#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 3.22 -0.28 3.42 3.02 -1.26 -4.69 115.26 118.69 1wov n ASN 3 Ca 0.00 -3.58 -0.02 0.00 -0.03 0.00 0.00 54.58 50.95 1wov n ASN 3 Cb 0.00 -0.68 0.10 0.00 -0.61 0.00 0.00 39.78 38.59 1wov n ASN 3 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1wov h LEU 4 N 1.29 0.78 -0.67 3.41 5.85 -1.89 -0.95 115.31 123.13 1wov h LEU 4 Ca 0.29 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 1wov h LEU 4 Cb 1.99 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.83 1wov h LEU 4 CO 0.57 0.53 0.25 0.00 -0.34 0.00 0.00 178.44 179.46 1wov h ALA 5 N 1.34 0.88 -0.07 1.25 0.00 -1.85 -1.18 119.26 119.63 1wov h ALA 5 Ca 0.32 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.83 1wov h ALA 5 Cb 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1wov h ALA 5 CO -0.13 0.51 -0.81 1.96 0.00 0.00 0.00 179.25 180.79 1wov h GLN 6 N 0.96 0.49 -0.94 0.00 7.50 -1.87 -2.51 115.11 118.74 1wov h GLN 6 Ca 0.22 -0.44 0.05 0.00 0.50 0.00 0.00 58.65 58.99 1wov h GLN 6 Cb 0.23 0.10 -0.06 0.00 0.05 0.00 0.00 27.48 27.80 1wov h GLN 6 CO -0.02 1.07 0.61 0.87 -1.50 0.00 0.00 178.83 179.87 1wov h LYS 7 N 0.32 1.10 -0.06 1.46 1.79 -0.92 -1.28 116.57 118.98 1wov h LYS 7 Ca -0.05 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.34 1wov h LYS 7 Cb 1.41 -0.25 -0.00 0.00 -1.58 0.00 0.00 32.23 31.81 1wov h LYS 7 CO 0.14 0.73 -0.02 -0.07 -1.08 0.00 0.00 179.45 179.15 1wov h LEU 8 N 1.13 0.12 -0.42 2.94 3.38 -1.18 0.57 115.31 121.85 1wov h LEU 8 Ca 0.39 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1wov h LEU 8 Cb 0.10 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1wov h LEU 8 CO -0.13 0.50 0.17 -0.09 0.09 0.00 0.00 178.44 178.97 1wov h ARG 9 N -0.25 0.64 0.00 1.13 2.43 -1.16 -2.06 114.38 115.10 1wov h ARG 9 Ca 0.01 -0.12 -0.21 0.00 -0.81 0.00 0.00 59.98 58.86 1wov h ARG 9 Cb 0.45 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 1wov h ARG 9 CO 0.01 0.59 -1.12 1.88 -1.51 0.00 0.00 179.97 179.81 1wov h TYR 10 N 0.54 0.00 0.00 2.20 0.05 -1.32 -2.98 116.97 115.46 1wov h TYR 10 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.92 1wov h TYR 10 Cb 0.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.93 1wov h TYR 10 CO 0.00 0.87 0.00 0.78 -1.05 0.00 0.00 178.16 178.76 1wov h GLY 11 N 3.29 0.00 -0.99 3.88 0.00 -0.78 -2.97 103.07 105.49 1wov h GLY 11 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1wov h GLY 11 CO 0.10 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.34 1wov n THR 12 N -2.61 0.49 -0.20 4.70 -2.24 -0.78 -4.76 114.28 108.87 1wov n THR 12 Ca 0.04 -0.74 -0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1wov n THR 12 Cb 0.42 0.87 0.10 0.00 -2.10 0.00 0.00 70.33 69.62 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 1.93 0.35 -0.35 -0.78 4.15 -1.35 0.10 115.11 119.16 1wov h GLN 13 Ca 0.00 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.28 1wov h GLN 13 Cb 0.56 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 1wov h GLN 13 CO 0.00 0.23 -0.26 0.37 -1.93 0.00 0.00 178.83 177.24 1wov h GLN 14 N 0.36 0.71 -0.72 1.69 4.15 -1.86 -1.57 115.11 117.88 1wov h GLN 14 Ca 0.30 -0.30 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 1wov h GLN 14 Cb 0.39 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 1wov h GLN 14 CO -0.32 0.90 0.28 0.77 -1.93 0.00 0.00 178.83 178.53 1wov h SER 15 N 0.62 0.99 -0.12 -0.69 0.02 -1.65 -0.72 113.55 112.00 1wov h SER 15 Ca 0.08 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1wov h SER 15 Cb 0.76 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1wov h SER 15 CO 0.06 0.88 0.06 -0.74 -1.14 0.00 0.00 176.83 175.96 1wov h HIS 16 N 1.05 0.16 -0.31 3.45 -0.00 -0.35 -1.49 115.15 117.66 1wov h HIS 16 Ca 0.24 -0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.64 1wov h HIS 16 Cb 0.20 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 27.53 1wov h HIS 16 CO 0.02 0.17 0.12 1.15 -0.00 0.00 0.00 177.93 179.39 1wov h THR 17 N 0.10 0.94 -0.97 6.26 2.02 -1.03 -1.76 112.91 118.47 1wov h THR 17 Ca 0.04 -0.09 0.14 0.00 0.77 0.00 0.00 66.41 67.27 1wov h THR 17 Cb 0.07 0.65 -0.08 0.00 -1.74 0.00 0.00 68.15 67.04 1wov h THR 17 CO -0.01 0.05 0.61 -0.07 0.37 0.00 0.00 175.52 176.47 1wov h LEU 18 N 0.27 0.81 -0.43 2.58 3.38 -0.91 -1.87 115.31 119.14 1wov h LEU 18 Ca 0.14 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 1wov h LEU 18 Cb 0.09 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1wov h LEU 18 CO -0.13 0.40 -0.03 0.00 0.09 0.00 0.00 178.44 178.77 1wov h ALA 19 N 1.58 0.59 -0.28 1.53 0.00 -0.76 -1.96 119.26 119.96 1wov h ALA 19 Ca 0.50 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1wov h ALA 19 Cb 0.64 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1wov h ALA 19 CO -0.26 0.41 0.19 0.93 0.00 0.00 0.00 179.25 180.52 1wov h GLU 20 N 0.62 0.17 -0.62 0.00 5.08 -1.05 -3.02 114.58 115.77 1wov h GLU 20 Ca 0.12 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1wov h GLU 20 Cb 0.54 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1wov h GLU 20 CO 0.03 0.12 0.00 0.09 -1.00 0.00 0.00 179.01 178.24 1wov n ASN 21 N -4.49 3.38 -4.66 1.42 3.02 -0.73 -3.71 115.26 109.50 1wov n ASN 21 Ca 0.03 -2.03 -0.33 0.00 -0.03 0.00 0.00 54.58 52.22 1wov n ASN 21 Cb 0.23 -0.42 0.14 0.00 -0.61 0.00 0.00 39.78 39.11 1wov n ASN 21 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1wov n THR 22 N 1.28 1.32 -0.22 3.41 -2.24 -0.84 -4.81 114.28 112.17 1wov n THR 22 Ca 0.21 -0.15 -0.04 0.00 -2.27 0.00 0.00 64.05 61.80 1wov n THR 22 Cb 0.54 -1.10 0.06 0.00 -2.10 0.00 0.00 70.33 67.74 1wov n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wov h ALA 23 N -1.22 0.83 -0.47 6.98 0.00 -1.92 -0.30 119.26 123.15 1wov h ALA 23 Ca -0.45 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.48 1wov h ALA 23 Cb 1.29 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1wov h ALA 23 CO 0.44 0.14 0.25 -0.92 0.00 0.00 0.00 179.25 179.16 1wov h TYR 24 N 0.77 0.47 0.03 0.00 3.20 -1.92 -2.00 116.97 117.52 1wov h TYR 24 Ca 0.26 0.02 -0.21 0.00 3.14 0.00 0.00 58.73 61.93 1wov h TYR 24 Cb 0.03 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1wov h TYR 24 CO -0.05 0.24 -0.98 0.52 -1.64 0.00 0.00 178.16 176.26 1wov h MET 25 N 0.50 0.15 -0.28 1.82 2.86 -1.78 -0.80 114.93 117.40 1wov h MET 25 Ca 0.20 -0.20 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1wov h MET 25 Cb 0.08 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 1wov h MET 25 CO -0.13 1.01 0.11 0.87 1.06 0.00 0.00 176.91 179.83 1wov h LYS 26 N 0.07 0.24 -0.39 1.72 1.57 -0.90 -0.74 116.57 118.13 1wov h LYS 26 Ca -0.05 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1wov h LYS 26 Cb 1.66 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.90 1wov h LYS 26 CO 0.15 0.16 0.00 0.00 -0.57 0.00 0.00 179.45 179.18 1wov h PHE 28 N 0.51 -0.66 0.00 0.00 3.04 -1.03 -0.20 116.94 118.61 1wov h PHE 28 Ca 0.11 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.08 1wov h PHE 28 Cb 0.47 0.28 0.00 0.00 2.56 0.00 0.00 35.95 39.26 1wov h PHE 28 CO 0.04 -0.34 0.00 -0.07 -2.02 0.00 0.00 178.31 175.92 1wov h LEU 29 N -0.42 0.00 -0.87 0.59 -0.00 -1.10 -1.01 115.31 112.51 1wov h LEU 29 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1wov h LEU 29 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.13 1wov h LEU 29 CO -0.18 0.00 -0.08 0.29 -0.00 0.00 0.00 178.44 178.47 1wov n LYS 30 N -3.06 1.45 0.00 1.13 5.02 -0.97 -4.91 118.16 116.81 1wov n LYS 30 Ca -0.01 -0.87 0.00 0.00 -2.02 0.00 0.00 58.31 55.41 1wov n LYS 30 Cb 0.21 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 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 1.23 0.80 3.40 0.72 0.00 -0.38 -5.07 105.19 105.90 1wov n GLY 31 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 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 4.71 -0.09 -0.61 -1.09 -0.12 -4.79 121.20 117.21 1wov s ILE 32 Ca 0.00 -0.99 0.03 0.00 -2.23 0.00 0.00 60.65 57.46 1wov s ILE 32 Cb 0.00 -4.59 0.00 0.00 -1.58 0.00 0.00 42.46 36.30 1wov s ILE 32 CO 0.00 -1.27 -0.20 -0.69 -1.23 0.00 0.00 174.94 171.55 1wov s VAL 33 N 2.93 1.75 -0.07 2.92 1.01 -1.26 -3.45 120.40 124.22 1wov s VAL 33 Ca 0.18 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.35 1wov s VAL 33 Cb -0.18 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.67 1wov s VAL 33 CO 0.04 0.49 -0.17 -1.61 0.00 0.00 0.00 175.10 173.85 1wov s GLU 34 N 0.43 2.20 0.24 2.72 0.41 -1.26 -4.67 118.70 118.78 1wov s GLU 34 Ca -0.17 -0.62 -0.05 0.00 -0.41 0.00 0.00 54.97 53.72 1wov s GLU 34 Cb -0.17 -1.76 0.33 0.00 -1.78 0.00 0.00 34.13 30.75 1wov s GLU 34 CO 0.07 0.12 1.86 -0.09 -0.49 0.00 0.00 175.26 176.74 1wov h ARG 35 N 6.75 1.01 0.72 1.61 2.43 -2.00 -1.30 114.38 123.61 1wov h ARG 35 Ca -0.27 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 58.80 1wov h ARG 35 Cb 1.20 -0.23 0.01 0.00 -0.42 0.00 0.00 29.97 30.53 1wov h ARG 35 CO 0.47 0.67 -0.35 1.49 -1.51 0.00 0.00 179.97 180.74 1wov h GLU 36 N 1.04 -0.93 0.00 0.20 4.57 -1.98 0.28 114.58 117.75 1wov h GLU 36 Ca 0.38 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.62 1wov h GLU 36 Cb 0.12 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1wov h GLU 36 CO -0.16 -0.60 0.00 -1.00 -1.18 0.00 0.00 179.01 176.07 1wov h PRO 37 N -1.15 0.00 -0.09 0.92 0.13 -1.89 -1.82 132.00 128.11 1wov h PRO 37 Ca -0.10 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.91 1wov h PRO 37 Cb 0.77 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.90 1wov h PRO 37 CO 0.16 0.00 -0.43 0.35 -0.23 0.00 0.00 178.00 177.85 1wov h PHE 38 N 0.00 0.61 0.00 1.56 3.57 -1.03 -1.52 116.94 120.12 1wov h PHE 38 Ca 0.00 -0.27 -0.04 0.00 3.53 0.00 0.00 57.97 61.19 1wov h PHE 38 Cb 0.47 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1wov h PHE 38 CO 0.00 1.03 -0.20 0.07 -2.23 0.00 0.00 178.31 176.97 1wov h ARG 39 N 0.02 0.00 -0.36 1.11 0.11 -0.59 -1.37 114.38 113.30 1wov h ARG 39 Ca -0.03 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.94 1wov h ARG 39 Cb 1.08 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.14 1wov h ARG 39 CO 0.09 0.20 -0.25 1.96 0.10 0.00 0.00 179.97 182.08 1wov h GLN 40 N 0.00 0.72 0.37 0.08 4.20 -1.27 -1.01 115.11 118.20 1wov h GLN 40 Ca -0.00 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.41 1wov h GLN 40 Cb 1.10 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.83 1wov h GLN 40 CO 0.03 0.90 -0.44 1.25 -0.67 0.00 0.00 178.83 179.90 1wov h LEU 41 N 0.63 -1.22 -0.90 1.46 5.85 -0.54 -0.64 115.31 119.93 1wov h LEU 41 Ca 0.08 0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.97 1wov h LEU 41 Cb 0.75 0.42 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 1wov h LEU 41 CO 0.06 -0.58 0.57 -0.07 -0.34 0.00 0.00 178.44 178.09 1wov h LEU 42 N -0.85 0.92 -0.53 2.25 3.38 -1.13 0.85 115.31 120.21 1wov h LEU 42 Ca -0.03 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1wov h LEU 42 Cb 0.77 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 1wov h LEU 42 CO -0.10 0.60 0.30 0.00 0.09 0.00 0.00 178.44 179.32 1wov h ALA 43 N 1.41 0.68 -0.77 1.53 0.00 -1.11 -1.22 119.26 119.79 1wov h ALA 43 Ca 0.39 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.42 1wov h ALA 43 Cb 0.13 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 1wov h ALA 43 CO -0.16 -0.02 0.36 -0.91 0.00 0.00 0.00 179.25 178.53 1wov h ASN 44 N 0.58 0.43 0.39 0.00 2.35 -0.38 -2.61 115.58 116.34 1wov h ASN 44 Ca 0.22 0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.98 1wov h ASN 44 Cb 0.07 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1wov h ASN 44 CO -0.12 0.21 -0.36 -0.07 -1.65 0.00 0.00 177.43 175.43 1wov h LEU 45 N 0.57 0.00 -0.51 1.61 3.38 -0.39 -1.70 115.31 118.26 1wov h LEU 45 Ca 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 1wov h LEU 45 Cb 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1wov h LEU 45 CO -0.34 0.36 0.26 0.22 0.09 0.00 0.00 178.44 179.04 1wov h TYR 46 N 0.00 0.72 -0.48 1.13 3.20 -0.85 0.16 116.97 120.84 1wov h TYR 46 Ca -0.00 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.80 1wov h TYR 46 Cb 0.65 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1wov h TYR 46 CO 0.00 0.55 0.16 1.88 -1.64 0.00 0.00 178.16 179.11 1wov h TYR 47 N 0.68 0.77 0.17 -3.82 -1.99 -1.24 0.12 116.97 111.66 1wov h TYR 47 Ca 0.18 -0.07 -0.01 0.00 2.00 0.00 0.00 58.73 60.82 1wov h TYR 47 Cb 0.08 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 38.59 1wov h TYR 47 CO -0.01 0.67 -0.08 1.25 -0.00 0.00 0.00 178.16 179.99 1wov h LEU 48 N 0.64 -0.20 -0.54 3.88 6.46 -0.83 -2.76 115.31 121.97 1wov h LEU 48 Ca 0.16 -0.11 -0.16 0.00 -0.12 0.00 0.00 57.88 57.64 1wov h LEU 48 Cb 0.26 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 1wov h LEU 48 CO -0.01 -0.01 -0.67 1.88 -0.62 0.00 0.00 178.44 179.02 1wov h TYR 49 N -0.38 0.38 -0.88 1.25 0.05 -0.63 0.73 116.97 117.49 1wov h TYR 49 Ca -0.02 -0.16 0.07 0.00 0.05 0.00 0.00 58.73 58.67 1wov h TYR 49 Cb 0.30 -0.06 -0.06 0.00 1.01 0.00 0.00 36.73 37.92 1wov h TYR 49 CO -0.02 0.87 0.57 0.77 -1.05 0.00 0.00 178.16 179.30 1wov h SER 50 N 0.20 0.86 0.02 3.88 0.02 -0.80 -0.21 113.55 117.52 1wov h SER 50 Ca -0.02 0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.81 1wov h SER 50 Cb 1.21 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 63.58 1wov h SER 50 CO 0.11 0.55 -0.52 0.00 -1.14 0.00 0.00 176.83 175.82 1wov h ALA 51 N 1.53 0.04 0.36 3.77 0.00 -1.14 -1.87 119.26 121.94 1wov h ALA 51 Ca 0.38 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1wov h ALA 51 Cb 0.23 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1wov h ALA 51 CO -0.14 0.27 -0.28 1.25 0.00 0.00 0.00 179.25 180.36 1wov h LEU 52 N -0.28 -0.72 -0.86 0.00 5.85 -0.74 -2.27 115.31 116.30 1wov h LEU 52 Ca -0.07 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1wov h LEU 52 Cb 1.27 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 42.49 1wov h LEU 52 CO 0.10 -0.42 0.42 -0.33 -0.34 0.00 0.00 178.44 177.87 1wov h GLU 53 N -0.63 1.23 -0.29 1.25 5.08 -1.08 -1.24 114.58 118.89 1wov h GLU 53 Ca -0.03 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1wov h GLU 53 Cb 0.55 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1wov h GLU 53 CO -0.01 0.94 0.15 0.00 -1.00 0.00 0.00 179.01 179.09 1wov h ALA 54 N 1.23 1.71 0.05 3.43 0.00 -1.35 -1.84 119.26 122.48 1wov h ALA 54 Ca 0.29 -0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.87 1wov h ALA 54 Cb 0.11 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.80 1wov h ALA 54 CO -0.04 0.24 -1.11 0.00 0.00 0.00 0.00 179.25 178.34 1wov h ALA 55 N 1.76 0.12 -0.32 0.00 0.00 -0.92 -0.97 119.26 118.92 1wov h ALA 55 Ca 0.11 -0.74 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 1wov h ALA 55 Cb 0.04 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1wov h ALA 55 CO -0.02 0.73 0.20 -0.07 0.00 0.00 0.00 179.25 180.09 1wov h LEU 56 N 0.30 0.39 -0.32 0.00 3.38 -1.18 -1.88 115.31 116.00 1wov h LEU 56 Ca -0.14 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1wov h LEU 56 Cb 1.77 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.41 1wov h LEU 56 CO 0.21 0.32 0.21 0.03 0.09 0.00 0.00 178.44 179.30 1wov h ARG 57 N 0.42 0.42 -0.70 1.13 3.08 -1.18 -2.85 114.38 114.70 1wov h ARG 57 Ca 0.12 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.20 1wov h ARG 57 Cb 0.00 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.91 1wov h ARG 57 CO -0.02 0.28 0.46 0.37 -1.07 0.00 0.00 179.97 179.99 1wov h GLN 58 N 0.43 0.71 -0.53 0.04 5.75 -1.05 -3.09 115.11 117.36 1wov h GLN 58 Ca 0.12 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.49 1wov h GLN 58 Cb -0.04 -0.16 -0.05 0.00 1.07 0.00 0.00 27.48 28.30 1wov h GLN 58 CO -0.02 0.47 0.08 0.72 -2.65 0.00 0.00 178.83 177.42 1wov n HIS 59 N -4.48 1.84 0.63 3.99 8.25 -0.72 -4.47 115.22 120.27 1wov n HIS 59 Ca 0.10 -0.97 0.08 0.00 -0.26 0.00 0.00 57.72 56.67 1wov n HIS 59 Cb 0.23 -0.52 0.37 0.00 1.12 0.00 0.00 29.99 31.20 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 -0.04 0.04 0.00 -0.41 1.74 -1.15 -1.37 116.66 115.48 1wov n ARG 60 Ca 0.31 0.19 0.06 0.00 -0.77 0.00 0.00 57.85 57.64 1wov n ARG 60 Cb 1.17 -1.50 0.30 0.00 -1.02 0.00 0.00 32.46 31.42 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 -1.46 0.00 -4.62 0.55 5.75 -1.26 -4.35 116.55 111.16 1wov n ASP 61 Ca 0.05 0.19 -0.39 0.00 -0.01 0.00 0.00 54.79 54.63 1wov n ASP 61 Cb 0.19 -0.33 -0.09 0.00 -1.03 0.00 0.00 41.12 39.86 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 -2.66 6.29 0.46 -1.12 3.84 -0.47 -4.96 114.94 116.31 1wov s ASN 62 Ca 0.11 0.34 0.20 0.00 0.21 0.00 0.00 52.86 53.71 1wov s ASN 62 Cb 0.08 -2.22 1.10 0.00 -0.55 0.00 0.00 41.25 39.66 1wov s ASN 62 CO 0.20 -0.18 1.96 1.05 -2.79 0.00 0.00 177.10 177.34 1wov h GLU 63 N 8.04 0.00 -0.16 0.43 4.11 -1.86 -1.00 114.58 124.14 1wov h GLU 63 Ca -0.32 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.08 1wov h GLU 63 Cb 1.