#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w4a s ILE 2 N 0.00 5.08 0.03 3.17 -4.36 -1.26 -5.11 121.20 118.75 1w4a s ILE 2 Ca 0.00 -0.73 0.06 0.00 -0.26 0.00 0.00 60.65 59.72 1w4a s ILE 2 Cb 0.00 -3.58 -0.02 0.00 1.25 0.00 0.00 42.46 40.11 1w4a s ILE 2 CO 0.00 -0.04 -0.17 -1.00 0.24 0.00 0.00 174.94 173.97 1w4a s HIS 3 N -1.67 1.52 -0.02 1.37 3.76 -1.26 -4.78 115.29 114.21 1w4a s HIS 3 Ca 0.33 -0.34 -0.01 0.00 -0.15 0.00 0.00 55.06 54.89 1w4a s HIS 3 Cb -0.11 -0.92 -0.04 0.00 1.11 0.00 0.00 32.58 32.62 1w4a s HIS 3 CO 0.27 0.05 0.08 -0.51 -0.85 0.00 0.00 174.74 173.77 1w4a s LEU 4 N -0.99 3.91 0.03 0.89 1.43 -1.26 -5.12 118.68 117.57 1w4a s LEU 4 Ca 0.05 0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 53.29 1w4a s LEU 4 Cb -0.08 -2.20 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 1w4a s LEU 4 CO 0.01 0.30 0.05 -0.31 0.23 0.00 0.00 176.35 176.63 1w4a s TYR 5 N -1.14 0.25 0.39 0.29 2.02 -1.26 -4.97 117.35 112.92 1w4a s TYR 5 Ca 0.21 -0.57 0.04 0.00 -0.37 0.00 0.00 57.07 56.38 1w4a s TYR 5 Cb -0.12 -0.18 -0.03 0.00 -0.40 0.00 0.00 41.96 41.23 1w4a s TYR 5 CO 0.12 -0.33 0.11 0.16 -1.57 0.00 0.00 175.55 174.04 1w4a s ASP 6 N -2.05 2.65 0.28 2.29 1.47 -1.26 -4.96 116.67 115.09 1w4a s ASP 6 Ca -0.06 -1.60 0.03 0.00 1.18 0.00 0.00 52.55 52.09 1w4a s ASP 6 Cb -0.02 0.38 0.65 0.00 -0.34 0.00 0.00 42.92 43.58 1w4a s ASP 6 CO -0.04 -0.86 1.76 0.00 0.68 0.00 0.00 175.17 176.71 1w4a h ALA 7 N 1.87 1.47 0.27 2.11 0.00 -2.01 -1.32 119.26 121.66 1w4a h ALA 7 Ca -0.37 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1w4a h ALA 7 Cb 1.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1w4a h ALA 7 CO 0.60 -0.09 -0.13 0.87 0.00 0.00 0.00 179.25 180.50 1w4a h LYS 8 N 0.67 -0.35 0.00 0.00 1.57 -1.99 -1.94 116.57 114.53 1w4a h LYS 8 Ca 0.53 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 59.28 1w4a h LYS 8 Cb 0.80 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 1w4a h LYS 8 CO -0.39 -0.04 -0.24 0.66 -0.57 0.00 0.00 179.45 178.88 1w4a h SER 9 N -0.68 0.00 -0.39 0.86 4.64 -1.92 -1.71 113.55 114.35 1w4a h SER 9 Ca -0.04 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.13 1w4a h SER 9 Cb 0.47 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1w4a h SER 9 CO 0.06 0.24 -0.37 0.15 -0.87 0.00 0.00 176.83 176.04 1w4a h PHE 10 N 0.00 1.13 -0.67 4.77 3.57 -1.21 -1.81 116.94 122.72 1w4a h PHE 10 Ca -0.00 -0.33 -0.04 0.00 3.53 0.00 0.00 57.97 61.13 1w4a h PHE 10 Cb 0.45 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 1w4a h PHE 10 CO 0.00 1.16 0.27 0.00 -2.23 0.00 0.00 178.31 177.51 1w4a h ALA 11 N 0.79 0.87 -0.67 2.41 0.00 -0.64 -1.96 119.26 120.06 1w4a h ALA 11 Ca 0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1w4a h ALA 11 Cb 0.97 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1w4a h ALA 11 CO 0.09 0.48 0.28 0.87 0.00 0.00 0.00 179.25 180.98 1w4a h LYS 12 N 0.94 0.99 0.11 0.00 1.57 -1.18 -1.68 116.57 117.32 1w4a h LYS 12 Ca 0.22 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1w4a h LYS 12 Cb 0.20 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1w4a h LYS 12 CO -0.02 0.82 -0.09 1.25 -0.57 0.00 0.00 179.45 180.84 1w4a h LEU 13 N 0.94 -0.23 -1.14 2.94 5.85 -1.03 0.35 115.31 122.99 1w4a h LEU 13 Ca 0.23 0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.00 1w4a h LEU 13 Cb 0.18 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 1w4a h LEU 13 CO -0.02 -0.14 0.58 0.03 -0.34 0.00 0.00 178.44 178.55 1w4a h ARG 14 N -0.21 1.08 -0.45 1.25 2.47 -1.21 0.56 114.38 117.88 1w4a h ARG 14 Ca -0.00 -0.07 -0.09 0.00 -1.26 0.00 0.00 59.98 58.56 1w4a h ARG 14 Cb 0.19 -0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 28.25 1w4a h ARG 14 CO -0.01 0.72 -0.09 0.00 0.56 0.00 0.00 179.97 181.14 1w4a h ALA 15 N 1.48 1.00 -0.16 0.04 0.00 -0.92 0.25 119.26 120.95 1w4a h ALA 15 Ca 0.35 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1w4a h ALA 15 Cb 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1w4a h ALA 15 CO -0.10 0.60 -0.32 0.00 0.00 0.00 0.00 179.25 179.42 1w4a h ALA 16 N 1.17 0.26 -0.82 0.00 0.00 0.67 -2.19 119.26 118.35 1w4a h ALA 16 Ca 0.13 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1w4a h ALA 16 Cb 0.57 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1w4a h ALA 16 CO 0.04 0.30 0.43 1.96 0.00 0.00 0.00 179.25 181.97 1w4a h GLN 17 N 0.14 1.16 -0.91 0.00 4.20 0.19 -1.11 115.11 118.77 1w4a h GLN 17 Ca 0.01 -0.15 0.04 0.00 0.06 0.00 0.00 58.65 58.61 1w4a h GLN 17 Cb 0.92 -0.22 -0.06 0.00 0.30 0.00 0.00 27.48 28.42 1w4a h GLN 17 CO 0.07 0.87 0.59 -0.92 -0.67 0.00 0.00 178.83 178.77 1w4a h TYR 18 N 1.15 1.10 -0.04 2.96 5.03 -0.88 -2.48 116.97 123.82 1w4a h TYR 18 Ca 0.29 0.03 -0.17 0.00 2.58 0.00 0.00 58.73 61.45 1w4a h TYR 18 Cb 0.07 -0.36 -0.01 0.00 1.55 0.00 0.00 36.73 37.97 1w4a h TYR 18 CO 0.01 0.62 -0.74 0.00 -1.32 0.00 0.00 178.16 176.73 1w4a h ALA 19 N 1.39 0.68 -0.27 1.82 0.00 -0.85 -1.27 119.26 120.75 1w4a h ALA 19 Ca 0.37 -0.63 0.08 0.00 0.00 0.00 0.00 54.91 54.73 1w4a h ALA 19 Cb 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1w4a h ALA 19 CO -0.13 0.82 0.29 0.00 0.00 0.00 0.00 179.25 180.22 1w4a h ALA 20 N 1.07 1.95 0.00 0.00 0.00 -0.74 -0.19 119.26 121.36 1w4a h ALA 20 Ca -0.02 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.57 1w4a h ALA 20 Cb 1.30 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 1w4a h ALA 20 CO 0.11 -0.43 -1.97 0.34 0.00 0.00 0.00 179.25 177.30 1w4a n PHE 21 N -3.82 0.00 0.05 0.00 7.35 -1.13 -1.79 117.46 118.12 1w4a n PHE 21 Ca 0.04 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.60 1w4a n PHE 21 Cb 0.43 -0.73 -0.03 0.00 0.35 0.00 0.00 39.48 39.51 1w4a n PHE 21 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1w4a h HIS 22 N -0.81 0.68 0.00 -5.13 3.86 -1.20 -3.41 115.15 109.14 1w4a h HIS 22 Ca -0.46 -0.33 0.00 0.00 -1.16 0.00 0.00 60.37 58.42 1w4a h HIS 22 Cb 1.36 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.74 1w4a h HIS 22 CO -0.13 1.13 -0.97 0.25 0.86 0.00 0.00 177.93 179.07 1w4a n THR 23 N -3.81 0.00 -1.43 2.45 -2.24 -0.79 -5.05 114.28 103.41 1w4a n THR 23 Ca -0.06 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.37 1w4a n THR 23 Cb 0.78 0.23 0.10 0.00 -2.10 0.00 0.00 70.33 69.34 1w4a n THR 23 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1w4a s ASP 24 N -2.12 4.09 0.11 3.42 1.11 -0.15 -4.91 116.67 118.21 1w4a s ASP 24 Ca 0.00 2.51 -0.31 0.00 0.18 0.00 0.00 52.55 54.93 1w4a s ASP 24 Cb 0.00 -2.60 -0.08 0.00 1.07 0.00 0.00 42.92 41.31 1w4a s ASP 24 CO 0.00 -2.34 1.36 0.00 1.18 0.00 0.00 175.17 175.36 1w4a s ALA 25 N -1.75 3.56 0.09 5.23 0.00 -1.26 -4.91 121.76 122.72 1w4a s ALA 25 Ca 0.78 1.07 -0.36 0.00 0.00 0.00 0.00 51.96 53.45 1w4a s ALA 25 Cb -0.33 -3.52 -0.17 0.00 0.00 0.00 0.00 23.12 19.09 1w4a s ALA 25 CO 0.45 -0.58 1.20 -2.30 0.00 0.00 0.00 175.76 174.52 1w4a n PRO 26 N 3.95 0.82 -0.87 0.00 -0.02 -1.26 -1.00 135.00 136.62 1w4a n PRO 26 Ca 0.11 