#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wov n ASN 3 N 0.00 3.75 -0.20 3.42 6.94 -1.26 -4.71 115.26 123.19 1wov n ASN 3 Ca 0.00 -3.29 0.01 0.00 -0.02 0.00 0.00 54.58 51.28 1wov n ASN 3 Cb 0.00 -0.63 0.11 0.00 -2.36 0.00 0.00 39.78 36.90 1wov n ASN 3 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1wov h LEU 4 N 1.79 -0.14 -0.27 -4.53 5.85 -1.89 -1.03 115.31 115.09 1wov h LEU 4 Ca 0.14 0.14 0.06 0.00 0.84 0.00 0.00 57.88 59.06 1wov h LEU 4 Cb 1.76 0.22 -0.06 0.00 0.37 0.00 0.00 40.66 42.95 1wov h LEU 4 CO 0.42 -0.06 -0.12 0.00 -0.34 0.00 0.00 178.44 178.34 1wov h ALA 5 N 1.53 0.10 -0.30 1.25 0.00 -1.85 -0.40 119.26 119.60 1wov h ALA 5 Ca 0.33 0.10 -0.16 0.00 0.00 0.00 0.00 54.91 55.18 1wov h ALA 5 Cb 0.52 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1wov h ALA 5 CO -0.48 -0.52 -0.43 1.96 0.00 0.00 0.00 179.25 179.78 1wov h GLN 6 N -0.08 0.77 -0.35 0.00 7.50 -1.85 -1.64 115.11 119.46 1wov h GLN 6 Ca 0.14 -0.42 -0.06 0.00 0.50 0.00 0.00 58.65 58.81 1wov h GLN 6 Cb 0.29 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.82 1wov h GLN 6 CO -0.32 1.05 -0.02 0.87 -1.50 0.00 0.00 178.83 178.91 1wov h LYS 7 N 0.62 0.55 0.17 1.46 1.57 -1.06 -1.39 116.57 118.49 1wov h LYS 7 Ca 0.04 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1wov h LYS 7 Cb 1.00 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1wov h LYS 7 CO 0.09 0.59 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.42 1wov h LEU 8 N 0.52 -0.19 -0.14 2.94 3.38 -0.89 0.78 115.31 121.72 1wov h LEU 8 Ca 0.11 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1wov h LEU 8 Cb 0.37 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 1wov h LEU 8 CO 0.01 0.18 -0.03 -0.09 0.09 0.00 0.00 178.44 178.60 1wov h ARG 9 N -0.58 0.01 -0.10 1.13 2.43 -1.07 -1.13 114.38 115.08 1wov h ARG 9 Ca -0.02 -0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.91 1wov h ARG 9 Cb 0.44 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1wov h ARG 9 CO 0.04 0.01 -0.87 1.88 -1.51 0.00 0.00 179.97 179.51 1wov h TYR 10 N 0.01 1.07 0.00 2.20 0.05 -1.35 -2.81 116.97 116.14 1wov h TYR 10 Ca 0.07 -0.51 0.00 0.00 0.05 0.00 0.00 58.73 58.34 1wov h TYR 10 Cb 0.10 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 37.69 1wov h TYR 10 CO -0.17 1.35 0.00 0.78 -1.05 0.00 0.00 178.16 179.07 1wov h GLY 11 N 0.49 0.00 -1.96 3.88 0.00 -0.73 -2.92 103.07 101.83 1wov h GLY 11 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1wov h GLY 11 CO 0.18 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.42 1wov n THR 12 N -2.57 0.99 -0.13 4.70 -2.24 -0.44 -4.77 114.28 109.83 1wov n THR 12 Ca 0.03 -0.99 -0.09 0.00 -2.27 0.00 0.00 64.05 60.73 1wov n THR 12 Cb 0.36 0.51 -0.01 0.00 -2.10 0.00 0.00 70.33 69.09 1wov n THR 12 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1wov h GLN 13 N 3.13 0.56 -0.53 -0.78 4.15 -1.29 0.64 115.11 120.99 1wov h GLN 13 Ca 0.00 -0.10 0.01 0.00 0.77 0.00 0.00 58.65 59.33 1wov h GLN 13 Cb 0.86 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.43 1wov h GLN 13 CO 0.00 0.53 0.35 0.37 -1.93 0.00 0.00 178.83 178.15 1wov h GLN 14 N 0.47 0.69 -0.80 1.69 4.15 -1.86 -1.72 115.11 117.72 1wov h GLN 14 Ca 0.13 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.46 1wov h GLN 14 Cb 0.18 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 27.68 1wov h GLN 14 CO -0.01 0.45 0.32 0.77 -1.93 0.00 0.00 178.83 178.43 1wov h SER 15 N 0.71 1.11 -0.62 -0.69 0.02 -1.74 -0.59 113.55 111.75 1wov h SER 15 Ca 0.20 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1wov h SER 15 Cb -0.07 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.15 1wov h SER 15 CO -0.05 0.98 0.37 -0.74 -1.14 0.00 0.00 176.83 176.25 1wov h HIS 16 N 1.17 0.83 -0.07 3.45 -0.00 -0.57 -1.14 115.15 118.82 1wov h HIS 16 Ca 0.27 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.63 1wov h HIS 16 Cb 0.22 -0.27 -0.00 0.00 -0.00 0.00 0.00 27.41 27.35 1wov h HIS 16 CO 0.02 0.57 0.03 1.15 -0.00 0.00 0.00 177.93 179.71 1wov h THR 17 N 0.85 1.11 -0.92 6.26 2.02 -1.04 -1.62 112.91 119.57 1wov h THR 17 Ca 0.22 -0.33 0.19 0.00 0.77 0.00 0.00 66.41 67.27 1wov h THR 17 Cb -0.01 1.20 -0.11 0.00 -1.74 0.00 0.00 68.15 67.49 1wov h THR 17 CO -0.04 0.10 0.49 -0.07 0.37 0.00 0.00 175.52 176.36 1wov h LEU 18 N -0.01 0.56 -0.40 2.58 3.38 -0.94 -1.61 115.31 118.86 1wov h LEU 18 Ca 0.02 0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 1wov h LEU 18 Cb 0.12 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1wov h LEU 18 CO -0.00 0.16 0.01 0.00 0.09 0.00 0.00 178.44 178.69 1wov h ALA 19 N 1.64 0.54 -0.44 1.53 0.00 -0.32 -1.76 119.26 120.45 1wov h ALA 19 Ca 0.54 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 55.25 1wov h ALA 19 Cb 0.90 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1wov h ALA 19 CO -0.43 0.32 0.30 0.93 0.00 0.00 0.00 179.25 180.37 1wov h GLU 20 N 0.54 0.37 -0.65 0.00 5.08 -0.98 -3.02 114.58 115.92 1wov h GLU 20 Ca 0.12 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1wov h GLU 20 Cb 0.47 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1wov h GLU 20 CO 0.02 0.24 0.00 0.09 -1.00 0.00 0.00 179.01 178.36 1wov n ASN 21 N -4.48 4.25 -4.71 1.42 3.02 -0.64 -3.84 115.26 110.29 1wov n ASN 21 Ca 0.06 -2.36 -0.34 0.00 -0.03 0.00 0.00 54.58 51.91 1wov n ASN 21 Cb 0.23 -0.54 0.11 0.00 -0.61 0.00 0.00 39.78 38.97 1wov n ASN 21 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1wov s THR 22 N -1.75 2.28 0.29 3.41 -4.23 -0.85 -4.84 115.64 109.94 1wov s THR 22 Ca 0.46 0.13 -0.02 0.00 -1.18 0.00 0.00 61.69 61.08 1wov s THR 22 Cb 0.29 -2.61 0.27 0.00 1.34 0.00 0.00 72.50 71.79 1wov s THR 22 CO 0.23 -0.08 1.93 0.00 -0.54 0.00 0.00 174.62 176.16 1wov h ALA 23 N -0.59 1.42 -0.32 3.99 0.00 -1.92 -0.53 119.26 121.32 1wov h ALA 23 Ca -0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1wov h ALA 23 Cb 1.29 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1wov h ALA 23 CO 0.48 0.49 0.17 -0.92 0.00 0.00 0.00 179.25 179.47 1wov h TYR 24 N 1.14 0.43 -0.03 0.00 3.20 -1.92 -2.47 116.97 117.32 1wov h TYR 24 Ca 0.36 -0.01 -0.22 0.00 3.14 0.00 0.00 58.73 62.00 1wov h TYR 24 Cb 0.02 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.16 1wov h TYR 24 CO -0.00 0.35 -0.89 0.52 -1.64 0.00 0.00 178.16 176.50 1wov h MET 25 N 0.39 0.49 -0.22 1.82 2.86 -1.75 -1.62 114.93 116.89 1wov h MET 25 Ca 0.11 -0.48 0.05 0.00 -2.06 0.00 0.00 59.70 57.32 1wov h MET 25 Cb 0.06 0.13 -0.05 0.00 0.06 0.00 0.00 31.60 31.79 1wov h MET 25 CO -0.02 1.12 -0.11 0.87 1.06 0.00 0.00 176.91 179.83 1wov h LYS 26 N 0.30 -0.09 -0.60 1.72 1.57 -0.97 -1.06 116.57 117.44 1wov h LYS 26 Ca -0.07 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1wov h LYS 26 Cb 1.52 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.82 1wov h LYS 26 CO 0.16 -0.06 0.34 0.00 -0.57 0.00 0.00 179.45 179.32 1wov h PHE 28 N 0.81 -0.56 0.00 0.00 3.04 -1.14 -1.49 116.94 117.60 1wov h PHE 28 Ca 0.21 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.12 1wov h PHE 28 Cb 0.02 0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.74 1wov h PHE 28 CO -0.01 -0.32 -0.19 -0.07 -2.02 0.00 0.00 178.31 175.69 1wov h LEU 29 N -0.48 0.00 -0.06 0.59 -0.00 -1.22 -0.09 115.31 114.05 1wov h LEU 29 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1wov h LEU 29 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.09 1wov h LEU 29 CO -0.03 0.19 -0.01 0.29 -0.00 0.00 0.00 178.44 178.88 1wov n LYS 30 N -3.69 0.85 0.00 1.13 5.02 -0.96 -4.93 118.16 115.58 1wov n LYS 30 Ca -0.01 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1wov n LYS 30 Cb 0.31 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 1wov n LYS 30 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wov n GLY 31 N 1.11 0.88 3.56 0.72 0.00 -0.05 -5.08 105.19 106.34 1wov n GLY 31 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1wov n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wov s ILE 32 N -2.00 3.89 -0.11 -0.61 -1.09 -0.60 -4.80 121.20 115.87 1wov s ILE 32 Ca 0.00 0.55 0.02 0.00 -2.23 0.00 0.00 60.65 58.99 1wov s ILE 32 Cb 0.00 -4.82 0.01 0.00 -1.58 0.00 0.00 42.46 36.07 1wov s ILE 32 CO 0.00 -1.62 -0.16 -0.69 -1.23 0.00 0.00 174.94 171.25 1wov s VAL 33 N 5.29 1.54 -0.07 2.92 1.01 -1.26 -3.56 120.40 126.27 1wov s VAL 33 Ca 0.37 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.72 1wov s VAL 33 Cb -0.08 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 1wov s VAL 33 CO 