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1wov h GLU 63 CO 0.66 0.22 -0.04 0.82 0.07 0.00 0.00 179.01 180.74 1wov h ILE 64 N 0.00 1.29 -0.61 -1.06 1.08 -1.93 -2.57 117.51 113.71 1wov h ILE 64 Ca -0.00 -1.00 -0.07 0.00 -0.39 0.00 0.00 64.86 63.40 1wov h ILE 64 Cb 0.45 1.63 -0.02 0.00 -3.07 0.00 0.00 36.82 35.81 1wov h ILE 64 CO 0.03 0.29 0.10 0.40 -0.69 0.00 0.00 178.15 178.29 1wov h ILE 65 N 0.01 1.26 -0.58 -0.67 1.08 -1.72 -2.94 117.51 113.95 1wov h ILE 65 Ca 0.04 -0.99 0.02 0.00 -0.39 0.00 0.00 64.86 63.54 1wov h ILE 65 Cb 0.47 0.72 -0.03 0.00 -3.07 0.00 0.00 36.82 34.91 1wov h ILE 65 CO 0.02 0.37 0.38 -1.28 -0.69 0.00 0.00 178.15 176.95 1wov h SER 66 N 0.91 0.62 -0.12 1.72 0.87 -1.24 -1.57 113.55 114.75 1wov h SER 66 Ca 0.19 -0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.57 1wov h SER 66 Cb 0.42 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1wov h SER 66 CO 0.01 0.44 -0.53 0.00 -0.53 0.00 0.00 176.83 176.22 1wov h ALA 67 N 1.65 0.62 0.00 6.23 0.00 -1.35 -3.28 119.26 123.14 1wov h ALA 67 Ca 0.22 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1wov h ALA 67 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1wov h ALA 67 CO -0.06 0.68 -0.69 1.51 0.00 0.00 0.00 179.25 180.70 1wov n ILE 68 N -3.99 0.08 -2.62 0.00 0.13 -0.98 -4.80 119.36 107.18 1wov n ILE 68 Ca -0.03 -0.09 -0.42 0.00 -1.10 0.00 0.00 62.75 61.11 1wov n ILE 68 Cb 0.60 0.28 -0.03 0.00 -0.84 0.00 0.00 39.64 39.66 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 -3.06 2.65 -0.47 9.51 5.04 -0.63 -4.98 117.35 125.41 1wov s TYR 69 Ca 0.08 0.37 -0.10 0.00 -2.44 0.00 0.00 57.07 54.99 1wov s TYR 69 Cb 0.16 -4.44 0.11 0.00 0.35 0.00 0.00 41.96 38.14 1wov s TYR 69 CO 0.74 -1.53 0.34 -0.06 -1.34 0.00 0.00 175.55 173.71 1wov s PHE 70 N 4.77 3.40 -1.11 4.97 0.08 -1.26 -4.99 117.98 123.84 1wov s PHE 70 Ca 0.41 -1.78 0.15 0.00 0.12 0.00 0.00 56.93 55.83 1wov s PHE 70 Cb -0.08 -3.43 0.67 0.00 -0.57 0.00 0.00 43.02 39.61 1wov s PHE 70 CO 0.25 -0.97 1.46 -0.35 -0.10 0.00 0.00 175.22 175.51 1wov n PRO 71 N 4.93 0.05 0.14 0.24 -0.04 -1.26 -1.43 135.00 137.63 1wov n PRO 71 Ca -0.09 0.22 0.12 0.00 -0.04 0.00 0.00 63.50 63.71 1wov n PRO 71 Cb 0.41 -1.50 0.51 0.00 -0.04 0.00 0.00 33.50 32.88 1wov n PRO 71 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wov n GLU 72 N -1.45 0.19 0.03 0.54 0.28 -1.26 -1.86 120.64 117.11 1wov n GLU 72 Ca 0.04 0.46 0.12 0.00 -0.16 0.00 0.00 57.16 57.62 1wov n GLU 72 Cb 0.16 -1.89 0.13 0.00 1.43 0.00 0.00 31.44 31.27 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 -2.26 0.62 -4.60 -1.84 4.77 -0.52 -4.74 117.00 108.44 1wov n LEU 73 Ca 0.02 0.04 -0.46 0.00 -0.03 0.00 0.00 56.01 55.57 1wov n LEU 73 Cb 0.20 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1wov n LEU 73 CO 0.18 0.05 0.72 0.59 -1.33 0.00 0.00 177.39 177.60 1wov n ASN 74 N -1.84 1.59 -0.00 -1.43 5.03 -0.78 -4.89 115.26 112.94 1wov n ASN 74 Ca 0.04 1.16 0.06 0.00 0.87 0.00 0.00 54.58 56.70 1wov n ASN 74 Cb 0.40 -1.28 -0.08 0.00 -1.02 0.00 0.00 39.78 37.80 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 1.40 2.08 -0.01 3.52 5.12 -1.26 -4.73 116.66 122.78 1wov n ARG 75 Ca 0.12 -0.04 -0.10 0.00 -1.93 0.00 0.00 57.85 55.90 1wov n ARG 75 Cb 0.29 -1.15 -0.04 0.00 -1.16 0.00 0.00 32.46 30.40 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 0.86 -0.31 0.55 2.02 -1.90 0.20 112.91 114.33 1wov h THR 76 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1wov h THR 76 Cb 0.38 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1wov h THR 76 CO 0.00 0.00 0.11 0.44 0.37 0.00 0.00 175.52 176.44 1wov h ASP 77 N -0.01 0.44 -0.75 4.18 3.45 -2.00 -1.84 116.42 119.89 1wov h ASP 77 Ca 0.06 -0.18 0.02 0.00 0.43 0.00 0.00 57.03 57.36 1wov h ASP 77 Cb 0.10 -0.11 -0.04 0.00 -0.56 0.00 0.00 39.33 38.71 1wov h ASP 77 CO -0.13 0.50 0.48 0.11 -1.57 0.00 0.00 179.24 178.63 1wov h LYS 78 N 0.35 0.92 -0.27 3.56 1.79 -1.81 -2.23 116.57 118.88 1wov h LYS 78 Ca 0.10 -0.06 -0.11 0.00 -2.18 0.00 0.00 60.65 58.41 1wov h LYS 78 Cb 0.21 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1wov h LYS 78 CO -0.01 0.61 -0.29 -0.07 -1.08 0.00 0.00 179.45 178.61 1wov h LEU 79 N 0.94 0.55 -0.93 2.94 3.38 -0.78 -1.87 115.31 119.55 1wov h LEU 79 Ca 0.29 -0.20 0.07 0.00 0.09 0.00 0.00 57.88 58.13 1wov h LEU 79 Cb -0.02 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.51 1wov h LEU 79 CO -0.10 0.82 0.59 0.00 0.09 0.00 0.00 178.44 179.84 1wov h ALA 80 N 1.22 1.30 0.08 1.53 0.00 -1.13 0.26 119.26 122.52 1wov h ALA 80 Ca 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1wov h ALA 80 Cb 0.74 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1wov h ALA 80 CO 0.06 0.33 -0.04 0.93 0.00 0.00 0.00 179.25 180.53 1wov h GLU 81 N 1.05 -0.10 -0.89 0.00 5.08 -0.74 -1.19 114.58 117.79 1wov h GLU 81 Ca 0.41 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.83 1wov h GLU 81 Cb 0.21 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 1wov h GLU 81 CO -0.19 0.10 0.56 -0.44 -1.00 0.00 0.00 179.01 178.04 1wov h ASP 82 N -0.29 0.90 0.59 1.42 3.45 -1.07 -2.10 116.42 119.33 1wov h ASP 82 Ca -0.01 0.01 -0.13 0.00 0.43 0.00 0.00 57.03 57.33 1wov h ASP 82 Cb 0.25 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 38.82 1wov h ASP 82 CO 0.02 0.59 -0.62 -0.07 -1.57 0.00 0.00 179.24 177.59 1wov h LEU 83 N 1.04 0.03 -0.66 1.55 3.38 -0.45 -0.86 115.31 119.34 1wov h LEU 83 Ca 0.38 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.36 1wov h LEU 83 Cb 0.12 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1wov h LEU 83 CO -0.16 0.64 0.41 0.74 0.09 0.00 0.00 178.44 180.16 1wov h THR 84 N 0.02 1.08 -0.25 0.22 2.02 -1.04 -0.17 112.91 114.79 1wov h THR 84 Ca -0.01 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.90 1wov h THR 84 Cb 1.10 0.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1wov h THR 84 CO 0.08 0.15 0.16 0.22 0.37 0.00 0.00 175.52 176.50 1wov h TYR 85 N 0.80 0.31 0.00 3.16 5.03 -0.66 -0.66 116.97 124.95 1wov h TYR 85 Ca 0.27 0.01 -0.22 0.00 2.58 0.00 0.00 58.73 61.37 1wov h TYR 85 Cb 0.02 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.17 1wov h TYR 85 CO -0.05 0.19 -1.22 1.88 -1.32 0.00 0.00 178.16 177.64 1wov h TYR 86 N 0.34 0.00 0.00 -3.82 0.05 -1.07 -3.38 116.97 109.09 1wov h TYR 86 Ca 0.09 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.87 1wov h TYR 86 Cb -0.03 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.71 1wov h TYR 86 CO -0.06 0.87 -0.05 0.66 -1.05 0.00 0.00 178.16 178.53 1wov n TYR 87 N -3.17 0.00 -0.96 4.88 4.01 -0.09 -5.09 117.16 116.74 1wov n TYR 87 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1wov n TYR 87 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.96 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 1.04 -2.64 0.25 2.72 0.00 -0.26 -4.41 105.19 101.88 1wov n GLY 88 Ca 0.00 -1.73 0.10 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.85 1.61 0.13 -1.90 -1.42 132.00 129.56 1wov h PRO 89 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 1wov h PRO 89 Cb 0.00 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.05 1wov h PRO 89 CO 0.00 0.16 0.17 -1.71 -0.23 0.00 0.00 178.00 176.39 1wov n ASN 90 N -3.78 3.72 -0.32 1.44 5.15 -1.26 -4.68 115.26 115.53 1wov n ASN 90 Ca -0.02 -2.75 0.19 0.00 -0.60 0.00 0.00 54.58 51.40 1wov n ASN 90 Cb 0.27 -0.65 0.39 0.00 -0.53 0.00 0.00 39.78 39.25 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 1.67 0.62 -0.03 1.20 5.08 -1.46 -2.62 115.95 120.40 1wov h TRP 91 Ca 0.17 0.04 -0.12 0.00 1.08 0.00 0.00 58.89 60.06 1wov h TRP 91 Cb 1.72 -0.12 -0.01 0.00 -3.00 0.00 0.00 29.16 27.75 1wov h TRP 91 CO 0.80 -0.21 -0.54 0.37 -1.28 0.00 0.00 178.44 177.58 1wov h GLN 92 N 0.25 0.09 -0.01 0.12 4.15 -1.87 0.26 115.11 118.10 1wov h GLN 92 Ca 0.65 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 60.02 1wov h GLN 92 Cb 1.42 0.01 0.00 0.00 0.21 0.00 0.00 27.48 29.11 1wov h GLN 92 CO -0.65 0.61 -0.13 0.94 -1.93 0.00 0.00 178.83 177.68 1wov n GLN 93 N -3.90 1.04 -0.12 1.69 -0.06 -1.00 -4.28 117.38 110.75 1wov n GLN 93 Ca -0.02 -0.52 -0.17 0.00 -2.00 0.00 0.00 57.00 54.29 1wov n GLN 93 Cb 0.56 -1.49 -0.11 0.00 -4.06 0.00 0.00 30.24 25.14 1wov n GLN 93 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 1wov n ILE 94 N -0.53 1.37 -0.99 1.69 5.41 0.79 -5.02 119.36 122.08 1wov n ILE 94 Ca 0.16 -0.51 -0.30 0.00 1.00 0.00 0.00 62.75 63.10 1wov n ILE 94 Cb 0.31 -1.38 0.17 0.00 -0.71 0.00 0.00 39.64 38.03 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 -2.48 2.40 -0.15 1.39 -4.36 -0.35 -5.05 121.20 112.60 1wov s ILE 95 Ca -0.32 0.13 -0.10 0.00 -0.26 0.00 0.00 60.65 60.09 1wov s ILE 95 Cb 0.09 -2.46 0.05 0.00 1.25 0.00 0.00 42.46 41.39 1wov s ILE 95 CO 0.54 -0.17 0.38 -1.10 0.24 0.00 0.00 174.94 174.84 1wov s GLN 96 N -4.80 0.39 0.22 0.37 -0.21 -1.26 -5.02 119.66 109.35 1wov s GLN 96 Ca 0.65 0.66 -0.30 0.00 0.02 0.00 0.00 55.36 56.40 1wov s GLN 96 Cb -0.20 0.05 -0.08 0.00 1.00 0.00 0.00 33.01 33.77 1wov s GLN 96 CO 0.59 -0.12 1.03 -1.25 -2.12 0.00 0.00 175.29 173.41 1wov s PRO 97 N 0.96 4.71 0.90 2.91 0.04 -1.26 -4.77 135.00 138.49 1wov s PRO 97 Ca -0.06 1.63 -0.12 0.00 0.04 0.00 0.00 61.00 62.49 1wov s PRO 97 Cb -0.07 -3.27 0.13 0.00 0.04 0.00 0.00 34.50 31.34 1wov s PRO 97 CO -0.08 0.29 1.10 0.95 0.04 0.00 0.00 177.00 179.30 1wov s THR 98 N -0.78 2.52 0.24 1.26 -4.23 -1.26 -4.86 115.64 108.52 1wov s THR 98 Ca 0.45 0.17 -0.06 0.00 -1.18 0.00 0.00 61.69 61.06 1wov s THR 98 Cb -0.28 -2.74 0.21 0.00 1.34 0.00 0.00 72.50 71.03 1wov s THR 98 CO 0.35 -0.22 1.86 -0.65 -0.54 0.00 0.00 174.62 175.42 1wov h PRO 99 N -1.53 0.99 0.00 3.99 0.11 -1.97 -1.90 132.00 131.69 1wov h PRO 99 Ca -0.50 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.45 1wov h PRO 99 Cb 1.30 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1wov h PRO 99 CO 0.57 0.65 -0.46 0.00 -0.21 0.00 0.00 178.00 178.56 1wov h ALA 101 N 1.54 1.21 -0.77 0.00 0.00 -1.71 -1.81 119.26 117.72 1wov h ALA 101 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1wov h ALA 101 Cb 1.03 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1wov h ALA 101 CO 0.06 0.55 0.48 0.87 0.00 0.00 0.00 179.25 181.21 1wov h LYS 102 N 0.81 1.03 -0.60 0.00 1.57 -1.13 -1.15 116.57 117.09 1wov h LYS 102 Ca 0.18 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1wov h LYS 102 Cb 0.29 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1wov h LYS 102 CO -0.00 0.70 0.09 0.82 -0.57 0.00 0.00 179.45 180.49 1wov h ILE 103 N 1.04 1.25 0.34 1.86 1.08 -1.38 -0.85 117.51 120.86 1wov h ILE 103 Ca 0.28 -0.99 -0.02 0.00 -0.39 0.00 0.00 64.86 63.74 1wov h ILE 103 Cb -0.08 0.69 0.00 0.00 -3.07 0.00 0.00 36.82 34.36 1wov h ILE 103 CO -0.06 0.37 -0.16 0.22 -0.69 0.00 0.00 178.15 177.83 1wov h TYR 104 N 0.93 -0.42 -0.89 1.37 5.03 -0.92 -0.96 116.97 121.11 1wov h TYR 104 Ca 0.19 -0.01 0.22 0.00 2.58 0.00 0.00 58.73 61.70 1wov h TYR 104 Cb 0.41 0.14 -0.12 0.00 1.55 0.00 0.00 36.73 38.71 1wov h TYR 104 CO 0.03 -0.16 0.38 0.28 -1.32 0.00 0.00 178.16 177.37 1wov h VAL 105 N -0.63 0.48 -0.29 1.81 2.07 -1.04 -1.95 116.25 116.70 1wov h VAL 105 Ca -0.05 -0.14 -0.15 0.00 0.82 0.00 0.00 66.70 67.19 1wov h VAL 105 Cb 0.45 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1wov h VAL 105 CO 0.08 0.07 -0.42 0.44 0.02 0.00 0.00 177.57 177.76 1wov h ASP 106 N 0.39 0.76 -0.72 0.57 3.45 -0.82 -1.90 116.42 118.16 1wov h ASP 106 Ca 0.55 -0.35 -0.06 0.00 0.43 0.00 0.00 57.03 57.60 1wov h ASP 106 Cb 1.04 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 39.57 1wov h ASP 106 CO -0.53 1.08 0.20 -0.09 -1.57 0.00 0.00 179.24 178.33 1wov h ARG 107 N 0.58 1.14 -0.74 3.56 9.65 -0.45 -1.49 114.38 126.63 1wov h ARG 107 Ca 0.04 -0.26 -0.02 0.00 -1.10 0.00 0.00 59.98 58.65 1wov h ARG 107 Cb 0.96 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 29.35 1wov h ARG 107 CO 0.09 0.98 0.39 -0.07 2.80 0.00 0.00 179.97 184.16 1wov h LEU 108 N 1.08 0.93 -0.72 3.80 3.38 -1.02 -2.24 115.31 120.52 1wov h LEU 108 Ca 0.23 -0.11 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 1wov h LEU 108 Cb 0.34 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1wov h LEU 108 CO -0.00 0.77 -0.59 0.11 0.09 0.00 0.00 178.44 178.82 1wov h LYS 109 N 1.02 0.16 0.62 1.13 1.57 -1.03 -1.92 116.57 118.12 1wov h LYS 109 Ca 0.26 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1wov h LYS 109 Cb 0.06 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.39 1wov h LYS 109 CO -0.04 0.70 -0.30 1.15 -0.57 0.00 0.00 179.45 180.40 1wov h THR 110 N 0.12 0.25 0.00 -0.16 2.02 -1.04 -3.18 112.91 110.92 1wov h THR 110 Ca -0.00 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 66.82 1wov h THR 110 Cb 1.07 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1wov h THR 110 CO 0.09 0.03 -0.26 0.16 0.37 0.00 0.00 175.52 175.91 1wov h ILE 111 N -1.06 0.83 -0.06 3.11 3.07 -1.32 -2.05 117.51 120.03 1wov h ILE 111 Ca -0.08 -1.04 -0.04 0.00 1.55 0.00 0.00 64.86 65.25 1wov h ILE 111 Cb 0.68 1.63 -0.01 0.00 -0.27 0.00 0.00 36.82 38.86 1wov h ILE 111 CO 0.14 0.26 -0.13 0.00 -1.05 0.00 0.00 178.15 177.36 1wov h ALA 112 N 1.74 1.68 0.00 0.16 0.00 -1.35 0.15 119.26 121.64 1wov h ALA 112 Ca -0.00 -0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.52 1wov h ALA 112 Cb 0.61 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1wov h ALA 112 CO 0.03 0.24 -1.71 0.00 0.00 0.00 0.00 179.25 177.82 1wov n ALA 113 N -2.50 1.77 0.01 0.00 0.00 -1.03 -4.27 120.51 114.48 1wov n ALA 113 Ca -0.02 -0.75 0.02 0.00 0.00 0.00 0.00 53.44 52.70 1wov n ALA 113 Cb 0.23 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 1wov n ALA 113 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wov n SER 114 N -2.88 3.87 -2.73 0.00 3.41 -0.80 -4.91 113.62 109.58 1wov n SER 114 Ca -0.16 -0.03 -0.08 0.00 -0.26 0.00 0.00 58.87 58.35 1wov n SER 114 Cb 0.95 1.18 0.07 0.00 -0.26 0.00 0.00 64.21 66.14 1wov n SER 114 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wov n GLU 115 N -1.62 0.77 0.23 4.33 1.02 0.49 -5.04 120.64 120.82 1wov n GLU 115 Ca -0.01 -1.66 0.09 0.00 -0.02 0.00 0.00 57.16 55.56 1wov n GLU 115 Cb 0.11 -1.20 0.58 0.00 -0.02 0.00 0.00 31.44 30.90 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 3.59 0.00 -0.29 3.49 0.13 -1.60 -0.97 132.00 136.35 1wov h PRO 116 Ca -0.15 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.06 1wov h PRO 116 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1wov h PRO 116 CO 0.22 0.20 0.45 1.05 -0.23 0.00 0.00 178.00 179.69 1wov h GLU 117 N 0.00 0.00 0.00 0.86 9.09 -1.94 -0.41 114.58 122.18 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 0.46 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.56 1wov h GLU 117 CO 0.03 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.37 1wov n LEU 118 N -3.39 0.06 0.26 3.06 4.77 -0.37 -1.80 117.00 119.59 1wov n LEU 118 Ca 0.05 0.51 0.11 0.00 -0.03 0.00 0.00 56.01 56.64 1wov n LEU 118 Cb 0.59 -0.50 0.70 0.00 -2.33 0.00 0.00 43.42 41.88 1wov n LEU 118 CO 0.22 -0.15 1.01 -0.07 -1.33 0.00 0.00 177.39 177.06 1wov h LEU 119 N 0.00 0.00 -0.76 2.23 3.38 -1.25 -1.89 115.31 117.03 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 0.38 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 1wov h LEU 119 CO 0.00 0.09 0.43 0.40 0.09 0.00 0.00 178.44 179.45 1wov h ILE 120 N 0.00 0.96 -0.99 1.22 2.04 -1.55 -1.36 117.51 117.84 1wov h ILE 120 Ca -0.00 -0.27 0.15 0.00 1.00 0.00 0.00 64.86 65.74 1wov h ILE 120 Cb 0.20 0.12 -0.09 0.00 -0.74 0.00 0.00 36.82 36.31 1wov h ILE 120 CO 0.01 0.14 0.62 0.00 0.00 0.00 0.00 178.15 178.92 1wov h ALA 121 N 1.40 1.63 0.08 1.87 0.00 -1.55 -1.67 119.26 121.03 1wov h ALA 121 Ca 0.35 0.04 -0.27 0.00 0.00 0.00 0.00 54.91 55.02 1wov h ALA 121 Cb 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1wov h ALA 121 CO -0.20 0.09 -1.32 0.45 0.00 0.00 0.00 179.25 178.27 1wov h HIS 122 N 0.87 0.32 -0.32 0.00 3.86 -1.39 -2.18 115.15 116.30 1wov h HIS 122 Ca 0.51 -0.23 0.04 0.00 -1.16 0.00 0.00 60.37 59.52 1wov h HIS 122 Cb 0.65 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.08 1wov h HIS 122 CO -0.00 1.22 0.11 0.00 0.86 0.00 0.00 177.93 180.12 1wov h TYR 124 N 0.25 -0.49 -0.63 0.00 3.20 -1.30 -0.24 116.97 117.76 1wov h TYR 124 Ca 0.14 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.93 1wov h TYR 124 Cb 0.12 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 1wov h TYR 124 CO -0.14 -0.31 0.09 1.15 -1.64 0.00 0.00 178.16 177.31 1wov h THR 125 N -0.53 1.26 0.00 1.81 2.02 -1.33 -2.26 112.91 113.87 1wov h