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1w4a n PRO 26 Cb 0.43 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1w4a n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1w4a n GLY 27 N 2.13 0.87 0.22 -1.23 0.00 -0.32 -4.82 105.19 102.05 1w4a n GLY 27 Ca 0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 1w4a n GLY 27 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1w4a h SER 28 N 0.00 0.00 -0.33 1.61 4.64 -1.28 -2.86 113.55 115.33 1w4a h SER 28 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1w4a h SER 28 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1w4a h SER 28 CO 0.00 0.22 -0.43 -0.25 -0.87 0.00 0.00 176.83 175.49 1w4a h TRP 29 N 0.00 1.09 -0.40 4.77 2.91 -1.83 -1.58 115.95 120.91 1w4a h TRP 29 Ca -0.00 -0.34 0.02 0.00 1.13 0.00 0.00 58.89 59.69 1w4a h TRP 29 Cb 0.42 -0.22 -0.03 0.00 -0.51 0.00 0.00 29.16 28.82 1w4a h TRP 29 CO 0.00 1.17 0.23 0.35 -1.03 0.00 0.00 178.44 179.16 1w4a h PHE 30 N 0.72 0.43 -0.84 2.65 3.57 -1.63 0.39 116.94 122.22 1w4a h PHE 30 Ca 0.05 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1w4a h PHE 30 Cb 1.03 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.59 1w4a h PHE 30 CO 0.06 0.25 0.50 -0.44 -2.23 0.00 0.00 178.31 176.45 1w4a h ASP 31 N 0.47 1.02 -0.50 0.41 3.45 -1.36 0.59 116.42 120.49 1w4a h ASP 31 Ca 0.16 -0.07 -0.02 0.00 0.43 0.00 0.00 57.03 57.53 1w4a h ASP 31 Cb 0.01 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.50 1w4a h ASP 31 CO -0.08 0.79 0.24 -0.74 -1.57 0.00 0.00 179.24 177.89 1w4a h HIS 32 N 1.16 0.72 0.00 4.55 2.76 -0.65 -2.34 115.15 121.35 1w4a h HIS 32 Ca 0.30 -0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.33 1w4a h HIS 32 Cb -0.03 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 28.69 1w4a h HIS 32 CO -0.00 0.57 -0.50 1.79 -1.30 0.00 0.00 177.93 178.48 1w4a h THR 33 N 0.67 1.06 -0.81 6.26 1.35 -0.46 -2.43 112.91 118.54 1w4a h THR 33 Ca 0.17 -1.94 -0.03 0.00 -0.55 0.00 0.00 66.41 64.07 1w4a h THR 33 Cb 0.11 2.15 -0.04 0.00 -1.73 0.00 0.00 68.15 68.64 1w4a h THR 33 CO -0.02 0.49 0.41 0.28 -0.25 0.00 0.00 175.52 176.43 1w4a h SER 34 N 0.00 1.05 -0.78 5.36 0.02 -0.65 -0.79 113.55 117.76 1w4a h SER 34 Ca -0.01 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 60.77 1w4a h SER 34 Cb 1.11 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.34 1w4a h SER 34 CO 0.07 0.88 0.30 1.23 -1.14 0.00 0.00 176.83 178.17 1w4a h GLY 35 N 1.15 1.27 0.98 -3.77 0.00 -1.07 -0.89 103.07 100.75 1w4a h GLY 35 Ca 0.28 -0.71 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 1w4a h GLY 35 CO -0.04 0.66 0.07 -2.08 0.00 0.00 0.00 176.54 175.16 1w4a h VAL 36 N 1.15 1.25 -0.36 4.60 2.07 -0.97 -2.76 116.25 121.23 1w4a h VAL 36 Ca 0.26 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.81 1w4a h VAL 36 Cb 0.24 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1w4a h VAL 36 CO -0.02 0.34 0.12 -0.07 0.02 0.00 0.00 177.57 177.95 1w4a h LEU 37 N 0.69 0.52 -0.32 2.57 3.38 -0.88 -2.79 115.31 118.48 1w4a h LEU 37 Ca 0.15 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1w4a h LEU 37 Cb 0.41 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1w4a h LEU 37 CO 0.01 0.58 0.00 -1.84 0.09 0.00 0.00 178.44 177.28 1w4a n GLU 38 N -4.64 0.07 -0.09 1.13 0.28 -0.36 -1.67 120.64 115.36 1w4a n GLU 38 Ca -0.01 0.36 0.11 0.00 -0.16 0.00 0.00 57.16 57.46 1w4a n GLU 38 Cb 0.17 -1.65 0.33 0.00 1.43 0.00 0.00 31.44 31.71 1w4a n GLU 38 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1w4a n SER 39 N -1.79 2.23 -4.78 -1.84 3.41 -1.05 -4.91 113.62 104.88 1w4a n SER 39 Ca 0.02 -1.79 -0.38 0.00 -0.26 0.00 0.00 58.87 56.47 1w4a n SER 39 Cb 0.16 -0.12 -0.06 0.00 -0.26 0.00 0.00 64.21 63.93 1w4a n SER 39 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1w4a s VAL 40 N -1.76 4.29 0.34 -3.33 1.01 -0.67 -5.00 120.40 115.28 1w4a s VAL 40 Ca 0.34 1.73 -0.28 0.00 0.00 0.00 0.00 61.98 63.78 1w4a s VAL 40 Cb 0.19 -4.05 -0.12 0.00 0.00 0.00 0.00 36.38 32.40 1w4a s VAL 40 CO 0.29 0.27 1.24 -0.62 0.00 0.00 0.00 175.10 176.28 1w4a n GLU 41 N 0.90 1.98 -1.76 2.72 1.02 -1.26 -4.89 120.64 119.35 1w4a n GLU 41 Ca -0.01 0.69 -0.39 0.00 -0.02 0.00 0.00 57.16 57.43 1w4a n GLU 41 Cb 0.50 -2.25 0.03 0.00 -0.02 0.00 0.00 31.44 29.70 1w4a n GLU 41 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1w4a n ASP 42 N 0.81 3.12 0.00 1.62 8.00 -1.26 -1.70 116.55 127.14 1w4a n ASP 42 Ca 0.06 1.07 0.00 0.00 0.71 0.00 0.00 54.79 56.63 1w4a n ASP 42 Cb 0.36 -1.60 0.00 0.00 -0.02 0.00 0.00 41.12 39.86 1w4a n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1w4a n GLY 43 N 0.64 0.91 3.72 0.44 0.00 -1.26 -4.99 105.19 104.65 1w4a n GLY 43 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1w4a n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1w4a s THR 44 N -3.12 4.55 0.14 2.61 2.01 -0.69 -4.95 115.64 116.21 1w4a s THR 44 Ca 0.00 1.98 -0.31 0.00 0.31 0.00 0.00 61.69 63.66 1w4a s THR 44 Cb 0.00 -4.27 -0.10 0.00 0.01 0.00 0.00 72.50 68.15 1w4a s THR 44 CO 0.00 0.23 1.61 -2.84 -0.69 0.00 0.00 174.62 172.94 1w4a s PRO 45 N 0.46 4.20 0.00 4.92 0.02 -1.26 -4.15 135.00 139.19 1w4a s PRO 45 Ca 0.50 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.90 1w4a s PRO 45 Cb -0.23 -3.28 0.00 0.00 0.02 0.00 0.00 34.50 31.01 1w4a s PRO 45 CO 0.29 -0.66 0.00 1.33 -0.33 0.00 0.00 177.00 177.64 1w4a n VAL 46 N 4.19 0.00 -3.74 3.83 0.24 -0.30 -4.63 118.33 117.92 1w4a n VAL 46 Ca 0.15 -0.02 -0.12 0.00 -2.04 0.00 0.00 64.34 62.30 1w4a n VAL 46 Cb 0.39 0.46 -0.12 0.00 -1.47 0.00 0.00 33.84 33.10 1w4a n VAL 46 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1w4a s LEU 47 N -2.53 0.48 -0.08 1.34 2.96 -1.13 -0.39 118.68 119.33 1w4a s LEU 47 Ca 0.00 0.64 0.02 0.00 -0.22 0.00 0.00 54.13 54.58 1w4a s LEU 47 Cb 0.00 1.00 0.01 0.00 0.50 0.00 0.00 46.19 47.70 1w4a s LEU 47 CO 0.00 -0.15 -0.14 0.00 -1.32 0.00 0.00 176.35 174.74 1w4a s ALA 48 N 0.82 1.45 -0.01 5.97 0.00 -0.56 -1.10 121.76 128.33 1w4a s ALA 48 Ca -0.05 -0.54 0.03 0.00 0.00 0.00 0.00 51.96 51.40 1w4a s ALA 48 Cb -0.06 -0.65 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 1w4a s ALA 48 CO -0.06 0.09 -0.11 -1.50 0.00 0.00 0.00 175.76 174.18 1w4a s ILE 49 N 0.71 0.90 0.10 0.00 2.07 -0.67 0.14 121.20 124.44 1w4a s ILE 49 Ca -0.13 -0.47 -0.30 0.00 -1.41 0.00 0.00 60.65 58.33 1w4a s ILE 49 Cb -0.16 -0.76 -0.06 0.00 0.13 0.00 0.00 42.46 41.61 1w4a s ILE 49 CO 0.03 0.26 1.18 -0.83 -1.91 0.00 0.00 174.94 173.67 1w4a s GLY 50 N -0.19 2.54 0.79 1.50 0.00 -1.26 -1.34 107.32 109.36 1w4a s GLY 50 Ca 0.03 0.85 -0.06 0.00 0.00 0.00 0.00 44.72 45.54 1w4a s GLY 50 CO -0.00 1.93 1.09 -1.34 0.00 0.00 0.00 173.10 174.78 1w4a s VAL 51 N 0.65 2.12 0.27 1.40 -7.23 0.76 -4.79 120.40 113.57 1w4a s VAL 51 Ca 0.56 -0.38 -0.07 0.00 -1.81 0.00 0.00 61.98 60.28 1w4a s VAL 51 Cb -0.30 -2.74 0.37 0.00 0.56 0.00 0.00 36.38 34.27 1w4a s VAL 51 CO 0.31 0.00 1.59 -0.08 -0.31 0.00 0.00 175.10 176.62 1w4a h GLU 52 N -0.85 0.02 0.00 4.82 4.81 -1.89 -0.87 114.58 120.62 1w4a