#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdm n LYS 8 N 0.00 0.00 0.00 5.55 4.76 -1.26 -4.35 118.16 122.86 2wdm n LYS 8 Ca 0.00 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 2wdm n LYS 8 Cb 0.00 -0.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.71 2wdm n LYS 8 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2wdm n GLU 9 N -1.42 0.00 0.23 1.97 -0.58 -1.26 -0.78 120.64 118.80 2wdm n GLU 9 Ca 0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 2wdm n GLU 9 Cb 0.00 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.80 2wdm n GLU 9 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2wdm h LEU 10 N 0.00 -0.97 -0.88 -4.62 3.38 -1.95 -2.60 115.31 107.67 2wdm h LEU 10 Ca 0.00 0.07 0.20 0.00 0.09 0.00 0.00 57.88 58.24 2wdm h LEU 10 Cb 0.00 0.31 -0.16 0.00 0.09 0.00 0.00 40.66 40.90 2wdm h LEU 10 CO 0.00 -0.49 -0.10 -0.07 0.09 0.00 0.00 178.44 177.87 2wdm h LEU 11 N -0.75 -0.62 -0.07 1.67 3.38 -1.15 0.39 115.31 118.17 2wdm h LEU 11 Ca -0.05 0.25 0.02 0.00 0.09 0.00 0.00 57.88 58.19 2wdm h LEU 11 Cb 0.64 0.48 -0.05 0.00 0.09 0.00 0.00 40.66 41.82 2wdm h LEU 11 CO -0.02 -0.28 -0.47 -0.33 0.09 0.00 0.00 178.44 177.42 2wdm h GLU 12 N 0.03 -0.53 -0.92 1.13 5.08 -0.82 0.15 114.58 118.70 2wdm h GLU 12 Ca 0.47 0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.78 2wdm h GLU 12 Cb 0.81 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.13 2wdm h GLU 12 CO -0.85 -0.35 0.10 0.00 -1.00 0.00 0.00 179.01 176.90 2wdm n ALA 13 N -2.93 3.22 0.23 3.43 0.00 -0.36 -3.68 120.51 120.43 2wdm n ALA 13 Ca -0.06 -0.79 0.09 0.00 0.00 0.00 0.00 53.44 52.68 2wdm n ALA 13 Cb 0.34 -1.09 0.55 0.00 0.00 0.00 0.00 19.45 19.25 2wdm n ALA 13 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2wdm h GLY 14 N 3.93 0.00 0.00 0.00 0.00 0.27 -3.42 103.07 103.85 2wdm h GLY 14 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2wdm h GLY 14 CO 0.26 0.00 0.00 3.33 0.00 0.00 0.00 176.54 180.13 2wdm n VAL 15 N -3.73 0.00 -2.78 4.60 0.24 -1.26 -5.05 118.33 110.35 2wdm n VAL 15 Ca -0.01 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.18 2wdm n VAL 15 Cb 0.33 0.00 0.05 0.00 -1.47 0.00 0.00 33.84 32.75 2wdm n VAL 15 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2wdm n HIS 16 N 0.00 -0.45 -3.66 6.34 -0.00 -1.24 -4.27 115.22 111.94 2wdm n HIS 16 Ca 0.00 -2.70 -0.07 0.00 -0.00 0.00 0.00 57.72 54.95 2wdm n HIS 16 Cb 0.00 0.36 -0.08 0.00 -0.00 0.00 0.00 29.99 30.27 2wdm n HIS 16 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 2wdm s PHE 17 N -1.73 -0.98 0.00 4.41 -0.00 -1.26 -3.96 117.98 114.47 2wdm s PHE 17 Ca 0.28 1.91 0.00 0.00 -0.00 0.00 0.00 56.93 59.12 2wdm s PHE 17 Cb 0.40 0.55 0.00 0.00 -0.00 0.00 0.00 43.02 43.97 2wdm s PHE 17 CO -0.03 -0.50 0.00 0.41 -0.00 0.00 0.00 175.22 175.10 2wdm n GLY 18 N 4.55 2.26 0.00 1.99 0.00 -1.26 -4.74 105.19 108.00 2wdm n GLY 18 Ca -0.19 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.66 2wdm n GLY 18 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2wdm n HIS 19 N 1.72 0.00 -0.85 1.61 -0.00 -1.24 -4.60 115.22 111.87 2wdm n HIS 19 Ca 0.00 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 57.90 2wdm n HIS 19 Cb 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2wdm n HIS 19 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2wdm n GLU 20 N 0.00 0.00 -4.40 1.57 -0.58 -1.26 -2.98 120.64 112.98 2wdm n GLU 20 Ca 0.00 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.46 2wdm n GLU 20 Cb 0.00 -0.64 -0.17 0.00 -0.57 0.00 0.00 31.44 30.06 2wdm n GLU 20 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 2wdm s ARG 21 N -0.64 2.15 -1.42 3.49 1.70 -1.26 -3.69 118.95 119.27 2wdm s ARG 21 Ca 0.39 -0.53 -0.10 0.00 -0.47 0.00 0.00 55.73 55.01 2wdm s ARG 21 Cb -0.44 -1.86 0.04 0.00 -0.57 0.00 0.00 34.95 32.13 2wdm s ARG 21 CO 0.40 -0.08 1.04 1.63 -1.08 0.00 0.00 175.30 177.21 2wdm n LYS 22 N 4.26 -6.54 -0.48 3.89 4.76 -1.26 -4.71 118.16 118.08 2wdm n LYS 22 Ca -0.19 0.71 0.00 0.00 -2.87 0.00 0.00 58.31 55.96 2wdm n LYS 22 Cb 0.51 -5.65 0.00 0.00 -1.84 0.00 0.00 35.03 28.05 2wdm n LYS 22 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2wdm n ARG 23 N -4.75 0.00 0.00 1.97 1.74 -1.26 -5.11 116.66 109.25 2wdm n ARG 23 Ca -0.02 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.03 2wdm n ARG 23 Cb 0.56 -0.01 0.00 0.00 -1.02 0.00 0.00 32.46 31.99 2wdm n ARG 23 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 2wdm n TRP 24 N 0.00 -0.01 -3.29 -1.55 4.27 -1.26 -4.71 117.44 110.89 2wdm n TRP 24 Ca 0.00 0.00 -0.07 0.00 -3.89 0.00 0.00 57.50 53.54 2wdm n TRP 24 Cb 0.51 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.40 2wdm n TRP 24 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 2wdm s ASN 25 N -1.06 0.03 0.00 -0.67 3.84 -1.22 -4.90 114.94 110.97 2wdm s ASN 25 Ca 0.00 -0.06 0.00 0.00 0.21 0.00 0.00 52.86 53.01 2wdm s ASN 25 Cb 0.00 1.27 0.00 0.00 -0.55 0.00 0.00 41.25 41.97 2wdm s ASN 25 CO 0.00 -0.33 0.62 -0.81 -2.79 0.00 0.00 177.10 173.80 2wdm n PRO 26 N 5.37 0.00 0.12 0.43 -0.04 -1.26 0.20 135.00 139.82 2wdm n PRO 26 Ca -0.00 0.13 0.13 0.00 -0.04 0.00 0.00 63.50 63.71 2wdm n PRO 26 Cb 0.50 -1.87 0.36 0.00 -0.04 0.00 0.00 33.50 32.45 2wdm n PRO 26 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2wdm h LYS 27 N 0.00 0.00 -0.63 0.54 1.57 -1.95 -3.11 116.57 112.98 2wdm h LYS 27 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wdm h LYS 27 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2wdm h LYS 27 CO 0.00 0.00 0.00 0.34 -0.57 0.00 0.00 179.45 179.22 2wdm n PHE 28 N -2.40 1.67 0.29 -1.35 -0.00 0.13 -4.53 117.46 111.27 2wdm n PHE 28 Ca 0.05 -0.61 0.14 0.00 -0.00 0.00 0.00 57.45 57.03 2wdm n PHE 28 Cb 0.45 -0.36 0.68 0.00 -0.00 0.00 0.00 39.48 40.24 2wdm n PHE 28 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2wdm h ALA 29 N 3.94 1.00 0.11 3.13 0.00 -1.71 -2.94 119.26 122.79 2wdm h ALA 29 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 2wdm h ALA 29 Cb 1.63 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 2wdm h ALA 29 CO 0.34 0.00 -1.22 0.07 0.00 0.00 0.00 179.25 178.44 2wdm h ARG 30 N 0.00 0.23 -0.91 0.00 0.11 -1.88 -3.26 114.38 108.67 2wdm h ARG 30 Ca 0.00 -0.40 -0.19 0.00 0.10 0.00 0.00 59.98 59.49 2wdm h ARG 30 Cb 0.21 0.15 -0.11 0.00 1.11 0.00 0.00 29.97 31.32 2wdm h ARG 30 CO 0.00 1.19 0.24 0.66 0.10 0.00 0.00 179.97 182.16 2wdm n TYR 31 N -3.50 1.59 -4.25 4.08 0.53 -1.11 -4.87 117.16 109.63 2wdm n TYR 31 Ca -0.08 -0.97 -0.28 0.00 -1.02 0.00 0.00 57.90 55.55 2wdm n TYR 31 Cb 1.01 -0.54 -0.09 0.00 -1.03 0.00 0.00 39.34 38.68 2wdm n TYR 31 CO 0.00 0.00 0.00 -1.50 -1.02 0.00 0.00 176.86 174.34 2wdm s ILE 32 N -1.97 3.33 -0.02 -0.72 1.10 -1.23 -2.63 121.20 119.06 2wdm s ILE 32 Ca 0.33 -1.43 0.01 0.00 -0.51 0.00 0.00 60.65 59.05 2wdm s ILE 32 Cb 0.27 -2.60 -0.02 0.00 0.15 0.00 0.00 42.46 40.26 2wdm s ILE 32 CO 0.08 0.01 -0.01 0.00 -2.11 0.00 0.00 174.94 172.90 2wdm n TYR 33 N 0.38 0.00 -3.03 3.50 9.36 0.15 -4.50 117.16 123.03 2wdm n TYR 33 Ca -0.12 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.10 2wdm n TYR 33 Cb 0.54 -0.09 0.00 0.00 -0.63 0.00 0.00 39.34 39.16 2wdm n TYR 33 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wdm n ALA 34 N -2.39 0.00 -0.31 2.98 0.00 -1.09 -5.01 120.51 114.69 2wdm n ALA 34 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2wdm n ALA 34 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 2wdm n ALA 34 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2wdm n GLU 35 N 0.00 0.86 -0.43 0.00 2.13 -1.26 -1.71 120.64 120.23 2wdm n GLU 35 Ca 0.00 -0.05 -0.16 0.00 0.66 0.00 0.00 57.16 57.61 2wdm n GLU 35 Cb 0.00 -0.31 -0.02 0.00 0.27 0.00 0.00 31.44 31.38 2wdm n GLU 35 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2wdm n ARG 36 N -0.14 0.00 -3.62 5.31 3.00 -1.26 -1.73 116.66 118.22 2wdm n ARG 36 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 57.85 57.62 2wdm n ARG 36 Cb 0.08 -0.40 0.06 0.00 0.00 0.00 0.00 32.46 32.20 2wdm n ARG 36 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2wdm n ASN 37 N 0.48 -3.58 0.00 0.55 3.02 -1.26 -4.03 115.26 110.43 2wdm n ASN 37 Ca 0.06 