0.19 0.45 -0.18 -1.61 0.00 0.00 0.00 175.10 173.95 1wov s GLU 34 N 0.97 2.74 0.29 2.72 0.41 -1.26 -4.75 118.70 119.82 1wov s GLU 34 Ca -0.07 -0.77 0.03 0.00 -0.41 0.00 0.00 54.97 53.74 1wov s GLU 34 Cb -0.15 -2.36 0.62 0.00 -1.78 0.00 0.00 34.13 30.46 1wov s GLU 34 CO -0.01 0.43 1.80 -0.09 -0.49 0.00 0.00 175.26 176.89 1wov h ARG 35 N 5.96 0.81 0.19 1.61 2.43 -2.00 -1.26 114.38 122.12 1wov h ARG 35 Ca -0.36 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.76 1wov h ARG 35 Cb 1.18 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 1wov h ARG 35 CO 0.50 0.54 -0.09 1.49 -1.51 0.00 0.00 179.97 180.90 1wov h GLU 36 N 0.83 -0.25 0.00 0.20 4.57 -1.99 -1.20 114.58 116.74 1wov h GLU 36 Ca 0.52 0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.68 1wov h GLU 36 Cb 0.68 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 1wov h GLU 36 CO -0.33 0.14 -0.20 -1.00 -1.18 0.00 0.00 179.01 176.44 1wov h PRO 37 N -0.74 0.00 -0.22 0.92 0.13 -1.90 -1.96 132.00 128.22 1wov h PRO 37 Ca -0.03 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.01 1wov h PRO 37 Cb 0.50 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.63 1wov h PRO 37 CO 0.04 0.20 -0.24 0.35 -0.23 0.00 0.00 178.00 178.12 1wov h PHE 38 N 0.00 0.68 0.00 1.56 3.57 -1.14 -1.17 116.94 120.43 1wov h PHE 38 Ca -0.00 -0.21 -0.07 0.00 3.53 0.00 0.00 57.97 61.22 1wov h PHE 38 Cb 0.63 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1wov h PHE 38 CO 0.00 0.91 -0.32 0.07 -2.23 0.00 0.00 178.31 176.74 1wov h ARG 39 N 0.25 0.00 -0.30 1.11 0.11 -1.11 -1.75 114.38 112.69 1wov h ARG 39 Ca 0.03 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.99 1wov h ARG 39 Cb 0.80 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.87 1wov h ARG 39 CO 0.06 0.32 -0.30 1.96 0.10 0.00 0.00 179.97 182.11 1wov h GLN 40 N 0.00 0.64 -0.18 0.08 4.20 -1.28 -1.08 115.11 117.49 1wov h GLN 40 Ca -0.00 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 1wov h GLN 40 Cb 1.07 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 1wov h GLN 40 CO 0.04 0.86 0.07 1.25 -0.67 0.00 0.00 178.83 180.38 1wov h LEU 41 N 0.55 0.25 -1.06 1.46 5.85 -0.62 -0.36 115.31 121.38 1wov h LEU 41 Ca 0.07 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 1wov h LEU 41 Cb 0.79 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1wov h LEU 41 CO 0.06 0.35 0.09 -0.07 -0.34 0.00 0.00 178.44 178.54 1wov h LEU 42 N 0.13 0.72 -0.71 2.25 3.38 -1.24 0.59 115.31 120.42 1wov h LEU 42 Ca 0.06 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1wov h LEU 42 Cb 0.18 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1wov h LEU 42 CO -0.00 0.73 0.28 0.00 0.09 0.00 0.00 178.44 179.53 1wov h ALA 43 N 1.37 0.93 0.11 1.53 0.00 -0.95 0.13 119.26 122.37 1wov h ALA 43 Ca 0.16 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1wov h ALA 43 Cb 0.32 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1wov h ALA 43 CO 0.00 0.56 -0.21 -0.91 0.00 0.00 0.00 179.25 178.69 1wov h ASN 44 N 1.02 -0.59 -0.98 0.00 2.35 -0.19 -2.44 115.58 114.76 1wov h ASN 44 Ca 0.24 0.07 0.10 0.00 -0.55 0.00 0.00 56.30 56.15 1wov h ASN 44 Cb 0.22 0.22 -0.08 0.00 0.05 0.00 0.00 38.32 38.74 1wov h ASN 44 CO -0.02 -0.29 0.62 -0.07 -1.65 0.00 0.00 177.43 176.02 1wov h LEU 45 N -0.39 0.94 -0.55 1.61 3.38 -0.67 -1.97 115.31 117.65 1wov h LEU 45 Ca 0.03 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.14 1wov h LEU 45 Cb 0.42 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.92 1wov h LEU 45 CO -0.12 0.54 0.01 0.22 0.09 0.00 0.00 178.44 179.18 1wov h TYR 46 N 1.04 -0.01 -0.54 1.13 3.20 -0.50 -0.18 116.97 121.10 1wov h TYR 46 Ca 0.46 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 62.31 1wov h TYR 46 Cb 0.36 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 1wov h TYR 46 CO -0.01 -0.12 0.08 1.88 -1.64 0.00 0.00 178.16 178.35 1wov h TYR 47 N 0.13 0.89 -0.08 -3.82 -1.99 -1.10 -0.62 116.97 110.39 1wov h TYR 47 Ca 0.28 -0.10 -0.02 0.00 2.00 0.00 0.00 58.73 60.89 1wov h TYR 47 Cb 0.44 -0.25 -0.00 0.00 2.00 0.00 0.00 36.73 38.91 1wov h TYR 47 CO -0.33 0.78 -0.02 1.25 -0.00 0.00 0.00 178.16 179.84 1wov h LEU 48 N 0.81 0.16 -0.06 3.88 6.46 -0.84 -2.56 115.31 123.15 1wov h LEU 48 Ca 0.17 -0.37 -0.14 0.00 -0.12 0.00 0.00 57.88 57.41 1wov h LEU 48 Cb 0.37 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.24 1wov h LEU 48 CO 0.01 0.50 -0.68 1.88 -0.62 0.00 0.00 178.44 179.52 1wov h TYR 49 N -0.18 0.00 -0.83 1.25 0.05 -1.05 0.19 116.97 116.40 1wov h TYR 49 Ca 0.02 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.81 1wov h TYR 49 Cb 0.43 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.12 1wov h TYR 49 CO 0.05 0.68 0.55 0.77 -1.05 0.00 0.00 178.16 179.16 1wov h SER 50 N 0.00 0.94 0.21 3.88 0.02 -1.15 0.24 113.55 117.70 1wov h SER 50 Ca -0.01 -0.02 -0.31 0.00 -0.84 0.00 0.00 61.79 60.61 1wov h SER 50 Cb 1.50 -0.23 0.03 0.00 0.14 0.00 0.00 62.40 63.84 1wov h SER 50 CO 0.09 0.68 -1.35 0.00 -1.14 0.00 0.00 176.83 175.11 1wov h ALA 51 N 1.31 -0.06 0.25 3.77 0.00 -1.05 -2.35 119.26 121.13 1wov h ALA 51 Ca 0.31 -0.81 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1wov h ALA 51 Cb -0.11 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1wov h ALA 51 CO -0.07 0.71 -0.12 1.25 0.00 0.00 0.00 179.25 181.01 1wov h LEU 52 N 0.21 -0.29 -1.15 0.00 5.85 -0.82 -1.85 115.31 117.26 1wov h LEU 52 Ca -0.21 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 1wov h LEU 52 Cb 2.03 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 43.11 1wov h LEU 52 CO 0.25 -0.05 0.19 -0.33 -0.34 0.00 0.00 178.44 178.16 1wov h GLU 53 N -0.52 0.78 -0.24 1.25 5.08 -1.02 0.22 114.58 120.12 1wov h GLU 53 Ca -0.03 -0.13 -0.11 0.00 -1.00 0.00 0.00 59.36 58.09 1wov h GLU 53 Cb 0.39 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1wov h GLU 53 CO 0.06 0.66 -0.31 0.00 -1.00 0.00 0.00 179.01 178.42 1wov h ALA 54 N 1.44 1.02 -0.20 3.43 0.00 -1.41 -1.60 119.26 121.93 1wov h ALA 54 Ca 0.18 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 1wov h ALA 54 Cb 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1wov h ALA 54 CO -0.01 0.59 -0.41 0.00 0.00 0.00 0.00 179.25 179.42 1wov h ALA 55 N 1.24 0.31 -0.40 0.00 0.00 -0.77 -0.26 119.26 119.38 1wov h ALA 55 Ca 0.05 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.53 1wov h ALA 55 Cb 0.75 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1wov h ALA 55 CO 0.06 0.42 0.21 -0.07 0.00 0.00 0.00 179.25 179.87 1wov h LEU 56 N 0.30 0.33 -0.33 0.00 3.38 -0.89 -1.96 115.31 116.14 1wov h LEU 56 Ca 0.00 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1wov h LEU 56 Cb 1.01 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1wov h LEU 56 CO 0.09 0.24 0.08 0.03 0.09 0.00 0.00 178.44 178.97 1wov h ARG 57 N 0.43 0.52 -0.93 1.13 3.08 -1.08 -2.88 114.38 114.64 1wov h ARG 57 Ca 0.17 -0.12 0.10 0.00 0.07 0.00 0.00 59.98 60.20 1wov h ARG 57 Cb 0.05 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 29.96 1wov h ARG 57 CO -0.10 0.57 0.60 0.37 -1.07 0.00 0.00 179.97 180.34 1wov h GLN 58 N 0.37 0.91 -0.50 0.04 5.75 -0.80 -3.16 115.11 117.72 1wov h GLN 58 Ca 0.10 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.55 1wov h GLN 58 Cb 0.29 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 28.63 1wov h GLN 58 CO 0.00 0.60 0.00 0.72 -2.65 0.00 0.00 178.83 177.50 1wov n HIS 59 N -4.55 1.81 0.33 3.99 8.25 -0.76 -4.50 115.22 119.78 1wov n HIS 59 Ca 0.16 -0.77 0.07 0.00 -0.26 0.00 0.00 57.72 56.93 1wov n HIS 59 Cb 0.32 -0.47 0.32 0.00 1.12 0.00 0.00 29.99 31.28 1wov n HIS 59 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1wov n ARG 60 N 0.33 0.07 0.08 -0.41 1.74 -1.16 -1.34 116.66 115.97 1wov n ARG 60 Ca 0.26 0.39 0.09 0.00 -0.77 0.00 0.00 57.85 57.83 1wov n ARG 60 Cb 1.13 -1.65 0.40 0.00 -1.02 0.00 0.00 32.46 31.32 1wov n ARG 60 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1wov n ASP 61 N -1.78 0.38 -4.63 0.55 5.75 -1.26 -4.36 116.55 111.20 1wov n ASP 61 Ca 0.02 0.61 -0.39 0.00 -0.01 0.00 0.00 54.79 55.02 1wov n ASP 61 Cb 0.13 -0.68 -0.09 0.00 -1.03 0.00 0.00 41.12 39.45 1wov n ASP 61 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1wov s ASN 62 N -3.70 6.31 0.33 -1.12 3.84 -0.45 -4.98 114.94 115.17 1wov s ASN 62 Ca 0.04 0.35 0.07 0.00 0.21 0.00 0.00 52.86 53.54 1wov s ASN 62 Cb 0.08 -2.21 0.60 0.00 -0.55 0.00 0.00 41.25 39.17 1wov s ASN 62 CO 0.28 -0.13 1.80 1.05 -2.79 0.00 0.00 177.10 177.31 1wov h GLU 63 N 7.84 0.27 -0.11 0.43 4.11 -1.86 -0.21 114.58 125.05 1wov h GLU 63 Ca -0.34 -0.09 -0.01 0.00 0.07 0.00 0.00 59.36 58.99 1wov h GLU 63 Cb 1.16 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1wov h GLU 63 CO 0.67 0.52 0.02 0.82 0.07 0.00 0.00 179.01 181.11 1wov h ILE 64 N 0.24 1.21 -0.48 -1.06 1.08 -1.93 -2.79 117.51 113.78 1wov h ILE 64 Ca 0.04 -0.65 -0.10 0.00 -0.39 0.00 0.00 64.86 63.76 1wov h ILE 64 Cb 0.59 1.44 -0.02 0.00 -3.07 0.00 0.00 36.82 35.76 1wov h ILE 64 CO 0.04 0.19 -0.10 0.40 -0.69 0.00 0.00 178.15 177.99 1wov h ILE 65 N -0.04 1.26 -0.14 -0.67 1.08 -1.69 -2.51 117.51 114.79 1wov h ILE 65 Ca 0.03 -1.19 -0.04 0.00 -0.39 0.00 0.00 64.86 63.27 1wov h ILE 65 Cb 0.27 1.