h GLU 52 Ca -0.40 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.81 1w4a h GLU 52 Cb 1.26 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 1w4a h GLU 52 CO 0.42 0.02 -0.12 0.66 -0.73 0.00 0.00 179.01 179.25 1w4a h SER 53 N 0.03 0.00 0.00 1.04 4.64 -1.95 -1.84 113.55 115.47 1w4a h SER 53 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1w4a h SER 53 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1w4a h SER 53 CO -0.85 0.12 0.00 0.61 -0.87 0.00 0.00 176.83 175.84 1w4a n GLY 54 N -0.94 1.95 3.66 -0.77 0.00 -0.33 -4.72 105.19 104.04 1w4a n GLY 54 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1w4a n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1w4a s ASP 55 N -1.95 2.43 0.09 1.61 -0.00 -1.26 -4.71 116.67 112.87 1w4a s ASP 55 Ca 0.00 1.17 0.08 0.00 -0.00 0.00 0.00 52.55 53.80 1w4a s ASP 55 Cb 0.00 -1.84 -0.03 0.00 -0.00 0.00 0.00 42.92 41.05 1w4a s ASP 55 CO 0.00 -3.25 -0.21 0.00 -0.00 0.00 0.00 175.17 171.70 1w4a s ALA 56 N -2.95 1.84 0.13 5.23 0.00 -1.26 -0.17 121.76 124.58 1w4a s ALA 56 Ca 0.66 -1.21 0.08 0.00 0.00 0.00 0.00 51.96 51.49 1w4a s ALA 56 Cb -0.19 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 1w4a s ALA 56 CO 0.58 0.39 -0.10 0.96 0.00 0.00 0.00 175.76 177.58 1w4a s ILE 57 N -1.04 3.29 -0.00 0.00 -4.36 -0.45 -2.27 121.20 116.36 1w4a s ILE 57 Ca 0.07 -1.39 0.08 0.00 -0.26 0.00 0.00 60.65 59.15 1w4a s ILE 57 Cb -0.10 -2.56 -0.02 0.00 1.25 0.00 0.00 42.46 41.03 1w4a s ILE 57 CO 0.04 0.05 -0.26 -0.69 0.24 0.00 0.00 174.94 174.31 1w4a s VAL 58 N -1.34 2.09 0.19 8.37 1.01 -1.26 -1.67 120.40 127.79 1w4a s VAL 58 Ca 0.22 -1.17 0.09 0.00 0.00 0.00 0.00 61.98 61.11 1w4a s VAL 58 Cb -0.10 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1w4a s VAL 58 CO 0.14 0.53 -0.17 -0.36 0.00 0.00 0.00 175.10 175.24 1w4a s PHE 59 N -0.66 1.84 0.32 5.22 0.40 -0.26 -0.40 117.98 124.44 1w4a s PHE 59 Ca 0.10 -0.49 0.05 0.00 -0.60 0.00 0.00 56.93 56.00 1w4a s PHE 59 Cb -0.10 -0.88 0.05 0.00 0.51 0.00 0.00 43.02 42.61 1w4a s PHE 59 CO -0.00 0.39 0.44 -0.40 0.70 0.00 0.00 175.22 176.35 1w4a n ASP 60 N -0.08 1.14 0.06 1.36 5.68 -0.28 -1.14 116.55 123.29 1w4a n ASP 60 Ca -0.10 -1.83 0.06 0.00 -0.50 0.00 0.00 54.79 52.42 1w4a n ASP 60 Cb 0.59 -0.23 0.30 0.00 -1.14 0.00 0.00 41.12 40.64 1w4a n ASP 60 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1w4a n LYS 61 N -1.69 0.07 -0.51 0.11 2.85 -1.26 -1.77 118.16 115.95 1w4a n LYS 61 Ca 0.09 0.46 0.08 0.00 -1.05 0.00 0.00 58.31 57.89 1w4a n LYS 61 Cb 0.33 -1.67 0.29 0.00 -0.65 0.00 0.00 35.03 33.33 1w4a n LYS 61 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1w4a n ASN 62 N -1.81 4.27 -1.43 -5.58 5.03 -1.26 -4.93 115.26 109.54 1w4a n ASN 62 Ca 0.01 -2.60 -0.15 0.00 0.87 0.00 0.00 54.58 52.72 1w4a n ASN 62 Cb 0.09 -0.51 -0.03 0.00 -1.02 0.00 0.00 39.78 38.30 1w4a n ASN 62 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1w4a n ALA 63 N 0.44 -0.34 -2.83 5.41 0.00 -0.73 -5.00 120.51 117.46 1w4a n ALA 63 Ca 0.22 0.17 -0.37 0.00 0.00 0.00 0.00 53.44 53.46 1w4a n ALA 63 Cb 0.84 -1.65 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 1w4a n ALA 63 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1w4a s GLN 64 N -4.08 3.64 0.25 0.00 -1.52 -1.26 -4.86 119.66 111.83 1w4a s GLN 64 Ca 0.00 -0.13 -0.30 0.00 -1.95 0.00 0.00 55.36 52.98 1w4a s GLN 64 Cb 0.00 -3.25 -0.09 0.00 -0.22 0.00 0.00 33.01 29.45 1w4a s GLN 64 CO 0.00 0.66 1.25 1.03 -0.25 0.00 0.00 175.29 177.97 1w4a s ARG 65 N -0.68 4.45 -0.24 2.91 0.52 -1.26 -1.12 118.95 123.53 1w4a s ARG 65 Ca 0.14 2.01 -0.11 0.00 -0.52 0.00 0.00 55.73 57.25 1w4a s ARG 65 Cb -0.12 -3.17 -0.05 0.00 0.52 0.00 0.00 34.95 32.13 1w4a s ARG 65 CO 0.03 -0.11 0.17 0.42 0.02 0.00 0.00 175.30 175.82 1w4a s ILE 66 N -0.48 5.35 -0.18 1.52 1.01 0.47 -4.91 121.20 123.98 1w4a s ILE 66 Ca 0.52 0.21 0.18 0.00 0.00 0.00 0.00 60.65 61.55 1w4a s ILE 66 Cb -0.36 -3.51 -0.25 0.00 0.01 0.00 0.00 42.46 38.35 1w4a s ILE 66 CO 0.42 0.34 0.15 1.33 0.00 0.00 0.00 174.94 177.18 1w4a n VAL 67 N 4.26 1.33 -3.76 2.92 0.24 -1.26 -4.51 118.33 117.54 1w4a n VAL 67 Ca -0.15 -0.83 -0.14 0.00 -2.04 0.00 0.00 64.34 61.18 1w4a n VAL 67 Cb 0.52 -0.48 -0.15 0.00 -1.47 0.00 0.00 33.84 32.25 1w4a n VAL 67 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1w4a s ALA 68 N -2.56 -0.09 -0.27 2.33 0.00 -1.26 -0.61 121.76 119.30 1w4a s ALA 68 Ca -0.09 0.47 -0.03 0.00 0.00 0.00 0.00 51.96 52.31 1w4a s ALA 68 Cb 0.07 -0.33 0.16 0.00 0.00 0.00 0.00 23.12 23.01 1w4a s ALA 68 CO 0.83 -0.13 0.51 -0.47 0.00 0.00 0.00 175.76 176.51 1w4a s TYR 69 N 1.06 -1.25 0.39 0.00 6.14 0.68 -4.90 117.35 119.47 1w4a s TYR 69 Ca -0.08 1.46 -0.26 0.00 0.64 0.00 0.00 57.07 58.83 1w4a s TYR 69 Cb -0.12 0.38 -0.09 0.00 0.42 0.00 0.00 41.96 42.56 1w4a s TYR 69 CO -0.04 -0.77 1.20 0.15 0.64 0.00 0.00 175.55 176.72 1w4a s LYS 70 N 2.74 4.10 0.09 4.97 1.02 -1.26 0.03 119.74 131.42 1w4a s LYS 70 Ca 0.14 1.91 -0.17 0.00 0.02 0.00 0.00 55.97 57.87 1w4a s LYS 70 Cb -0.15 -2.75 -0.10 0.00 -0.52 0.00 0.00 37.83 34.32 1w4a s LYS 70 CO -0.18 -0.30 0.36 -1.91 -0.92 0.00 0.00 175.35 172.39 1w4a n GLU 71 N 0.20 0.00 -3.33 1.68 2.13 -1.25 -4.77 120.64 115.31 1w4a n GLU 71 Ca 0.04 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.88 1w4a n GLU 71 Cb 0.46 -0.62 -0.02 0.00 0.27 0.00 0.00 31.44 31.52 1w4a n GLU 71 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1w4a s LYS 72 N -0.44 0.57 0.29 5.31 2.36 -0.60 -4.98 119.74 122.25 1w4a s LYS 72 Ca 0.39 1.15 0.03 0.00 -2.55 0.00 0.00 55.97 55.00 1w4a s LYS 72 Cb -0.56 0.65 -0.03 0.00 -1.05 0.00 0.00 37.83 36.84 1w4a s LYS 72 CO 0.32 -0.48 0.45 -1.12 1.55 0.00 0.00 175.35 176.07 1w4a s SER 73 N 2.87 6.28 -0.10 1.43 0.01 -1.26 -2.05 113.70 120.88 1w4a s SER 73 Ca 0.12 0.22 -0.05 0.00 1.31 0.00 0.00 55.95 57.54 1w4a s SER 73 Cb -0.14 -1.89 0.04 0.00 0.21 0.00 0.00 66.02 64.24 1w4a s SER 73 CO -0.20 -0.19 0.22 -0.69 0.41 0.00 0.00 173.24 172.79 1w4a s VAL 74 N -2.14 -0.04 -0.17 3.43 1.01 0.91 -4.98 120.40 118.43 1w4a s VAL 74 Ca 0.37 0.15 -0.17 0.00 0.00 0.00 0.00 61.98 62.32 1w4a s VAL 74 Cb -0.09 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 1w4a s VAL 74 CO 0.32 0.06 0.46 -0.75 0.00 0.00 0.00 175.10 175.19 1w4a s LYS 75 N 1.18 4.24 0.71 2.72 2.47 -1.26 -0.20 119.74 129.59 1w4a s LYS 75 Ca -0.09 0.36 -0.05 0.00 -1.56 0.00 0.00 55.97 54.63 1w4a s LYS 75 Cb -0.10 -3.51 0.15 0.00 -1.46 0.00 0.00 37.83 32.91 1w4a s LYS 75 CO -0.08 -0.00 0.97 0.00 0.16 0.00 0.00 175.35 176.40 1w4a n ALA 76 N 4.29 -0.35 -0.14 3.13 0.00 0.19 -4.97 120.51 122.66 1w4a n ALA 76 Ca -0.07 -1.63 -0.09 0.00 0.00 0.00 0.00 53.44 51.66 1w4a n ALA 76 Cb 0.51 0.16 -0.00 0.00 0.00 0.00 0.00 19.45 20.11 1w4a n ALA 76 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1w4a h GLU 77 N 0.00 0.60 0.00 0.00 4.81 -1.98 -2.54 114.58 115.47 1w4a h GLU 77 Ca -0.32 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1w4a h GLU 77 Cb 1.05 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1w4a