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.94 2wdm n ASN 37 Cb 0.04 -4.66 0.00 0.00 -0.61 0.00 0.00 39.78 34.54 2wdm n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wdm n GLY 38 N -1.58 1.57 3.18 7.41 0.00 -0.71 -4.92 105.19 110.14 2wdm n GLY 38 Ca -0.15 0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 2wdm n GLY 38 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2wdm n ILE 39 N 0.00 0.02 -3.08 -0.61 5.41 -1.24 -4.72 119.36 115.14 2wdm n ILE 39 Ca 0.00 -0.50 -0.42 0.00 1.00 0.00 0.00 62.75 62.83 2wdm n ILE 39 Cb 0.00 -0.01 -0.06 0.00 -0.71 0.00 0.00 39.64 38.86 2wdm n ILE 39 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2wdm s HIS 40 N -2.00 3.09 -0.50 1.39 3.76 -1.16 -4.07 115.29 115.80 2wdm s HIS 40 Ca 0.52 0.17 -0.28 0.00 -0.15 0.00 0.00 55.06 55.32 2wdm s HIS 40 Cb -0.40 -3.32 -0.01 0.00 1.11 0.00 0.00 32.58 29.96 2wdm s HIS 40 CO 0.71 -0.79 1.69 0.42 -0.85 0.00 0.00 174.74 175.92 2wdm s ILE 41 N 2.87 3.55 0.05 0.60 1.09 -0.69 -3.61 121.20 125.06 2wdm s ILE 41 Ca 0.25 0.47 -0.30 0.00 -1.10 0.00 0.00 60.65 59.96 2wdm s ILE 41 Cb -0.14 -4.01 -0.05 0.00 -1.06 0.00 0.00 42.46 37.21 2wdm s ILE 41 CO 0.18 -0.82 1.07 -0.51 -0.10 0.00 0.00 174.94 174.75 2wdm s ILE 42 N 7.34 4.44 -0.34 2.92 2.07 -1.26 0.33 121.20 136.70 2wdm s ILE 42 Ca 0.66 1.80 -0.27 0.00 -1.41 0.00 0.00 60.65 61.43 2wdm s ILE 42 Cb -0.15 -4.15 -0.06 0.00 0.13 0.00 0.00 42.46 38.23 2wdm s ILE 42 CO 0.27 0.17 2.28 -0.62 -1.91 0.00 0.00 174.94 175.13 2wdm s ASP 43 N 0.82 5.05 0.11 4.50 2.15 -1.08 -4.74 116.67 123.48 2wdm s ASP 43 Ca 0.54 1.53 -0.24 0.00 0.43 0.00 0.00 52.55 54.82 2wdm s ASP 43 Cb -0.25 -2.51 -0.09 0.00 -0.30 0.00 0.00 42.92 39.77 2wdm s ASP 43 CO 0.29 -2.34 1.69 -0.07 -0.17 0.00 0.00 175.17 174.58 2wdm h LEU 44 N 16.91 -0.30 0.00 -1.34 4.07 -1.92 -3.14 115.31 129.59 2wdm h LEU 44 Ca -0.34 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.67 2wdm h LEU 44 Cb 1.25 0.13 0.00 0.00 1.08 0.00 0.00 40.66 43.12 2wdm h LEU 44 CO 1.04 -0.15 0.00 1.67 -1.08 0.00 0.00 178.44 179.92 2wdm n GLN 45 N -5.23 0.00 -0.41 1.13 7.27 -1.26 -1.50 117.38 117.37 2wdm n GLN 45 Ca -0.06 0.84 0.38 0.00 0.07 0.00 0.00 57.00 58.23 2wdm n GLN 45 Cb 0.16 -1.48 0.74 0.00 2.41 0.00 0.00 30.24 32.07 2wdm n GLN 45 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2wdm h LYS 46 N 0.00 0.04 -0.75 3.69 3.64 -1.98 0.79 116.57 122.00 2wdm h LYS 46 Ca 0.00 -0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.50 2wdm h LYS 46 Cb 0.00 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 2wdm h LYS 46 CO 0.00 0.03 0.50 1.15 -2.27 0.00 0.00 179.45 178.85 2wdm h THR 47 N 0.04 0.88 0.17 1.00 2.02 -1.21 -1.52 112.91 114.28 2wdm h THR 47 Ca 0.66 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.66 2wdm h THR 47 Cb 2.52 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 69.15 2wdm h THR 47 CO -0.06 0.10 -0.48 0.00 0.37 0.00 0.00 175.52 175.46 2wdm h MET 48 N 0.56 -0.72 0.00 6.66 -0.00 0.62 0.15 114.93 122.21 2wdm h MET 48 Ca 0.36 0.05 0.00 0.00 -0.00 0.00 0.00 59.70 60.11 2wdm h MET 48 Cb 0.62 0.16 0.00 0.00 -0.00 0.00 0.00 31.60 32.38 2wdm h MET 48 CO -0.13 -0.48 0.00 0.39 -0.00 0.00 0.00 176.91 176.69 2wdm n GLU 49 N -5.49 0.05 -0.06 -0.10 1.02 -0.65 -1.11 120.64 114.30 2wdm n GLU 49 Ca -0.08 0.29 -0.07 0.00 -0.02 0.00 0.00 57.16 57.28 2wdm n GLU 49 Cb 0.41 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.27 2wdm n GLU 49 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2wdm h GLU 50 N 0.00 0.00 0.00 3.49 4.39 0.01 -3.10 114.58 119.37 2wdm h GLU 50 Ca 0.00 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 2wdm h GLU 50 Cb 0.13 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2wdm h GLU 50 CO 0.00 0.45 -0.27 -0.07 -1.16 0.00 0.00 179.01 177.96 2wdm h LEU 51 N -1.00 0.00 0.00 1.33 4.07 -0.89 -2.46 115.31 116.36 2wdm h LEU 51 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 2wdm h LEU 51 Cb 0.50 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.24 2wdm h LEU 51 CO -0.01 0.27 0.00 1.21 -1.08 0.00 0.00 178.44 178.83 2wdm n GLU 52 N -4.05 0.00 0.17 1.13 2.13 -0.27 -0.33 120.64 119.42 2wdm n GLU 52 Ca -0.02 0.66 0.16 0.00 0.66 0.00 0.00 57.16 58.62 2wdm n GLU 52 Cb 0.33 -1.48 0.76 0.00 0.27 0.00 0.00 31.44 31.33 2wdm n GLU 52 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2wdm h ARG 53 N 0.00 0.00 0.16 5.31 2.43 -1.53 -2.67 114.38 118.07 2wdm h ARG 53 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2wdm h ARG 53 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2wdm h ARG 53 CO 0.00 0.00 -0.07 1.15 -1.51 0.00 0.00 179.97 179.54 2wdm h THR 54 N 0.00 0.00 0.00 0.20 2.02 -0.80 -2.97 112.91 111.35 2wdm h THR 54 Ca 0.11 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.26 2wdm h THR 54 Cb 0.50 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2wdm h THR 54 CO -0.00 0.00 0.21 -0.26 0.37 0.00 0.00 175.52 175.84 2wdm h PHE 55 N -0.23 0.00 -0.13 3.16 0.04 -0.59 0.86 116.94 120.04 2wdm h PHE 55 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2wdm h PHE 55 Cb 0.16 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 2wdm h PHE 55 CO 0.16 0.00 0.08 0.00 -0.60 0.00 0.00 178.31 177.95 2wdm h ARG 56 N 0.00 0.16 0.00 1.51 2.47 -1.33 0.76 114.38 117.95 2wdm h ARG 56 Ca 0.00 -0.01 -0.15 0.00 -1.26 0.00 0.00 59.98 58.56 2wdm h ARG 56 Cb 0.42 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.69 2wdm h ARG 56 CO 0.00 0.11 -0.72 0.35 0.56 0.00 0.00 179.97 180.27 2wdm h PHE 57 N 0.16 0.00 0.14 3.04 3.57 0.68 -1.90 116.94 122.63 2wdm h PHE 57 Ca 0.05 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 2wdm h PHE 57 Cb -0.01 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.73 2wdm h PHE 57 CO -0.08 0.72 -0.07 0.82 -2.23 0.00 0.00 178.31 177.48 2wdm h ILE 58 N 0.00 0.00 -0.20 1.41 1.08 0.16 -3.20 117.51 116.76 2wdm h ILE 58 Ca -0.01 -0.11 0.05 0.00 -0.39 0.00 0.00 64.86 64.41 2wdm h ILE 58 Cb 1.39 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 35.08 2wdm h ILE 58 CO 0.09 0.00 -0.20 -0.08 -0.69 0.00 0.00 178.15 177.28 2wdm h GLU 59 N -0.29 -0.20 -2.24 2.37 4.81 0.38 -0.84 114.58 118.57 2wdm h GLU 59 Ca -0.02 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 2wdm h GLU 59 Cb 0.14 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 2wdm h GLU 59 CO 0.03 -0.14 -0.10 -3.47 -0.73 0.00 0.00 179.01 174.61 2wdm n ASP 60 N -5.34 3.69 0.00 1.04 4.64 -0.71 -2.08 116.55 117.79 2wdm n ASP 60 Ca -0.01 -2.15 0.00 0.00 -1.38 0.00 0.00 54.79 51.25 2wdm n ASP 60 Cb 0.26 -0.96 0.00 0.00 -1.04 0.00 0.00 41.12 39.38 2wdm n ASP 60 CO 0.00 0.00 0.00 -0.11 -0.82 0.00 0.00 177.20 176.27 2wdm n LEU 61 N 2.45 0.00 -0.09 -2.67 7.94 -0.64 -4.79 117.00 119.19 2wdm n LEU 61 Ca 0.24 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 55.07 2wdm n LEU 61 Cb 0.59 0.41 0.10 0.00 0.53 0.00 0.00 43.42 45.05 2wdm n LEU 61 CO 0.13 -0.45 0.74 0.00 -1.11 0.00 0.00 177.39 176.70 2wdm h ALA 62 N 0.00 0.92 0.00 1.96 0.00 -0.73 1.22 119.26 122.64 2wdm h ALA 62 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2wdm h ALA 62 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2wdm h ALA 62 CO 0.00 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.87 2wdm n MET 63 N -4.13 0.07 -0.05 0.00 0.00 -0.88 -3.19 117.12 108.94 2wdm n MET 63 Ca 0.01 0.10 0.01 0.00 0.00 0.00 0.00 57.70 57.82 2wdm n MET 63 Cb 0.40 -1.50 0.04 0.00 0.00 0.00 0.00 33.22 32.16 2wdm n MET 63 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 175.97 178.86 2wdm n ARG 64 N -1.45 2.95 -0.09 3.17 1.85 -0.91 -4.98 116.66 117.20 2wdm n ARG 64 Ca 0.07 -1.64 0.00 0.00 -1.00 0.00 0.00 57.85 55.28 2wdm n ARG 64 Cb 0.25 -1.07 0.00 0.00 -1.05 0.00 0.00 32.46 30.59 2wdm n ARG 64 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2wdm n GLY 65 N -0.23 0.51 3.53 2.89 0.00 -0.86 -5.01 105.19 106.02 2wdm n GLY 65 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 2wdm n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdm n GLY 66 N -2.00 -0.10 3.77 -0.02 0.00 0.42 -4.91 105.19 102.34 2wdm n GLY 66 Ca 0.00 0.75 -0.38 0.00 0.00 0.00 0.00 46.02 46.39 2wdm n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wdm s THR 67 N 10.79 