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.01 1wov h ILE 65 CO 0.00 0.41 -0.11 0.77 -0.69 0.00 0.00 178.15 178.54 1wov h SER 66 N 0.78 0.20 0.11 1.72 4.64 -1.07 -2.08 113.55 117.86 1wov h SER 66 Ca 0.13 -0.04 -0.25 0.00 -0.47 0.00 0.00 61.79 61.17 1wov h SER 66 Cb 0.61 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1wov h SER 66 CO 0.04 0.34 -0.97 0.00 -0.87 0.00 0.00 176.83 175.37 1wov h ALA 67 N 1.69 0.25 0.00 5.18 0.00 -1.27 -3.25 119.26 121.86 1wov h ALA 67 Ca 0.04 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1wov h ALA 67 Cb 0.33 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1wov h ALA 67 CO 0.02 0.73 -0.04 1.51 0.00 0.00 0.00 179.25 181.47 1wov n ILE 68 N -3.83 0.50 -2.46 0.00 0.13 -0.97 -4.80 119.36 107.95 1wov n ILE 68 Ca -0.09 -0.25 -0.43 0.00 -1.10 0.00 0.00 62.75 60.88 1wov n ILE 68 Cb 0.85 -0.54 -0.02 0.00 -0.84 0.00 0.00 39.64 39.08 1wov n ILE 68 CO 0.00 0.00 0.00 -0.47 2.80 0.00 0.00 176.55 178.88 1wov s TYR 69 N -3.09 2.62 -0.42 9.51 5.04 -0.80 -4.98 117.35 125.23 1wov s TYR 69 Ca 0.11 0.75 -0.04 0.00 -2.44 0.00 0.00 57.07 55.44 1wov s TYR 69 Cb 0.13 -4.25 0.11 0.00 0.35 0.00 0.00 41.96 38.30 1wov s TYR 69 CO 0.60 -1.64 0.23 -0.06 -1.34 0.00 0.00 175.55 173.33 1wov s PHE 70 N 4.84 3.53 -0.09 4.97 0.08 -1.26 -4.98 117.98 125.07 1wov s PHE 70 Ca 0.55 -2.23 0.27 0.00 0.12 0.00 0.00 56.93 55.64 1wov s PHE 70 Cb -0.12 -3.21 1.37 0.00 -0.57 0.00 0.00 43.02 40.49 1wov s PHE 70 CO 0.30 -0.96 1.83 -1.00 -0.10 0.00 0.00 175.22 175.28 1wov h PRO 71 N 8.15 0.00 0.00 0.24 0.13 -2.00 0.12 132.00 138.64 1wov h PRO 71 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1wov h PRO 71 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1wov h PRO 71 CO 0.73 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.65 1wov n GLU 72 N -2.47 0.18 0.06 0.86 0.28 -1.26 -1.63 120.64 116.67 1wov n GLU 72 Ca -0.01 0.43 0.12 0.00 -0.16 0.00 0.00 57.16 57.54 1wov n GLU 72 Cb 0.11 -1.86 0.07 0.00 1.43 0.00 0.00 31.44 31.19 1wov n GLU 72 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1wov n LEU 73 N -2.21 0.68 -4.58 -1.84 4.77 0.03 -4.72 117.00 109.13 1wov n LEU 73 Ca 0.02 0.16 -0.50 0.00 -0.03 0.00 0.00 56.01 55.66 1wov n LEU 73 Cb 0.21 -0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1wov n LEU 73 CO 0.19 -0.05 0.79 0.59 -1.33 0.00 0.00 177.39 177.57 1wov n ASN 74 N -2.19 1.45 -0.00 -1.43 5.03 -0.64 -4.91 115.26 112.57 1wov n ASN 74 Ca 0.02 1.13 0.08 0.00 0.87 0.00 0.00 54.58 56.69 1wov n ASN 74 Cb 0.47 -1.21 -0.11 0.00 -1.02 0.00 0.00 39.78 37.91 1wov n ASN 74 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1wov n ARG 75 N 2.04 1.10 -0.14 3.52 5.12 -1.26 -4.71 116.66 122.32 1wov n ARG 75 Ca 0.16 -0.05 -0.09 0.00 -1.93 0.00 0.00 57.85 55.94 1wov n ARG 75 Cb 0.23 -1.34 -0.01 0.00 -1.16 0.00 0.00 32.46 30.18 1wov n ARG 75 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 1wov h THR 76 N 0.00 1.22 -0.28 0.55 2.02 -1.91 -0.49 112.91 114.03 1wov h THR 76 Ca 0.00 -0.75 -0.13 0.00 0.77 0.00 0.00 66.41 66.30 1wov h THR 76 Cb 0.52 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1wov h THR 76 CO 0.00 0.26 -0.37 0.44 0.37 0.00 0.00 175.52 176.23 1wov h ASP 77 N 0.53 0.66 -0.63 4.18 3.32 -2.00 -1.46 116.42 121.02 1wov h ASP 77 Ca 0.13 -0.28 -0.08 0.00 0.02 0.00 0.00 57.03 56.82 1wov h ASP 77 Cb 0.28 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1wov h ASP 77 CO -0.00 0.96 0.08 0.11 -1.72 0.00 0.00 179.24 178.67 1wov h LYS 78 N 0.52 1.06 -0.33 3.56 1.79 -1.73 -2.24 116.57 119.20 1wov h LYS 78 Ca 0.05 -0.30 -0.04 0.00 -2.18 0.00 0.00 60.65 58.18 1wov h LYS 78 Cb 0.88 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.39 1wov h LYS 78 CO 0.08 1.00 0.04 -0.07 -1.08 0.00 0.00 179.45 179.41 1wov h LEU 79 N 0.97 0.45 -0.98 2.94 3.38 -0.99 -1.35 115.31 119.73 1wov h LEU 79 Ca 0.19 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1wov h LEU 79 Cb 0.47 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1wov h LEU 79 CO 0.02 0.49 0.57 0.00 0.09 0.00 0.00 178.44 179.61 1wov h ALA 80 N 1.57 1.24 -0.25 1.53 0.00 -0.87 0.60 119.26 123.07 1wov h ALA 80 Ca 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1wov h ALA 80 Cb 0.26 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1wov h ALA 80 CO 0.00 0.66 0.13 0.93 0.00 0.00 0.00 179.25 180.97 1wov h GLU 81 N 1.29 0.34 -0.53 0.00 5.08 -0.82 -1.16 114.58 118.79 1wov h GLU 81 Ca 0.34 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 1wov h GLU 81 Cb -0.06 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1wov h GLU 81 CO -0.06 0.31 0.24 -0.44 -1.00 0.00 0.00 179.01 178.06 1wov h ASP 82 N 0.28 0.71 0.64 1.42 3.45 -0.83 -1.80 116.42 120.30 1wov h ASP 82 Ca 0.09 -0.15 -0.11 0.00 0.43 0.00 0.00 57.03 57.29 1wov h ASP 82 Cb 0.07 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 38.64 1wov h ASP 82 CO -0.01 0.66 -0.51 -0.07 -1.57 0.00 0.00 179.24 177.74 1wov h LEU 83 N 0.71 0.00 -0.98 1.55 3.38 -0.83 0.81 115.31 119.95 1wov h LEU 83 Ca 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1wov h LEU 83 Cb 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1wov h LEU 83 CO -0.02 0.51 0.20 0.74 0.09 0.00 0.00 178.44 179.96 1wov h THR 84 N 0.00 1.23 -0.25 0.22 2.02 -0.99 -0.39 112.91 114.75 1wov h THR 84 Ca -0.01 -0.80 -0.11 0.00 0.77 0.00 0.00 66.41 66.27 1wov h THR 84 Cb 0.97 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1wov h THR 84 CO 0.07 0.31 -0.29 0.22 0.37 0.00 0.00 175.52 176.20 1wov h TYR 85 N 0.91 0.76 0.00 3.16 3.20 -0.42 -1.06 116.97 123.52 1wov h TYR 85 Ca 0.21 -0.24 -0.05 0.00 3.14 0.00 0.00 58.73 61.79 1wov h TYR 85 Cb 0.25 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1wov h TYR 85 CO 0.02 0.97 -0.56 1.88 -1.64 0.00 0.00 178.16 178.82 1wov h TYR 86 N 0.34 0.00 0.00 -3.82 0.05 -0.75 -3.39 116.97 109.40 1wov h TYR 86 Ca 0.03 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1wov h TYR 86 Cb 0.86 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.60 1wov h TYR 86 CO 0.08 0.21 -0.66 0.66 -1.05 0.00 0.00 178.16 177.40 1wov n TYR 87 N -3.00 0.00 -0.46 4.88 4.01 -0.17 -5.07 117.16 117.34 1wov n TYR 87 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1wov n TYR 87 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.66 1wov n TYR 87 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wov n GLY 88 N 1.83 -2.22 0.24 2.72 0.00 -0.40 -4.44 105.19 102.92 1wov n GLY 88 Ca 0.00 -1.98 0.09 0.00 0.00 0.00 0.00 46.02 44.13 1wov n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wov h PRO 89 N 0.00 0.00 -0.84 1.61 0.13 -1.91 -2.13 132.00 128.87 1wov h PRO 89 Ca 0.00 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.74 1wov h PRO 89 Cb 0.00 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 30.90 1wov h PRO 89 CO 0.00 0.16 0.46 -1.71 -0.23 0.00 0.00 178.00 176.67 1wov n ASN 90 N -3.96 3.84 -0.35 1.44 5.15 -1.26 -4.65 115.26 115.47 1wov n ASN 90 Ca -0.02 -3.53 0.26 0.00 -0.60 0.00 0.00 54.58 50.69 1wov n ASN 90 Cb 0.25 -0.79 0.53 0.00 -0.53 0.00 0.00 39.78 39.24 1wov n ASN 90 CO 0.00 0.00 0.00 4.11 1.40 0.00 0.00 177.26 182.77 1wov h TRP 91 N 1.42 0.68 0.00 1.20 5.08 -1.59 -2.98 115.95 119.76 1wov h TRP 91 Ca 0.48 0.03 -0.13 0.00 1.08 0.00 0.00 58.89 60.35 1wov h TRP 91 Cb 2.56 -0.19 -0.02 0.00 -3.00 0.00 0.00 29.16 28.51 1wov h TRP 91 CO 1.43 -0.03 -0.60 0.37 -1.28 0.00 0.00 178.44 178.33 1wov h GLN 92 N 0.33 0.00 -0.00 0.12 4.15 -1.87 -0.20 115.11 117.62 1wov h GLN 92 Ca 0.67 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.09 1wov h GLN 92 Cb 1.76 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.45 1wov h GLN 92 CO -0.37 0.60 -0.36 1.04 -1.93 0.00 0.00 178.83 177.81 1wov n GLN 93 N -3.61 0.50 -0.11 1.69 6.02 -1.13 -4.24 