h GLU 77 CO 0.29 0.54 0.00 -0.40 -0.73 0.00 0.00 179.01 178.71 1w4a n ASP 78 N -4.66 0.00 0.00 1.04 3.85 -1.26 -4.79 116.55 110.72 1w4a n ASP 78 Ca 0.00 -1.47 0.00 0.00 -0.71 0.00 0.00 54.79 52.62 1w4a n ASP 78 Cb 0.12 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.89 1w4a n ASP 78 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1w4a n GLY 79 N 0.28 0.89 3.81 6.12 0.00 -0.96 -5.02 105.19 110.33 1w4a n GLY 79 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1w4a n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1w4a s SER 80 N -3.01 6.10 -0.11 1.61 1.04 -1.26 -4.74 113.70 113.33 1w4a s SER 80 Ca 0.00 1.76 0.03 0.00 0.48 0.00 0.00 55.95 58.23 1w4a s SER 80 Cb 0.00 -2.53 -0.00 0.00 0.10 0.00 0.00 66.02 63.59 1w4a s SER 80 CO 0.00 -0.95 -0.22 -0.69 0.98 0.00 0.00 173.24 172.36 1w4a s VAL 81 N -2.43 2.22 -0.15 5.02 1.01 -1.26 0.57 120.40 125.38 1w4a s VAL 81 Ca 0.63 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.60 1w4a s VAL 81 Cb -0.14 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1w4a s VAL 81 CO 0.33 0.55 0.03 -0.55 0.00 0.00 0.00 175.10 175.46 1w4a s SER 82 N 0.39 5.37 -0.05 3.32 0.15 0.72 -4.93 113.70 118.66 1w4a s SER 82 Ca -0.17 0.07 0.03 0.00 0.70 0.00 0.00 55.95 56.58 1w4a s SER 82 Cb -0.17 -1.80 0.00 0.00 -1.71 0.00 0.00 66.02 62.34 1w4a s SER 82 CO 0.08 0.24 -0.14 -0.69 1.20 0.00 0.00 173.24 173.93 1w4a s VAL 83 N -0.04 1.20 -0.03 4.45 1.01 -1.26 -0.06 120.40 125.67 1w4a s VAL 83 Ca 0.05 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.51 1w4a s VAL 83 Cb -0.12 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 1w4a s VAL 83 CO 0.02 0.36 -0.18 -0.69 0.00 0.00 0.00 175.10 174.61 1w4a s VAL 84 N 0.30 1.43 -0.19 2.92 1.01 -0.87 -2.46 120.40 122.53 1w4a s VAL 84 Ca -0.08 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.03 1w4a s VAL 84 Cb -0.12 -1.21 0.06 0.00 0.00 0.00 0.00 36.38 35.11 1w4a s VAL 84 CO 0.02 0.41 0.49 -1.58 0.00 0.00 0.00 175.10 174.44 1w4a s GLN 85 N -0.19 0.51 -0.10 2.72 0.74 -0.58 -1.55 119.66 121.21 1w4a s GLN 85 Ca 0.02 0.83 0.02 0.00 0.05 0.00 0.00 55.36 56.28 1w4a s GLN 85 Cb -0.09 0.11 0.01 0.00 1.10 0.00 0.00 33.01 34.14 1w4a s GLN 85 CO 0.01 -0.13 -0.15 0.08 -0.55 0.00 0.00 175.29 174.55 1w4a s VAL 86 N 1.06 1.44 -0.01 1.34 1.01 0.10 0.08 120.40 125.43 1w4a s VAL 86 Ca -0.06 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.33 1w4a s VAL 86 Cb -0.06 -1.31 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 1w4a s VAL 86 CO -0.10 0.43 -0.10 -0.70 0.00 0.00 0.00 175.10 174.63 1w4a s GLU 87 N 0.89 0.84 -1.75 2.72 2.12 -0.58 -0.23 118.70 122.71 1w4a s GLU 87 Ca -0.09 -0.39 -0.17 0.00 0.36 0.00 0.00 54.97 54.68 1w4a s GLU 87 Cb -0.15 -0.81 0.17 0.00 0.26 0.00 0.00 34.13 33.59 1w4a s GLU 87 CO 0.00 0.22 0.56 0.09 -0.54 0.00 0.00 175.26 175.59 1w4a n ASN 88 N 2.78 -1.79 0.00 -1.70 4.13 -1.07 -0.34 115.26 117.26 1w4a n ASN 88 Ca -0.14 -1.17 0.00 0.00 1.68 0.00 0.00 54.58 54.96 1w4a n ASN 88 Cb 0.56 -2.05 0.00 0.00 -1.54 0.00 0.00 39.78 36.76 1w4a n ASN 88 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1w4a n GLY 89 N -1.44 1.83 3.18 7.41 0.00 0.22 -5.01 105.19 111.38 1w4a n GLY 89 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1w4a n GLY 89 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1w4a s PHE 90 N -3.42 1.57 -0.02 1.61 0.40 0.54 -4.61 117.98 114.04 1w4a s PHE 90 Ca 0.00 -0.33 -0.32 0.00 -0.60 0.00 0.00 56.93 55.68 1w4a s PHE 90 Cb 0.00 -0.97 -0.11 0.00 0.51 0.00 0.00 43.02 42.45 1w4a s PHE 90 CO 0.00 0.02 1.91 -0.12 0.70 0.00 0.00 175.22 177.73 1w4a n MET 91 N 2.28 2.48 -0.05 0.44 0.00 -0.96 -1.52 117.12 119.78 1w4a n MET 91 Ca -0.16 0.91 -0.10 0.00 -0.00 0.00 0.00 57.70 58.35 1w4a n MET 91 Cb 0.54 -2.80 -0.15 0.00 0.00 0.00 0.00 33.22 30.82 1w4a n MET 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1w4a n LYS 92 N 6.85 0.66 -3.82 2.12 3.00 0.11 -4.77 118.16 122.30 1w4a n LYS 92 Ca 0.21 0.18 -0.12 0.00 -0.00 0.00 0.00 58.31 58.58 1w4a n LYS 92 Cb 0.34 -1.69 -0.11 0.00 0.00 0.00 0.00 35.03 33.58 1w4a n LYS 92 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1w4a s GLN 93 N -2.56 0.37 0.00 1.64 -0.21 -0.83 -4.94 119.66 113.14 1w4a s GLN 93 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 55.36 55.31 1w4a s GLN 93 Cb 0.07 0.17 0.00 0.00 1.00 0.00 0.00 33.01 34.25 1w4a s GLN 93 CO 0.82 -0.08 0.00 0.41 -2.12 0.00 0.00 175.29 174.33 1w4a n GLY 94 N 2.26 0.87 3.20 3.09 0.00 -1.03 -1.53 105.19 112.05 1w4a n GLY 94 Ca -0.17 -1.97 -0.12 0.00 0.00 0.00 0.00 46.02 43.76 1w4a n GLY 94 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1w4a s HIS 95 N -1.99 1.08 0.45 1.61 -3.43 -1.26 -5.04 115.29 106.71 1w4a s HIS 95 Ca 0.00 -1.20 -0.21 0.00 -0.80 0.00 0.00 55.06 52.86 1w4a s HIS 95 Cb 0.00 -0.60 -0.10 0.00 -1.43 0.00 0.00 32.58 30.45 1w4a s HIS 95 CO 0.00 -0.44 0.97 1.03 -2.00 0.00 0.00 174.74 174.31 1w4a s ARG 96 N -4.03 4.11 0.00 -0.38 0.52 -1.26 -4.62 118.95 113.29 1w4a s ARG 96 Ca 0.28 1.19 0.00 0.00 -0.52 0.00 0.00 55.73 56.68 1w4a s ARG 96 Cb 0.07 -2.16 0.00 0.00 0.52 0.00 0.00 34.95 33.39 1w4a s ARG 96 CO 0.05 -0.15 0.00 0.41 0.02 0.00 0.00 175.30 175.64 1w4a n GLY 97 N -0.54 -0.88 3.71 -3.53 0.00 0.12 -4.93 105.19 99.15 1w4a n GLY 97 Ca 0.08 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 1w4a n GLY 97 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1w4a s TRP 98 N 0.00 3.18 -2.52 1.61 0.52 -1.26 -1.49 118.94 118.98 1w4a s TRP 98 Ca 0.00 0.86 0.23 0.00 0.02 0.00 0.00 56.10 57.22 1w4a s TRP 98 Cb 0.00 -3.74 0.60 0.00 -1.15 0.00 0.00 33.47 29.17 1w4a s TRP 98 CO 0.00 -2.65 1.48 1.28 0.02 0.00 0.00 176.95 177.09 1w4a n LEU 99 N 4.03 2.43 -4.16 2.99 4.77 0.47 -4.86 117.00 122.67 1w4a n LEU 99 Ca 0.12 -0.95 -0.16 0.00 -0.03 0.00 0.00 56.01 54.99 1w4a n LEU 99 Cb 0.41 -0.11 -0.11 0.00 -2.33 0.00 0.00 43.42 41.28 1w4a n LEU 99 CO 0.59 0.48 -0.43 0.68 -1.33 0.00 0.00 177.39 177.38 1w4a s VAL 100 N -1.78 0.97 -0.33 4.08 -7.23 -1.25 -4.87 120.40 109.98 1w4a s VAL 100 Ca 0.34 -1.40 -0.29 0.00 -1.81 0.00 0.00 61.98 58.83 1w4a s VAL 100 Cb 0.20 -1.11 0.01 0.00 0.56 0.00 0.00 36.38 36.04 1w4a s VAL 100 CO 0.30 -0.37 1.26 -0.62 -0.31 0.00 0.00 175.10 175.36 1w4a s ASP 101 N -1.98 6.68 -0.03 4.85 2.15 -1.26 -4.85 116.67 122.23 1w4a s ASP 101 Ca -0.00 1.09 0.19 0.00 0.43 0.00 0.00 52.55 54.25 1w4a s ASP 101 Cb -0.07 -2.54 -0.29 0.00 -0.30 0.00 0.00 42.92 39.72 1w4a s ASP 101 CO 0.01 -1.09 0.39 0.18 -0.17 0.00 0.00 175.17 174.49 1w4a n LEU 102 N 7.62 0.00 -0.11 -1.34 4.77 -1.26 -4.72 117.00 121.96 1w4a n LEU 102 Ca 0.14 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.93 1w4a n LEU 102 Cb 0.47 0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.49 1w4a n LEU 102 CO 0.64 0.03 -1.25 0.35 -1.33 0.00 0.00 177.39 175.82 1w4a n THR 103 N -2.18 1.27 -2.03 -5.08 -2.24 -1.26 -4.87 114.28 97.89 1w4a n THR 103 Ca -0.05 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1w4a n THR 103 Cb 0.52 -1.