2.81 0.12 2.61 -4.23 -1.26 -4.49 115.64 121.98 2wdm s THR 67 Ca 1.12 0.66 0.08 0.00 -1.18 0.00 0.00 61.69 62.36 2wdm s THR 67 Cb -0.56 -3.36 -0.04 0.00 1.34 0.00 0.00 72.50 69.88 2wdm s THR 67 CO 0.34 0.05 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.65 2wdm s ILE 68 N -1.38 1.63 -0.27 2.99 -1.09 -1.26 -2.24 121.20 119.58 2wdm s ILE 68 Ca 0.61 -1.65 0.01 0.00 -2.23 0.00 0.00 60.65 57.39 2wdm s ILE 68 Cb -0.34 -1.59 0.08 0.00 -1.58 0.00 0.00 42.46 39.03 2wdm s ILE 68 CO 0.42 -0.20 0.01 -0.22 -1.23 0.00 0.00 174.94 173.72 2wdm s LEU 69 N -2.19 2.89 0.21 2.97 1.98 -1.15 -3.26 118.68 120.14 2wdm s LEU 69 Ca 0.09 -1.48 -0.27 0.00 -2.89 0.00 0.00 54.13 49.58 2wdm s LEU 69 Cb -0.08 -1.18 -0.09 0.00 0.66 0.00 0.00 46.19 45.51 2wdm s LEU 69 CO 0.05 -0.31 0.86 -0.36 -1.89 0.00 0.00 176.35 174.69 2wdm s PHE 70 N 1.36 3.94 -0.09 5.38 0.40 -0.81 -1.85 117.98 126.31 2wdm s PHE 70 Ca 0.02 1.77 0.00 0.00 -0.60 0.00 0.00 56.93 58.12 2wdm s PHE 70 Cb -0.18 -2.87 0.02 0.00 0.51 0.00 0.00 43.02 40.50 2wdm s PHE 70 CO -0.11 0.48 -0.07 0.08 0.70 0.00 0.00 175.22 176.29 2wdm s VAL 71 N -1.19 0.93 -0.38 -0.44 1.01 0.51 0.69 120.40 121.53 2wdm s VAL 71 Ca 0.39 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 62.17 2wdm s VAL 71 Cb -0.24 -0.94 0.18 0.00 0.00 0.00 0.00 36.38 35.38 2wdm s VAL 71 CO 0.29 0.34 0.63 -0.83 0.00 0.00 0.00 175.10 175.53 2wdm s GLY 72 N 1.46 -1.27 0.28 4.51 0.00 -0.31 -1.57 107.32 110.40 2wdm s GLY 72 Ca -0.00 0.44 0.22 0.00 0.00 0.00 0.00 44.72 45.38 2wdm s GLY 72 CO -0.05 3.69 1.23 -0.91 0.00 0.00 0.00 173.10 177.06 2wdm h THR 73 N 5.17 0.05 -3.89 0.90 1.35 -1.77 -3.38 112.91 111.35 2wdm h THR 73 Ca 0.03 -1.08 -0.49 0.00 -0.55 0.00 0.00 66.41 64.33 2wdm h THR 73 Cb 1.18 1.71 0.01 0.00 -1.73 0.00 0.00 68.15 69.32 2wdm h THR 73 CO 0.11 0.03 0.41 -1.59 -0.25 0.00 0.00 175.52 174.22 2wdm s LYS 74 N -3.28 4.43 0.09 4.72 -2.85 -1.26 -4.84 119.74 116.74 2wdm s LYS 74 Ca 0.02 1.56 -0.24 0.00 -1.00 0.00 0.00 55.97 56.31 2wdm s LYS 74 Cb 0.08 -2.83 -0.15 0.00 -2.06 0.00 0.00 37.83 32.86 2wdm s LYS 74 CO 0.75 0.09 1.73 0.87 0.10 0.00 0.00 175.35 178.88 2wdm h LYS 75 N 3.13 -0.11 -1.33 1.78 1.79 -1.95 -1.56 116.57 118.32 2wdm h LYS 75 Ca -0.47 0.01 0.39 0.00 -2.18 0.00 0.00 60.65 58.40 2wdm h LYS 75 Cb 1.21 0.03 -0.08 0.00 -1.58 0.00 0.00 32.23 31.80 2wdm h LYS 75 CO 0.65 -0.08 0.91 1.96 -1.08 0.00 0.00 179.45 181.81 2wdm h GLN 76 N -0.12 0.11 -2.00 3.15 4.20 -1.95 -0.92 115.11 117.58 2wdm h GLN 76 Ca -0.01 -0.01 -0.51 0.00 0.06 0.00 0.00 58.65 58.18 2wdm h GLN 76 Cb 0.09 -0.02 -0.41 0.00 0.30 0.00 0.00 27.48 27.44 2wdm h GLN 76 CO 0.02 0.07 -1.00 0.00 -0.67 0.00 0.00 178.83 177.25 2wdm n ALA 77 N -2.67 3.07 -1.94 3.87 0.00 -1.09 -4.05 120.51 117.71 2wdm n ALA 77 Ca 0.32 -3.83 0.00 0.00 0.00 0.00 0.00 53.44 49.93 2wdm n ALA 77 Cb 1.35 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2wdm n ALA 77 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2wdm n GLN 78 N 0.06 0.00 -0.20 0.00 7.27 -0.35 -4.46 117.38 119.69 2wdm n GLN 78 Ca 0.26 0.00 0.20 0.00 0.07 0.00 0.00 57.00 57.53 2wdm n GLN 78 Cb 0.59 0.00 0.55 0.00 2.41 0.00 0.00 30.24 33.79 2wdm n GLN 78 CO 0.00 0.00 0.00 0.38 0.07 0.00 0.00 177.06 177.51 2wdm h ASP 79 N 0.00 0.32 -0.09 1.69 2.03 -1.87 0.46 116.42 118.96 2wdm h ASP 79 Ca 0.00 0.03 0.03 0.00 -0.73 0.00 0.00 57.03 56.35 2wdm h ASP 79 Cb 0.00 -0.03 -0.00 0.00 -0.83 0.00 0.00 39.33 38.47 2wdm h ASP 79 CO 0.00 0.14 0.10 -0.29 -1.03 0.00 0.00 179.24 178.16 2wdm h ILE 80 N 0.32 0.47 0.00 4.15 2.10 -1.90 0.83 117.51 123.48 2wdm h ILE 80 Ca 0.43 0.00 -0.20 0.00 1.08 0.00 0.00 64.86 66.17 2wdm h ILE 80 Cb 1.17 0.91 -0.03 0.00 -1.09 0.00 0.00 36.82 37.79 2wdm h ILE 80 CO -0.13 0.00 -0.96 0.58 -1.08 0.00 0.00 178.15 176.56 2wdm h VAL 81 N 0.00 1.55 0.14 2.19 2.07 -0.30 -3.18 116.25 118.71 2wdm h VAL 81 Ca 0.04 -3.21 -0.01 0.00 0.82 0.00 0.00 66.70 64.34 2wdm h VAL 81 Cb 0.25 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 2wdm h VAL 81 CO -0.00 0.88 -0.07 -0.09 0.02 0.00 0.00 177.57 178.32 2wdm h ARG 82 N 0.00 -0.18 0.00 1.57 2.43 0.85 -2.62 114.38 116.44 2wdm h ARG 82 Ca -0.02 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2wdm h ARG 82 Cb 1.72 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.31 2wdm h ARG 82 CO 0.12 -0.00 0.00 -1.33 -1.51 0.00 0.00 179.97 177.25 2wdm n MET 83 N -5.11 0.00 -0.17 0.20 2.81 -0.26 -0.40 117.12 114.19 2wdm n MET 83 Ca -0.09 0.25 0.29 0.00 -1.81 0.00 0.00 57.70 56.34 2wdm n MET 83 Cb 0.15 -1.01 0.63 0.00 -0.71 0.00 0.00 33.22 32.28 2wdm n MET 83 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2wdm h GLU 84 N 0.00 0.00 0.12 0.03 4.39 -1.68 0.14 114.58 117.57 2wdm h GLU 84 Ca 0.00 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.52 2wdm h GLU 84 Cb 0.00 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2wdm h GLU 84 CO 0.00 0.00 -0.83 0.00 -1.16 0.00 0.00 179.01 177.02 2wdm h ALA 85 N 1.03 -0.04 -0.55 3.43 0.00 -1.17 -3.30 119.26 118.66 2wdm h ALA 85 Ca 0.44 -0.75 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 2wdm h ALA 85 Cb 2.29 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 20.22 2wdm h ALA 85 CO -0.00 0.41 0.07 0.93 0.00 0.00 0.00 179.25 180.65 2wdm h GLU 86 N -0.44 0.88 -2.18 0.00 5.08 0.16 0.85 114.58 118.94 2wdm h GLU 86 Ca -0.16 -0.22 -0.13 0.00 -1.00 0.00 0.00 59.36 57.85 2wdm h GLU 86 Cb 1.59 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.68 2wdm h GLU 86 CO 0.12 0.84 -0.18 -2.13 -1.00 0.00 0.00 179.01 176.65 2wdm n ARG 87 N -4.23 1.49 0.00 2.33 0.00 0.23 0.34 116.66 116.82 2wdm n ARG 87 Ca 0.03 -0.70 0.00 0.00 -0.00 0.00 0.00 57.85 57.19 2wdm n ARG 87 Cb 0.28 -1.80 0.00 0.00 0.00 0.00 0.00 32.46 30.94 2wdm n ARG 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2wdm n ALA 88 N 2.48 0.00 -3.69 5.13 0.00 -1.07 -4.93 120.51 118.43 2wdm n ALA 88 Ca 0.30 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.46 2wdm n ALA 88 Cb 0.69 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.08 2wdm n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdm n GLY 89 N 0.00 -0.22 3.79 0.00 0.00 0.15 -4.92 105.19 103.99 2wdm n GLY 89 Ca 0.00 0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 2wdm n GLY 89 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wdm s MET 90 N -5.61 3.20 0.38 1.61 -1.94 -1.01 -4.96 119.30 110.96 2wdm s MET 90 Ca 0.41 -0.31 -0.23 0.00 -1.71 0.00 0.00 55.69 53.86 2wdm s MET 90 Cb -0.24 -2.98 -0.14 0.00 2.01 0.00 0.00 34.83 33.48 2wdm s MET 90 CO 0.72 0.72 0.40 -2.30 -0.01 0.00 0.00 175.02 174.55 2wdm n PRO 91 N 1.82 0.33 -3.87 2.03 -0.02 -1.20 -4.74 135.00 129.35 2wdm n PRO 91 Ca -0.18 0.12 -0.10 0.00 -2.02 0.00 0.00 63.50 61.32 2wdm n PRO 91 Cb 0.54 -1.28 0.00 0.00 -0.02 0.00 0.00 33.50 32.75 2wdm n PRO 91 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 2wdm s TYR 92 N -1.46 0.28 -0.04 6.00 -0.85 0.12 -1.93 117.35 119.46 2wdm s TYR 92 Ca 0.62 -0.84 -0.02 0.00 -0.52 0.00 0.00 57.07 56.31 2wdm s TYR 92 Cb -0.66 0.63 0.03 0.00 0.38 0.00 0.00 41.96 42.34 2wdm s TYR 92 CO 0.59 -1.44 0.07 0.08 -1.52 0.00 0.00 175.55 173.34 2wdm s VAL 93 N -2.68 -0.12 -0.03 -3.49 1.01 0.22 -3.63 120.40 111.69 2wdm s VAL 93 Ca 0.18 0.38 0.10 0.00 0.00 0.00 0.00 61.98 62.64 2wdm s VAL 93 Cb -0.04 -0.16 -0.15 0.00 0.00 0.00 0.00 36.38 36.02 2wdm s VAL 93 CO 0.13 0.16 0.19 -3.20 0.00 0.00 0.00 175.10 172.38 2wdm n ASN 94 N 5.09 2.64 0.00 3.32 2.85 -1.26 -1.16 115.26 126.74 2wdm n ASN 94 Ca -0.08 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.39 2wdm n ASN 94 Cb 0.50 1.35 0.00 0.00 1.24 0.00 0.00 39.78 42.87 2wdm n ASN 94 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2wdm n GLN 95 N -1.94 3.69 -1.65 1.20 1.13 -1.26 -4.39 117.38 114.16 2wdm n GLN 95 Ca -0.04 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.60 2wdm n GLN 95 Cb 0.36 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.68 2wdm n GLN 95 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2wdm n ARG 96 N 0.00 2.73 -1.58 -1.09 3.00 -1.26 -4.54 116.66 113.92 2wdm n ARG 96 Ca 0.00 0.97 -0.40 0.00 -0.01 0.00 0.00 57.85 58.41 2wdm n ARG 96 Cb 0.00 -3.05 -0.04 0.00 0.00 0.00 