THR 125 Ca -0.05 -1.03 -0.04 0.00 0.77 0.00 0.00 66.41 66.06 1wov h THR 125 Cb 0.41 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1wov h THR 125 CO 0.09 0.38 -0.46 0.03 0.37 0.00 0.00 175.52 175.93 1wov h ARG 126 N 0.98 0.00 -0.51 6.66 2.47 -1.32 -3.28 114.38 119.38 1wov h ARG 126 Ca 0.19 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.85 1wov h ARG 126 Cb 0.44 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.74 1wov h ARG 126 CO 0.01 0.23 0.08 1.88 0.56 0.00 0.00 179.97 182.74 1wov h TYR 127 N -1.00 0.89 0.00 3.04 0.05 -1.13 0.11 116.97 118.93 1wov h TYR 127 Ca -0.06 -0.12 -0.04 0.00 0.05 0.00 0.00 58.73 58.56 1wov h TYR 127 Cb 0.54 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 1wov h TYR 127 CO -0.08 0.81 -0.21 -0.07 -1.05 0.00 0.00 178.16 177.56 1wov h LEU 128 N 0.72 0.00 -0.28 3.88 3.38 -1.50 -2.26 115.31 119.24 1wov h LEU 128 Ca 0.15 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 1wov h LEU 128 Cb 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1wov h LEU 128 CO 0.01 0.21 -0.26 1.23 0.09 0.00 0.00 178.44 179.72 1wov h GLY 129 N 1.60 0.74 0.93 0.83 0.00 -1.47 -2.63 103.07 103.08 1wov h GLY 129 Ca -0.00 -0.75 0.04 0.00 0.00 0.00 0.00 47.33 46.62 1wov h GLY 129 CO 0.03 0.68 0.61 -0.55 0.00 0.00 0.00 176.54 177.31 1wov h ASP 130 N 0.42 1.00 0.16 0.19 3.45 -0.55 -1.59 116.42 119.50 1wov h ASP 130 Ca 0.05 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.50 1wov h ASP 130 Cb 0.83 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 39.37 1wov h ASP 130 CO 0.07 0.68 -0.05 0.18 -1.57 0.00 0.00 179.24 178.55 1wov n LEU 131 N -4.45 0.60 0.00 1.55 4.77 -0.89 -3.78 117.00 114.79 1wov n LEU 131 Ca 0.13 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1wov n LEU 131 Cb 0.12 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1wov n LEU 131 CO 0.34 0.10 0.00 -1.20 -1.33 0.00 0.00 177.39 175.31 1wov n SER 132 N -0.68 0.00 -0.35 -1.43 7.64 -0.75 -4.76 113.62 113.28 1wov n SER 132 Ca 0.18 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.20 1wov n SER 132 Cb 0.25 0.00 0.33 0.00 -1.01 0.00 0.00 64.21 63.77 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 1.80 2.00 0.23 0.00 -1.81 -0.92 103.07 104.37 1wov h GLY 133 Ca 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 1wov h GLY 133 CO 0.00 -0.08 -0.00 -1.33 0.00 0.00 0.00 176.54 175.13 1wov h GLY 134 N 0.75 0.00 2.00 4.60 0.00 -1.47 -0.22 103.07 108.73 1wov h GLY 134 Ca 0.59 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.77 1wov h GLY 134 CO -0.39 0.00 -0.67 1.46 0.00 0.00 0.00 176.54 176.94 1wov h GLN 135 N 0.00 0.00 -0.04 4.80 1.08 -1.25 -0.39 115.11 119.31 1wov h GLN 135 Ca -0.00 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.98 1wov h GLN 135 Cb 0.00 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1wov h GLN 135 CO 0.00 0.67 -0.89 0.77 -0.95 0.00 0.00 178.83 178.44 1wov h SER 136 N 0.00 0.65 -0.39 1.46 0.02 -1.19 -3.22 113.55 110.88 1wov h SER 136 Ca -0.01 -0.48 -0.06 0.00 -0.84 0.00 0.00 61.79 60.40 1wov h SER 136 Cb 1.24 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 1wov h SER 136 CO 0.09 1.27 0.05 -0.07 -1.14 0.00 0.00 176.83 177.03 1wov h LEU 137 N 0.32 0.70 -0.47 5.07 3.38 -0.66 -2.62 115.31 121.02 1wov h LEU 137 Ca -0.07 -0.14 0.07 0.00 0.09 0.00 0.00 57.88 57.83 1wov h LEU 137 Cb 1.51 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 42.01 1wov h LEU 137 CO 0.16 0.73 0.11 0.50 0.09 0.00 0.00 178.44 180.03 1wov h LYS 138 N 0.71 0.24 -0.74 1.13 3.64 -1.13 0.19 116.57 120.61 1wov h LYS 138 Ca 0.15 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1wov h LYS 138 Cb 0.36 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1wov h LYS 138 CO 0.01 0.16 0.33 -0.91 -2.27 0.00 0.00 179.45 176.76 1wov h ASN 139 N 0.25 1.00 -0.04 4.20 2.35 -1.49 -2.30 115.58 119.55 1wov h ASN 139 Ca 0.23 -0.15 -0.16 0.00 -0.55 0.00 0.00 56.30 55.66 1wov h ASN 139 Cb 0.29 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1wov h ASN 139 CO -0.29 0.87 -0.53 0.40 -1.65 0.00 0.00 177.43 176.23 1wov h ILE 140 N 1.05 1.31 -0.32 2.81 2.04 -1.03 -2.30 117.51 121.08 1wov h ILE 140 Ca 0.25 -1.77 -0.01 0.00 1.00 0.00 0.00 64.86 64.33 1wov h ILE 140 Cb 0.17 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1wov h ILE 140 CO -0.03 0.55 0.15 0.40 0.00 0.00 0.00 178.15 179.22 1wov h ILE 141 N 0.48 1.16 -0.26 -0.67 2.04 -0.86 0.17 117.51 119.57 1wov h ILE 141 Ca 0.01 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 1wov h ILE 141 Cb 1.09 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 1wov h ILE 141 CO 0.10 0.17 0.01 0.03 0.00 0.00 0.00 178.15 178.47 1wov h ARG 142 N 0.37 0.46 -0.08 2.37 3.08 -1.36 -1.09 114.38 118.12 1wov h ARG 142 Ca 0.11 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1wov h ARG 142 Cb 0.14 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1wov h ARG 142 CO -0.01 0.61 -0.00 1.03 -1.07 0.00 0.00 179.97 180.53 1wov h SER 143 N 0.25 0.14 -0.53 7.04 0.87 -1.31 -0.81 113.55 119.21 1wov h SER 143 Ca 0.08 -0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.32 1wov h SER 143 Cb 0.40 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 1wov h SER 143 CO 0.01 0.42 0.30 0.00 -0.53 0.00 0.00 176.83 177.04 1wov h ALA 144 N 0.73 0.67 -0.11 6.23 0.00 -0.62 -2.73 119.26 123.44 1wov h ALA 144 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1wov h ALA 144 Cb 0.35 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1wov h ALA 144 CO 0.00 0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.71 1wov n LEU 145 N -4.66 2.16 -3.78 0.00 4.77 -0.42 -4.95 117.00 110.13 1wov n LEU 145 Ca 0.03 -0.80 -0.24 0.00 -0.03 0.00 0.00 56.01 54.96 1wov n LEU 145 Cb 0.07 -0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1wov n LEU 145 CO 0.36 0.40 -0.02 0.00 -1.33 0.00 0.00 177.39 176.80 1wov n GLN 146 N 0.67 -5.02 -2.40 3.23 1.13 -0.33 -4.93 117.38 109.72 1wov n GLN 146 Ca 0.17 0.60 -0.40 0.00 -1.94 0.00 0.00 57.00 55.43 1wov n GLN 146 Cb 0.44 -5.24 -0.04 0.00 0.11 0.00 0.00 30.24 25.52 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 -6.89 4.52 0.59 1.08 1.43 -1.05 -5.04 118.68 113.32 1wov s LEU 147 Ca 0.21 2.33 -0.18 0.00 -1.03 0.00 0.00 54.13 55.47 1wov s LEU 147 Cb -0.11 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 1wov s LEU 147 CO 0.82 -0.23 1.13 -2.16 0.23 0.00 0.00 176.35 176.15 1wov s PRO 148 N -1.37 3.08 0.30 1.29 0.04 -1.26 -4.93 135.00 132.16 1wov s PRO 148 Ca 0.46 1.57 -0.20 0.00 0.04 0.00 0.00 61.00 62.87 1wov s PRO 148 Cb -0.33 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.14 1wov s PRO 148 CO 0.43 -1.06 0.81 -1.21 0.04 0.00 0.00 177.00 176.01 1wov s GLU 149 N -3.58 4.26 0.00 4.56 0.41 -1.26 -2.95 118.70 120.13 1wov s GLU 149 Ca 0.71 0.96 0.00 0.00 -0.41 0.00 0.00 54.97 56.24 1wov s GLU 149 Cb -0.24 -2.64 0.00 0.00 -1.78 0.00 0.00 34.13 29.48 1wov s GLU 149 CO 0.33 0.24 0.00 0.41 -0.49 0.00 0.00 175.26 175.75 1wov n GLY 150 N 0.19 0.80 3.31 -1.39 0.00 -1.26 -5.03 105.19 101.82 1wov n GLY 150 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.48 1.67 0.00 1.61 0.41 -1.15 -4.92 118.70 115.84 1wov s GLU 151 Ca 0.00 -1.04 0.00 0.00 -0.41 0.00 0.00 54.97 53.52 1wov s GLU 151 Cb 0.00 -1.82 0.00 0.00 -1.78 0.00 0.00 34.13 30.53 1wov s GLU 151 CO 0.00 0.47 0.00 0.41 -0.49 0.00 0.00 175.26 175.65 1wov n GLY 152 N 1.85 0.84 1.81 -1.39 0.00 -1.26 -4.62 105.19 102.42 1wov n GLY 152 Ca -0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 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 1.21 -0.09 2.61 -2.24 -1.26 -4.88 114.28 107.63 1wov n THR 153 Ca 0.00 -2.52 0.15 0.00 -2.27 0.00 0.00 64.05 59.41 1wov n THR 153 Cb 0.00 0.51 0.55 0.00 -2.10 0.00 0.00 70.33 69.29 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 1.67 2.17 -1.07 6.98 0.00 -1.89 -2.12 119.26 125.00 1wov h ALA 154 Ca -0.06 -0.01 0.29 0.00 0.00 0.00 0.00 54.91 55.13 1wov h ALA 154 Cb 1.48 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 19.12 1wov h ALA 154 CO 0.21 -0.33 0.68 1.98 0.00 0.00 0.00 179.25 181.79 1wov h MET 155 N 0.31 0.36 -0.59 0.00 -1.53 -1.90 0.04 114.93 111.63 1wov h MET 155 Ca 0.30 -0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.54 1wov h MET 155 Cb 0.77 -0.08 0.00 0.00 -0.55 0.00 0.00 31.60 31.73 1wov h MET 155 CO -0.08 0.24 0.00 0.66 0.14 0.00 0.00 176.91 177.88 1wov n TYR 156 N -4.70 