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 1w4a n THR 103 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w4a n GLY 104 N 2.09 0.84 0.11 3.38 0.00 -1.26 -2.79 105.19 107.55 1w4a n GLY 104 Ca -0.42 -0.71 0.13 0.00 0.00 0.00 0.00 46.02 45.02 1w4a n GLY 104 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1w4a n GLU 105 N 12.36 0.24 -2.81 1.61 1.02 -1.26 -4.43 120.64 127.37 1w4a n GLU 105 Ca 0.00 0.25 -0.44 0.00 -0.02 0.00 0.00 57.16 56.95 1w4a n GLU 105 Cb 0.00 -1.81 -0.00 0.00 -0.02 0.00 0.00 31.44 29.61 1w4a n GLU 105 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1w4a s LEU 106 N -4.47 4.59 0.37 -4.62 2.96 -1.12 -4.97 118.68 111.42 1w4a s LEU 106 Ca 0.10 -2.73 0.08 0.00 -0.22 0.00 0.00 54.13 51.36 1w4a s LEU 106 Cb 0.12 -2.47 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 1w4a s LEU 106 CO 0.56 -0.93 0.17 0.68 -1.32 0.00 0.00 176.35 175.51 1w4a s VAL 107 N 2.64 2.72 -0.66 1.68 -7.23 -1.26 -4.72 120.40 113.56 1w4a s VAL 107 Ca 0.46 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 1w4a s VAL 107 Cb -0.00 -2.98 0.00 0.00 0.56 0.00 0.00 36.38 33.96 1w4a s VAL 107 CO 0.02 -0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 1w4a n GLY 108 N -1.21 0.35 3.96 2.32 0.00 -1.26 -4.92 105.19 104.43 1w4a n GLY 108 Ca -0.02 -0.63 -0.19 0.00 0.00 0.00 0.00 46.02 45.18 1w4a n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w4a n SER 110 N -1.61 1.98 -4.61 0.00 7.64 -1.26 -4.87 113.62 110.90 1w4a n SER 110 Ca 0.01 -3.05 -0.51 0.00 1.01 0.00 0.00 58.87 56.34 1w4a n SER 110 Cb 0.59 -0.66 -0.05 0.00 -1.01 0.00 0.00 64.21 63.08 1w4a n SER 110 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1w4a n PRO 111 N 1.35 1.37 -1.86 1.43 -0.02 -1.26 -4.36 135.00 131.65 1w4a n PRO 111 Ca 0.26 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 1w4a n PRO 111 Cb 0.45 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 1w4a n PRO 111 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1w4a s VAL 112 N 0.53 3.06 -0.10 -1.45 0.11 -0.74 -0.57 120.40 121.23 1w4a s VAL 112 Ca 0.82 0.36 0.16 0.00 -2.93 0.00 0.00 61.98 60.40 1w4a s VAL 112 Cb -0.89 -3.23 -0.18 0.00 -1.53 0.00 0.00 36.38 30.55 1w4a s VAL 112 CO 0.45 -0.01 0.70 0.55 -3.33 0.00 0.00 175.10 173.46 1w4a n VAL 113 N 5.05 1.28 -3.66 2.04 3.14 0.41 -1.17 118.33 125.42 1w4a n VAL 113 Ca 0.17 -0.73 -0.01 0.00 -2.96 0.00 0.00 64.34 60.81 1w4a n VAL 113 Cb 0.41 -0.77 -0.01 0.00 -1.06 0.00 0.00 33.84 32.40 1w4a n VAL 113 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1w4a s ALA 114 N -2.82 -2.00 -0.04 1.55 0.00 -1.17 -2.86 121.76 114.42 1w4a s ALA 114 Ca -0.04 0.58 0.02 0.00 0.00 0.00 0.00 51.96 52.52 1w4a s ALA 114 Cb 0.08 0.42 0.02 0.00 0.00 0.00 0.00 23.12 23.64 1w4a s ALA 114 CO 0.82 -0.99 -0.07 -2.00 0.00 0.00 0.00 175.76 173.52 1w4a s GLU 115 N -2.77 1.02 -0.11 0.00 2.12 -1.26 -0.41 118.70 117.30 1w4a s GLU 115 Ca 0.13 -0.21 -0.08 0.00 0.36 0.00 0.00 54.97 55.16 1w4a s GLU 115 Cb 0.02 -0.95 0.03 0.00 0.26 0.00 0.00 34.13 33.49 1w4a s GLU 115 CO -0.02 -0.01 0.27 0.12 -0.54 0.00 0.00 175.26 175.08 1w4a s PHE 116 N 0.68 -0.32 -1.08 5.30 5.36 -0.18 -4.89 117.98 122.86 1w4a s PHE 116 Ca -0.10 0.77 -0.01 0.00 -0.96 0.00 0.00 56.93 56.62 1w4a s PHE 116 Cb -0.13 0.10 0.01 0.00 -0.34 0.00 0.00 43.02 42.65 1w4a s PHE 116 CO 0.01 -0.17 0.06 0.41 -1.46 0.00 0.00 175.22 174.07 1w4a n GLY 117 N 3.28 -0.50 1.53 13.12 0.00 -1.26 -0.96 105.19 120.40 1w4a n GLY 117 Ca -0.16 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1w4a n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w4a n GLY 118 N -0.85 0.76 3.33 -0.02 0.00 -1.26 -4.75 105.19 102.39 1w4a n GLY 118 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 1w4a n GLY 118 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1w4a s HIS 119 N -2.69 2.15 -0.09 1.61 3.76 -0.14 -5.12 115.29 114.79 1w4a s HIS 119 Ca 0.00 -0.40 -0.16 0.00 -0.15 0.00 0.00 55.06 54.36 1w4a s HIS 119 Cb 0.00 -1.26 -0.05 0.00 1.11 0.00 0.00 32.58 32.39 1w4a s HIS 119 CO 0.00 0.17 0.40 1.03 -0.85 0.00 0.00 174.74 175.48 1w4a s ARG 120 N -1.44 4.15 -0.04 1.40 0.52 -1.26 -1.01 118.95 121.27 1w4a s ARG 120 Ca 0.11 0.33 0.02 0.00 -0.52 0.00 0.00 55.73 55.68 1w4a s ARG 120 Cb -0.10 -3.35 -0.03 0.00 0.52 0.00 0.00 34.95 31.99 1w4a s ARG 120 CO 0.03 0.39 -0.09 0.71 0.02 0.00 0.00 175.30 176.35 1w4a s TYR 121 N -0.07 2.85 0.31 -0.53 2.02 0.45 -5.00 117.35 117.38 1w4a s TYR 121 Ca 0.23 -0.05 -0.12 0.00 -0.37 0.00 0.00 57.07 56.76 1w4a s TYR 121 Cb -0.15 -1.65 -0.08 0.00 -0.40 0.00 0.00 41.96 39.68 1w4a s TYR 121 CO 0.10 0.31 0.68 0.00 -1.57 0.00 0.00 175.55 175.06 1w4a s ALA 122 N -0.85 3.41 0.99 3.71 0.00 -1.26 -0.44 121.76 127.32 1w4a s ALA 122 Ca 0.14 -0.13 -0.11 0.00 0.00 0.00 0.00 51.96 51.86 1w4a s ALA 122 Cb -0.11 -2.64 0.16 0.00 0.00 0.00 0.00 23.12 20.53 1w4a s ALA 122 CO 0.03 0.31 0.92 -1.13 0.00 0.00 0.00 175.76 175.90 1w4a n SER 123 N -0.52 0.09 0.00 0.00 3.41 0.26 -4.58 113.62 112.28 1w4a n SER 123 Ca 0.02 -1.35 0.00 0.00 -0.26 0.00 0.00 58.87 57.28 1w4a n SER 123 Cb 0.53 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1w4a n SER 123 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1w4a n GLY 124 N -1.06 -1.47 3.75 5.00 0.00 0.11 -4.74 105.19 106.78 1w4a n GLY 124 Ca 0.12 -2.02 -0.36 0.00 0.00 0.00 0.00 46.02 43.76 1w4a n GLY 124 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1w4a s MET 125 N 0.00 4.13 -0.19 1.61 -2.45 -1.26 -0.12 119.30 121.03 1w4a s MET 125 Ca 0.00 -0.10 -0.01 0.00 -1.25 0.00 0.00 55.69 54.33 1w4a s MET 125 Cb 0.00 -3.40 0.01 0.00 1.25 0.00 0.00 34.83 32.70 1w4a s MET 125 CO 0.00 0.33 -0.15 0.08 1.05 0.00 0.00 175.02 176.33 1w4a s VAL 126 N 0.23 2.47 -0.20 10.11 1.01 0.12 0.12 120.40 134.27 1w4a s VAL 126 Ca 0.12 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 1w4a s VAL 126 Cb -0.12 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 1w4a s VAL 126 CO 0.01 0.50 0.12 -0.63 0.00 0.00 0.00 175.10 175.10 1w4a s ILE 127 N 1.35 5.29 -0.28 2.22 1.01 -0.73 -0.72 121.20 129.34 1w4a s ILE 127 Ca 0.05 0.15 -0.08 0.00 0.00 0.00 0.00 60.65 60.77 1w4a s ILE 127 Cb -0.13 -3.41 -0.01 0.00 0.01 0.00 0.00 42.46 38.91 1w4a s ILE 127 CO -0.10 0.44 0.10 -0.69 0.00 0.00 0.00 174.94 174.69 1w4a s VAL 128 N 0.37 4.31 0.00 2.92 1.01 0.44 0.03 120.40 129.48 1w4a s VAL 128 Ca 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1w4a s VAL 128 Cb -0.11 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1w4a s VAL 128 CO -0.02 0.20 0.00 1.07 0.00 0.00 0.00 175.10 176.35 1w4a n THR 129 N 4.93 0.00 0.00 3.92 5.66 -0.14 -0.46 114.28 128.19 1w4a n THR 129 Ca -0.15 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.85 1w4a n THR 129 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 1w4a n THR 129 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1w4a n GLY 130 N 0.00 1.36 3.79 1.09 0.00 -1.26 -2.16 105.19 108.01 1w4a n GLY 130 Ca 0.00 -2.27 -0.28 0.00 0.00 0.00 0.00 46.02 43.48 1w4a