0.00 32.46 29.36 2wdm n ARG 96 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.63 179.50 2wdm n TRP 97 N 8.25 2.61 -0.91 -1.55 -0.00 -1.26 -4.94 117.44 119.63 2wdm n TRP 97 Ca 0.22 -2.03 -0.30 0.00 -0.00 0.00 0.00 57.50 55.39 2wdm n TRP 97 Cb 0.42 -2.14 -0.00 0.00 -0.00 0.00 0.00 31.31 29.59 2wdm n TRP 97 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 2wdm n LEU 98 N 8.81 -2.00 -4.65 5.87 4.77 -1.26 -4.85 117.00 123.70 2wdm n LEU 98 Ca 0.49 0.57 -0.43 0.00 -0.03 0.00 0.00 56.01 56.61 2wdm n LEU 98 Cb 0.42 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 40.87 2wdm n LEU 98 CO 0.91 -2.94 0.95 -0.83 -1.33 0.00 0.00 177.39 174.16 2wdm s GLY 99 N -0.70 1.63 0.00 -0.72 0.00 -1.26 -3.16 107.32 103.11 2wdm s GLY 99 Ca 0.42 0.10 0.00 0.00 0.00 0.00 0.00 44.72 45.24 2wdm s GLY 99 CO 0.44 2.25 0.00 0.61 0.00 0.00 0.00 173.10 176.40 2wdm n GLY 100 N 3.59 0.91 0.13 0.20 0.00 -1.26 -4.83 105.19 103.92 2wdm n GLY 100 Ca 0.12 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.19 2wdm n GLY 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2wdm n MET 101 N -1.45 0.07 0.05 1.61 0.00 -1.19 0.53 117.12 116.74 2wdm n MET 101 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 57.70 58.20 2wdm n MET 101 Cb 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 33.22 31.22 2wdm n MET 101 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2wdm n LEU 102 N -1.87 0.12 -0.27 4.03 4.32 -1.26 -4.34 117.00 117.73 2wdm n LEU 102 Ca -0.01 0.17 -0.04 0.00 -0.02 0.00 0.00 56.01 56.10 2wdm n LEU 102 Cb 0.30 0.07 0.06 0.00 -1.62 0.00 0.00 43.42 42.23 2wdm n LEU 102 CO 0.04 -0.52 1.18 0.74 -1.22 0.00 0.00 177.39 177.61 2wdm h THR 103 N 0.00 1.18 -0.58 -5.08 2.02 -1.83 -1.97 112.91 106.64 2wdm h THR 103 Ca 0.00 -0.34 -0.39 0.00 0.77 0.00 0.00 66.41 66.45 2wdm h THR 103 Cb 0.20 0.10 -0.26 0.00 -1.74 0.00 0.00 68.15 66.45 2wdm h THR 103 CO 0.00 0.18 -0.27 -3.20 0.37 0.00 0.00 175.52 172.60 2wdm n ASN 104 N -4.58 4.21 -0.13 4.18 5.15 0.18 -4.77 115.26 119.49 2wdm n ASN 104 Ca 0.07 -3.79 -0.05 0.00 -0.60 0.00 0.00 54.58 50.21 2wdm n ASN 104 Cb 0.02 -0.56 0.02 0.00 -0.53 0.00 0.00 39.78 38.73 2wdm n ASN 104 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 2wdm h PHE 105 N 1.64 -0.51 -0.99 1.20 3.57 0.89 -1.39 116.94 121.35 2wdm h PHE 105 Ca 0.32 0.05 0.36 0.00 3.53 0.00 0.00 57.97 62.23 2wdm h PHE 105 Cb 1.42 0.29 -0.17 0.00 2.79 0.00 0.00 35.95 40.28 2wdm h PHE 105 CO 1.01 -0.29 0.41 -0.22 -2.23 0.00 0.00 178.31 176.99 2wdm h LYS 106 N -0.12 0.07 0.00 1.11 3.64 -1.85 0.37 116.57 119.79 2wdm h LYS 106 Ca 0.21 -0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.37 2wdm h LYS 106 Cb 0.44 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 2wdm h LYS 106 CO -0.51 0.04 -1.54 2.41 -2.27 0.00 0.00 179.45 177.58 2wdm n THR 107 N -5.27 1.33 0.37 1.00 -1.04 -0.61 -3.32 114.28 106.74 2wdm n THR 107 Ca 0.33 -0.73 0.14 0.00 -2.04 0.00 0.00 64.05 61.74 2wdm n THR 107 Cb 1.08 -0.83 0.53 0.00 -1.82 0.00 0.00 70.33 69.29 2wdm n THR 107 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2wdm h ILE 108 N 0.00 0.00 0.12 12.58 1.08 0.04 -2.47 117.51 128.86 2wdm h ILE 108 Ca -0.21 -0.39 -0.28 0.00 -0.39 0.00 0.00 64.86 63.58 2wdm h ILE 108 Cb 1.74 1.26 0.01 0.00 -3.07 0.00 0.00 36.82 36.77 2wdm h ILE 108 CO 0.06 0.00 -1.22 0.28 -0.69 0.00 0.00 178.15 176.57 2wdm h SER 109 N 0.00 0.60 0.04 1.72 0.02 -0.42 -3.17 113.55 112.34 2wdm h SER 109 Ca 0.00 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 2wdm h SER 109 Cb 0.49 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.84 2wdm h SER 109 CO 0.00 1.43 0.00 0.00 -1.14 0.00 0.00 176.83 177.12 2wdm n GLN 110 N -3.65 0.04 -0.08 3.45 6.02 -0.93 -0.42 117.38 121.81 2wdm n GLN 110 Ca -0.10 0.21 -0.08 0.00 -0.01 0.00 0.00 57.00 57.02 2wdm n GLN 110 Cb 0.99 -1.50 -0.16 0.00 1.02 0.00 0.00 30.24 30.60 2wdm n GLN 110 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2wdm n ARG 111 N -1.23 0.68 0.08 -1.09 5.12 -1.20 -3.45 116.66 115.58 2wdm n ARG 111 Ca 0.01 0.02 -0.10 0.00 -1.93 0.00 0.00 57.85 55.85 2wdm n ARG 111 Cb 0.02 -1.56 -0.02 0.00 -1.16 0.00 0.00 32.46 29.74 2wdm n ARG 111 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2wdm h VAL 112 N 0.00 1.47 -0.00 1.55 2.07 -0.83 -2.14 116.25 118.36 2wdm h VAL 112 Ca -0.47 -2.57 -0.10 0.00 0.82 0.00 0.00 66.70 64.38 2wdm h VAL 112 Cb 2.11 2.45 -0.01 0.00 -1.52 0.00 0.00 31.29 34.31 2wdm h VAL 112 CO 0.03 0.75 -0.48 -0.74 0.02 0.00 0.00 177.57 177.15 2wdm h HIS 113 N 0.14 0.01 -0.00 1.57 -0.00 -1.44 -2.02 115.15 113.40 2wdm h HIS 113 Ca -0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 2wdm h HIS 113 Cb 1.53 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.94 2wdm h HIS 113 CO 0.04 0.49 -0.12 -2.13 -0.00 0.00 0.00 177.93 176.21 2wdm n ARG 114 N -3.96 0.66 0.05 5.26 3.00 -1.12 -1.88 116.66 118.66 2wdm n ARG 114 Ca -0.02 -0.23 -0.18 0.00 -0.00 0.00 0.00 57.85 57.42 2wdm n ARG 114 Cb 0.50 -1.50 -0.14 0.00 0.00 0.00 0.00 32.46 31.32 2wdm n ARG 114 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2wdm h LEU 115 N 0.57 0.40 0.00 6.15 5.85 -0.70 -3.10 115.31 124.49 2wdm h LEU 115 Ca 0.00 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 58.08 2wdm h LEU 115 Cb 0.37 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.27 2wdm h LEU 115 CO 0.00 1.54 -0.41 1.05 -0.34 0.00 0.00 178.44 180.28 2wdm h GLU 116 N 0.07 0.00 -0.19 1.25 4.11 -1.45 0.77 114.58 119.14 2wdm h GLU 116 Ca -0.30 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 58.92 2wdm h GLU 116 Cb 2.04 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.29 2wdm h GLU 116 CO 0.14 0.00 -0.69 0.93 0.07 0.00 0.00 179.01 179.46 2wdm h GLU 117 N 0.00 0.78 0.00 1.06 5.08 -1.48 -2.14 114.58 117.88 2wdm h GLU 117 Ca 0.00 -0.58 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 2wdm h GLU 117 Cb 0.98 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.34 2wdm h GLU 117 CO 0.00 1.20 -0.52 1.28 -1.00 0.00 0.00 179.01 179.97 2wdm n LEU 118 N -3.95 0.55 0.05 1.33 4.77 -1.17 -2.88 117.00 115.70 2wdm n LEU 118 Ca -0.06 0.15 -0.07 0.00 -0.03 0.00 0.00 56.01 56.00 2wdm n LEU 118 Cb 0.70 -0.24 0.09 0.00 -2.33 0.00 0.00 43.42 41.64 2wdm n LEU 118 CO 0.52 0.03 0.48 -0.08 -1.33 0.00 0.00 177.39 177.00 2wdm h GLU 119 N 0.00 0.38 0.42 3.23 4.57 -0.59 -1.84 114.58 120.74 2wdm h GLU 119 Ca 0.00 -0.25 -0.02 0.00 -1.18 0.00 0.00 59.36 57.91 2wdm h GLU 119 Cb 0.61 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 2wdm h GLU 119 CO 0.00 0.85 -0.20 0.00 -1.18 0.00 0.00 179.01 178.48 2wdm h ALA 120 N 1.09 -0.59 0.00 2.92 0.00 -1.36 -2.99 119.26 118.33 2wdm h ALA 120 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2wdm h ALA 120 Cb 1.10 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2wdm h ALA 120 CO 0.10 -0.55 0.16 -0.11 0.00 0.00 0.00 179.25 178.85 2wdm n LEU 121 N -4.95 0.07 0.21 0.00 0.00 -1.14 -2.22 117.00 108.98 2wdm n LEU 121 Ca -0.07 0.40 -0.08 0.00 0.00 0.00 0.00 56.01 56.25 2wdm n LEU 121 Cb 0.22 -0.40 -0.04 0.00 0.00 0.00 0.00 43.42 43.20 2wdm n LEU 121 CO 0.17 -0.42 0.45 0.15 0.00 0.00 0.00 177.39 177.74 2wdm h PHE 122 N 0.00 -0.51 -1.21 1.96 3.57 -1.17 -3.31 116.94 116.27 2wdm h PHE 122 Ca 0.00 -0.01 -0.68 0.00 3.53 0.00 0.00 57.97 60.81 2wdm h PHE 122 Cb 0.31 0.17 -0.31 0.00 2.79 0.00 0.00 35.95 38.91 2wdm h PHE 122 CO 0.00 -0.32 0.59 0.00 -2.23 0.00 0.00 178.31 176.35 2wdm n ALA 123 N -2.32 6.13 -2.51 2.41 0.00 -0.94 -4.95 120.51 118.33 2wdm n ALA 123 Ca -0.07 -3.71 -0.25 0.00 0.00 0.00 0.00 53.44 49.41 2wdm n ALA 123 Cb 0.22 -1.55 -0.10 0.00 0.00 0.00 0.00 19.45 18.02 2wdm n ALA 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wdm s SER 124 N -2.01 3.85 0.00 0.00 0.15 -1.15 -5.00 113.70 109.55 2wdm s SER 124 Ca 0.59 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 56.42 2wdm s SER 124 Cb 0.47 -0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 2wdm s SER 124 CO -0.10 0.07 0.37 -0.81 1.20 0.00 0.00 173.24 173.96 2wdm n PRO 125 N -0.30 0.41 -0.01 5.44 -0.04 -1.26 -2.66 135.00 136.59 2wdm n PRO 125 Ca -0.08 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.51 2wdm n PRO 125 Cb 0.58 -1.05 