0.78 -3.75 1.39 4.01 -0.80 -4.89 117.16 109.19 1wov n TYR 156 Ca 0.28 -0.46 -0.37 0.00 -0.16 0.00 0.00 57.90 57.18 1wov n TYR 156 Cb 0.94 -0.01 -0.13 0.00 -0.31 0.00 0.00 39.34 39.84 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 -1.05 3.33 -0.42 -0.72 2.02 0.00 -4.94 118.70 116.93 1wov s GLU 157 Ca 0.41 -0.70 -0.08 0.00 0.02 0.00 0.00 54.97 54.63 1wov s GLU 157 Cb 0.22 -3.36 0.09 0.00 0.10 0.00 0.00 34.13 31.17 1wov s GLU 157 CO 0.28 -0.34 0.25 -0.06 0.02 0.00 0.00 175.26 175.41 1wov s PHE 158 N 1.55 3.39 0.34 1.61 0.40 -1.26 -5.00 117.98 119.01 1wov s PHE 158 Ca 0.04 -1.76 0.09 0.00 -0.60 0.00 0.00 56.93 54.70 1wov s PHE 158 Cb -0.16 -3.04 0.84 0.00 0.51 0.00 0.00 43.02 41.16 1wov s PHE 158 CO 0.03 -0.89 1.80 -0.44 0.70 0.00 0.00 175.22 176.42 1wov h ASP 159 N 8.33 0.68 0.68 1.36 3.32 -1.97 -0.36 116.42 128.45 1wov h ASP 159 Ca -0.21 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1wov h ASP 159 Cb 1.07 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1wov h ASP 159 CO 0.75 0.26 -0.08 -1.54 -1.72 0.00 0.00 179.24 176.91 1wov n SER 160 N -4.67 0.15 -3.11 6.45 3.41 -1.26 -4.45 113.62 110.14 1wov n SER 160 Ca 0.22 -0.01 -0.21 0.00 -0.26 0.00 0.00 58.87 58.62 1wov n SER 160 Cb 0.60 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 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 -1.32 1.93 0.24 1.04 4.77 -0.14 -4.94 117.00 118.58 1wov n LEU 161 Ca 0.11 -5.20 0.16 0.00 -0.03 0.00 0.00 56.01 51.04 1wov n LEU 161 Cb 0.29 0.34 0.56 0.00 -2.33 0.00 0.00 43.42 42.28 1wov n LEU 161 CO 0.26 2.30 0.94 1.55 -1.33 0.00 0.00 177.39 181.11 1wov h PRO 162 N 2.99 0.00 -6.17 3.23 0.13 -1.77 -3.43 132.00 126.97 1wov h PRO 162 Ca 0.11 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.70 1wov h PRO 162 Cb 0.83 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.89 1wov h PRO 162 CO 0.60 0.00 -0.57 0.95 -0.23 0.00 0.00 178.00 178.74 1wov s THR 163 N -3.52 3.59 0.44 1.56 -4.23 -1.26 -4.99 115.64 107.22 1wov s THR 163 Ca 0.03 -1.70 0.13 0.00 -1.18 0.00 0.00 61.69 58.97 1wov s THR 163 Cb 0.08 -3.04 0.19 0.00 1.34 0.00 0.00 72.50 71.07 1wov s THR 163 CO 0.55 -0.31 1.99 -0.65 -0.54 0.00 0.00 174.62 175.66 1wov h PRO 164 N 1.66 0.09 -0.37 3.99 0.11 -2.00 -1.18 132.00 134.28 1wov h PRO 164 Ca -0.45 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 1wov h PRO 164 Cb 1.25 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1wov h PRO 164 CO 0.61 0.22 0.09 0.78 -0.21 0.00 0.00 178.00 179.50 1wov h GLY 165 N 0.55 0.65 1.04 -0.55 0.00 -1.96 -1.50 103.07 101.30 1wov h GLY 165 Ca 0.02 -0.40 0.07 0.00 0.00 0.00 0.00 47.33 47.01 1wov h GLY 165 CO 0.02 0.38 0.46 -0.55 0.00 0.00 0.00 176.54 176.85 1wov h ASP 166 N 0.46 0.62 0.29 0.19 3.45 -1.58 -1.93 116.42 117.91 1wov h ASP 166 Ca 0.12 0.00 -0.33 0.00 0.43 0.00 0.00 57.03 57.25 1wov h ASP 166 Cb 0.30 -0.13 0.04 0.00 -0.56 0.00 0.00 39.33 38.98 1wov h ASP 166 CO 0.00 0.40 -1.48 0.03 -1.57 0.00 0.00 179.24 176.62 1wov h ARG 167 N 0.70 0.52 -0.05 3.56 3.08 -1.00 -0.08 114.38 121.11 1wov h ARG 167 Ca 0.31 -0.89 0.02 0.00 0.07 0.00 0.00 59.98 59.49 1wov h ARG 167 Cb 0.30 0.33 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 1wov h ARG 167 CO -0.10 1.43 -0.07 -0.09 -1.07 0.00 0.00 179.97 180.06 1wov h ARG 168 N 0.14 -0.10 0.00 0.04 2.43 -1.25 -1.86 114.38 113.78 1wov h ARG 168 Ca -0.25 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 58.86 1wov h ARG 168 Cb 2.16 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.72 1wov h ARG 168 CO 0.27 -0.07 -0.31 1.96 -1.51 0.00 0.00 179.97 180.31 1wov h GLN 169 N -0.10 0.00 -0.43 0.20 4.20 -1.31 -2.29 115.11 115.38 1wov h GLN 169 Ca 0.05 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 1wov h GLN 169 Cb 0.17 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1wov h GLN 169 CO -0.12 0.31 -0.02 0.35 -0.67 0.00 0.00 178.83 178.69 1wov h PHE 170 N 0.00 0.85 -0.52 2.96 3.57 -0.88 -2.39 116.94 120.54 1wov h PHE 170 Ca -0.00 -0.16 -0.04 0.00 3.53 0.00 0.00 57.97 61.31 1wov h PHE 170 Cb 0.58 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1wov h PHE 170 CO 0.00 0.85 0.18 0.87 -2.23 0.00 0.00 178.31 177.97 1wov h LYS 171 N 0.61 0.76 -0.05 1.11 1.57 -1.09 -0.97 116.57 118.52 1wov h LYS 171 Ca 0.12 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1wov h LYS 171 Cb 0.52 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1wov h LYS 171 CO 0.03 0.65 -0.07 0.93 -0.57 0.00 0.00 179.45 180.42 1wov h GLU 172 N 0.75 -0.10 -0.27 3.15 5.08 -0.92 -1.35 114.58 120.92 1wov h GLU 172 Ca 0.18 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 1wov h GLU 172 Cb 0.20 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1wov h GLU 172 CO -0.01 -0.06 -0.08 -0.84 -1.00 0.00 0.00 179.01 177.01 1wov h ILE 173 N -0.10 1.21 -0.24 3.13 -0.00 -1.10 -2.30 117.51 118.11 1wov h ILE 173 Ca 0.05 -0.87 -0.05 0.00 -0.00 0.00 0.00 64.86 63.98 1wov h ILE 173 Cb 0.17 1.09 -0.01 0.00 -0.00 0.00 0.00 36.82 38.07 1wov h ILE 173 CO -0.11 0.29 -0.05 0.22 -0.00 0.00 0.00 178.15 178.49 1wov h TYR 174 N 0.42 0.51 -0.79 0.16 5.03 -0.95 0.10 116.97 121.45 1wov h TYR 174 Ca 0.08 -0.11 0.02 0.00 2.58 0.00 0.00 58.73 61.31 1wov h TYR 174 Cb 0.40 -0.12 -0.04 0.00 1.55 0.00 0.00 36.73 38.52 1wov h TYR 174 CO 0.01 0.67 0.52 0.00 -1.32 0.00 0.00 178.16 178.05 1wov h ARG 175 N 0.19 0.99 -0.27 1.82 3.08 -1.11 0.14 114.38 119.23 1wov h ARG 175 Ca 0.06 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1wov h ARG 175 Cb 0.51 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1wov h ARG 175 CO 0.02 0.66 -0.14 -0.44 -1.07 0.00 0.00 179.97 179.00 1wov h ASP 176 N 1.02 0.45 -0.27 7.04 3.32 -0.81 -0.21 116.42 126.95 1wov h ASP 176 Ca 0.30 -0.12 -0.16 0.00 0.02 0.00 0.00 57.03 57.07 1wov h ASP 176 Cb -0.04 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 1wov h ASP 176 CO -0.08 0.62 -0.45 0.58 -1.72 0.00 0.00 179.24 178.19 1wov h VAL 177 N 0.42 1.29 -0.66 -1.35 2.07 0.72 -1.26 116.25 117.48 1wov h VAL 177 Ca 0.08 -1.65 0.05 0.00 0.82 0.00 0.00 66.70 66.00 1wov h VAL 177 Cb 0.50 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 1wov h VAL 177 CO 0.03 0.53 0.38 -0.07 0.02 0.00 0.00 177.57 178.46 1wov h LEU 178 N 0.55 0.57 -1.19 2.57 3.38 -0.37 -2.30 115.31 118.52 1wov h LEU 178 Ca 0.02 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1wov h LEU 178 Cb 1.05 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1wov h LEU 178 CO 0.10 0.38 -0.04 0.78 0.09 0.00 0.00 178.44 179.75 1wov h ASN 179 N 0.71 0.00 1.78 -0.43 2.35 -0.65 -2.90 115.58 116.43 1wov h ASN 179 Ca 0.29 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.01 1wov h ASN 179 Cb 0.15 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 1wov h ASN 179 CO -0.16 0.04 -0.15 0.77 -1.65 0.00 0.00 177.43 176.27 1wov h SER 180 N 0.00 0.00 -3.08 5.81 4.64 -0.67 0.12 113.55 120.37 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 0.63 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.78 1wov h SER 180 CO 0.01 0.15 0.90 -0.76 -0.87 0.00 0.00 176.83 176.26 1wov s LEU 181 N -6.30 4.36 -1.24 5.97 1.43 -1.07 -4.85 118.68 116.98 1wov s LEU 181 Ca 0.06 2.82 -0.17 0.00 -1.03 0.00 0.00 54.13 55.81 1wov s LEU 181 Cb 0.06 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.64 1wov s LEU 181 CO 0.69 -0.88 2.12 -0.81 0.23 0.00 0.00 176.35 177.69 1wov n PRO 182 N 2.98 2.43 -4.88 1.29 -0.04 -1.26 -4.81 135.00 130.70 1wov n PRO 182 Ca 0.11 -2.39 -0.31 0.00 -0.04 0.00 0.00 63.50 60.87 1wov n PRO 182 Cb 0.37 -3.19 -0.14 0.00 -0.04 0.00 0.00 33.50 30.51 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 2.08 2.45 0.71 1.53 1.43 -1.26 -5.13 118.68 120.48 1wov s LEU 183 Ca 0.51 -0.41 -0.06 0.00 -1.03 0.00 0.00 54.13 53.14 1wov s LEU 183 Cb 0.14 -1.45 0.08 0.00 0.03 0.00 0.00 46.19 44.98 1wov s LEU 183 CO -0.02 0.29 1.01 1.51 0.23 0.00 0.00 176.35 179.37 1wov s ASP 184 N -1.09 4.65 0.18 2.29 1.47 -1.26 -4.85 116.67 118.07 1wov s ASP 184 Ca 0.13 0.27 -0.15 0.00 1.18 0.00 0.00 52.55 53.98 1wov s ASP 184 Cb -0.10 -0.86 0.16 0.00 -0.34 0.00 0.00 42.92 41.77 1wov s ASP 184 CO 0.02 -1.68 1.67 -0.08 0.68 0.00 0.00 175.17 175.79 1wov h GLU 185 N -0.60 0.06 -0.24 2.11 4.81 -2.01 -1.71 114.58 117.00 1wov h GLU 185 Ca -0.43 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.71 1wov h GLU 185 Cb 1.30 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 