n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1w4a s LYS 131 N -1.28 2.21 0.00 1.61 1.02 -1.26 -4.47 119.74 117.57 1w4a s LYS 131 Ca 0.00 -2.08 0.00 0.00 0.02 0.00 0.00 55.97 53.91 1w4a s LYS 131 Cb 0.00 -1.86 0.00 0.00 -0.52 0.00 0.00 37.83 35.45 1w4a s LYS 131 CO 0.00 -0.34 0.00 0.41 -0.92 0.00 0.00 175.35 174.50 1w4a n GLY 132 N -1.39 -2.13 0.01 -3.33 0.00 -1.26 -4.70 105.19 92.39 1w4a n GLY 132 Ca -0.07 -2.14 0.13 0.00 0.00 0.00 0.00 46.02 43.94 1w4a n GLY 132 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1w4a n ASN 133 N 0.00 0.36 -4.67 1.61 3.02 -1.26 -4.86 115.26 109.46 1w4a n ASN 133 Ca 0.00 0.10 -0.42 0.00 -0.03 0.00 0.00 54.58 54.23 1w4a n ASN 133 Cb 0.00 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 1w4a n ASN 133 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1w4a s SER 134 N -3.22 6.71 0.07 6.41 0.01 -1.26 -4.95 113.70 117.47 1w4a s SER 134 Ca 0.12 2.24 -0.30 0.00 1.31 0.00 0.00 55.95 59.31 1w4a s SER 134 Cb 0.17 -2.55 -0.06 0.00 0.21 0.00 0.00 66.02 63.80 1w4a s SER 134 CO 0.64 -0.85 1.18 -0.83 0.41 0.00 0.00 173.24 173.78 1w4a s GLY 135 N 2.66 2.49 -0.04 3.44 0.00 -1.26 -4.97 107.32 109.63 1w4a s GLY 135 Ca 0.70 0.83 -0.21 0.00 0.00 0.00 0.00 44.72 46.03 1w4a s GLY 135 CO 0.29 1.98 0.90 0.50 0.00 0.00 0.00 173.10 176.77 1w4a h LYS 136 N 6.62 0.32 -0.46 2.90 1.57 -1.96 -3.14 116.57 122.43 1w4a h LYS 136 Ca -0.42 -0.55 0.03 0.00 -1.87 0.00 0.00 60.65 57.85 1w4a h LYS 136 Cb 1.21 0.20 -0.04 0.00 0.08 0.00 0.00 32.23 33.69 1w4a h LYS 136 CO 0.80 1.26 0.25 1.15 -0.57 0.00 0.00 179.45 182.34 1w4a h THR 137 N -0.33 1.00 -0.35 -0.16 2.02 -1.98 0.17 112.91 113.29 1w4a h THR 137 Ca -0.15 -0.17 -0.05 0.00 0.77 0.00 0.00 66.41 66.81 1w4a h THR 137 Cb 1.68 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 1w4a h THR 137 CO 0.16 0.09 -0.02 -0.65 0.37 0.00 0.00 175.52 175.48 1w4a h PRO 138 N 0.49 0.55 -0.23 6.66 0.11 -1.89 -2.82 132.00 134.87 1w4a h PRO 138 Ca 0.19 -0.12 -0.12 0.00 0.11 0.00 0.00 66.00 66.06 1w4a h PRO 138 Cb 0.07 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.10 1w4a h PRO 138 CO -0.11 0.58 -0.32 1.25 -0.21 0.00 0.00 178.00 179.19 1w4a h LEU 139 N 0.52 0.67 -1.11 2.35 7.12 -1.29 -1.96 115.31 121.61 1w4a h LEU 139 Ca 0.11 -0.51 -0.04 0.00 0.13 0.00 0.00 57.88 57.57 1w4a h LEU 139 Cb 0.36 -0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 40.28 1w4a h LEU 139 CO 0.01 1.05 0.15 -0.37 -0.13 0.00 0.00 178.44 179.15 1w4a h VAL 140 N 0.31 1.21 -0.33 1.05 -1.51 -0.51 -0.35 116.25 116.12 1w4a h VAL 140 Ca 0.02 -0.73 -0.16 0.00 -1.23 0.00 0.00 66.70 64.60 1w4a h VAL 140 Cb 0.90 0.66 -0.01 0.00 -2.13 0.00 0.00 31.29 30.71 1w4a h VAL 140 CO 0.07 0.28 -0.42 0.45 -1.23 0.00 0.00 177.57 176.72 1w4a h HIS 141 N 0.75 1.01 -0.34 5.19 3.86 -1.48 -0.58 115.15 123.57 1w4a h HIS 141 Ca 0.17 -0.31 -0.11 0.00 -1.16 0.00 0.00 60.37 58.97 1w4a h HIS 141 Cb 0.24 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 1w4a h HIS 141 CO 0.01 1.11 -0.23 0.00 0.86 0.00 0.00 177.93 179.68 1w4a h ALA 142 N 0.85 0.97 -0.39 2.45 0.00 -0.87 -1.55 119.26 120.71 1w4a h ALA 142 Ca 0.05 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 1w4a h ALA 142 Cb 0.99 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1w4a h ALA 142 CO 0.10 0.60 -0.09 1.25 0.00 0.00 0.00 179.25 181.10 1w4a h LEU 143 N 0.58 0.76 -0.72 0.00 6.46 -0.94 -0.02 115.31 121.42 1w4a h LEU 143 Ca 0.08 -0.36 0.04 0.00 -0.12 0.00 0.00 57.88 57.52 1w4a h LEU 143 Cb 0.70 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 40.37 1w4a h LEU 143 CO 0.05 0.95 0.44 1.23 -0.62 0.00 0.00 178.44 180.49 1w4a h GLY 144 N 0.57 1.06 1.26 3.75 0.00 -0.89 0.39 103.07 109.20 1w4a h GLY 144 Ca 0.10 -0.32 -0.19 0.00 0.00 0.00 0.00 47.33 46.92 1w4a h GLY 144 CO 0.04 0.25 -0.60 -2.09 0.00 0.00 0.00 176.54 174.13 1w4a h GLU 145 N 0.84 0.76 -0.13 4.80 4.22 -1.09 -0.96 114.58 123.02 1w4a h GLU 145 Ca 0.30 -0.51 -0.01 0.00 0.08 0.00 0.00 59.36 59.22 1w4a h GLU 145 Cb 0.09 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1w4a h GLU 145 CO -0.14 1.14 0.03 0.00 -2.18 0.00 0.00 179.01 177.86 1w4a h ALA 146 N 0.75 0.17 0.00 2.92 0.00 -0.59 -2.76 119.26 119.75 1w4a h ALA 146 Ca -0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1w4a h ALA 146 Cb 1.20 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1w4a h ALA 146 CO 0.13 -0.19 -0.36 -0.07 0.00 0.00 0.00 179.25 178.75 1w4a h LEU 147 N 0.00 0.00 -1.03 0.00 3.38 -0.97 -2.84 115.31 113.85 1w4a h LEU 147 Ca 0.04 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1w4a h LEU 147 Cb 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1w4a h LEU 147 CO 0.00 0.36 -0.06 1.23 0.09 0.00 0.00 178.44 180.06 1w4a h GLY 148 N 2.72 0.67 0.00 0.83 0.00 -1.12 -3.46 103.07 102.72 1w4a h GLY 148 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1w4a h GLY 148 CO 0.05 0.42 0.00 0.61 0.00 0.00 0.00 176.54 177.62 1w4a n GLY 149 N -0.66 0.65 0.11 4.60 0.00 -1.05 -0.38 105.19 108.47 1w4a n GLY 149 Ca 0.01 0.54 0.12 0.00 0.00 0.00 0.00 46.02 46.70 1w4a n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w4a h LYS 150 N 0.00 0.00 -6.20 1.61 1.57 -1.90 -3.46 116.57 108.19 1w4a h LYS 150 Ca 0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 1w4a h LYS 150 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.23 1w4a h LYS 150 CO 0.00 0.00 -0.59 -0.51 -0.57 0.00 0.00 179.45 177.78 1w4a s ASP 151 N -4.79 5.49 0.56 0.86 -0.00 0.49 -5.10 116.67 114.18 1w4a s ASP 151 Ca 0.08 -0.06 -0.18 0.00 -0.00 0.00 0.00 52.55 52.38 1w4a s ASP 151 Cb 0.11 -1.45 -0.05 0.00 -0.00 0.00 0.00 42.92 41.53 1w4a s ASP 151 CO 0.67 0.14 1.09 -0.54 -0.00 0.00 0.00 175.17 176.53 1w4a s LYS 152 N -2.62 3.33 0.18 8.23 1.02 -1.26 -4.42 119.74 124.20 1w4a s LYS 152 Ca 0.30 1.45 0.04 0.00 0.02 0.00 0.00 55.97 57.78 1w4a s LYS 152 Cb -0.11 -2.02 -0.04 0.00 -0.52 0.00 0.00 37.83 35.14 1w4a s LYS 152 CO 0.22 -0.83 0.24 1.52 -0.92 0.00 0.00 175.35 175.58 1w4a s TYR 153 N -2.04 3.34 -0.11 3.18 1.13 -1.26 -4.78 117.35 116.81 1w4a s TYR 153 Ca 0.69 0.04 -0.10 0.00 -1.41 0.00 0.00 57.07 56.29 1w4a s TYR 153 Cb -0.20 -1.58 -0.05 0.00 -1.10 0.00 0.00 41.96 39.03 1w4a s TYR 153 CO 0.30 0.51 0.21 0.00 -2.51 0.00 0.00 175.55 174.06 1w4a s ALA 154 N -1.81 3.79 -0.18 9.51 0.00 -0.33 -4.98 121.76 127.76 1w4a s ALA 154 Ca 0.33 -0.54 -0.01 0.00 0.00 0.00 0.00 51.96 51.75 1w4a s ALA 154 Cb -0.10 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 20.90 1w4a s ALA 154 CO 0.27 0.49 -0.13 0.99 0.00 0.00 0.00 175.76 177.38 1w4a s THR 155 N -0.75 2.70 -0.23 0.00 2.01 -1.26 0.22 115.64 118.33 1w4a s THR 155 Ca 0.16 -0.73 -0.06 0.00 0.31 0.00 0.00 61.69 61.37 1w4a s THR 155 Cb -0.13 -2.17 -0.02 0.00 0.01 0.00 0.00 72.50 70.19 1w4a s THR 155 CO 0.05 0.49 0.02 -0.69 -0.69 0.00 0.00 174.62 173.80 1w4a s VAL 156 N 1.17 3.88 -0.11 3.82 1.01 0.10 -4.97 120.40 125.31 1w4a s VAL 156 Ca 0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.65 1w4a s VAL 156 Cb -0.14 