0.71 0.00 -0.04 0.00 0.00 33.50 33.70 2wdm n PRO 125 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wdm n GLU 126 N -0.33 1.19 0.00 0.54 1.02 -1.26 -2.66 120.64 119.15 2wdm n GLU 126 Ca 0.00 -0.28 0.14 0.00 -0.02 0.00 0.00 57.16 57.00 2wdm n GLU 126 Cb 0.02 -1.43 0.54 0.00 -0.02 0.00 0.00 31.44 30.55 2wdm n GLU 126 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2wdm n ILE 127 N -0.60 0.00 0.05 -3.67 2.08 -1.09 -3.68 119.36 112.46 2wdm n ILE 127 Ca 0.20 -0.20 -0.03 0.00 0.56 0.00 0.00 62.75 63.28 2wdm n ILE 127 Cb 0.16 0.36 0.22 0.00 -0.75 0.00 0.00 39.64 39.63 2wdm n ILE 127 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 2wdm h GLU 128 N 1.84 0.39 0.00 0.38 4.57 -1.78 -3.43 114.58 116.55 2wdm h GLU 128 Ca 0.00 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.02 2wdm h GLU 128 Cb 0.45 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2wdm h GLU 128 CO 0.00 0.66 0.00 0.39 -1.18 0.00 0.00 179.01 178.88 2wdm n GLU 129 N -4.10 0.00 -2.99 1.92 4.71 -1.24 -5.02 120.64 113.92 2wdm n GLU 129 Ca -0.01 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.12 2wdm n GLU 129 Cb 0.42 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.86 2wdm n GLU 129 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2wdm n ARG 130 N 0.00 -0.30 -1.54 3.49 5.12 -1.26 -4.67 116.66 117.50 2wdm n ARG 130 Ca 0.00 0.73 -0.47 0.00 -1.93 0.00 0.00 57.85 56.17 2wdm n ARG 130 Cb 0.00 -0.94 -0.03 0.00 -1.16 0.00 0.00 32.46 30.33 2wdm n ARG 130 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2wdm n PRO 131 N 1.16 0.93 0.17 5.56 -0.04 -1.26 -4.42 135.00 137.10 2wdm n PRO 131 Ca -0.00 0.33 0.03 0.00 -0.04 0.00 0.00 63.50 63.82 2wdm n PRO 131 Cb 0.47 -1.67 0.16 0.00 -0.04 0.00 0.00 33.50 32.42 2wdm n PRO 131 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2wdm h LYS 132 N 2.30 0.00 0.00 0.54 3.64 -1.98 0.87 116.57 121.94 2wdm h LYS 132 Ca -0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2wdm h LYS 132 Cb 1.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 2wdm h LYS 132 CO 0.63 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 179.44 2wdm n LYS 133 N -1.91 0.01 0.00 1.90 4.76 -1.26 -2.42 118.16 119.24 2wdm n LYS 133 Ca -0.00 0.30 0.00 0.00 -2.87 0.00 0.00 58.31 55.73 2wdm n LYS 133 Cb 0.58 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 2wdm n LYS 133 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2wdm n GLU 134 N -1.49 1.21 0.00 1.97 -0.58 0.30 -4.23 120.64 117.82 2wdm n GLU 134 Ca 0.03 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.80 2wdm n GLU 134 Cb 0.13 -0.97 0.15 0.00 -0.57 0.00 0.00 31.44 30.18 2wdm n GLU 134 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2wdm n GLN 135 N -1.53 0.10 0.00 3.49 6.02 -1.02 -0.91 117.38 123.53 2wdm n GLN 135 Ca 0.00 0.20 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 2wdm n GLN 135 Cb 0.12 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.88 2wdm n GLN 135 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2wdm n VAL 136 N -1.25 0.00 0.21 5.09 0.31 -1.24 -4.29 118.33 117.16 2wdm n VAL 136 Ca 0.03 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.27 2wdm n VAL 136 Cb 0.04 -0.22 -0.04 0.00 -0.91 0.00 0.00 33.84 32.71 2wdm n VAL 136 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2wdm h ARG 137 N 0.00 -0.57 -0.14 5.55 1.12 -1.61 0.51 114.38 119.24 2wdm h ARG 137 Ca 0.00 0.04 -0.03 0.00 -1.11 0.00 0.00 59.98 58.88 2wdm h ARG 137 Cb 0.34 0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.41 2wdm h ARG 137 CO 0.00 -0.38 -0.06 -0.07 -3.11 0.00 0.00 179.97 176.35 2wdm h LEU 138 N -1.02 0.19 0.80 3.80 3.38 -1.34 0.36 115.31 121.49 2wdm h LEU 138 Ca -0.06 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 2wdm h LEU 138 Cb 0.45 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.16 2wdm h LEU 138 CO 0.10 0.29 -0.38 0.50 0.09 0.00 0.00 178.44 179.03 2wdm h LYS 139 N 0.21 -1.04 -0.70 1.13 3.11 -1.61 0.29 116.57 117.96 2wdm h LYS 139 Ca 0.05 0.07 0.17 0.00 -2.81 0.00 0.00 60.65 58.13 2wdm h LYS 139 Cb 0.25 0.24 -0.04 0.00 -1.00 0.00 0.00 32.23 31.68 2wdm h LYS 139 CO 0.01 -0.68 0.49 1.25 -2.81 0.00 0.00 179.45 177.70 2wdm h HIS 140 N -1.12 0.24 0.52 1.91 2.76 0.64 -2.52 115.15 117.57 2wdm h HIS 140 Ca -0.11 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.04 2wdm h HIS 140 Cb 0.83 -0.08 0.01 0.00 1.55 0.00 0.00 27.41 29.72 2wdm h HIS 140 CO -0.01 0.09 -0.25 1.49 -1.30 0.00 0.00 177.93 177.95 2wdm h GLU 141 N 0.20 -0.67 0.00 5.26 4.81 -0.07 -2.91 114.58 121.20 2wdm h GLU 141 Ca 0.34 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 2wdm h GLU 141 Cb 1.06 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2wdm h GLU 141 CO -0.07 -0.37 0.00 -0.11 -0.73 0.00 0.00 179.01 177.74 2wdm n LEU 142 N -5.27 0.00 0.00 1.64 7.94 0.01 -2.15 117.00 119.17 2wdm n LEU 142 Ca -0.10 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.80 2wdm n LEU 142 Cb 0.32 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.27 2wdm n LEU 142 CO 0.29 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 175.95 2wdm n GLU 143 N -0.97 0.00 0.15 1.96 -0.58 -0.98 -2.90 120.64 117.32 2wdm n GLU 143 Ca 0.08 0.33 0.05 0.00 -0.42 0.00 0.00 57.16 57.20 2wdm n GLU 143 Cb 0.04 -0.81 0.52 0.00 -0.57 0.00 0.00 31.44 30.61 2wdm n GLU 143 CO 0.00 0.00 0.00 0.07 -0.48 0.00 0.00 177.13 176.72 2wdm h ARG 144 N 0.00 0.20 -0.24 3.49 0.11 -1.55 -0.46 114.38 115.93 2wdm h ARG 144 Ca 0.00 -0.02 0.02 0.00 0.10 0.00 0.00 59.98 60.08 2wdm h ARG 144 Cb 0.00 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.02 2wdm h ARG 144 CO 0.00 0.19 0.11 -0.07 0.10 0.00 0.00 179.97 180.30 2wdm h LEU 145 N 0.20 0.16 -0.14 0.08 -0.00 -1.62 0.50 115.31 114.50 2wdm h LEU 145 Ca 0.05 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 2wdm h LEU 145 Cb 0.08 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.72 2wdm h LEU 145 CO -0.00 0.13 0.00 1.67 -0.00 0.00 0.00 178.44 180.23 2wdm n GLN 146 N -4.99 0.04 -0.09 1.13 7.27 -0.46 -0.74 117.38 119.54 2wdm n GLN 146 Ca -0.02 0.27 -0.17 0.00 0.07 0.00 0.00 57.00 57.15 2wdm n GLN 146 Cb 0.06 -1.58 -0.10 0.00 2.41 0.00 0.00 30.24 31.04 2wdm n GLN 146 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 2wdm h LYS 147 N 0.00 0.00 0.00 3.69 3.64 0.87 -3.32 116.57 121.45 2wdm h LYS 147 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2wdm h LYS 147 Cb 0.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2wdm h LYS 147 CO 0.00 0.80 -0.35 1.88 -2.27 0.00 0.00 179.45 179.51 2wdm h TYR 148 N -1.00 0.00 -0.27 1.91 0.05 -0.09 -3.35 116.97 114.22 2wdm h TYR 148 Ca -0.23 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.55 2wdm h TYR 148 Cb 1.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.82 2wdm h TYR 148 CO 0.06 0.00 0.00 1.28 -1.05 0.00 0.00 178.16 178.45 2wdm n LEU 149 N -2.32 3.16 0.00 3.88 4.77 0.09 -4.73 117.00 121.84 2wdm n LEU 149 Ca 0.04 -2.42 0.00 0.00 -0.03 0.00 0.00 56.01 53.59 2wdm n LEU 149 Cb 0.45 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2wdm n LEU 149 CO 0.34 0.69 0.24 -1.20 -1.33 0.00 0.00 177.39 176.13 2wdm n SER 150 N -0.05 0.00 0.00 -1.43 7.64 -1.25 -1.79 113.62 116.75 2wdm n SER 150 Ca 0.14 0.48 0.03 0.00 1.01 0.00 0.00 58.87 60.53 2wdm n SER 150 Cb 0.59 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.98 2wdm n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wdm n GLY 151 N -0.74 -0.34 2.74 0.23 0.00 -1.26 -3.16 105.19 102.65 2wdm n GLY 151 Ca 0.00 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 2wdm n GLY 151 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2wdm n PHE 152 N -0.79 3.74 0.00 1.61 -0.00 -0.74 0.16 117.46 121.43 2wdm n PHE 152 Ca 0.05 -3.55 0.00 0.00 -0.00 0.00 0.00 57.45 53.95 2wdm n PHE 152 Cb 0.02 -0.35 0.00 0.00 -0.00 0.00 0.00 39.48 39.15 2wdm n PHE 152 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2wdm n ARG 153 N -0.35 2.18 0.00 -4.13 1.74 -1.19 -4.84 116.66 110.07 2wdm n ARG 153 Ca 0.35 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 2wdm n ARG 153 Cb 0.50 -0.93 0.00 0.00 -1.02 0.00 0.00 32.46 31.01 2wdm n ARG 153 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2wdm n LEU 