1wov h GLU 185 CO 0.55 0.04 -0.20 0.00 -0.73 0.00 0.00 179.01 178.67 1wov h ALA 186 N 1.45 0.35 -0.38 2.92 0.00 -1.99 -1.91 119.26 119.69 1wov h ALA 186 Ca 0.23 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1wov h ALA 186 Cb 0.36 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1wov h ALA 186 CO -0.44 0.28 0.21 1.15 0.00 0.00 0.00 179.25 180.45 1wov h THR 187 N 0.27 1.01 -0.78 0.00 2.02 -1.91 -1.33 112.91 112.19 1wov h THR 187 Ca 0.04 -0.14 0.16 0.00 0.77 0.00 0.00 66.41 67.24 1wov h THR 187 Cb 0.74 0.55 -0.11 0.00 -1.74 0.00 0.00 68.15 67.59 1wov h THR 187 CO 0.05 0.08 0.28 0.40 0.37 0.00 0.00 175.52 176.70 1wov h ILE 188 N 0.42 0.58 -0.19 3.11 2.04 -1.21 -0.43 117.51 121.84 1wov h ILE 188 Ca 0.16 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.82 1wov h ILE 188 Cb 0.04 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.26 1wov h ILE 188 CO -0.09 0.07 -0.14 0.78 0.00 0.00 0.00 178.15 178.77 1wov h ASN 189 N 0.39 0.29 -0.34 1.72 2.35 -1.04 -0.11 115.58 118.84 1wov h ASN 189 Ca 0.44 -0.07 -0.14 0.00 -0.55 0.00 0.00 56.30 55.99 1wov h ASN 189 Cb 0.74 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 1wov h ASN 189 CO -0.46 0.46 -0.32 0.03 -1.65 0.00 0.00 177.43 175.49 1wov h ARG 190 N 0.28 0.86 -0.64 0.81 3.08 -0.71 -1.58 114.38 116.50 1wov h ARG 190 Ca 0.06 -0.41 -0.07 0.00 0.07 0.00 0.00 59.98 59.62 1wov h ARG 190 Cb 0.43 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1wov h ARG 190 CO 0.03 1.06 0.11 0.82 -1.07 0.00 0.00 179.97 180.91 1wov h ILE 191 N 0.73 1.26 -0.43 2.04 2.04 -0.53 -0.91 117.51 121.70 1wov h ILE 191 Ca 0.08 -1.01 -0.07 0.00 1.00 0.00 0.00 64.86 64.86 1wov h ILE 191 Cb 0.88 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1wov h ILE 191 CO 0.08 0.38 0.00 0.58 0.00 0.00 0.00 178.15 179.19 1wov h VAL 192 N 0.96 1.26 -0.75 1.67 2.07 -0.83 -0.82 116.25 119.81 1wov h VAL 192 Ca 0.19 -1.02 0.03 0.00 0.82 0.00 0.00 66.70 66.72 1wov h VAL 192 Cb 0.43 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 1wov h VAL 192 CO 0.01 0.35 0.47 -0.08 0.02 0.00 0.00 177.57 178.35 1wov h GLU 193 N 0.60 0.90 -0.30 1.57 4.81 -1.19 -1.79 114.58 119.17 1wov h GLU 193 Ca 0.12 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 1wov h GLU 193 Cb 0.48 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1wov h GLU 193 CO 0.02 0.60 -0.08 1.49 -0.73 0.00 0.00 179.01 180.31 1wov h GLU 194 N 0.93 0.48 -0.23 1.92 4.57 -0.85 -2.01 114.58 119.38 1wov h GLU 194 Ca 0.30 -0.12 -0.10 0.00 -1.18 0.00 0.00 59.36 58.26 1wov h GLU 194 Cb 0.01 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1wov h GLU 194 CO -0.11 0.57 -0.26 0.00 -1.18 0.00 0.00 179.01 178.03 1wov h ALA 195 N 1.47 1.11 -0.36 2.92 0.00 -0.52 0.59 119.26 124.48 1wov h ALA 195 Ca 0.09 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 1wov h ALA 195 Cb 0.42 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1wov h ALA 195 CO 0.02 0.55 -0.15 -0.91 0.00 0.00 0.00 179.25 178.77 1wov h ASN 196 N 0.40 0.63 -0.36 0.00 -0.26 -0.94 -1.35 115.58 113.70 1wov h ASN 196 Ca 0.06 -0.19 -0.10 0.00 -0.56 0.00 0.00 56.30 55.51 1wov h ASN 196 Cb 0.67 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.76 1wov h ASN 196 CO 0.05 0.80 -0.17 0.22 -1.06 0.00 0.00 177.43 177.27 1wov h TYR 197 N 0.58 0.87 -0.37 1.19 3.20 -0.92 -2.01 116.97 119.51 1wov h TYR 197 Ca 0.10 -0.21 0.06 0.00 3.14 0.00 0.00 58.73 61.82 1wov h TYR 197 Cb 0.58 -0.20 -0.06 0.00 1.54 0.00 0.00 36.73 38.59 1wov h TYR 197 CO 0.02 0.94 0.02 0.00 -1.64 0.00 0.00 178.16 177.50 1wov h ALA 198 N 0.80 0.35 -0.81 1.82 0.00 -0.60 -0.17 119.26 120.65 1wov h ALA 198 Ca 0.08 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1wov h ALA 198 Cb 0.71 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 1wov h ALA 198 CO 0.05 -0.38 0.52 0.74 0.00 0.00 0.00 179.25 180.18 1wov h PHE 199 N 0.12 0.97 -0.26 0.00 -1.00 -0.96 -1.37 116.94 114.45 1wov h PHE 199 Ca 0.18 0.03 0.05 0.00 2.81 0.00 0.00 57.97 61.03 1wov h PHE 199 Cb 0.24 -0.32 -0.05 0.00 3.61 0.00 0.00 35.95 39.43 1wov h PHE 199 CO -0.24 0.56 -0.03 1.03 -1.61 0.00 0.00 178.31 178.02 1wov h SER 200 N 1.01 -0.17 -0.69 2.17 0.87 -0.65 -0.80 113.55 115.30 1wov h SER 200 Ca 0.32 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.94 1wov h SER 200 Cb 0.01 0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 1wov h SER 200 CO -0.11 -0.05 0.38 -0.07 -0.53 0.00 0.00 176.83 176.45 1wov h LEU 201 N 0.04 0.85 -1.28 2.23 3.38 -0.81 -1.58 115.31 118.14 1wov h LEU 201 Ca 0.12 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1wov h LEU 201 Cb 0.18 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1wov h LEU 201 CO -0.24 0.70 0.39 0.78 0.09 0.00 0.00 178.44 180.16 1wov h ASN 202 N 0.94 0.78 -0.49 -0.43 2.35 -1.02 -1.20 115.58 116.52 1wov h ASN 202 Ca 0.24 -0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.88 1wov h ASN 202 Cb 0.03 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1wov h ASN 202 CO -0.04 0.60 0.06 0.03 -1.65 0.00 0.00 177.43 176.43 1wov h ARG 203 N 0.90 0.88 0.00 0.81 3.08 -0.53 -2.24 114.38 117.28 1wov h ARG 203 Ca 0.24 -0.22 -0.12 0.00 0.07 0.00 0.00 59.98 59.94 1wov h ARG 203 Cb -0.04 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1wov h ARG 203 CO -0.04 0.84 -0.59 0.93 -1.07 0.00 0.00 179.97 180.04 1wov h GLU 204 N 0.83 0.00 -0.62 0.04 4.39 -0.92 -1.57 114.58 116.74 1wov h GLU 204 Ca 0.17 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.83 1wov h GLU 204 Cb 0.41 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 1wov h GLU 204 CO 0.01 0.59 0.21 0.28 -1.16 0.00 0.00 179.01 178.94 1wov h VAL 205 N 0.00 1.23 0.00 3.13 2.07 -0.83 -1.93 116.25 119.92 1wov h VAL 205 Ca -0.01 -0.76 -0.15 0.00 0.82 0.00 0.00 66.70 66.61 1wov h VAL 205 Cb 1.31 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1wov h VAL 205 CO 0.08 0.30 -0.69 0.24 0.02 0.00 0.00 177.57 177.51 1wov h MET 206 N 0.90 0.00 0.00 1.57 2.86 -1.01 -3.03 114.93 116.22 1wov h MET 206 Ca 0.21 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.76 1wov h MET 206 Cb 0.23 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1wov h MET 206 CO -0.01 0.69 -0.40 1.25 1.06 0.00 0.00 176.91 179.50 1wov h HIS 207 N 0.00 0.00 0.00 -0.22 6.17 -0.52 -1.02 115.15 119.56 1wov h HIS 207 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.07 1wov h HIS 207 Cb 1.26 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.19 1wov h HIS 207 CO 0.00 0.40 0.00 -0.44 0.71 0.00 0.00 177.93 178.60 1wov h ASP 208 N 0.00 0.00 -0.02 3.26 3.32 -1.33 -2.83 116.42 118.82 1wov h ASP 208 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wov h ASP 208 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.32 1wov h ASP 208 CO 0.05 0.00 -0.05 0.18 -1.72 0.00 0.00 179.24 177.70 1wov n LEU 209 N -2.85 2.22 0.14 1.55 4.77 -0.39 -4.61 117.00 117.83 1wov n LEU 209 Ca -0.00 -0.96 0.01 0.00 -0.03 0.00 0.00 56.01 55.02 1wov n LEU 209 Cb 0.19 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.45 1wov n LEU 209 CO 0.22 0.40 0.50 -0.08 -1.33 0.00 0.00 177.39 177.10 1wov h GLU 210 N 2.93 0.00 0.00 3.23 4.81 -1.45 -2.60 114.58 121.50 1wov h GLU 210 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1wov h GLU 210 Cb 0.65 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 1wov h GLU 210 CO 0.00 0.58 -0.09 -0.44 -0.73 0.00 0.00 179.01 178.33 1wov h ASP 211 N 0.00 0.00 0.79 1.04 3.32 -1.82 -1.35 116.42 118.40 1wov h ASP 211 Ca -0.01 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.83 1wov h ASP 211 Cb 1.15 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 1wov h ASP 211 CO 0.08 0.09 -0.98 -0.07 -1.72 0.00 0.00 179.24 176.64 1wov h LEU 212 N 0.00 0.15 -0.06 1.55 3.38 -1.80 -1.15 115.31 117.39 1wov h LEU 212 Ca -0.00 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 1wov h LEU 212 Cb 0.19 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1wov h LEU 212 CO 0.01 1.04 -0.03 0.40 0.09 0.00 0.00 178.44 179.95 1wov h ILE 213 N 0.04 1.33 -1.01 1.22 2.04 -1.37 -2.98 117.51 116.79 1wov h ILE 213 Ca -0.04 -1.05 0.25 0.00 1.00 0.00 0.00 64.86 65.02 1wov h ILE 213 Cb 1.68 1.91 -0.08 0.00 -0.74 0.00 0.00 36.82 39.59 1wov h ILE 213 CO 0.14 0.29 0.66 0.50 0.00 0.00 0.00 178.15 179.74 1wov h LYS 214 N -0.26 0.35 0.00 2.37 3.64 -1.10 -1.63 116.57 119.94 1wov h LYS 214 Ca 0.01 -0.02 -0.21 0.00 -1.27 0.00 0.00 