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 1w4a s VAL 156 CO -0.05 0.38 -0.02 -0.13 0.00 0.00 0.00 175.10 175.28 1w4a s ARG 157 N 1.50 3.21 -0.20 2.72 0.52 -1.26 -1.12 118.95 124.32 1w4a s ARG 157 Ca 0.06 -0.46 -0.23 0.00 -0.52 0.00 0.00 55.73 54.57 1w4a s ARG 157 Cb -0.15 -2.82 0.06 0.00 0.52 0.00 0.00 34.95 32.57 1w4a s ARG 157 CO 0.01 0.53 0.63 0.12 0.02 0.00 0.00 175.30 176.61 1w4a s PHE 158 N -0.43 -0.67 -1.66 -0.53 5.36 -1.09 -4.09 117.98 114.87 1w4a s PHE 158 Ca 0.07 1.54 -0.02 0.00 -0.96 0.00 0.00 56.93 57.56 1w4a s PHE 158 Cb -0.12 0.26 0.00 0.00 -0.34 0.00 0.00 43.02 42.82 1w4a s PHE 158 CO 0.02 -0.39 0.29 0.41 -1.46 0.00 0.00 175.22 174.10 1w4a n GLY 159 N 2.35 -0.51 3.41 13.12 0.00 -0.68 -4.39 105.19 118.49 1w4a n GLY 159 Ca -0.15 0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1w4a n GLY 159 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1w4a s GLU 160 N -5.37 2.02 -0.46 1.61 0.41 -1.26 -4.81 118.70 110.84 1w4a s GLU 160 Ca 0.15 -0.99 -0.07 0.00 -0.41 0.00 0.00 54.97 53.65 1w4a s GLU 160 Cb -0.07 -2.13 -0.20 0.00 -1.78 0.00 0.00 34.13 29.95 1w4a s GLU 160 CO 0.18 0.54 3.25 -0.35 -0.49 0.00 0.00 175.26 178.40 1w4a n PRO 161 N 1.75 2.36 -4.36 0.39 -0.04 -1.26 -4.74 135.00 129.11 1w4a n PRO 161 Ca -0.16 -1.29 -0.19 0.00 -0.04 0.00 0.00 63.50 61.82 1w4a n PRO 161 Cb 0.52 -2.21 -0.10 0.00 -0.04 0.00 0.00 33.50 31.67 1w4a n PRO 161 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1w4a s LEU 162 N 0.05 2.56 0.31 1.53 1.43 -1.26 -5.11 118.68 118.19 1w4a s LEU 162 Ca 0.64 -1.02 -0.29 0.00 -1.03 0.00 0.00 54.13 52.43 1w4a s LEU 162 Cb 0.26 -0.73 -0.13 0.00 0.03 0.00 0.00 46.19 45.62 1w4a s LEU 162 CO -0.02 -0.14 1.29 -1.54 0.23 0.00 0.00 176.35 176.17 1w4a n SER 163 N -0.40 2.60 -0.62 2.29 3.41 -1.26 -2.49 113.62 117.15 1w4a n SER 163 Ca -0.08 1.19 -0.08 0.00 -0.26 0.00 0.00 58.87 59.64 1w4a n SER 163 Cb 0.60 -1.45 -0.03 0.00 -0.26 0.00 0.00 64.21 63.07 1w4a n SER 163 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1w4a n GLY 164 N 1.12 0.89 3.71 5.00 0.00 -1.26 -4.98 105.19 109.67 1w4a n GLY 164 Ca 0.07 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 1w4a n GLY 164 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1w4a s TYR 165 N -1.96 3.52 0.38 1.61 2.02 -1.04 -5.05 117.35 116.84 1w4a s TYR 165 Ca 0.00 1.04 -0.25 0.00 -0.37 0.00 0.00 57.07 57.49 1w4a s TYR 165 Cb 0.00 -2.69 -0.09 0.00 -0.40 0.00 0.00 41.96 38.78 1w4a s TYR 165 CO 0.00 0.09 1.05 1.21 -1.57 0.00 0.00 175.55 176.33 1w4a s ASN 166 N 0.76 6.88 0.00 2.29 2.47 -1.26 -4.86 114.94 121.22 1w4a s ASN 166 Ca 0.31 2.06 0.00 0.00 0.42 0.00 0.00 52.86 55.65 1w4a s ASN 166 Cb -0.16 -2.59 0.00 0.00 -1.45 0.00 0.00 41.25 37.05 1w4a s ASN 166 CO 0.14 -0.41 0.67 0.35 -3.72 0.00 0.00 177.10 174.13 1w4a n THR 167 N 0.16 0.42 -3.25 -5.21 -2.24 -1.26 -1.68 114.28 101.22 1w4a n THR 167 Ca 0.04 -0.44 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 1w4a n THR 167 Cb 0.49 0.86 -0.08 0.00 -2.10 0.00 0.00 70.33 69.50 1w4a n THR 167 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1w4a s ASP 168 N -0.42 6.28 0.32 3.42 -1.08 -1.26 -4.87 116.67 119.07 1w4a s ASP 168 Ca 0.00 -0.25 0.09 0.00 -0.52 0.00 0.00 52.55 51.87 1w4a s ASP 168 Cb 0.00 -2.26 0.84 0.00 -1.46 0.00 0.00 42.92 40.04 1w4a s ASP 168 CO 0.00 -0.55 1.76 0.15 0.52 0.00 0.00 175.17 177.05 1w4a h PHE 169 N 8.60 1.00 0.00 -5.34 3.57 -1.99 -1.32 116.94 121.45 1w4a h PHE 169 Ca -0.27 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.19 1w4a h PHE 169 Cb 1.12 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 1w4a h PHE 169 CO 0.70 0.14 -0.32 -0.91 -2.23 0.00 0.00 178.31 175.69 1w4a h ASN 170 N 0.65 0.00 0.14 0.41 2.35 -1.96 -1.59 115.58 115.58 1w4a h ASN 170 Ca 0.61 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 56.15 1w4a h ASN 170 Cb 1.10 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.47 1w4a h ASN 170 CO -0.41 0.32 -0.80 0.58 -1.65 0.00 0.00 177.43 175.47 1w4a h VAL 171 N 0.00 1.35 0.00 2.81 2.07 -1.68 -3.05 116.25 117.75 1w4a h VAL 171 Ca -0.00 -2.16 0.01 0.00 0.82 0.00 0.00 66.70 65.37 1w4a h VAL 171 Cb 0.75 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.66 1w4a h VAL 171 CO 0.04 0.66 -0.05 0.15 0.02 0.00 0.00 177.57 178.39 1w4a h PHE 172 N 0.35 -0.12 0.00 1.57 3.57 -0.84 0.07 116.94 121.54 1w4a h PHE 172 Ca -0.05 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.42 1w4a h PHE 172 Cb 1.41 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 40.20 1w4a h PHE 172 CO 0.06 -0.08 -0.15 -0.39 -2.23 0.00 0.00 178.31 175.53 1w4a h VAL 173 N -0.09 0.67 -0.24 1.41 -1.51 -1.38 -0.43 116.25 114.68 1w4a h VAL 173 Ca 0.02 -0.63 -0.13 0.00 -1.23 0.00 0.00 66.70 64.73 1w4a h VAL 173 Cb 0.11 1.39 -0.00 0.00 -2.13 0.00 0.00 31.29 30.66 1w4a h VAL 173 CO -0.05 0.15 -0.35 -0.78 -1.23 0.00 0.00 177.57 175.31 1w4a h ASP 174 N 0.00 0.72 -0.57 4.19 1.82 -1.18 -1.02 116.42 120.38 1w4a h ASP 174 Ca -0.00 -0.51 -0.05 0.00 -0.39 0.00 0.00 57.03 56.07 1w4a h ASP 174 Cb 0.38 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 40.16 1w4a h ASP 174 CO 0.02 1.09 0.15 0.44 -1.61 0.00 0.00 179.24 179.33 1w4a h ASP 175 N 0.37 0.86 -0.17 2.28 3.32 -0.39 -2.11 116.42 120.57 1w4a h ASP 175 Ca 0.02 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.84 1w4a h ASP 175 Cb 0.93 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1w4a h ASP 175 CO 0.08 0.86 0.06 0.40 -1.72 0.00 0.00 179.24 178.92 1w4a h ILE 176 N 0.81 1.18 -0.32 0.35 2.04 -1.01 -0.41 117.51 120.15 1w4a h ILE 176 Ca 0.18 -0.54 0.03 0.00 1.00 0.00 0.00 64.86 65.53 1w4a h ILE 176 Cb 0.33 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1w4a h ILE 176 CO -0.00 0.17 0.13 0.00 0.00 0.00 0.00 178.15 178.45 1w4a h ALA 177 N 0.89 0.37 -0.79 1.87 0.00 -1.13 -0.59 119.26 119.88 1w4a h ALA 177 Ca 0.06 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1w4a h ALA 177 Cb 0.21 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1w4a h ALA 177 CO -0.00 -0.26 0.37 -0.09 0.00 0.00 0.00 179.25 179.26 1w4a h ARG 178 N 0.28 1.14 -0.45 0.00 2.43 -1.25 -1.73 114.38 114.81 1w4a h ARG 178 Ca 0.14 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1w4a h ARG 178 Cb 0.09 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 1w4a h ARG 178 CO -0.12 0.90 0.16 0.00 -1.51 0.00 0.00 179.97 179.40 1w4a h ALA 179 N 1.19 0.58 0.00 2.80 0.00 -0.53 -2.11 119.26 121.20 1w4a h ALA 179 Ca 0.27 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1w4a h ALA 179 Cb 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1w4a h ALA 179 CO -0.03 0.21 -0.40 0.52 0.00 0.00 0.00 179.25 179.54 1w4a h MET 180 N 0.58 0.00 0.00 0.00 2.86 -0.84 0.35 114.93 117.88 1w4a h MET 180 Ca 0.15 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 1w4a h MET 180 Cb 0.22 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 1w4a h MET 180 CO -0.01 0.40 -0.07 -0.07 1.06 0.00 0.00 176.91 178.23 1w4a h LEU 181 N 0.00 0.00 0.00 1.22 3.38 -1.02 -3.38 115.31 115.51 1w4a h