117.38 116.49 1wov n GLN 93 Ca -0.00 -0.29 -0.17 0.00 -0.01 0.00 0.00 57.00 56.52 1wov n GLN 93 Cb 0.65 -1.49 -0.13 0.00 1.02 0.00 0.00 30.24 30.29 1wov n GLN 93 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1wov n ILE 94 N -1.00 1.51 -1.37 5.09 5.41 -0.18 -5.03 119.36 123.80 1wov n ILE 94 Ca 0.09 -0.62 -0.29 0.00 1.00 0.00 0.00 62.75 62.93 1wov n ILE 94 Cb 0.34 -1.31 0.13 0.00 -0.71 0.00 0.00 39.64 38.09 1wov n ILE 94 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 1wov s ILE 95 N -2.52 2.57 -0.12 1.39 -4.36 -0.67 -5.06 121.20 112.43 1wov s ILE 95 Ca -0.30 0.19 -0.15 0.00 -0.26 0.00 0.00 60.65 60.13 1wov s ILE 95 Cb 0.08 -2.80 0.04 0.00 1.25 0.00 0.00 42.46 41.03 1wov s ILE 95 CO 0.65 -0.24 0.40 -1.10 0.24 0.00 0.00 174.94 174.89 1wov s GLN 96 N -5.07 0.55 0.25 0.37 -0.21 -1.26 -5.03 119.66 109.26 1wov s GLN 96 Ca 0.63 0.39 -0.28 0.00 0.02 0.00 0.00 55.36 56.12 1wov s GLN 96 Cb -0.16 0.26 -0.09 0.00 1.00 0.00 0.00 33.01 34.02 1wov s GLN 96 CO 0.56 -0.10 0.92 -1.25 -2.12 0.00 0.00 175.29 173.30 1wov s PRO 97 N -0.19 4.75 1.03 2.91 0.04 -1.26 -4.73 135.00 137.55 1wov s PRO 97 Ca -0.03 1.40 -0.15 0.00 0.04 0.00 0.00 61.00 62.26 1wov s PRO 97 Cb -0.03 -3.15 0.20 0.00 0.04 0.00 0.00 34.50 31.56 1wov s PRO 97 CO 0.02 0.46 1.13 0.95 0.04 0.00 0.00 177.00 179.60 1wov s THR 98 N -1.29 1.89 0.26 1.26 -4.23 -1.26 -4.82 115.64 107.45 1wov s THR 98 Ca 0.43 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.91 1wov s THR 98 Cb -0.24 -2.62 0.15 0.00 1.34 0.00 0.00 72.50 71.14 1wov s THR 98 CO 0.29 0.00 1.81 -0.65 -0.54 0.00 0.00 174.62 175.53 1wov h PRO 99 N -1.96 0.91 0.00 3.99 0.11 -1.97 -2.03 132.00 131.06 1wov h PRO 99 Ca -0.50 -0.19 -0.11 0.00 0.11 0.00 0.00 66.00 65.31 1wov h PRO 99 Cb 1.31 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1wov h PRO 99 CO 0.51 0.81 -0.54 0.00 -0.21 0.00 0.00 178.00 178.57 1wov h ALA 101 N 1.46 1.30 -0.12 0.00 0.00 -1.73 -2.24 119.26 117.93 1wov h ALA 101 Ca -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1wov h ALA 101 Cb 1.21 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1wov h ALA 101 CO 0.07 0.47 0.05 0.87 0.00 0.00 0.00 179.25 180.71 1wov h LYS 102 N 0.34 0.17 -0.82 0.00 1.57 -1.20 -0.30 116.57 116.33 1wov h LYS 102 Ca 0.06 -0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.95 1wov h LYS 102 Cb 0.51 -0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.70 1wov h LYS 102 CO 0.03 0.26 0.41 0.82 -0.57 0.00 0.00 179.45 180.41 1wov h ILE 103 N 0.05 0.75 0.02 1.86 1.08 -1.47 -0.88 117.51 118.92 1wov h ILE 103 Ca 0.04 -0.21 -0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1wov h ILE 103 Cb 0.15 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 33.98 1wov h ILE 103 CO -0.00 0.11 -0.01 0.22 -0.69 0.00 0.00 178.15 177.78 1wov h TYR 104 N 0.61 -0.02 -0.55 1.37 5.03 -0.89 -1.12 116.97 121.41 1wov h TYR 104 Ca 0.44 -0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.73 1wov h TYR 104 Cb 0.59 0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.85 1wov h TYR 104 CO -0.10 0.15 0.27 0.28 -1.32 0.00 0.00 178.16 177.44 1wov h VAL 105 N -0.19 1.18 -0.14 1.81 2.07 -0.80 -1.77 116.25 118.41 1wov h VAL 105 Ca -0.00 -0.49 -0.15 0.00 0.82 0.00 0.00 66.70 66.88 1wov h VAL 105 Cb 0.18 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1wov h VAL 105 CO 0.00 0.21 -0.54 0.44 0.02 0.00 0.00 177.57 177.70 1wov h ASP 106 N 0.76 0.44 -0.46 0.57 3.32 -0.92 -2.10 116.42 118.04 1wov h ASP 106 Ca 0.19 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1wov h ASP 106 Cb 0.07 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1wov h ASP 106 CO -0.03 0.90 0.28 -0.09 -1.72 0.00 0.00 179.24 178.58 1wov h ARG 107 N 0.31 0.62 -0.67 3.56 9.65 -0.36 -0.80 114.38 126.70 1wov h ARG 107 Ca 0.01 -0.06 0.01 0.00 -1.10 0.00 0.00 59.98 58.84 1wov h ARG 107 Cb 1.05 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 29.46 1wov h ARG 107 CO 0.09 0.46 0.44 -0.07 2.80 0.00 0.00 179.97 183.69 1wov h LEU 108 N 0.61 0.75 -0.86 3.80 3.38 -1.33 -2.15 115.31 119.52 1wov h LEU 108 Ca 0.17 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 1wov h LEU 108 Cb -0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1wov h LEU 108 CO -0.03 0.54 -0.44 0.11 0.09 0.00 0.00 178.44 178.70 1wov h LYS 109 N 0.89 0.27 0.35 1.13 1.57 -1.12 -1.53 116.57 118.13 1wov h LYS 109 Ca 0.25 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 1wov h LYS 109 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1wov h LYS 109 CO -0.07 0.67 -0.17 1.15 -0.57 0.00 0.00 179.45 180.47 1wov h THR 110 N 0.23 0.67 -0.17 -0.16 2.02 -0.96 -3.18 112.91 111.34 1wov h THR 110 Ca 0.02 -0.31 -0.11 0.00 0.77 0.00 0.00 66.41 66.78 1wov h THR 110 Cb 0.88 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 1wov h THR 110 CO 0.07 0.06 -0.37 0.16 0.37 0.00 0.00 175.52 175.81 1wov h ILE 111 N -0.64 1.30 -0.17 3.11 3.07 -1.22 -1.72 117.51 121.23 1wov h ILE 111 Ca -0.05 -1.47 0.05 0.00 1.55 0.00 0.00 64.86 64.94 1wov h ILE 111 Cb 0.46 1.57 -0.01 0.00 -0.27 0.00 0.00 36.82 38.58 1wov h ILE 111 CO 0.08 0.45 0.12 0.00 -1.05 0.00 0.00 178.15 177.75 1wov h ALA 112 N 1.30 2.15 0.00 0.16 0.00 -1.29 0.26 119.26 121.84 1wov h ALA 112 Ca 0.03 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.59 1wov h ALA 112 Cb 0.80 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 1wov h ALA 112 CO 0.06 -0.21 -2.21 0.00 0.00 0.00 0.00 179.25 176.90 1wov n ALA 113 N -2.57 1.49 -0.09 0.00 0.00 -0.99 -4.36 120.51 113.99 1wov n ALA 113 Ca 0.01 -1.18 -0.10 0.00 0.00 0.00 0.00 53.44 52.16 1wov n ALA 113 Cb 0.25 -0.36 -0.13 0.00 0.00 0.00 0.00 19.45 19.22 1wov n ALA 113 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wov n SER 114 N -2.84 1.04 -2.82 0.00 7.64 -0.68 -4.88 113.62 111.07 1wov n SER 114 Ca -0.29 -0.03 -0.11 0.00 1.01 0.00 0.00 58.87 59.45 1wov n SER 114 Cb 1.13 0.62 0.05 0.00 -1.01 0.00 0.00 64.21 65.00 1wov n SER 114 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1wov n GLU 115 N -2.78 0.93 0.30 1.43 1.02 0.84 -5.04 120.64 117.34 1wov n GLU 115 Ca -0.32 -2.13 0.18 0.00 -0.02 0.00 0.00 57.16 54.87 1wov n GLU 115 Cb 1.04 -1.25 0.95 0.00 -0.02 0.00 0.00 31.44 32.16 1wov n GLU 115 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1wov h PRO 116 N 3.34 0.00 -0.02 3.49 0.13 -1.55 -0.84 132.00 136.55 1wov h PRO 116 Ca -0.08 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.06 1wov h PRO 116 Cb 1.05 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 1wov h PRO 116 CO 0.25 0.03 0.06 1.05 -0.23 0.00 0.00 178.00 179.16 1wov h GLU 117 N 0.00 0.00 0.00 0.86 9.09 -1.95 -0.62 114.58 121.96 1wov h GLU 117 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1wov h GLU 117 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.28 1wov h GLU 117 CO 0.00 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.34 1wov n LEU 118 N -3.35 0.52 0.27 3.06 4.77 -0.32 -1.87 117.00 120.08 1wov n LEU 118 Ca -0.02 0.62 0.11 0.00 -0.03 0.00 0.00 56.01 56.68 1wov n LEU 118 Cb 0.13 -0.54 0.73 0.00 -2.33 0.00 0.00 43.42 41.41 1wov n LEU 118 CO 0.22 -0.46 1.07 -0.07 -1.33 0.00 0.00 177.39 176.81 1wov h LEU 119 N 0.00 0.00 -0.92 2.23 3.38 -1.30 -2.10 115.31 116.60 1wov h LEU 119 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 1wov h LEU 119 Cb 0.36 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 1wov h LEU 119 CO 0.00 0.03 0.57 0.40 0.09 0.00 0.00 178.44 179.53 1wov h ILE 120 N 0.00 1.03 -0.74 1.22 2.04 -1.56 -0.31 117.51 119.19 1wov h ILE 120 Ca -0.00 -0.35 0.07 0.00 1.00 0.00 0.00 64.86 65.58 1wov h ILE 120 Cb 0.05 -0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 36.00 1wov h ILE 120 CO 0.00 0.19 0.49 0.00 0.00 0.00 0.00 178.15 178.83 1wov h ALA 121 N 1.44 1.71 0.17 1.87 0.00 -1.58 -1.81 119.26 121.06 1wov h ALA 121 Ca 0.41 -0.02 -0.30 0.00 0.00 0.00 0.00 54.91 55.00 1wov h ALA 121 Cb 0.23 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1wov h ALA 121 CO -0.19 0.16 -1.40 0.45 0.00 0.00 0.00 179.25 178.27 1wov h HIS 122 N 0.75 0.65 -0.36 0.00 3.86 -1.25 -1.15 115.15 117.67 1wov h HIS 122 Ca 0.32 -0.48 0.06 0.00 -1.16 0.00 0.00 60.37 59.12 1wov h HIS 122 Cb 0.29 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 28.68 1wov h HIS 122 CO -0.00 1.41 0.00 0.00 0.86 0.00 0.00 177.93 180.20 1wov h TYR 124 N 0.10 -0.83 -0.76 0.00 3.20 -1.32 -0.21 116.97 117.14 1wov h TYR 124 Ca 0.17 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 1wov