154 N -2.01 0.00 -0.63 0.55 4.77 -1.26 -4.72 117.00 113.70 2wdm n LEU 154 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 2wdm n LEU 154 Cb 0.43 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.50 2wdm n LEU 154 CO 0.00 0.00 0.29 0.18 -1.33 0.00 0.00 177.39 176.53 2wdm n LEU 155 N 0.00 0.07 -2.78 2.23 7.99 -1.26 -4.79 117.00 118.46 2wdm n LEU 155 Ca 0.00 0.06 -0.39 0.00 -0.01 0.00 0.00 56.01 55.67 2wdm n LEU 155 Cb 0.00 -0.13 0.05 0.00 -0.11 0.00 0.00 43.42 43.23 2wdm n LEU 155 CO 0.00 -0.11 1.51 0.29 -1.51 0.00 0.00 177.39 177.58 2wdm n LYS 156 N 1.16 2.75 -3.19 3.23 5.02 -1.26 -4.77 118.16 121.09 2wdm n LYS 156 Ca 0.09 -3.48 0.04 0.00 -2.02 0.00 0.00 58.31 52.94 2wdm n LYS 156 Cb -0.00 -2.27 -0.04 0.00 -0.02 0.00 0.00 35.03 32.70 2wdm n LYS 156 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2wdm s ARG 157 N -4.02 0.05 -0.18 1.97 3.52 -1.26 -5.13 118.95 113.89 2wdm s ARG 157 Ca 0.55 0.11 -0.22 0.00 -0.13 0.00 0.00 55.73 56.05 2wdm s ARG 157 Cb 0.46 0.07 -0.09 0.00 -1.56 0.00 0.00 34.95 33.82 2wdm s ARG 157 CO -0.32 -0.02 0.70 1.28 -0.81 0.00 0.00 175.30 176.13 2wdm n LEU 158 N 4.67 0.44 -4.11 -0.88 4.32 -1.26 -4.86 117.00 115.32 2wdm n LEU 158 Ca -0.07 0.56 -0.36 0.00 -0.02 0.00 0.00 56.01 56.12 2wdm n LEU 158 Cb 0.55 -0.42 0.08 0.00 -1.62 0.00 0.00 43.42 42.02 2wdm n LEU 158 CO -0.06 -0.51 -1.44 -2.65 -1.22 0.00 0.00 177.39 171.51 2wdm n PRO 159 N 1.63 -0.57 -0.46 3.23 -0.02 -1.26 -4.90 135.00 132.66 2wdm n PRO 159 Ca 0.14 -0.16 0.10 0.00 -2.02 0.00 0.00 63.50 61.56 2wdm n PRO 159 Cb -0.01 -1.28 0.32 0.00 -0.02 0.00 0.00 33.50 32.51 2wdm n PRO 159 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2wdm n ASP 160 N 1.51 4.21 0.00 2.55 8.00 -0.95 -5.00 116.55 126.87 2wdm n ASP 160 Ca -0.01 -2.24 0.00 0.00 0.71 0.00 0.00 54.79 53.25 2wdm n ASP 160 Cb 0.69 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 2wdm n ASP 160 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wdm n ALA 161 N 1.19 0.00 -3.66 2.24 0.00 -1.25 -4.43 120.51 114.60 2wdm n ALA 161 Ca 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.60 2wdm n ALA 161 Cb 0.73 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.10 2wdm n ALA 161 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2wdm s ILE 162 N -2.10 -0.35 -0.21 0.00 -4.36 -1.02 -2.92 121.20 110.25 2wdm s ILE 162 Ca 0.00 0.08 -0.10 0.00 -0.26 0.00 0.00 60.65 60.36 2wdm s ILE 162 Cb 0.00 -0.78 -0.05 0.00 1.25 0.00 0.00 42.46 42.88 2wdm s ILE 162 CO 0.00 0.03 0.15 0.12 0.24 0.00 0.00 174.94 175.48 2wdm s PHE 163 N 2.03 3.39 0.01 1.37 5.99 -0.77 -1.63 117.98 128.38 2wdm s PHE 163 Ca -0.07 0.33 0.03 0.00 0.00 0.00 0.00 56.93 57.22 2wdm s PHE 163 Cb -0.09 -2.19 -0.01 0.00 0.00 0.00 0.00 43.02 40.72 2wdm s PHE 163 CO -0.16 0.24 -0.11 0.08 -0.00 0.00 0.00 175.22 175.28 2wdm s VAL 164 N 0.51 0.82 0.00 3.12 1.01 -0.61 -0.36 120.40 124.89 2wdm s VAL 164 Ca 0.08 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.38 2wdm s VAL 164 Cb -0.12 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.53 2wdm s VAL 164 CO -0.00 0.06 0.00 1.33 0.00 0.00 0.00 175.10 176.48 2wdm n VAL 165 N 2.35 0.00 -2.57 2.92 0.24 -0.61 0.08 118.33 120.74 2wdm n VAL 165 Ca -0.16 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.73 2wdm n VAL 165 Cb 0.56 -0.50 -0.03 0.00 -1.47 0.00 0.00 33.84 32.40 2wdm n VAL 165 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wdm s ASP 166 N -1.66 6.20 0.00 -1.34 3.68 -1.26 -3.48 116.67 118.81 2wdm s ASP 166 Ca 0.00 -0.41 0.00 0.00 2.13 0.00 0.00 52.55 54.27 2wdm s ASP 166 Cb 0.00 -2.55 0.00 0.00 -1.45 0.00 0.00 42.92 38.92 2wdm s ASP 166 CO 0.00 -1.77 0.61 -0.81 0.13 0.00 0.00 175.17 173.33 2wdm n PRO 167 N 9.17 0.00 -0.38 4.34 -0.04 -1.26 -1.71 135.00 145.12 2wdm n PRO 167 Ca 0.03 0.41 0.31 0.00 -0.04 0.00 0.00 63.50 64.21 2wdm n PRO 167 Cb 0.49 -1.11 0.62 0.00 -0.04 0.00 0.00 33.50 33.46 2wdm n PRO 167 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2wdm h THR 168 N 0.00 0.35 0.29 0.52 1.35 -1.94 0.35 112.91 113.84 2wdm h THR 168 Ca 0.00 -0.07 -0.01 0.00 -0.55 0.00 0.00 66.41 65.78 2wdm h THR 168 Cb 0.00 0.14 -0.01 0.00 -1.73 0.00 0.00 68.15 66.55 2wdm h THR 168 CO 0.00 0.04 -0.27 0.50 -0.25 0.00 0.00 175.52 175.53 2wdm h LYS 169 N 0.19 -0.54 -1.45 4.72 3.11 -1.88 -2.27 116.57 118.46 2wdm h LYS 169 Ca 0.67 0.04 -0.47 0.00 -2.81 0.00 0.00 60.65 58.08 2wdm h LYS 169 Cb 2.11 0.12 -0.19 0.00 -1.00 0.00 0.00 32.23 33.27 2wdm h LYS 169 CO -0.25 -0.36 0.58 0.39 -2.81 0.00 0.00 179.45 177.00 2wdm n GLU 170 N -4.02 2.18 0.01 1.90 4.71 0.56 -4.50 120.64 121.47 2wdm n GLU 170 Ca -0.07 -2.25 0.08 0.00 -0.01 0.00 0.00 57.16 54.91 2wdm n GLU 170 Cb 0.25 -1.91 0.37 0.00 -1.01 0.00 0.00 31.44 29.15 2wdm n GLU 170 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2wdm n ALA 171 N 0.00 1.78 0.31 0.62 0.00 0.92 -1.48 120.51 122.67 2wdm n ALA 171 Ca 0.43 -0.05 0.20 0.00 0.00 0.00 0.00 53.44 54.02 2wdm n ALA 171 Cb 0.58 -1.28 0.95 0.00 0.00 0.00 0.00 19.45 19.70 2wdm n ALA 171 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2wdm h ILE 172 N 0.00 0.00 0.00 0.00 5.03 -1.83 -2.48 117.51 118.23 2wdm h ILE 172 Ca 0.00 -0.23 0.00 0.00 -0.12 0.00 0.00 64.86 64.51 2wdm h ILE 172 Cb 0.30 1.20 0.00 0.00 -3.03 0.00 0.00 36.82 35.29 2wdm h ILE 172 CO 0.00 0.00 -0.13 0.00 -0.68 0.00 0.00 178.15 177.34 2wdm h ALA 173 N 2.01 0.00 -0.79 1.87 0.00 -1.62 -3.34 119.26 117.39 2wdm h ALA 173 Ca 0.00 -0.17 0.29 0.00 0.00 0.00 0.00 54.91 55.03 2wdm h ALA 173 Cb 0.23 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.06 2wdm h ALA 173 CO 0.00 0.13 0.49 0.28 0.00 0.00 0.00 179.25 180.15 2wdm n VAL 174 N -3.76 -0.19 0.00 0.00 0.31 -1.06 -0.51 118.33 113.11 2wdm n VAL 174 Ca -0.02 1.18 0.00 0.00 -0.01 0.00 0.00 64.34 65.49 2wdm n VAL 174 Cb 0.07 -1.92 0.00 0.00 -0.91 0.00 0.00 33.84 31.07 2wdm n VAL 174 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wdm n ARG 175 N -4.09 0.00 -0.27 5.55 0.63 -0.96 -1.35 116.66 116.17 2wdm n ARG 175 Ca 0.25 0.16 0.11 0.00 -0.92 0.00 0.00 57.85 57.45 2wdm n ARG 175 Cb 0.93 -1.14 0.22 0.00 0.45 0.00 0.00 32.46 32.92 2wdm n ARG 175 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2wdm n GLU 176 N -0.99 -0.06 0.00 -0.14 1.02 0.33 -0.61 120.64 120.19 2wdm n GLU 176 Ca 0.00 1.18 0.00 0.00 -0.02 0.00 0.00 57.16 58.32 2wdm n GLU 176 Cb 0.00 -1.86 0.00 0.00 -0.02 0.00 0.00 31.44 29.56 2wdm n GLU 176 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wdm n ALA 177 N -3.32 -0.01 -0.37 0.62 0.00 -0.85 -1.62 120.51 114.97 2wdm n ALA 177 Ca 0.18 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.92 2wdm n ALA 177 Cb 0.58 0.01 0.50 0.00 0.00 0.00 0.00 19.45 20.54 2wdm n ALA 177 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wdm n ARG 178 N -0.55 -0.02 0.18 0.00 3.00 -0.46 0.60 116.66 119.41 2wdm n ARG 178 Ca 0.00 0.88 -0.13 0.00 -0.00 0.00 0.00 57.85 58.60 2wdm n ARG 178 Cb 0.00 -1.77 -0.08 0.00 0.00 0.00 0.00 32.46 30.61 2wdm n ARG 178 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2wdm h LYS 179 N 0.00 -0.46 -0.61 -0.14 3.64 -0.71 -2.94 116.57 115.35 2wdm h LYS 179 Ca 0.64 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 60.05 2wdm h LYS 179 Cb 2.14 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 34.07 2wdm h LYS 179 CO -0.28 -0.14 0.00 1.28 -2.27 0.00 0.00 179.45 178.04 2wdm n LEU 180 N -5.15 0.61 -3.04 5.20 4.77 0.20 -4.87 117.00 114.73 2wdm n LEU 180 Ca -0.09 -0.31 -0.13 0.00 -0.03 0.00 0.00 56.01 55.45 2wdm n LEU 180 Cb 0.28 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 41.07 2wdm n LEU 180 CO 0.29 0.15 0.03 0.49 -1.33 0.00 0.00 177.39 177.02 2wdm n PHE 181 N -0.10 -3.21 -3.70 -1.77 3.72 -0.74 -5.03 117.46 106.63 2wdm n PHE 181 Ca 0.00 1.29 -0.22 0.00 -0.05 0.00 0.00 57.45 58.47 2wdm n PHE 181 Cb 0.15 -3.65 -0.18 0.00 -0.94 0.00 0.00 39.48 34.86 2wdm n PHE 181 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2wdm s ILE 182 N -2.51 0.11 -0.20 4.37 1.01 -1.16 -4.97 121.20 117.86 2wdm s ILE 182 Ca 0.22 0.17 -0.42 0.00 0.00 0.00 0.00 60.65 60.62 2wdm s ILE 182 Cb -0.05 -0.40 -0.19 0.00 0.01 0.00 0.00 42.46 41.83 2wdm s ILE 182 CO 0.79 0.12 1.39 -2.65 0.00 0.00 0.00 174.94 174.59 2wdm n PRO 183 N 5.22 0.32 -3.48 2.79 -0.02 -1.26 -4.05 135.00 134.53 2wdm n PRO 183 Ca -0.05 0.12 -0.43 0.00 -2.02 0.00 0.00 63.50 61.12 2wdm n PRO 183 Cb 0.50 -1.66 -0.08 0.00 -0.02 0.00 0.00 33.50 32.24 2wdm n PRO 183 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wdm s VAL 184 N 1.62 4.62 -0.17 -1.45 1.01 -1.26 -2.42 120.40 122.34 2wdm s VAL 184 Ca 0.96 -1.