60.65 59.16 1wov h LYS 214 Cb 0.48 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1wov h LYS 214 CO 0.01 0.23 -1.13 0.00 -2.27 0.00 0.00 179.45 176.29 1wov h ALA 215 N 1.60 0.54 -0.44 5.00 0.00 -1.23 0.80 119.26 125.52 1wov h ALA 215 Ca 0.55 -0.96 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 1wov h ALA 215 Cb 1.46 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1wov h ALA 215 CO -0.23 1.19 -0.14 0.00 0.00 0.00 0.00 179.25 180.07 1wov h ALA 216 N 1.13 0.61 0.00 0.00 0.00 -1.16 -3.34 119.26 116.50 1wov h ALA 216 Ca -0.09 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1wov h ALA 216 Cb 1.75 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1wov h ALA 216 CO 0.10 0.53 -0.81 0.44 0.00 0.00 0.00 179.25 179.51 1wov n ILE 217 N -4.24 0.00 0.00 0.00 -5.35 -0.80 -5.11 119.36 103.86 1wov n ILE 217 Ca -0.01 -0.20 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 1wov n ILE 217 Cb 0.40 0.87 0.00 0.00 -1.74 0.00 0.00 39.64 39.17 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 1.38 -0.83 0.21 3.28 0.00 0.27 -4.43 105.19 105.08 1wov n GLY 218 Ca 0.02 -1.60 -0.05 0.00 0.00 0.00 0.00 46.02 44.39 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 0.41 0.82 1.61 5.08 -1.95 -1.39 114.58 119.16 1wov h GLU 219 Ca 0.00 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 1wov h GLU 219 Cb 0.00 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1wov h GLU 219 CO 0.00 0.75 -0.39 1.25 -1.00 0.00 0.00 179.01 179.61 1wov h HIS 220 N 0.34 -1.02 -0.80 4.33 2.76 -1.94 0.77 115.15 119.58 1wov h HIS 220 Ca 0.03 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1wov h HIS 220 Cb 0.86 0.34 -0.04 0.00 1.55 0.00 0.00 27.41 30.12 1wov h HIS 220 CO 0.03 -0.63 0.45 1.15 -1.30 0.00 0.00 177.93 177.63 1wov h THR 221 N -1.13 1.24 -0.79 6.26 2.02 -1.76 -1.65 112.91 117.10 1wov h THR 221 Ca -0.11 -0.58 0.02 0.00 0.77 0.00 0.00 66.41 66.51 1wov h THR 221 Cb 0.85 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 1wov h THR 221 CO 0.18 0.26 0.51 0.15 0.37 0.00 0.00 175.52 177.00 1wov h PHE 222 N 1.12 0.97 -0.15 3.16 3.04 -1.05 0.12 116.94 124.14 1wov h PHE 222 Ca 0.28 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.25 1wov h PHE 222 Cb 0.02 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 38.20 1wov h PHE 222 CO 0.00 0.59 0.08 -0.44 -2.02 0.00 0.00 178.31 176.53 1wov h ASP 223 N 1.03 0.19 -0.40 0.41 3.32 -0.42 -1.64 116.42 118.90 1wov h ASP 223 Ca 0.30 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 1wov h ASP 223 Cb -0.08 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1wov h ASP 223 CO -0.08 0.22 0.08 -0.07 -1.72 0.00 0.00 179.24 177.67 1wov h LEU 224 N 0.14 0.63 -1.32 1.55 3.38 -0.83 -2.71 115.31 116.15 1wov h LEU 224 Ca 0.05 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1wov h LEU 224 Cb 0.07 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1wov h LEU 224 CO -0.01 0.71 -0.05 -0.07 0.09 0.00 0.00 178.44 179.12 1wov h LEU 225 N 0.51 0.00 -1.92 1.67 3.38 -0.85 -3.16 115.31 114.94 1wov h LEU 225 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1wov h LEU 225 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1wov h LEU 225 CO 0.00 0.05 0.00 0.35 0.09 0.00 0.00 178.44 178.93 1wov n THR 226 N -3.16 0.23 -0.09 0.22 -2.24 -0.63 -4.68 114.28 103.94 1wov n THR 226 Ca 0.01 -0.62 -0.14 0.00 -2.27 0.00 0.00 64.05 61.03 1wov n THR 226 Cb 0.34 1.15 -0.04 0.00 -2.10 0.00 0.00 70.33 69.68 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 3.25 0.78 -5.79 -0.78 2.43 -1.44 -3.44 114.38 109.38 1wov h ARG 227 Ca 0.00 -0.46 -0.67 0.00 -0.81 0.00 0.00 59.98 58.04 1wov h ARG 227 Cb 0.74 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.23 1wov h ARG 227 CO 0.00 1.09 -0.53 -0.65 -1.51 0.00 0.00 179.97 178.36 1wov s GLN 228 N -4.22 3.26 0.34 0.20 -0.21 -1.26 -5.11 119.66 112.67 1wov s GLN 228 Ca -0.12 -0.27 -0.20 0.00 0.02 0.00 0.00 55.36 54.80 1wov s GLN 228 Cb 0.09 -3.03 -0.10 0.00 1.00 0.00 0.00 33.01 30.98 1wov s GLN 228 CO 0.86 0.73 0.84 -0.51 -2.12 0.00 0.00 175.29 175.09 1wov s ASP 229 N -1.16 6.97 0.13 5.90 -0.00 -1.26 -5.10 116.67 122.16 1wov s ASP 229 Ca 0.17 1.54 -0.01 0.00 -0.00 0.00 0.00 52.55 54.25 1wov s ASP 229 Cb -0.12 -2.47 -0.04 0.00 -0.00 0.00 0.00 42.92 40.29 1wov s ASP 229 CO 0.06 -0.20 0.31 -0.13 -0.00 0.00 0.00 175.17 175.21 1wov s ARG 230 N -2.74 3.50 0.50 8.23 0.52 -1.26 -4.93 118.95 122.77 1wov s ARG 230 Ca 0.54 -0.38 -0.23 0.00 -0.52 0.00 0.00 55.73 55.14 1wov s ARG 230 Cb -0.12 -2.93 -0.06 0.00 0.52 0.00 0.00 34.95 32.35 1wov s ARG 230 CO 0.17 0.51 1.34 -2.14 0.02 0.00 0.00 175.30 175.20 1wov s PRO 231 N -2.92 3.42 0.34 3.54 0.02 -1.26 -4.93 135.00 133.20 1wov s PRO 231 Ca 0.37 2.21 -0.26 0.00 0.02 0.00 0.00 61.00 63.33 1wov s PRO 231 Cb -0.12 -2.41 -0.09 0.00 0.02 0.00 0.00 34.50 31.90 1wov s PRO 231 CO 0.28 -0.96 1.03 0.20 -0.33 0.00 0.00 177.00 177.22 1wov s GLY 232 N -0.89 2.86 0.35 0.52 0.00 -1.26 -4.64 107.32 104.25 1wov s GLY 232 Ca 0.67 0.71 0.25 0.00 0.00 0.00 0.00 44.72 46.35 1wov s GLY 232 CO 0.48 1.19 1.72 1.76 0.00 0.00 0.00 173.10 178.25 1wov h SER 233 N 3.07 0.00 -0.58 1.64 0.02 -1.91 -2.84 113.55 112.95 1wov h SER 233 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1wov h SER 233 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1wov h SER 233 CO 0.64 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 176.68 1wov n THR 234 N -2.71 1.07 -1.10 -2.27 -2.24 -1.26 -4.91 114.28 100.87 1wov n THR 234 Ca 0.04 -1.03 -0.17 0.00 -2.27 0.00 0.00 64.05 60.62 1wov n THR 234 Cb 0.44 0.46 0.22 0.00 -2.10 0.00 0.00 70.33 69.36 1wov n THR 234 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wov n GLU 235 N 1.15 2.77 -0.03 -0.78 1.02 -1.07 -5.00 120.64 118.69 1wov n GLU 235 Ca 0.20 -2.96 -0.01 0.00 -0.02 0.00 0.00 57.16 54.37 1wov n GLU 235 Cb 0.57 -2.17 -0.01 0.00 -0.02 0.00 0.00 31.44 29.81 1wov n GLU 235 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wov n GLY 241 N -0.74 -1.10 0.32 0.62 0.00 -1.26 -5.04 105.19 98.00 1wov n GLY 241 Ca 0.52 0.26 -0.05 0.00 0.00 0.00 0.00 46.02 46.74 1wov n GLY 241 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1wov n HIS 242 N -2.78 0.00 -1.85 1.61 1.44 -1.26 -4.95 115.22 107.44 1wov n HIS 242 Ca 0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 1wov n HIS 242 Cb 0.02 -0.28 -0.02 0.00 0.12 0.00 0.00 29.99 29.82 1wov n HIS 242 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 1wov s PRO 243 N -2.29 4.17 -0.39 -1.40 0.04 -1.26 -4.96 135.00 128.91 1wov s PRO 243 Ca -0.17 2.48 -0.11 0.00 0.04 0.00 0.00 61.00 63.25 1wov s PRO 243 Cb 0.02 -3.08 0.04 0.00 0.04 0.00 0.00 34.50 31.52 1wov s PRO 243 CO 0.24 -0.62 0.22 0.42 0.04 0.00 0.00 177.00 177.31 1wov s ILE 244 N 0.55 4.50 -0.02 0.56 1.01 -1.26 -4.87 121.20 121.66 1wov s ILE 244 Ca 0.67 -0.99 -0.06 0.00 0.00 0.00 0.00 60.65 60.27 1wov s ILE 244 Cb -0.46 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1wov s ILE 244 CO 0.39 -0.30 0.22 -0.89 0.00 0.00 0.00 174.94 174.36 1wov s THR 245 N 1.53 5.38 -0.21 2.92 2.01 -1.26 -5.02 115.64 120.98 1wov s THR 245 Ca 0.02 0.09 -0.11 0.00 0.31 0.00 0.00 61.69 62.00 1wov s THR 245 Cb -0.20 -3.53 -0.19 0.00 0.01 0.00 0.00 72.50 68.59 1wov s THR 245 CO 0.06 0.41 0.05 -0.11 -0.69 0.00 0.00 174.62 174.33 1wov n LEU 246 N 1.25 2.31 -3.74 4.42 7.94 -1.26 -4.31 117.00 123.60 1wov n LEU 246 Ca -0.13 0.24 -0.08 0.00 -1.11 0.00 0.00 56.01 54.93 1wov n LEU 246 Cb 0.53 -0.97 -0.02 0.00 0.53 0.00 0.00 43.42 43.49 1wov n LEU 246 CO 0.40 0.63 0.48 0.00 -1.11 0.00 0.00 177.39 177.79 1wov s MET 247 N -2.48 1.59 0.11 1.96 0.23 -1.26 -4.47 119.30 114.99 1wov s MET 247 Ca -0.30 -0.83 0.06 0.00 -1.03 0.00 0.00 55.69 53.59 1wov s MET 247 Cb 0.09 0.58 -0.04 0.00 -1.53 0.00 0.00 34.83 33.93 1wov s MET 247 CO 0.62 -0.72 -0.06 0.54 -2.03 0.00 0.00 175.02 173.37 1wov s VAL 248 N -3.80 3.61 0.00 5.16 0.11 -1.26 -5.01 120.40 119.21 1wov s VAL 248 Ca 0.09 -1.21 0.00 0.00 -2.93 0.00 0.00 61.98 57.93 1wov s VAL 248 Cb -0.04 -2.72 0.00 0.00 -1.53 0.00 0.00 36.38 32.09 1wov s VAL 248 CO 0.02 0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.48 1wov n GLY 249 N 0.54 -0.29 1.20 6.54 0.00 -1.26 -5.18 105.19 106.75 1wov n GLY 249 Ca -0.12 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.65 1wov n GLY 249 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50