h TYR 124 Cb 0.24 0.28 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 1wov h TYR 124 CO -0.25 -0.52 0.41 1.15 -1.64 0.00 0.00 178.16 177.32 1wov h THR 125 N -0.91 1.23 0.00 1.81 2.02 -1.07 -2.65 112.91 113.34 1wov h THR 125 Ca -0.09 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.51 1wov h THR 125 Cb 0.69 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1wov h THR 125 CO 0.15 0.26 -0.23 0.03 0.37 0.00 0.00 175.52 176.10 1wov h ARG 126 N 1.07 0.00 -0.50 6.66 2.47 -1.32 -3.26 114.38 119.49 1wov h ARG 126 Ca 0.27 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.86 1wov h ARG 126 Cb 0.04 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 1wov h ARG 126 CO -0.04 0.00 -0.18 1.88 0.56 0.00 0.00 179.97 182.19 1wov h TYR 127 N -0.90 1.14 0.00 3.04 0.05 -1.12 -0.69 116.97 118.49 1wov h TYR 127 Ca 0.00 -0.26 -0.03 0.00 0.05 0.00 0.00 58.73 58.48 1wov h TYR 127 Cb 0.23 -0.27 -0.00 0.00 1.01 0.00 0.00 36.73 37.69 1wov h TYR 127 CO -0.10 1.09 -0.16 -0.07 -1.05 0.00 0.00 178.16 177.87 1wov h LEU 128 N 0.86 0.00 -0.14 3.88 3.38 -1.57 -2.32 115.31 119.40 1wov h LEU 128 Ca 0.12 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.85 1wov h LEU 128 Cb 0.75 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.51 1wov h LEU 128 CO 0.06 0.16 -0.95 1.23 0.09 0.00 0.00 178.44 179.03 1wov h GLY 129 N 1.43 0.57 1.61 0.83 0.00 -1.48 -2.56 103.07 103.47 1wov h GLY 129 Ca -0.00 -0.98 -0.03 0.00 0.00 0.00 0.00 47.33 46.32 1wov h GLY 129 CO 0.02 0.87 0.09 -0.55 0.00 0.00 0.00 176.54 176.97 1wov h ASP 130 N 0.29 0.46 -0.05 0.19 3.32 -0.72 -1.44 116.42 118.48 1wov h ASP 130 Ca -0.09 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1wov h ASP 130 Cb 1.59 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 41.02 1wov h ASP 130 CO 0.17 0.46 0.00 0.18 -1.72 0.00 0.00 179.24 178.33 1wov n LEU 131 N -4.36 1.45 0.00 1.55 4.77 -0.91 -3.68 117.00 115.82 1wov n LEU 131 Ca 0.02 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 1wov n LEU 131 Cb 0.17 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1wov n LEU 131 CO 0.37 0.26 0.00 -1.20 -1.33 0.00 0.00 177.39 175.49 1wov n SER 132 N 0.14 0.00 -0.32 -1.43 7.64 -0.76 -4.76 113.62 114.12 1wov n SER 132 Ca 0.19 0.00 0.17 0.00 1.01 0.00 0.00 58.87 60.24 1wov n SER 132 Cb 0.33 0.00 0.37 0.00 -1.01 0.00 0.00 64.21 63.91 1wov n SER 132 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1wov h GLY 133 N 0.00 1.76 2.00 0.23 0.00 -1.80 -1.59 103.07 103.67 1wov h GLY 133 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 1wov h GLY 133 CO 0.00 -0.34 -0.00 -1.33 0.00 0.00 0.00 176.54 174.86 1wov h GLY 134 N 0.39 0.00 2.00 4.60 0.00 -1.44 0.67 103.07 109.30 1wov h GLY 134 Ca 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.96 1wov h GLY 134 CO -0.56 0.00 -0.00 1.46 0.00 0.00 0.00 176.54 177.44 1wov h GLN 135 N 0.00 0.00 0.19 4.80 1.08 -1.36 0.22 115.11 120.04 1wov h GLN 135 Ca -0.00 0.00 -0.32 0.00 -1.45 0.00 0.00 58.65 56.88 1wov h GLN 135 Cb 0.13 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.57 1wov h GLN 135 CO 0.00 0.00 -1.54 0.77 -0.95 0.00 0.00 178.83 177.11 1wov h SER 136 N 0.00 0.61 -0.97 1.46 0.02 -0.98 -3.25 113.55 110.43 1wov h SER 136 Ca -0.00 -0.92 0.09 0.00 -0.84 0.00 0.00 61.79 60.12 1wov h SER 136 Cb 0.84 -0.20 -0.07 0.00 0.14 0.00 0.00 62.40 63.10 1wov h SER 136 CO 0.00 1.71 0.61 -0.07 -1.14 0.00 0.00 176.83 177.94 1wov h LEU 137 N -0.01 0.94 -0.29 5.07 3.38 -1.16 -2.49 115.31 120.75 1wov h LEU 137 Ca -0.30 0.03 0.07 0.00 0.09 0.00 0.00 57.88 57.77 1wov h LEU 137 Cb 2.01 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 42.51 1wov h LEU 137 CO 0.17 0.56 -0.25 0.50 0.09 0.00 0.00 178.44 179.51 1wov h LYS 138 N 1.05 -0.23 -0.81 1.13 3.64 -1.01 -0.39 116.57 119.95 1wov h LYS 138 Ca 0.45 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.83 1wov h LYS 138 Cb 0.31 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 1wov h LYS 138 CO -0.22 -0.15 0.44 -0.91 -2.27 0.00 0.00 179.45 176.34 1wov h ASN 139 N -0.24 1.01 -0.40 4.20 2.35 -1.49 -1.32 115.58 119.68 1wov h ASN 139 Ca 0.15 -0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.71 1wov h ASN 139 Cb 0.48 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1wov h ASN 139 CO -0.43 0.81 -0.17 0.40 -1.65 0.00 0.00 177.43 176.39 1wov h ILE 140 N 1.13 1.28 -0.01 2.81 2.04 -1.07 -2.06 117.51 121.63 1wov h ILE 140 Ca 0.28 -1.30 -0.00 0.00 1.00 0.00 0.00 64.86 64.85 1wov h ILE 140 Cb 0.04 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1wov h ILE 140 CO -0.04 0.43 0.00 0.40 0.00 0.00 0.00 178.15 178.94 1wov h ILE 141 N 0.63 1.13 -0.93 -0.67 2.04 -0.84 0.17 117.51 119.04 1wov h ILE 141 Ca 0.09 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1wov h ILE 141 Cb 0.72 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 38.13 1wov h ILE 141 CO 0.05 0.10 0.57 0.03 0.00 0.00 0.00 178.15 178.91 1wov h ARG 142 N -0.15 1.26 -0.06 2.37 3.08 -1.10 -1.48 114.38 118.31 1wov h ARG 142 Ca 0.00 -0.11 -0.11 0.00 0.07 0.00 0.00 59.98 59.83 1wov h ARG 142 Cb 0.16 -0.27 0.01 0.00 0.08 0.00 0.00 29.97 29.95 1wov h ARG 142 CO -0.00 0.87 -0.41 1.03 -1.07 0.00 0.00 179.97 180.40 1wov h SER 143 N 1.28 0.45 0.12 7.04 0.87 -1.21 -1.36 113.55 120.75 1wov h SER 143 Ca 0.34 -0.68 0.01 0.00 -1.23 0.00 0.00 61.79 60.22 1wov h SER 143 Cb -0.07 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 1wov h SER 143 CO -0.06 1.07 -0.15 0.00 -0.53 0.00 0.00 176.83 177.15 1wov h ALA 144 N 0.40 -0.27 -0.01 6.23 0.00 -0.64 -2.94 119.26 122.03 1wov h ALA 144 Ca -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1wov h ALA 144 Cb 1.08 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1wov h ALA 144 CO 0.08 -0.68 -0.05 1.28 0.00 0.00 0.00 179.25 179.89 1wov n LEU 145 N -5.27 0.85 -3.82 0.00 4.77 -0.56 -4.95 117.00 108.02 1wov n LEU 145 Ca -0.07 -0.24 -0.24 0.00 -0.03 0.00 0.00 56.01 55.44 1wov n LEU 145 Cb 0.19 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1wov n LEU 145 CO 0.30 0.15 -0.15 0.00 -1.33 0.00 0.00 177.39 176.35 1wov n GLN 146 N -0.46 -3.96 -2.35 3.23 1.13 -0.55 -4.94 117.38 109.49 1wov n GLN 146 Ca 0.18 0.51 -0.33 0.00 -1.94 0.00 0.00 57.00 55.42 1wov n GLN 146 Cb 0.28 -4.82 -0.02 0.00 0.11 0.00 0.00 30.24 25.79 1wov n GLN 146 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1wov s LEU 147 N -6.80 3.69 0.40 1.08 1.43 -0.98 -5.04 118.68 112.47 1wov s LEU 147 Ca 0.02 1.83 -0.13 0.00 -1.03 0.00 0.00 54.13 54.83 1wov s LEU 147 Cb -0.01 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.60 1wov s LEU 147 CO 0.85 -0.89 0.80 -2.16 0.23 0.00 0.00 176.35 175.18 1wov s PRO 148 N -3.65 3.87 -0.37 1.29 0.04 -1.26 -4.94 135.00 129.98 1wov s PRO 148 Ca 0.65 0.61 -0.40 0.00 0.04 0.00 0.00 61.00 61.90 1wov s PRO 148 Cb -0.15 -2.35 -0.18 0.00 0.04 0.00 0.00 34.50 31.86 1wov s PRO 148 CO 0.27 -0.03 1.33 0.39 0.04 0.00 0.00 177.00 179.00 1wov n GLU 149 N -1.12 0.00 -0.44 4.56 -0.58 -1.26 -2.74 120.64 119.06 1wov n GLU 149 Ca 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1wov n GLU 149 Cb 0.54 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 30.09 1wov n GLU 149 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wov n GLY 150 N 3.14 0.75 3.14 0.62 0.00 -1.26 -5.04 105.19 106.54 1wov n GLY 150 Ca 0.26 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.04 1wov n GLY 150 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wov s GLU 151 N -0.56 1.28 0.00 1.61 0.41 -1.11 -4.92 118.70 115.41 1wov s GLU 151 Ca 0.00 -0.57 0.00 0.00 -0.41 0.00 0.00 54.97 53.99 1wov s GLU 151 Cb 0.00 -1.24 0.00 0.00 -1.78 0.00 0.00 34.13 31.11 1wov s GLU 151 CO 0.00 0.34 0.00 0.41 -0.49 0.00 0.00 175.26 175.52 1wov n GLY 152 N 2.66 0.78 2.02 -1.39 0.00 -1.26 -4.57 105.19 103.44 1wov n GLY 152 Ca -0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 1wov n GLY 152 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1wov n THR 153 N -2.00 1.26 0.02 2.61 -2.24 -1.26 -4.86 114.28 107.81 1wov n THR 153 Ca 0.00 -2.66 0.11 0.00 -2.27 0.00 0.00 64.05 59.23 1wov n THR 153 Cb 0.00 0.57 0.55 0.00 -2.10 0.00 0.00 70.33 69.35 1wov n THR 153 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wov h ALA 154 N 1.87 2.04 -0.67 6.98 0.00 -1.90 -1.86 119.26 125.73 1wov h ALA 154 Ca -0.05 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.04 1wov h ALA 154 Cb 1.46 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1wov h ALA 154 CO 0.24 -0.13 0.48 