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 2wdm s VAL 184 Cb -1.28 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 31.15 2wdm s VAL 184 CO 0.66 -0.72 -0.09 -0.63 0.00 0.00 0.00 175.10 174.31 2wdm s ILE 185 N 1.47 3.18 0.05 2.22 1.01 -0.64 -1.47 121.20 127.02 2wdm s ILE 185 Ca 0.04 -0.59 -0.27 0.00 0.00 0.00 0.00 60.65 59.84 2wdm s ILE 185 Cb -0.26 -2.39 0.08 0.00 0.01 0.00 0.00 42.46 39.90 2wdm s ILE 185 CO 0.02 0.48 0.70 0.00 0.00 0.00 0.00 174.94 176.14 2wdm s ALA 186 N 0.89 -1.71 -0.96 9.38 0.00 -0.82 -1.58 121.76 126.97 2wdm s ALA 186 Ca -0.02 0.88 -0.22 0.00 0.00 0.00 0.00 51.96 52.60 2wdm s ALA 186 Cb -0.15 0.45 0.08 0.00 0.00 0.00 0.00 23.12 23.50 2wdm s ALA 186 CO 0.00 -0.62 1.31 -1.17 0.00 0.00 0.00 175.76 175.29 2wdm s LEU 187 N -2.17 4.03 0.00 0.00 1.98 0.11 -1.74 118.68 120.89 2wdm s LEU 187 Ca -0.02 -1.56 0.05 0.00 -2.89 0.00 0.00 54.13 49.71 2wdm s LEU 187 Cb -0.01 -2.51 0.05 0.00 0.66 0.00 0.00 46.19 44.38 2wdm s LEU 187 CO -0.05 -1.38 0.40 0.00 -1.89 0.00 0.00 176.35 173.42 2wdm n ALA 188 N 8.10 0.67 -3.00 5.97 0.00 -1.06 -4.21 120.51 126.97 2wdm n ALA 188 Ca 0.26 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.38 2wdm n ALA 188 Cb 0.50 0.44 0.00 0.00 0.00 0.00 0.00 19.45 20.39 2wdm n ALA 188 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2wdm n ASP 189 N -2.31 0.00 -0.17 0.00 5.75 -1.26 -0.85 116.55 117.71 2wdm n ASP 189 Ca 0.06 -0.09 -0.05 0.00 -0.01 0.00 0.00 54.79 54.70 2wdm n ASP 189 Cb 0.38 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.48 2wdm n ASP 189 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 2wdm h THR 190 N 0.09 0.26 -0.94 2.12 1.35 -1.91 -0.57 112.91 113.30 2wdm h THR 190 Ca 0.00 0.00 0.28 0.00 -0.55 0.00 0.00 66.41 66.14 2wdm h THR 190 Cb 0.00 0.26 -0.17 0.00 -1.73 0.00 0.00 68.15 66.50 2wdm h THR 190 CO 0.00 0.00 0.08 -0.67 -0.25 0.00 0.00 175.52 174.68 2wdm n ASP 191 N -5.42 -0.05 -2.11 5.36 4.64 -1.26 -3.41 116.55 114.30 2wdm n ASP 191 Ca 0.04 1.59 -0.01 0.00 -1.38 0.00 0.00 54.79 55.03 2wdm n ASP 191 Cb 0.34 -0.60 0.00 0.00 -1.04 0.00 0.00 41.12 39.82 2wdm n ASP 191 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 2wdm n SER 192 N -5.36 0.08 -3.87 1.67 7.64 -0.22 -4.71 113.62 108.84 2wdm n SER 192 Ca 0.24 -1.06 -0.26 0.00 1.01 0.00 0.00 58.87 58.80 2wdm n SER 192 Cb 0.79 -0.02 -0.17 0.00 -1.01 0.00 0.00 64.21 63.80 2wdm n SER 192 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2wdm s ASP 193 N -1.14 2.16 0.28 6.43 3.84 -1.26 -4.56 116.67 122.41 2wdm s ASP 193 Ca 0.02 -0.32 -0.01 0.00 -0.00 0.00 0.00 52.55 52.25 2wdm s ASP 193 Cb -0.00 -0.77 0.63 0.00 -1.38 0.00 0.00 42.92 41.40 2wdm s ASP 193 CO 0.02 -0.15 1.63 1.55 -0.00 0.00 0.00 175.17 178.22 2wdm h PRO 194 N 8.20 0.14 0.00 2.11 0.13 -1.88 -3.35 132.00 137.35 2wdm h PRO 194 Ca -0.27 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2wdm h PRO 194 Cb 1.13 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2wdm h PRO 194 CO 0.38 0.09 0.00 -0.25 -0.23 0.00 0.00 178.00 177.99 2wdm n ASP 195 N -5.30 0.00 -1.42 1.44 9.92 -1.26 -0.33 116.55 119.59 2wdm n ASP 195 Ca 0.19 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.45 2wdm n ASP 195 Cb 0.63 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.11 2wdm n ASP 195 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wdm n LEU 196 N -0.15 4.65 -3.95 0.64 -0.00 -1.26 -4.76 117.00 112.18 2wdm n LEU 196 Ca 0.00 -2.12 -0.29 0.00 -0.00 0.00 0.00 56.01 53.60 2wdm n LEU 196 Cb 0.00 -0.96 -0.16 0.00 -0.00 0.00 0.00 43.42 42.30 2wdm n LEU 196 CO 0.00 0.87 -0.45 -0.69 -0.00 0.00 0.00 177.39 177.12 2wdm s VAL 197 N 0.09 1.31 0.07 1.47 1.01 0.55 -4.93 120.40 119.96 2wdm s VAL 197 Ca 0.00 -0.63 -0.25 0.00 0.00 0.00 0.00 61.98 61.10 2wdm s VAL 197 Cb 0.00 -1.37 -0.16 0.00 0.00 0.00 0.00 36.38 34.85 2wdm s VAL 197 CO 0.00 0.27 1.63 0.44 0.00 0.00 0.00 175.10 177.44 2wdm h ASP 198 N 8.09 -0.09 -3.35 3.32 3.45 -1.56 -3.40 116.42 122.88 2wdm h ASP 198 Ca -0.30 -0.08 -0.56 0.00 0.43 0.00 0.00 57.03 56.52 2wdm h ASP 198 Cb 1.12 0.02 -0.39 0.00 -0.56 0.00 0.00 39.33 39.52 2wdm h ASP 198 CO 0.45 0.03 -0.77 -0.31 -1.57 0.00 0.00 179.24 177.07 2wdm s TYR 199 N -5.79 1.57 -0.13 4.55 1.51 -0.55 -5.00 117.35 113.50 2wdm s TYR 199 Ca -0.14 -1.31 -0.07 0.00 -1.01 0.00 0.00 57.07 54.55 2wdm s TYR 199 Cb 0.05 -1.34 -0.04 0.00 -0.11 0.00 0.00 41.96 40.52 2wdm s TYR 199 CO 0.65 -0.71 0.12 0.42 -1.11 0.00 0.00 175.55 174.92 2wdm s ILE 200 N 1.67 5.35 -0.74 2.71 1.01 -1.26 -1.95 121.20 127.99 2wdm s ILE 200 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.81 2wdm s ILE 200 Cb -0.18 -3.34 0.18 0.00 0.01 0.00 0.00 42.46 39.14 2wdm s ILE 200 CO -0.11 0.60 0.57 -0.63 0.00 0.00 0.00 174.94 175.37 2wdm s ILE 201 N -0.84 3.64 -0.06 2.92 -1.09 -0.71 -4.50 121.20 120.56 2wdm s ILE 201 Ca 0.14 -3.71 -0.30 0.00 -2.23 0.00 0.00 60.65 54.55 2wdm s ILE 201 Cb -0.12 -3.33 -0.06 0.00 -1.58 0.00 0.00 42.46 37.36 2wdm s ILE 201 CO 0.03 -0.99 1.82 -2.16 -1.23 0.00 0.00 174.94 172.42 2wdm s PRO 202 N -0.97 4.00 0.00 2.79 0.04 -1.25 -2.55 135.00 137.06 2wdm s PRO 202 Ca 0.23 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2wdm s PRO 202 Cb -0.12 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.33 2wdm s PRO 202 CO -0.10 -1.09 0.00 0.41 0.04 0.00 0.00 177.00 176.26 2wdm n GLY 203 N 4.53 1.50 3.48 0.56 0.00 -0.03 -4.86 105.19 110.37 2wdm n GLY 203 Ca 0.20 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 2wdm n GLY 203 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wdm n ASN 204 N 0.00 0.56 -2.01 1.61 5.15 -1.25 -4.54 115.26 114.77 2wdm n ASN 204 Ca 0.00 0.17 -0.17 0.00 -0.60 0.00 0.00 54.58 53.98 2wdm n ASN 204 Cb 0.00 -0.99 -0.01 0.00 -0.53 0.00 0.00 39.78 38.26 2wdm n ASN 204 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2wdm n ASP 205 N 10.71 6.27 0.00 1.20 5.75 -1.26 -4.48 116.55 134.74 2wdm n ASP 205 Ca 0.62 -2.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.40 2wdm n ASP 205 Cb 0.08 -1.14 0.00 0.00 -1.03 0.00 0.00 41.12 39.03 2wdm n ASP 205 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2wdm n ASP 206 N 0.75 0.00 -4.64 -1.12 9.92 -1.26 -4.76 116.55 115.45 2wdm n ASP 206 Ca 0.33 0.00 -0.54 0.00 -0.53 0.00 0.00 54.79 54.05 2wdm n ASP 206 Cb 0.59 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 41.00 2wdm n ASP 206 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2wdm n ALA 207 N -1.49 -0.64 0.19 2.24 0.00 -1.26 -4.63 120.51 114.92 2wdm n ALA 207 Ca 0.00 0.46 0.09 0.00 0.00 0.00 0.00 53.44 53.99 2wdm n ALA 207 Cb 0.00 -2.14 0.47 0.00 0.00 0.00 0.00 19.45 17.78 2wdm n ALA 207 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2wdm h ILE 208 N 4.14 0.00 0.60 0.00 2.04 -1.96 -0.80 117.51 121.53 2wdm h ILE 208 Ca -0.47 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.36 2wdm h ILE 208 Cb 1.33 0.38 0.01 0.00 -0.74 0.00 0.00 36.82 37.80 2wdm h ILE 208 CO 0.86 0.00 -0.29 0.03 0.00 0.00 0.00 178.15 178.75 2wdm h ARG 209 N 0.00 -0.78 -0.99 2.37 2.47 -1.90 0.15 114.38 115.70 2wdm h ARG 209 Ca 0.00 0.05 0.15 0.00 -1.26 0.00 0.00 59.98 58.92 2wdm h ARG 209 Cb 0.48 0.18 -0.09 0.00 -1.65 0.00 0.00 29.97 28.88 2wdm h ARG 209 CO 0.00 -0.52 0.62 1.03 0.56 0.00 0.00 179.97 181.66 2wdm h SER 210 N -1.07 0.85 -0.05 7.04 0.87 -1.33 -0.23 113.55 119.64 2wdm h SER 210 Ca -0.08 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2wdm h SER 210 Cb 0.62 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2wdm h SER 210 CO 0.14 0.40 0.01 0.40 -0.53 0.00 0.00 176.83 177.25 2wdm h ILE 211 N 0.88 1.19 0.19 2.23 2.04 -1.47 -2.86 117.51 119.72 2wdm h ILE 211 Ca 0.52 -0.56 0.01 0.00 1.00 0.00 0.00 64.86 65.83 2wdm h ILE 211 Cb 0.66 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 2wdm