALA 226 Ca 0.22 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1wku h ALA 226 Cb 0.04 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1wku h ALA 226 CO -0.04 0.67 -0.10 1.49 0.00 0.00 0.00 179.25 181.28 1wku h GLU 227 N 1.18 0.28 0.04 0.00 4.81 -0.93 -0.99 114.58 118.97 1wku h GLU 227 Ca 0.27 -0.14 -0.27 0.00 -0.13 0.00 0.00 59.36 59.09 1wku h GLU 227 Cb 0.20 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.60 1wku h GLU 227 CO -0.02 0.66 -1.10 -0.22 -0.73 0.00 0.00 179.01 177.60 1wku h LYS 228 N -0.10 0.65 0.00 1.92 3.64 -0.96 -3.29 116.57 118.42 1wku h LYS 228 Ca 0.02 -0.75 -0.04 0.00 -1.27 0.00 0.00 60.65 58.60 1wku h LYS 228 Cb 0.60 0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1wku h LYS 228 CO 0.03 1.33 -1.63 0.66 -2.27 0.00 0.00 179.45 177.56 1wku n TYR 229 N -3.82 0.00 0.62 1.91 4.02 0.09 -4.65 117.16 115.33 1wku n TYR 229 Ca -0.11 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.85 1wku n TYR 229 Cb 0.91 -0.35 0.05 0.00 -0.02 0.00 0.00 39.34 39.93 1wku n TYR 229 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1wku n LEU 230 N -2.05 2.04 -3.20 7.72 4.77 -0.49 -4.99 117.00 120.82 1wku n LEU 230 Ca -0.06 -0.94 -0.23 0.00 -0.03 0.00 0.00 56.01 54.75 1wku n LEU 230 Cb 0.45 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.58 1wku n LEU 230 CO 0.26 0.37 0.07 -0.67 -1.33 0.00 0.00 177.39 176.10 1wku n ASP 231 N 0.58 -6.19 -4.15 -1.43 2.03 -0.59 -4.95 116.55 101.84 1wku n ASP 231 Ca 0.08 -0.36 -0.35 0.00 0.52 0.00 0.00 54.79 54.67 1wku n ASP 231 Cb 0.35 -4.96 -0.13 0.00 -0.72 0.00 0.00 41.12 35.66 1wku n ASP 231 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1wku s ILE 232 N -3.22 3.04 0.67 5.18 1.01 -0.54 -4.99 121.20 122.35 1wku s ILE 232 Ca 0.39 -1.64 -0.17 0.00 0.00 0.00 0.00 60.65 59.23 1wku s ILE 232 Cb -0.17 -2.88 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 1wku s ILE 232 CO 0.48 -0.31 1.06 -2.65 0.00 0.00 0.00 174.94 173.53 1wku n PRO 233 N 4.59 0.78 -2.12 2.79 -0.02 -1.26 -2.76 135.00 136.99 1wku n PRO 233 Ca -0.09 0.32 -0.42 0.00 -2.02 0.00 0.00 63.50 61.29 1wku n PRO 233 Cb 0.43 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 1wku n PRO 233 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1wku s LYS 234 N -3.20 4.31 0.00 -0.52 1.02 -1.26 -4.88 119.74 115.21 1wku s LYS 234 Ca 0.77 2.15 0.00 0.00 0.02 0.00 0.00 55.97 58.91 1wku s LYS 234 Cb -0.37 -3.20 0.00 0.00 -0.52 0.00 0.00 37.83 33.73 1wku s LYS 234 CO 0.46 -0.42 0.00 -1.33 -0.92 0.00 0.00 175.35 173.14 1wku n MET 235 N 3.47 3.47 -4.37 1.68 2.81 -1.26 -4.88 117.12 118.03 1wku n MET 235 Ca 0.10 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.69 1wku n MET 235 Cb 0.41 -0.52 -0.11 0.00 -0.71 0.00 0.00 33.22 32.30 1wku n MET 235 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1wku s LEU 236 N -1.49 2.84 -0.29 4.03 1.43 -1.26 -3.38 118.68 120.56 1wku s LEU 236 Ca 0.00 -0.44 -0.12 0.00 -1.03 0.00 0.00 54.13 52.55 1wku s LEU 236 Cb 0.00 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 1wku s LEU 236 CO 0.00 0.20 0.22 -0.62 0.23 0.00 0.00 176.35 176.38 1wku s ASP 237 N -1.96 6.05 0.20 2.29 -1.08 -1.26 -4.99 116.67 115.93 1wku s ASP 237 Ca 0.18 -0.02 -0.11 0.00 -0.52 0.00 0.00 52.55 52.09 1wku s ASP 237 Cb -0.11 -2.13 0.24 0.00 -1.46 0.00 0.00 42.92 39.46 1wku s ASP 237 CO 0.10 -0.09 1.75 0.00 0.52 0.00 0.00 175.17 177.45 1wku h ALA 238 N 8.36 0.74 -0.54 3.66 0.00 -1.97 -1.79 119.26 127.73 1wku h ALA 238 Ca -0.34 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1wku h ALA 238 Cb 1.18 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1wku h ALA 238 CO 0.57 -0.18 0.33 0.93 0.00 0.00 0.00 179.25 180.90 1wku h GLU 239 N 0.42 0.64 -0.58 0.00 3.07 -1.96 -1.54 114.58 