1.98 0.00 0.00 0.00 179.25 181.82 1wov h MET 155 N 0.28 0.00 -0.50 0.00 -1.53 -1.89 -1.81 114.93 109.48 1wov h MET 155 Ca 0.19 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.45 1wov h MET 155 Cb 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.46 1wov h MET 155 CO -0.04 0.00 0.00 0.66 0.14 0.00 0.00 176.91 177.67 1wov n TYR 156 N -4.32 1.13 -4.00 1.39 4.01 -0.70 -4.90 117.16 109.77 1wov n TYR 156 Ca 0.13 -0.64 -0.34 0.00 -0.16 0.00 0.00 57.90 56.89 1wov n TYR 156 Cb 0.74 -0.20 -0.15 0.00 -0.31 0.00 0.00 39.34 39.42 1wov n TYR 156 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1wov s GLU 157 N -1.84 3.24 -0.26 -0.72 2.02 -0.68 -4.93 118.70 115.53 1wov s GLU 157 Ca 0.43 -0.70 -0.02 0.00 0.02 0.00 0.00 54.97 54.70 1wov s GLU 157 Cb 0.28 -2.85 0.03 0.00 0.10 0.00 0.00 34.13 31.69 1wov s GLU 157 CO 0.19 -0.20 -0.04 -0.06 0.02 0.00 0.00 175.26 175.18 1wov s PHE 158 N 1.39 3.12 0.23 1.61 0.40 -1.26 -5.00 117.98 118.48 1wov s PHE 158 Ca 0.05 -1.60 -0.06 0.00 -0.60 0.00 0.00 56.93 54.72 1wov s PHE 158 Cb -0.14 -2.08 0.21 0.00 0.51 0.00 0.00 43.02 41.52 1wov s PHE 158 CO -0.07 -0.74 1.79 -0.44 0.70 0.00 0.00 175.22 176.47 1wov h ASP 159 N 8.02 1.04 0.86 1.36 3.32 -1.98 -1.23 116.42 127.80 1wov h ASP 159 Ca -0.30 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1wov h ASP 159 Cb 1.10 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1wov h ASP 159 CO 0.56 0.93 0.00 -1.54 -1.72 0.00 0.00 179.24 177.48 1wov n SER 160 N -4.28 0.00 -3.22 6.45 3.41 -1.26 -4.41 113.62 110.32 1wov n SER 160 Ca 0.07 0.47 -0.25 0.00 -0.26 0.00 0.00 58.87 58.90 1wov n SER 160 Cb 0.19 -0.49 -0.06 0.00 -0.26 0.00 0.00 64.21 63.59 1wov n SER 160 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1wov n LEU 161 N -1.49 2.36 0.18 1.04 4.77 -0.46 -4.95 117.00 118.44 1wov n LEU 161 Ca 0.06 -5.20 0.04 0.00 -0.03 0.00 0.00 56.01 50.88 1wov n LEU 161 Cb 0.29 -0.03 0.34 0.00 -2.33 0.00 0.00 43.42 41.69 1wov n LEU 161 CO 0.23 2.16 0.67 1.55 -1.33 0.00 0.00 177.39 180.68 1wov h PRO 162 N 3.68 0.00 -6.20 3.23 0.13 -1.77 -3.43 132.00 127.65 1wov h PRO 162 Ca 0.13 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.75 1wov h PRO 162 Cb 0.75 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.82 1wov h PRO 162 CO 0.67 0.41 -0.54 0.95 -0.23 0.00 0.00 178.00 179.25 1wov s THR 163 N -3.84 4.18 0.31 1.56 -4.23 -1.26 -5.02 115.64 107.34 1wov s THR 163 Ca -0.01 -1.50 -0.01 0.00 -1.18 0.00 0.00 61.69 58.98 1wov s THR 163 Cb 0.13 -3.28 0.26 0.00 1.34 0.00 0.00 72.50 70.95 1wov s THR 163 CO 0.71 -0.34 1.97 -0.65 -0.54 0.00 0.00 174.62 175.77 1wov h PRO 164 N 1.55 1.04 -0.84 3.99 0.11 -1.99 0.10 132.00 135.96 1wov h PRO 164 Ca -0.47 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.54 1wov h PRO 164 Cb 1.24 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 1wov h PRO 164 CO 0.61 0.69 0.40 0.78 -0.21 0.00 0.00 178.00 180.27 1wov h GLY 165 N 1.07 1.30 1.53 -0.55 0.00 -1.97 0.90 103.07 105.35 1wov h GLY 165 Ca 0.30 -0.65 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 1wov h GLY 165 CO -0.07 0.61 -0.13 -0.55 0.00 0.00 0.00 176.54 176.41 1wov h ASP 166 N 1.20 0.55 -0.09 0.19 3.32 -1.40 -1.35 116.42 118.84 1wov h ASP 166 Ca 0.29 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 1wov h ASP 166 Cb 0.12 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1wov h ASP 166 CO -0.04 0.71 -0.12 0.03 -1.72 0.00 0.00 179.24 178.11 1wov h ARG 167 N 0.52 0.24 -0.39 3.56 3.08 -0.70 -1.33 114.38 119.36 1wov h ARG 167 Ca 0.09 -0.14 0.08 0.00 0.07 0.00 0.00 59.98 60.08 1wov h ARG 167 Cb 0.53 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.52 1wov h ARG 167 CO 0.03 0.69 -0.10 0.00 -1.07 0.00 0.00 179.97 179.53 1wov h ARG 168 N -0.19 0.00 0.00 0.04 3.08 -0.73 -1.79 114.38 114.80 1wov h ARG 168 Ca 0.01 -0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 1wov h ARG 168 Cb 0.66 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 1wov h ARG 168 CO 0.03 0.00 -0.52 1.96 -1.07 0.00 0.00 179.97 180.37 1wov h GLN 169 N 0.00 0.00 0.12 0.04 4.20 -1.19 -1.45 115.11 116.83 1wov h GLN 169 Ca 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 1wov h GLN 169 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1wov h GLN 169 CO -0.40 0.52 -0.06 0.35 -0.67 0.00 0.00 178.83 178.57 1wov h PHE 170 N 0.00 -0.15 -0.65 2.96 3.57 -1.05 -1.90 116.94 119.73 1wov h PHE 170 Ca -0.01 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.60 1wov h PHE 170 Cb 0.92 0.05 -0.08 0.00 2.79 0.00 0.00 35.95 39.63 1wov h PHE 170 CO 0.00 0.07 0.23 0.87 -2.23 0.00 0.00 178.31 177.25 1wov h LYS 171 N -0.34 0.39 -0.20 1.11 1.57 -1.18 0.10 116.57 118.02 1wov h LYS 171 Ca -0.02 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1wov h LYS 171 Cb 0.28 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 1wov h LYS 171 CO 0.03 0.25 -0.14 0.93 -0.57 0.00 0.00 179.45 179.95 1wov h GLU 172 N 0.40 -0.13 0.00 3.15 5.08 -1.14 -0.91 114.58 121.03 1wov h GLU 172 Ca 0.33 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.64 1wov h GLU 172 Cb 0.45 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1wov h GLU 172 CO -0.35 -0.09 -0.32 -0.84 -1.00 0.00 0.00 179.01 176.42 1wov h ILE 173 N -0.13 0.79 -0.34 3.13 -0.00 -0.83 -2.19 117.51 117.94 1wov h ILE 173 Ca 0.12 -1.36 -0.14 0.00 -0.00 0.00 0.00 64.86 63.48 1wov h ILE 173 Cb 0.31 1.85 -0.01 0.00 -0.00 0.00 0.00 36.82 38.97 1wov h ILE 173 CO -0.28 0.31 -0.36 0.22 -0.00 0.00 0.00 178.15 178.04 1wov h TYR 174 N 0.00 0.94 -0.50 0.16 5.03 -0.36 0.98 116.97 123.22 1wov h TYR 174 Ca -0.00 -0.27 -0.04 0.00 2.58 0.00 0.00 58.73 61.00 1wov h TYR 174 Cb 0.82 -0.20 -0.02 0.00 1.55 0.00 0.00 36.73 38.88 1wov h TYR 174 CO 0.00 1.04 0.17 0.00 -1.32 0.00 0.00 178.16 178.05 1wov h ARG 175 N 0.66 0.77 -0.77 1.82 3.08 -0.93 -0.36 114.38 118.65 1wov h ARG 175 Ca 0.06 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 59.99 1wov h ARG 175 Cb 0.92 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.80 1wov h ARG 175 CO 0.08 0.71 0.49 -0.44 -1.07 0.00 0.00 179.97 179.74 1wov h ASP 176 N 0.68 0.81 -0.62 7.04 3.32 -0.89 -1.84 116.42 124.91 1wov h ASP 176 Ca 0.16 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 1wov h ASP 176 Cb 0.25 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1wov h ASP 176 CO -0.01 0.55 0.25 0.58 -1.72 0.00 0.00 179.24 178.90 1wov h VAL 177 N 0.95 1.23 -0.52 -1.35 2.07 -0.06 -1.05 116.25 117.51 1wov h VAL 177 Ca 0.31 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 67.13 1wov h VAL 177 Cb 0.02 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 1wov h VAL 177 CO -0.12 0.29 0.31 -0.07 0.02 0.00 0.00 177.57 178.01 1wov h LEU 178 N 0.94 0.51 -1.72 2.57 3.38 -0.46 -1.48 115.31 119.05 1wov h LEU 178 Ca 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1wov h LEU 178 Cb 0.19 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1wov h LEU 178 CO -0.02 0.36 -0.09 0.78 0.09 0.00 0.00 178.44 179.56 1wov h ASN 179 N 0.62 0.00 1.96 -0.43 2.35 -1.01 -2.91 115.58 116.16 1wov h ASN 179 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1wov h ASN 179 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1wov h ASN 179 CO -0.10 0.09 -0.01 0.77 -1.65 0.00 0.00 177.43 176.53 1wov h SER 180 N 0.00 0.00 -2.87 5.81 4.64 -0.12 -0.78 113.55 120.23 1wov h SER 180 Ca -0.00 -0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1wov h SER 180 Cb 0.45 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.60 1wov h SER 180 CO 0.01 0.00 0.97 0.18 -0.87 0.00 0.00 176.83 177.12 1wov n LEU 181 N -3.04 4.13 -3.34 5.97 4.77 -1.05 -4.88 117.00 119.56 1wov n LEU 181 Ca 0.04 1.09 -0.34 0.00 -0.03 0.00 0.00 56.01 56.77 1wov n LEU 181 Cb 0.52 -1.58 -0.02 0.00 -2.33 0.00 0.00 43.42 40.01 1wov n LEU 181 CO 0.34 0.17 2.93 -0.81 -1.33 0.00 0.00 177.39 178.69 1wov n PRO 182 N 3.35 2.97 -4.07 3.23 -0.04 -1.26 -4.80 135.00 134.37 1wov n PRO 182 Ca 0.13 -2.00 -0.33 0.00 -0.04 0.00 0.00 63.50 61.27 1wov n PRO 182 Cb 0.35 -2.76 -0.07 0.00 -0.04 0.00 0.00 33.50 30.99 1wov n PRO 182 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wov s LEU 183 N 0.45 3.97 0.74 1.53 1.43 -1.26 -5.12 118.68 120.42 1wov s LEU 183 Ca 0.57 0.18 -0.06 0.00 -1.03 0.00 0.00 54.13 53.79 1wov s LEU 183 Cb 0.15 -2.31 0.10 0.00 0.03 0.00 0.00 46.19 44.16 1wov s LEU 183 CO -0.04 0.28 1.04 1.51 0.23 0.00 0.00 176.35 179.36 1wov s ASP 184 N -1.74 4.45 0.23 2.29 1.47 -1.26 -4.88 116.67 117.23 1wov s