h ILE 211 CO -0.30 0.15 -0.29 -0.61 0.00 0.00 0.00 178.15 177.11 2wdm h GLN 212 N -0.14 -0.53 -0.37 2.37 -0.00 0.55 0.46 115.11 117.45 2wdm h GLN 212 Ca 0.01 0.04 0.08 0.00 -0.00 0.00 0.00 58.65 58.78 2wdm h GLN 212 Cb 0.23 0.12 -0.08 0.00 0.00 0.00 0.00 27.48 27.75 2wdm h GLN 212 CO 0.00 -0.35 -0.20 1.25 0.00 0.00 0.00 178.83 179.53 2wdm h LEU 213 N -0.55 -0.66 -0.25 -2.39 6.46 -1.12 0.13 115.31 116.93 2wdm h LEU 213 Ca 0.01 0.15 -0.21 0.00 -0.12 0.00 0.00 57.88 57.71 2wdm h LEU 213 Cb 0.54 0.35 -0.00 0.00 -0.73 0.00 0.00 40.66 40.82 2wdm h LEU 213 CO -0.12 -0.23 -0.87 0.40 -0.62 0.00 0.00 178.44 177.00 2wdm h ILE 214 N -0.14 1.41 -0.09 4.05 1.08 -1.33 -2.49 117.51 120.00 2wdm h ILE 214 Ca 0.18 -2.39 -0.14 0.00 -0.39 0.00 0.00 64.86 62.12 2wdm h ILE 214 Cb 0.42 2.34 -0.01 0.00 -3.07 0.00 0.00 36.82 36.50 2wdm h ILE 214 CO -0.45 0.71 -0.58 -0.07 -0.69 0.00 0.00 178.15 177.08 2wdm h LEU 215 N 0.23 0.33 0.19 1.44 -0.00 0.25 -2.90 115.31 114.85 2wdm h LEU 215 Ca -0.06 -0.18 -0.01 0.00 -0.00 0.00 0.00 57.88 57.63 2wdm h LEU 215 Cb 1.49 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 42.06 2wdm h LEU 215 CO 0.15 0.83 -0.09 -1.28 -0.00 0.00 0.00 178.44 178.05 2wdm h SER 216 N 0.22 -0.22 0.00 -0.43 0.87 -0.79 -2.82 113.55 110.38 2wdm h SER 216 Ca -0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2wdm h SER 216 Cb 1.07 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2wdm h SER 216 CO 0.09 0.10 0.00 0.54 -0.53 0.00 0.00 176.83 177.04 2wdm n ARG 217 N -4.12 0.00 -0.12 2.24 5.12 -0.94 -1.78 116.66 117.06 2wdm n ARG 217 Ca -0.03 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.66 2wdm n ARG 217 Cb 0.10 -1.44 -0.08 0.00 -1.16 0.00 0.00 32.46 29.88 2wdm n ARG 217 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wdm n ALA 218 N -0.88 1.06 0.23 7.54 0.00 -1.09 -4.06 120.51 123.30 2wdm n ALA 218 Ca 0.00 -0.96 0.10 0.00 0.00 0.00 0.00 53.44 52.58 2wdm n ALA 218 Cb 0.00 0.05 0.49 0.00 0.00 0.00 0.00 19.45 19.98 2wdm n ALA 218 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wdm n VAL 219 N -4.33 1.08 -0.00 0.00 0.31 -0.73 -2.59 118.33 112.06 2wdm n VAL 219 Ca -0.41 0.55 -0.07 0.00 -0.01 0.00 0.00 64.34 64.39 2wdm n VAL 219 Cb 0.76 -1.52 -0.06 0.00 -0.91 0.00 0.00 33.84 32.11 2wdm n VAL 219 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2wdm h ASP 220 N 0.00 -0.10 0.00 4.52 3.32 -1.69 -2.80 116.42 119.68 2wdm h ASP 220 Ca 0.00 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2wdm h ASP 220 Cb 0.11 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2wdm h ASP 220 CO 0.00 0.54 0.00 -0.11 -1.72 0.00 0.00 179.24 177.95 2wdm n LEU 221 N -4.81 0.00 -0.08 1.55 -0.00 -1.07 -0.21 117.00 112.38 2wdm n LEU 221 Ca -0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.88 2wdm n LEU 221 Cb 0.22 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.61 2wdm n LEU 221 CO 0.17 0.00 -0.57 -0.38 -0.00 0.00 0.00 177.39 176.61 2wdm n ILE 222 N -0.88 1.38 0.24 1.96 5.41 -1.20 -4.09 119.36 122.18 2wdm n ILE 222 Ca 0.02 0.18 0.13 0.00 1.00 0.00 0.00 62.75 64.08 2wdm n ILE 222 Cb 0.01 -2.30 0.51 0.00 -0.71 0.00 0.00 39.64 37.15 2wdm n ILE 222 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 176.55 176.71 2wdm h ILE 223 N -0.93 0.24 0.00 1.39 3.07 -1.16 -1.97 117.51 118.16 2wdm h ILE 223 Ca 0.00 -0.87 0.00 0.00 1.55 0.00 0.00 64.86 65.54 2wdm h ILE 223 Cb 0.84 1.70 0.00 0.00 -0.27 0.00 0.00 36.82 39.09 2wdm h ILE 223 CO 0.00 0.10 0.00 1.67 -1.05 0.00 0.00 178.15 178.87 2wdm n GLN 224 N -3.21 0.95 -0.02 0.16 7.27 0.71 -0.68 117.38 122.56 2wdm n GLN 224 Ca 0.01 0.00 0.01 0.00 0.07 0.00 0.00 57.00 57.09 2wdm n GLN 224 Cb 0.40 -1.25 0.02 0.00 2.41 0.00 0.00 30.24 31.82 2wdm n GLN 224 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2wdm n ALA 225 N -0.75 2.26 0.00 1.69 0.00 -0.74 -4.44 120.51 118.53 2wdm n ALA 225 Ca 0.12 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.78 2wdm n ALA 225 Cb 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.41 2wdm n ALA 225 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdm n ARG 226 N -0.07 4.62 0.00 0.00 1.74 -0.63 -3.57 116.66 118.75 2wdm n ARG 226 Ca 0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2wdm n ARG 226 Cb 0.18 -0.44 0.00 0.00 -1.02 0.00 0.00 32.46 31.18 2wdm n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdm n GLY 227 N 0.90 2.32 0.00 -0.13 0.00 0.14 -5.09 105.19 103.33 2wdm n GLY 227 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2wdm n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdm n GLY 228 N 2.05 0.76 3.26 -0.02 0.00 -1.26 -4.82 105.19 105.17 2wdm n GLY 228 Ca 0.00 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 2wdm n GLY 228 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdm n VAL 229 N 0.00 0.97 -0.05 1.61 0.31 -1.26 -4.72 118.33 115.19 2wdm n VAL 229 Ca 0.00 -0.83 -0.04 0.00 -0.01 0.00 0.00 64.34 63.46 2wdm n VAL 229 Cb 0.00 -2.15 0.04 0.00 -0.91 0.00 0.00 33.84 30.81 2wdm n VAL 229 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2wdm n VAL 230 N 6.38 0.00 -3.33 2.52 0.24 -1.26 -5.03 118.33 117.85 2wdm n VAL 230 Ca 0.47 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.56 2wdm n VAL 230 Cb 0.39 -0.12 -0.00 0.00 -1.47 0.00 0.00 33.84 32.64 2wdm n VAL 230 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2wdm s GLU 231 N -2.65 3.18 0.48 7.34 -1.05 -1.26 -5.06 118.70 119.67 2wdm s GLU 231 Ca 0.08 -0.70 -0.22 0.00 -0.15 0.00 0.00 54.97 53.99 2wdm s GLU 231 Cb -0.01 -2.71 -0.10 0.00 -0.44 0.00 0.00 34.13 30.87 2wdm s GLU 231 CO 0.07 -0.01 0.75 -2.30 0.95 0.00 0.00 175.26 174.72 2wdm n PRO 232 N -1.80 0.86 -2.97 -4.83 -0.02 -1.26 -4.97 135.00 120.00 2wdm n PRO 232 Ca -0.01 0.32 -0.31 0.00 -2.02 0.00 0.00 63.50 61.47 2wdm n PRO 232 Cb 0.58 -1.81 -0.05 0.00 -0.02 0.00 0.00 33.50 32.20 2wdm n PRO 232 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wdm s SER 233 N -0.97 6.66 -0.69 2.55 0.15 -1.26 -4.94 113.70 115.20 2wdm s SER 233 Ca 0.66 1.23 -0.25 0.00 0.70 0.00 0.00 55.95 58.29 2wdm s SER 233 Cb -0.53 -2.36 -0.13 0.00 -1.71 0.00 0.00 66.02 61.29 2wdm s SER 233 CO 0.55 -0.31 2.42 -0.81 1.20 0.00 0.00 173.24 176.29 2wdm n PRO 234 N -0.84 0.68 0.00 5.44 -0.04 -1.26 -4.74 135.00 134.25 2wdm n PRO 234 Ca 0.03 -0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.14 2wdm n PRO 234 Cb 0.54 -3.22 0.00 0.00 -0.04 0.00 0.00 33.50 30.78 2wdm n PRO 234 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2wdm n SER 235 N 15.91 0.00 -3.63 3.54 3.41 -1.26 -4.84 113.62 126.75 2wdm n SER 235 Ca 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 2wdm n SER 235 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 2wdm n SER 235 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2wdm n TYR 236 N -1.40 0.00 0.00 7.33 4.02 -1.26 -4.74 117.16 121.12 2wdm n TYR 236 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2wdm n TYR 236 Cb 0.00 -0.42 0.00 0.00 -0.02 0.00 0.00 39.34 38.90 2wdm n TYR 236 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wdm n ALA 237 N 3.74 0.00 1.55 -0.72 0.00 -1.26 -4.62 120.51 119.20 2wdm n ALA 237 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2wdm n ALA 237 Cb 0.37 0.00 0.75 0.00 0.00 0.00 0.00 19.45 20.57 2wdm n ALA 237 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2wdm n LEU 238 N 0.00 0.00 -1.81 0.00 -0.00 -1.26 -4.88 117.00 109.05 2wdm n LEU 238 Ca 0.00 0.07 -0.24 0.00 -0.00 0.00 0.00 56.01 55.84 2wdm n LEU 238 Cb 0.00 -0.07 -0.05 0.00 -0.00 0.00 0.00 43.42 43.30 2wdm n LEU 238 CO 0.00 -0.01 0.76 0.52 -0.00 0.00 0.00 177.39 178.66 2wdm n VAL 239 N -1.07 0.00 0.00 1.47 0.31 -1.26 -3.98 118.33 113.80 2wdm n VAL 239 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 2wdm n VAL 239 Cb 0.12 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.84 2wdm n VAL 239 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdm n GLN 240 N 3.23 0.00 0.00 5.55 6.02 -1.26 -5.02 117.38 125.89 2wdm n GLN 240 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.23 2wdm n GLN 240 Cb -0.01 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.25 2wdm n GLN 240 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14