114.62 1wku h GLU 239 Ca 0.28 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 59.04 1wku h GLU 239 Cb 0.32 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.06 1wku h GLU 239 CO -0.27 0.42 0.11 -0.44 -1.40 0.00 0.00 179.01 177.43 1wku h ASP 240 N 0.66 0.87 -0.20 1.42 3.32 -1.86 -1.00 116.42 119.63 1wku h ASP 240 Ca 0.21 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1wku h ASP 240 Cb -0.00 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 1wku h ASP 240 CO -0.08 0.87 0.01 0.40 -1.72 0.00 0.00 179.24 178.72 1wku h ILE 241 N 0.88 1.24 -0.15 0.35 1.08 -0.95 -2.17 117.51 117.80 1wku h ILE 241 Ca 0.18 -0.82 -0.16 0.00 -0.39 0.00 0.00 64.86 63.67 1wku h ILE 241 Cb 0.36 1.40 -0.01 0.00 -3.07 0.00 0.00 36.82 35.50 1wku h ILE 241 CO 0.00 0.25 -0.59 -0.37 -0.69 0.00 0.00 178.15 176.75 1wku h VAL 242 N 0.11 1.34 0.00 1.67 -1.51 -1.19 -3.33 116.25 113.34 1wku h VAL 242 Ca 0.06 -1.88 0.00 0.00 -1.23 0.00 0.00 66.70 63.65 1wku h VAL 242 Cb 0.36 1.86 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 1wku h VAL 242 CO 0.01 0.58 -0.80 0.59 -1.23 0.00 0.00 177.57 176.71 1wku n ASN 243 N -3.93 0.64 -4.64 4.19 3.02 -0.39 -4.82 115.26 109.33 1wku n ASN 243 Ca -0.03 -0.08 -0.41 0.00 -0.03 0.00 0.00 54.58 54.03 1wku n ASN 243 Cb 0.63 0.47 -0.06 0.00 -0.61 0.00 0.00 39.78 40.21 1wku n ASN 243 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1wku s THR 244 N -3.16 4.98 0.24 3.41 2.01 -0.82 -4.96 115.64 117.34 1wku s THR 244 Ca 0.06 1.21 -0.12 0.00 0.31 0.00 0.00 61.69 63.15 1wku s THR 244 Cb 0.14 -3.96 0.32 0.00 0.01 0.00 0.00 72.50 69.02 1wku s THR 244 CO 0.76 0.04 1.60 -0.65 -0.69 0.00 0.00 174.62 175.68 1wku h PRO 245 N 7.72 -0.01 -3.54 4.92 0.11 -1.89 -3.30 132.00 136.02 1wku h PRO 245 Ca -0.28 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.23 1wku h PRO 245 Cb 1.13 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.84 1wku h PRO 245 CO 0.78 -0.00 -0.75 0.21 -0.21 0.00 0.00 178.00 178.03 1wku s LYS 246 N -6.23 0.96 0.83 1.05 2.20 -1.26 -4.77 119.74 112.52 1wku s LYS 246 Ca -0.15 -1.42 -0.13 0.00 -0.36 0.00 0.00 55.97 53.91 1wku s LYS 246 Cb 0.22 -2.23 0.06 0.00 -1.51 0.00 0.00 37.83 34.37 1wku s LYS 246 CO 0.75 -1.03 0.97 -2.30 -0.36 0.00 0.00 175.35 173.38 1wku n PRO 247 N 4.42 0.06 -2.12 4.03 -0.02 -1.24 -4.88 135.00 135.25 1wku n PRO 247 Ca 0.02 0.09 -0.42 0.00 -2.02 0.00 0.00 63.50 61.16 1wku n PRO 247 Cb 0.40 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 1wku n PRO 247 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1wku s ASP 248 N -2.06 6.73 0.40 2.55 -1.08 -1.26 -4.72 116.67 117.22 1wku s ASP 248 Ca 0.69 2.08 0.20 0.00 -0.52 0.00 0.00 52.55 54.99 1wku s ASP 248 Cb -0.28 -2.53 0.78 0.00 -1.46 0.00 0.00 42.92 39.42 1wku s ASP 248 CO 0.55 -0.90 1.78 1.05 0.52 0.00 0.00 175.17 178.18 1wku h GLU 249 N 9.25 0.00 -0.43 4.34 4.11 -1.90 -2.27 114.58 127.67 1wku h GLU 249 Ca -0.36 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 58.97 1wku h GLU 249 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1wku h GLU 249 CO 0.96 0.33 -0.15 0.87 0.07 0.00 0.00 179.01 181.10 1wku h LYS 250 N 0.00 0.87 -0.39 1.06 1.57 -1.90 0.95 116.57 118.72 1wku h LYS 250 Ca -0.00 -0.35 -0.06 0.00 -1.87 0.00 0.00 60.65 58.36 1wku h LYS 250 Cb 0.81 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1wku h LYS 250 CO 0.04 0.99 -0.00 0.00 -0.57 0.00 0.00 179.45 179.91 1wku h ALA 251 N 0.85 0.52 -0.52 3.86 0.00 -1.88 -1.32 119.26 120.76 1wku h ALA 251 Ca 0.10 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1wku h ALA 251 Cb 0.70 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1wku h ALA 251 CO 0.05 0.30 0.12 0.82 0.00 0.00 0.00 179.25 180.54 1wku h ILE 252 N 0.51 1.24 -0.95 0.00 2.04 -1.29 -2.13 117.51 116.92 1wku h ILE 252 Ca 0.11 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.10 1wku h ILE 252 Cb 0.47 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.31 1wku h ILE 252 CO 0.02 0.32 0.61 0.24 0.00 0.00 0.00 178.15 179.33 1wku h MET 253 N 0.73 1.27 0.00 2.37 2.86 -0.68 0.47 114.93 121.95 1wku h MET 253 Ca 0.16 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1wku h MET 253 Cb 0.34 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1wku h MET 253 CO 0.00 0.86 -0.03 1.15 1.06 0.00 0.00 176.91 179.95 1wku h THR 254 N 1.30 0.91 -0.13 2.22 2.02 -0.94 0.10 112.91 118.39 1wku h THR 254 Ca 0.35 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.51 1wku h THR 254 Cb -0.11 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1wku h THR 254 CO -0.07 0.00 0.01 0.22 0.37 0.00 0.00 175.52 176.05 1wku h TYR 255 N -0.06 0.24 -0.51 3.16 3.20 -1.03 -3.05 116.97 118.91 1wku h TYR 255 Ca 0.01 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1wku h TYR 255 Cb 0.08 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 1wku h TYR 255 CO -0.11 0.43 0.28 0.28 -1.64 0.00 0.00 178.16 177.40 1wku h VAL 256 N -0.02 1.16 -0.05 1.81 2.07 -0.82 -1.65 116.25 118.75 1wku h VAL 256 Ca 0.04 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.17 1wku h VAL 256 Cb 0.33 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1wku h VAL 256 CO 0.00 0.18 0.05 0.77 0.02 0.00 0.00 177.57 178.59 1wku h SER 257 N 0.71 0.00 0.04 0.57 4.64 -0.68 -0.46 113.55 118.36 1wku h SER 257 Ca 0.18 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.40 1wku h SER 257 Cb 0.03 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1wku h SER 257 CO -0.03 0.00 -0.30 0.00 -0.87 0.00 0.00 176.83 175.63 1wku h PHE 259 N 0.34 0.75 -0.02 0.00 -1.00 -1.15 -0.85 116.94 115.02 1wku h PHE 259 Ca 0.05 -0.29 0.00 0.00 2.81 0.00 0.00 57.97 60.54 1wku h PHE 259 Cb 0.71 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 40.13 1wku h PHE 259 CO 0.02 1.05 0.01 -0.92 -1.61 0.00 0.00 178.31 176.86 1wku h TYR 260 N 0.43 0.03 -0.05 -0.55 3.20 -1.15 -1.24 116.97 117.63 1wku h TYR 260 Ca -0.01 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.75 1wku h TYR 260 Cb 1.18 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.43 1wku h TYR 260 CO 0.05 0.02 -0.49 0.45 -1.64 0.00 0.00 178.16 176.55 1wku h HIS 261 N 0.02 0.15 -0.40 -3.82 3.86 -1.39 0.14 115.15 113.72 1wku h HIS 261 Ca 0.01 -0.05 -0.14 0.00 -1.16 0.00 0.00 60.37 59.03 1wku h HIS 261 Cb 0.00 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 1wku h HIS 261 CO -0.08 0.60 -0.30 0.00 0.86 0.00 0.00 177.93 179.01 1wku h ALA 262 N 1.40 0.70 0.00 2.45 0.00 -0.92 -3.16 119.26 119.73 1wku h ALA 262 Ca 0.00 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.39 1wku h ALA 262 Cb 0.91 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1wku h ALA 262 CO 0.07 0.67 -1.03 0.74 0.00 0.00 0.00 179.25 179.70 1wku h PHE 263 N 0.74 0.00 -0.38 0.00 0.05 -1.13 -3.34 116.94 112.89 1wku h PHE 263 Ca 0.08 0.00 -0.04 0.00 3.82 0.00 0.00 57.97 61.83 1wku h PHE 263 Cb 0.87 0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.80 1wku h PHE 263 CO 0.05 0.38 0.06 0.00 -0.18 0.00 0.00 178.31 178.62 1wku h ALA 264 N 1.62 1.41 0.39 2.45 0.00 -0.70 -3.23 119.26 121.20 1wku h ALA 264 Ca -0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1wku h ALA 264 Cb 1.36 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1wku h ALA 264 CO 0.04 0.42 -0.19 0.78 0.00 0.00 0.00 179.25 180.30 1wku h GLY 265 N 0.81 -0.55 0.56 0.00 0.00 -1.66 -3.51 103.07 98.72 1wku h GLY 265 Ca 0.12 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1wku h GLY 265 CO 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 176.54 176.34