ASP 184 Ca 0.23 0.17 -0.06 0.00 1.18 0.00 0.00 52.55 54.07 1wov s ASP 184 Cb -0.12 -0.67 0.33 0.00 -0.34 0.00 0.00 42.92 42.12 1wov s ASP 184 CO 0.14 -1.82 1.82 -0.08 0.68 0.00 0.00 175.17 175.91 1wov h GLU 185 N -0.69 0.77 -0.29 2.11 4.81 -1.99 -1.70 114.58 117.59 1wov h GLU 185 Ca -0.42 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 58.65 1wov h GLU 185 Cb 1.29 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 1wov h GLU 185 CO 0.51 0.51 -0.26 0.00 -0.73 0.00 0.00 179.01 179.03 1wov h ALA 186 N 1.41 0.43 0.01 2.92 0.00 -2.00 -1.99 119.26 120.05 1wov h ALA 186 Ca 0.36 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1wov h ALA 186 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1wov h ALA 186 CO -0.21 0.42 -0.05 1.15 0.00 0.00 0.00 179.25 180.56 1wov h THR 187 N 0.44 0.87 -0.98 0.00 2.02 -1.91 -2.21 112.91 111.14 1wov h THR 187 Ca 0.05 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.36 1wov h THR 187 Cb 0.82 0.87 -0.09 0.00 -1.74 0.00 0.00 68.15 68.01 1wov h THR 187 CO 0.07 0.00 0.61 0.40 0.37 0.00 0.00 175.52 176.96 1wov h ILE 188 N -0.10 0.88 -0.06 3.11 2.04 -1.19 -0.17 117.51 122.02 1wov h ILE 188 Ca 0.02 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 1wov h ILE 188 Cb 0.12 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.06 1wov h ILE 188 CO -0.05 0.17 -0.34 0.78 0.00 0.00 0.00 178.15 178.72 1wov h ASN 189 N 0.93 0.11 -0.23 1.72 2.35 -1.13 -0.71 115.58 118.62 1wov h ASN 189 Ca 0.50 -0.04 -0.16 0.00 -0.55 0.00 0.00 56.30 56.06 1wov h ASN 189 Cb 0.55 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1wov h ASN 189 CO -0.29 0.44 -0.47 0.03 -1.65 0.00 0.00 177.43 175.50 1wov h ARG 190 N 0.09 0.72 -0.61 0.81 3.08 -0.72 -1.29 114.38 116.47 1wov h ARG 190 Ca 0.01 -0.47 -0.05 0.00 0.07 0.00 0.00 59.98 59.54 1wov h ARG 190 Cb 0.65 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 1wov h ARG 190 CO 0.05 1.09 0.17 0.82 -1.07 0.00 0.00 179.97 181.03 1wov h ILE 191 N 0.44 1.25 -0.37 2.04 2.04 -0.64 -0.99 117.51 121.28 1wov h ILE 191 Ca 0.01 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 64.99 1wov h ILE 191 Cb 1.08 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 1wov h ILE 191 CO 0.10 0.33 0.24 0.58 0.00 0.00 0.00 178.15 179.40 1wov h VAL 192 N 0.88 1.10 -0.99 1.67 2.07 -1.00 -0.21 116.25 119.77 1wov h VAL 192 Ca 0.19 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1wov h VAL 192 Cb 0.33 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 30.60 1wov h VAL 192 CO -0.00 0.10 0.63 -0.08 0.02 0.00 0.00 177.57 178.24 1wov h GLU 193 N 0.50 1.10 -0.33 1.57 4.81 -1.09 -1.91 114.58 119.22 1wov h GLU 193 Ca 0.13 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.18 1wov h GLU 193 Cb -0.04 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.07 1wov h GLU 193 CO -0.03 0.73 -0.27 1.49 -0.73 0.00 0.00 179.01 180.20 1wov h GLU 194 N 1.13 0.68 -0.74 1.92 4.57 -0.66 -1.52 114.58 119.96 1wov h GLU 194 Ca 0.44 -0.29 -0.03 0.00 -1.18 0.00 0.00 59.36 58.30 1wov h GLU 194 Cb 0.21 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 1wov h GLU 194 CO -0.19 0.88 0.36 0.00 -1.18 0.00 0.00 179.01 178.89 1wov h ALA 195 N 1.11 1.24 -0.75 2.92 0.00 -0.69 0.43 119.26 123.51 1wov h ALA 195 Ca 0.08 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1wov h ALA 195 Cb 0.77 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1wov h ALA 195 CO 0.06 0.59 0.24 -0.91 0.00 0.00 0.00 179.25 179.23 1wov h ASN 196 N 1.05 1.08 -0.69 0.00 2.35 -0.99 -1.51 115.58 116.88 1wov h ASN 196 Ca 0.26 -0.20 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 1wov h ASN 196 Cb 0.09 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 1wov h ASN 196 CO -0.03 1.00 0.28 0.22 -1.65 0.00 0.00 177.43 177.24 1wov h TYR 197 N 1.11 1.04 -0.61 1.19 3.20 -0.64 -2.02 116.97 120.25 1wov h TYR 197 Ca 0.24 -0.08 0.01 0.00 3.14 0.00 0.00 58.73 62.05 1wov h TYR 197 Cb 0.30 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 1wov h TYR 197 CO 0.02 0.81 0.40 0.00 -1.64 0.00 0.00 178.16 177.75 1wov h ALA 198 N 1.13 0.78 -0.34 1.82 0.00 -0.65 0.45 119.26 122.44 1wov h ALA 198 Ca 0.23 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1wov h ALA 198 Cb 0.21 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1wov h ALA 198 CO -0.02 0.18 0.10 0.74 0.00 0.00 0.00 179.25 180.26 1wov h PHE 199 N 0.80 0.18 -0.74 0.00 -1.00 -1.00 -0.15 116.94 115.04 1wov h PHE 199 Ca 0.23 0.02 0.10 0.00 2.81 0.00 0.00 57.97 61.13 1wov h PHE 199 Cb -0.07 -0.03 -0.08 0.00 3.61 0.00 0.00 35.95 39.38 1wov h PHE 199 CO -0.04 0.07 0.37 1.03 -1.61 0.00 0.00 178.31 178.14 1wov h SER 200 N 0.24 0.48 0.73 2.17 0.87 -0.73 -0.33 113.55 116.99 1wov h SER 200 Ca 0.16 0.07 -0.11 0.00 -1.23 0.00 0.00 61.79 60.67 1wov h SER 200 Cb 0.14 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 1wov h SER 200 CO -0.17 0.26 -0.54 -0.07 -0.53 0.00 0.00 176.83 175.78 1wov h LEU 201 N 0.62 0.00 -0.47 2.23 3.38 -0.50 -1.81 115.31 118.76 1wov h LEU 201 Ca 0.37 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.17 1wov h LEU 201 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1wov h LEU 201 CO -0.29 0.54 -0.75 0.78 0.09 0.00 0.00 178.44 178.81 1wov h ASN 202 N 0.00 0.19 0.30 -0.43 2.35 -0.49 -2.23 115.58 115.28 1wov h ASN 202 Ca -0.01 -0.13 -0.10 0.00 -0.55 0.00 0.00 56.30 55.51 1wov h ASN 202 Cb 1.05 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 1wov h ASN 202 CO 0.07 0.87 -0.41 0.03 -1.65 0.00 0.00 177.43 176.33 1wov h ARG 203 N 0.10 0.15 0.00 0.81 3.08 -0.27 -2.92 114.38 115.33 1wov h ARG 203 Ca -0.02 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 59.84 1wov h ARG 203 Cb 1.32 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.35 1wov h ARG 203 CO 0.11 0.54 -0.57 0.93 -1.07 0.00 0.00 179.97 179.92 1wov h GLU 204 N 0.13 0.00 -0.46 0.04 4.39 -1.02 -1.49 114.58 116.17 1wov h GLU 204 Ca 0.01 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 1wov h GLU 204 Cb 0.79 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.42 1wov h GLU 204 CO 0.06 0.57 -0.09 0.28 -1.16 0.00 0.00 179.01 178.67 1wov h VAL 205 N 0.00 1.26 -0.02 3.13 2.07 -1.30 -1.81 116.25 119.58 1wov h VAL 205 Ca -0.01 -1.15 -0.19 0.00 0.82 0.00 0.00 66.70 66.17 1wov h VAL 205 Cb 1.41 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1wov h VAL 205 CO 0.07 0.40 -0.83 0.24 0.02 0.00 0.00 177.57 177.47 1wov h MET 206 N 0.74 0.24 -0.07 1.57 2.86 -1.31 -2.95 114.93 116.01 1wov h MET 206 Ca 0.13 -0.24 -0.08 0.00 -2.06 0.00 0.00 59.70 57.45 1wov h MET 206 Cb 0.57 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1wov h MET 206 CO 0.04 0.94 -0.32 1.25 1.06 0.00 0.00 176.91 179.87 1wov h HIS 207 N 0.15 0.14 0.00 -0.22 6.17 -0.56 -0.32 115.15 120.51 1wov h HIS 207 Ca -0.04 -0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.01 1wov h HIS 207 Cb 1.43 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 31.33 1wov h HIS 207 CO 0.03 0.44 0.00 -0.44 0.71 0.00 0.00 177.93 178.67 1wov h ASP 208 N 0.11 0.00 -0.10 3.26 3.32 -1.17 -2.79 116.42 119.06 1wov h ASP 208 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1wov h ASP 208 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1wov h ASP 208 CO 0.05 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.75 1wov n LEU 209 N -2.88 2.78 0.15 1.55 4.77 -0.14 -4.63 117.00 118.60 1wov n LEU 209 Ca -0.02 -1.12 0.03 0.00 -0.03 0.00 0.00 56.01 54.87 1wov n LEU 209 Cb 0.11 -0.05 0.08 0.00 -2.33 0.00 0.00 43.42 41.23 1wov n LEU 209 CO 0.19 0.51 0.51 -0.33 -1.33 0.00 0.00 177.39 176.94 1wov h GLU 210 N 3.88 0.00 -0.15 3.23 5.08 -1.43 -2.58 114.58 122.60 1wov h GLU 210 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1wov h GLU 210 Cb 0.84 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1wov h GLU 210 CO 0.00 0.49 -0.23 -0.44 -1.00 0.00 0.00 179.01 177.83 1wov h ASP 211 N 0.00 0.26 -0.92 1.42 3.32 -1.82 -1.68 116.42 117.00 1wov h ASP 211 Ca -0.00 -0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.02 1wov h ASP 211 Cb 1.30 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 40.72 1wov h ASP 211 CO 0.06 0.50 0.59 -0.07 -1.72 0.00 0.00 179.24 178.61 1wov h LEU 212 N 0.25 0.97 0.56 1.55 3.38 -1.79 -0.73 115.31 119.50 1wov h LEU 212 Ca 0.04 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1wov h LEU 212 Cb 0.54 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.09 1wov h LEU 212 CO 0.04 0.65 -0.27 0.40 0.09 0.00 0.00 178.44 179.35 1wov h ILE 213 N 1.12 0.00 -1.10 1.22 2.04 -1.32 -2.29 117.51 117.19 1wov h ILE 213 Ca 0.38 -0.16 0.40 0.00 1.00 0.00 0.00 64.86 66.48 1wov h ILE 213 Cb 0.06 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 35.98 1wov h ILE 213 CO -0.14 0.00 0.64 0.50 0.00 0.00 0.00 178.15 179.15 1wov h LYS 214 N -0.91 0.09 0.00 2.37 3.64 -1.36 -1.03 116.57 119.38 1wov h LYS 214 Ca -0.08 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.20 1wov h LYS 214 Cb 0.57 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1wov h LYS 214 CO 0.13 0.06 -0.47 0.00 -2.27 0.00 0.00 179.45 176.90 1wov h ALA 215 N 1.85 0.84 0.00 5.00 0.00 -0.94 0.27 119.26 126.28 1wov h ALA 215 Ca 0.82 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 55.22 1wov h ALA 215 Cb 2.23 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.93 1wov h ALA 215 CO -0.63 0.59 -1.13 0.00 0.00 0.00 0.00 179.25 178.08 1wov h ALA 216 N 1.53 0.59 -0.00 0.00 0.00 -0.62 -3.34 119.26 117.40 1wov h ALA 216 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1wov h ALA 216 Cb 1.13 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1wov h ALA 216 CO 0.06 0.41 -0.46 0.44 0.00 0.00 0.00 179.25 179.70 1wov n ILE 217 N -2.80 0.00 0.00 0.00 -5.35 -0.83 -5.12 119.36 105.26 1wov n ILE 217 Ca -0.04 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 1wov n ILE 217 Cb 0.68 1.07 0.00 0.00 -1.74 0.00 0.00 39.64 39.65 1wov n ILE 217 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wov n GLY 218 N 1.18 -0.66 0.13 3.28 0.00 0.08 -4.40 105.19 104.80 1wov n GLY 218 Ca 0.04 -1.64 -0.05 0.00 0.00 0.00 0.00 46.02 44.37 1wov n GLY 218 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wov h GLU 219 N 0.00 0.10 -0.07 1.61 5.08 -1.95 -2.21 114.58 117.13 1wov h GLU 219 Ca 0.00 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1wov h GLU 219 Cb 0.00 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1wov h GLU 219 CO 0.00 0.79 -0.04 1.25 -1.00 0.00 0.00 179.01 180.02 1wov h HIS 220 N 0.06 0.18 -0.60 4.33 2.76 -1.95 0.13 115.15 120.06 1wov h HIS 220 Ca -0.02 -0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.08 1wov h HIS 220 Cb 1.31 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 30.20 1wov h HIS 220 CO 0.01 0.53 0.24 1.15 -1.30 0.00 0.00 177.93 178.56 1wov h THR 221 N -0.22 1.23 -0.21 6.26 2.02 -1.76 -1.90 112.91 118.33 1wov h THR 221 Ca 0.02 -0.71 0.02 0.00 0.77 0.00 0.00 66.41 66.50 1wov h THR 221 Cb 0.48 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 1wov h THR 221 CO 0.01 0.28 0.10 0.15 0.37 0.00 0.00 175.52 176.42 1wov h PHE 222 N 0.84 0.18 -0.42 3.16 3.57 -1.29 0.13 116.94 123.12 1wov h PHE 222 Ca 0.20 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.77 1wov h PHE 222 Cb 0.20 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 1wov h PHE 222 CO 0.01 0.10 0.10 -0.44 -2.23 0.00 0.00 178.31 175.85 1wov h ASP 223 N 0.21 0.06 -0.39 0.41 3.45 -0.35 -2.23 116.42 117.57 1wov h ASP 223 Ca 0.09 0.06 -0.07 0.00 0.43 0.00 0.00 57.03 57.54 1wov h ASP 223 Cb 0.03 0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 38.87 1wov h ASP 223 CO -0.07 0.07 -0.03 -0.07 -1.57 0.00 0.00 179.24 177.56 1wov h LEU 224 N 0.24 0.71 -1.35 1.55 3.38 -0.88 -2.55 115.31 116.42 1wov h LEU 224 Ca 0.20 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1wov h LEU 224 Cb 0.23 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1wov h LEU 224 CO -0.24 0.87 0.00 -0.07 0.09 0.00 0.00 178.44 179.08 1wov h LEU 225 N 0.54 0.00 -1.55 1.67 3.38 -0.53 -3.15 115.31 115.66 1wov h LEU 225 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1wov h LEU 225 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1wov h LEU 225 CO 0.03 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.91 1wov n THR 226 N -3.02 0.03 -0.06 0.22 -2.24 -0.86 -4.65 114.28 103.70 1wov n THR 226 Ca 0.01 -0.52 -0.14 0.00 -2.27 0.00 0.00 64.05 61.13 1wov n THR 226 Cb 0.31 1.25 -0.03 0.00 -2.10 0.00 0.00 70.33 69.76 1wov n THR 226 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1wov h ARG 227 N 2.59 0.81 -5.93 -0.78 2.43 -1.42 -3.44 114.38 108.64 1wov h ARG 227 Ca 0.00 -0.53 -0.66 0.00 -0.81 0.00 0.00 59.98 57.98 1wov h ARG 227 Cb 0.56 0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 30.07 1wov h ARG 227 CO 0.00 1.16 -0.57 -0.65 -1.51 0.00 0.00 179.97 178.40 1wov s GLN 228 N -4.06 3.12 0.37 0.20 -0.21 -1.26 -5.10 119.66 112.71 1wov s GLN 228 Ca -0.10 -0.40 -0.21 0.00 0.02 0.00 0.00 55.36 54.66 1wov s GLN 228 Cb 0.10 -2.90 -0.10 0.00 1.00 0.00 0.00 33.01 31.11 1wov s GLN 228 CO 0.88 0.68 0.90 -0.51 -2.12 0.00 0.00 175.29 175.13 1wov s ASP 229 N -1.42 7.04 0.14 5.90 1.01 -1.26 -5.10 116.67 122.98 1wov s ASP 229 Ca 0.19 1.65 -0.00 0.00 0.71 0.00 0.00 52.55 55.10 1wov s ASP 229 Cb -0.12 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 1wov s ASP 229 CO 0.10 -0.23 0.31 -0.13 0.21 0.00 0.00 175.17 175.43 1wov s ARG 230 N -2.74 3.49 0.57 8.23 0.52 -1.26 -4.94 118.95 122.82 1wov s ARG 230 Ca 0.56 -0.40 -0.21 0.00 -0.52 0.00 0.00 55.73 55.17 1wov s ARG 230 Cb -0.12 -2.93 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 1wov s ARG 230 CO 0.17 0.50 1.31 -2.30 0.02 0.00 0.00 175.30 175.01 1wov n PRO 231 N -0.24 1.49 -2.40 3.54 -0.02 -1.26 -4.94 135.00 131.17 1wov n PRO 231 Ca -0.05 0.56 -0.39 0.00 -2.02 0.00 0.00 63.50 61.60 1wov n PRO 231 Cb 0.53 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 1wov n PRO 231 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1wov s GLY 232 N -1.05 2.91 0.19 -1.23 0.00 -1.26 -4.65 107.32 102.24 1wov s GLY 232 Ca 0.75 0.90 0.26 0.00 0.00 0.00 0.00 44.72 46.63 1wov s GLY 232 CO 0.47 1.44 1.73 1.44 0.00 0.00 0.00 173.10 178.17 1wov n SER 233 N 0.47 0.77 -0.79 1.64 7.64 -1.26 -2.68 113.62 119.41 1wov n SER 233 Ca 0.02 0.51 0.08 0.00 1.01 0.00 0.00 58.87 60.50 1wov n SER 233 Cb 0.46 -0.67 0.15 0.00 -1.01 0.00 0.00 64.21 63.15 1wov n SER 233 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1wov n THR 234 N -2.22 0.59 0.00 0.44 -2.24 -1.26 -4.97 114.28 104.63 1wov n THR 234 Ca 0.05 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 1wov n THR 234 Cb 0.43 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 1wov n THR 234 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1wov n GLU 235 N 0.91 0.00 -0.65 -0.78 -0.00 -1.09 -5.00 120.64 114.03 1wov n GLU 235 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.29 1wov n GLU 235 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.90 1wov n GLU 235 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 1wov n PRO 243 N 0.00 0.00 -3.80 3.44 -0.04 -1.26 -4.53 135.00 128.81 1wov n PRO 243 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 1wov n PRO 243 Cb 0.00 -0.33 -0.12 0.00 -0.04 0.00 0.00 33.50 33.01 1wov n PRO 243 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1wov s ILE 244 N -2.48 3.44 -0.04 0.52 1.01 -1.26 -4.89 121.20 117.50 1wov s ILE 244 Ca 0.00 -1.43 -0.13 0.00 0.00 0.00 0.00 60.65 59.08 1wov s ILE 244 Cb 0.00 -3.06 -0.05 0.00 0.01 0.00 0.00 42.46 39.36 1wov s ILE 244 CO 0.00 -0.29 0.35 -0.89 0.00 0.00 0.00 174.94 174.12 1wov s THR 245 N 1.30 5.14 -0.16 2.92 2.01 -1.26 -5.01 115.64 120.58 1wov s THR 245 Ca -0.01 0.71 -0.15 0.00 0.31 0.00 0.00 61.69 62.55 1wov s THR 245 Cb -0.21 -3.65 -0.23 0.00 0.01 0.00 0.00 72.50 68.42 1wov s THR 245 CO -0.00 0.56 0.31 0.25 -0.69 0.00 0.00 174.62 175.05 1wov h LEU 246 N 5.00 0.20 -7.35 4.42 5.85 -1.98 -3.38 115.31 118.06 1wov h LEU 246 Ca -0.51 -0.71 0.00 0.00 0.84 0.00 0.00 57.88 57.50 1wov h LEU 246 Cb 1.22 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 42.08 1wov h LEU 246 CO 0.63 1.65 0.19 0.00 -0.34 0.00 0.00 178.44 180.56 1wov s MET 247 N -2.45 1.43 -0.22 1.25 0.23 -1.26 -4.44 119.30 113.84 1wov s MET 247 Ca -0.25 -0.66 -0.08 0.00 -1.03 0.00 0.00 55.69 53.66 1wov s MET 247 Cb 0.06 0.59 -0.04 0.00 -1.53 0.00 0.00 34.83 33.91 1wov s MET 247 CO 0.68 -0.63 0.09 0.54 -2.03 0.00 0.00 175.02 173.67 1wov s VAL 248 N -3.81 4.78 0.84 5.16 0.11 -1.26 -5.00 120.40 121.22 1wov s VAL 248 Ca 0.05 -0.03 -0.12 0.00 -2.93 0.00 0.00 61.98 58.95 1wov s VAL 248 Cb -0.02 -3.20 0.10 0.00 -1.53 0.00 0.00 36.38 31.72 1wov s VAL 248 CO -0.06 0.39 1.12 -0.83 -3.33 0.00 0.00 175.10 172.38 1wov s GLY 249 N 0.98 1.60 0.00 6.54 0.00 -1.26 -5.18 107.32 110.01 1wov s GLY 249 Ca 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.41 1wov s GLY 249 CO 0.03 0.13 0.00 1.18 0.00 0.00 0.00 173.10 174.44