LEU 181 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1w4a h LEU 181 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1w4a h LEU 181 CO 0.05 0.07 -0.27 0.00 0.09 0.00 0.00 178.44 178.38 1w4a n GLN 182 N -3.14 4.73 -4.03 1.13 6.02 -0.82 -4.99 117.38 116.27 1w4a n GLN 182 Ca 0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.89 1w4a n GLN 182 Cb 0.45 -0.61 -0.11 0.00 1.02 0.00 0.00 30.24 30.99 1w4a n GLN 182 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1w4a s HIS 183 N -1.19 0.53 0.07 1.08 3.76 0.07 -5.06 115.29 114.55 1w4a s HIS 183 Ca 0.00 -0.50 0.03 0.00 -0.15 0.00 0.00 55.06 54.43 1w4a s HIS 183 Cb 0.00 -0.33 -0.24 0.00 1.11 0.00 0.00 32.58 33.12 1w4a s HIS 183 CO 0.00 -0.12 1.12 -0.09 -0.85 0.00 0.00 174.74 174.80 1w4a h ARG 184 N 4.57 0.11 -5.02 1.40 2.43 -1.90 -3.42 114.38 112.55 1w4a h ARG 184 Ca -0.34 -0.19 -0.66 0.00 -0.81 0.00 0.00 59.98 57.97 1w4a h ARG 184 Cb 1.20 0.07 -0.35 0.00 -0.42 0.00 0.00 29.97 30.48 1w4a h ARG 184 CO 0.41 1.03 -0.86 0.08 -1.51 0.00 0.00 179.97 179.12 1w4a s VAL 185 N -2.67 2.00 -0.03 0.20 1.01 -1.26 -0.24 120.40 119.41 1w4a s VAL 185 Ca -0.02 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.09 1w4a s VAL 185 Cb 0.08 -1.81 -0.00 0.00 0.00 0.00 0.00 36.38 34.65 1w4a s VAL 185 CO 0.84 0.53 -0.15 -0.63 0.00 0.00 0.00 175.10 175.69 1w4a s ILE 186 N 1.30 1.28 -0.14 2.22 1.01 0.38 -1.18 121.20 126.07 1w4a s ILE 186 Ca 0.05 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.05 1w4a s ILE 186 Cb -0.13 -1.09 -0.01 0.00 0.01 0.00 0.00 42.46 41.23 1w4a s ILE 186 CO -0.13 0.37 -0.14 -0.69 0.00 0.00 0.00 174.94 174.36 1w4a s VAL 187 N -0.03 2.94 -0.26 2.92 1.01 0.13 0.52 120.40 127.63 1w4a s VAL 187 Ca -0.01 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 1w4a s VAL 187 Cb -0.10 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.07 1w4a s VAL 187 CO 0.01 0.52 -0.01 -0.63 0.00 0.00 0.00 175.10 174.99 1w4a s ILE 188 N 0.47 3.29 -0.43 2.22 1.01 0.29 0.03 121.20 128.07 1w4a s ILE 188 Ca -0.10 -0.85 -0.15 0.00 0.00 0.00 0.00 60.65 59.55 1w4a s ILE 188 Cb -0.16 -2.66 0.04 0.00 0.01 0.00 0.00 42.46 39.69 1w4a s ILE 188 CO 0.05 0.19 0.35 -0.62 0.00 0.00 0.00 174.94 174.90 1w4a s ASP 189 N 1.40 6.13 0.00 3.58 -1.08 -0.27 -2.67 116.67 123.76 1w4a s ASP 189 Ca 0.02 -1.05 0.00 0.00 -0.52 0.00 0.00 52.55 51.00 1w4a s ASP 189 Cb -0.16 -2.17 0.00 0.00 -1.46 0.00 0.00 42.92 39.12 1w4a s ASP 189 CO -0.02 -0.53 0.00 -0.24 0.52 0.00 0.00 175.17 174.89 1w4a n SER 190 N 5.21 -1.29 -0.21 -0.34 2.88 -1.26 -2.66 113.62 115.96 1w4a n SER 190 Ca -0.11 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.54 1w4a n SER 190 Cb 0.46 -0.65 0.10 0.00 -0.75 0.00 0.00 64.21 63.37 1w4a n SER 190 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1w4a n LEU 191 N 0.00 1.23 -0.31 2.46 7.94 -1.00 -4.49 117.00 122.83 1w4a n LEU 191 Ca 0.00 -0.43 0.17 0.00 -1.11 0.00 0.00 56.01 54.64 1w4a n LEU 191 Cb 0.00 -0.07 0.35 0.00 0.53 0.00 0.00 43.42 44.22 1w4a n LEU 191 CO 0.00 0.25 0.95 0.11 -1.11 0.00 0.00 177.39 177.59 1w4a h LYS 192 N 1.03 0.15 0.00 1.96 1.57 -1.92 0.22 116.57 119.59 1w4a h LYS 192 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1w4a h LYS 192 Cb 0.58 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1w4a h LYS 192 CO 0.00 0.10 0.00 0.09 -0.57 0.00 0.00 179.45 179.07 1w4a n ASN 193 N -5.26 0.00 -0.01 0.86 4.13 -1.26 -2.71 115.26 111.01 1w4a n ASN 193 Ca 0.25 0.17 -0.09 0.00 1.68 0.00 0.00 54.58 56.60 1w4a n ASN 193 Cb 0.81 -0.39 -0.14 0.00 -1.54 0.00 0.00 39.78 38.53 1w4a n ASN 193 CO 0.00 0.00 0.00 -0.37 0.28 0.00 0.00 177.26 177.17 1w4a h VAL 194 N 0.00 0.97 -2.00 2.41 -1.51 -0.88 -3.51 116.25 111.73 1w4a h VAL 194 Ca 0.00 -2.80 -0.65 0.00 -1.23 0.00 0.00 66.70 62.02 1w4a h VAL 194 Cb 0.36 2.49 -0.15 0.00 -2.13 0.00 0.00 31.29 31.86 1w4a h VAL 194 CO 0.00 0.57 1.03 -0.63 -1.23 0.00 0.00 177.57 177.32 1w4a s ILE 195 N -2.61 4.39 0.00 7.19 -1.09 -1.01 -4.82 121.20 123.26 1w4a s ILE 195 Ca -0.04 -1.13 0.00 0.00 -2.23 0.00 0.00 60.65 57.24 1w4a s ILE 195 Cb 0.08 -4.87 0.00 0.00 -1.58 0.00 0.00 42.46 36.10 1w4a s ILE 195 CO 0.82 -1.66 0.00 -0.38 -1.23 0.00 0.00 174.94 172.50 1w4a n ILE 207 N 6.02 0.00 -1.16 2.92 5.41 -1.26 -5.10 119.36 126.18 1w4a n ILE 207 Ca 0.24 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.68 1w4a n ILE 207 Cb 0.49 0.00 0.13 0.00 -0.71 0.00 0.00 39.64 39.55 1w4a n ILE 207 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1w4a s SER 208 N 0.00 3.75 0.19 4.38 1.04 -1.26 -4.84 113.70 116.96 1w4a s SER 208 Ca 0.00 1.68 -0.12 0.00 0.48 0.00 0.00 55.95 57.98 1w4a s SER 208 Cb 0.00 -2.34 0.15 0.00 0.10 0.00 0.00 66.02 63.92 1w4a s SER 208 CO 0.00 -2.49 1.81 -0.09 0.98 0.00 0.00 173.24 173.45 1w4a h ARG 209 N -1.44 0.59 -0.66 4.02 2.43 -1.85 -1.26 114.38 116.20 1w4a h ARG 209 Ca -0.47 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 1w4a h ARG 209 Cb 1.26 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.65 1w4a h ARG 209 CO 0.52 0.39 0.37 0.78 -1.51 0.00 0.00 179.97 180.52 1w4a h GLY 210 N 0.61 0.98 0.99 2.80 0.00 -1.36 0.77 103.07 107.87 1w4a h GLY 210 Ca 0.24 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1w4a h GLY 210 CO -0.14 0.42 0.35 0.00 0.00 0.00 0.00 176.54 177.17 1w4a h ALA 211 N 1.19 0.78 -0.60 3.60 0.00 -1.68 0.20 119.26 122.74 1w4a h ALA 211 Ca 0.24 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1w4a h ALA 211 Cb 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1w4a h ALA 211 CO -0.04 0.29 0.03 0.35 0.00 0.00 0.00 179.25 179.88 1w4a h PHE 212 N 0.83 1.13 -0.49 0.00 3.57 -0.94 -2.39 116.94 118.65 1w4a h PHE 212 Ca 0.22 -0.19 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1w4a h PHE 212 Cb 0.02 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.44 1w4a h PHE 212 CO -0.01 0.99 0.22 -0.44 -2.23 0.00 0.00 178.31 176.84 1w4a h ASP 213 N 0.95 0.65 0.16 0.41 3.32 -0.34 -2.75 116.42 118.83 1w4a h ASP 213 Ca 0.18 -0.14 0.01 0.00 0.02 0.00 0.00 57.03 57.09 1w4a h ASP 213 Cb 0.52 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1w4a h ASP 213 CO 0.03 0.61 -0.20 0.25 -1.72 0.00 0.00 179.24 178.20 1w4a h LEU 214 N 0.64 -0.54 -0.94 1.55 5.85 -0.76 -0.61 115.31 120.50 1w4a h LEU 214 Ca 0.17 0.06 0.12 0.00 0.84 0.00 0.00 57.88 59.06 1w4a h LEU 214 Cb 0.14 0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.28 1w4a h LEU 214 CO -0.02 -0.29 0.57 -0.07 -0.34 0.00 0.00 178.44 178.29 1w4a h LEU 215 N -0.41 0.82 0.00 2.25 -0.00 -1.39 -0.10 115.31 116.47 1w4a h LEU 215 Ca 0.01 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 1w4a h LEU 215 Cb 0.40 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 40.96 1w4a h LEU 215 CO -0.07 0.44 -0.21 0.77 -0.00 0.00 0.00 178.44 179.36 1w4a h SER 216 N 0.90 0.00 0.00 -0.43 4.64 -1.17 -3.39 113.55 114.10 1w4a h SER 216 Ca 0.47 -0.05 -0.31 0.00 -0.47 0.00 0.00 61.79 61.43 1w4a h SER 216 Cb 0.48 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.51 1w4a h SER 216 CO -0.27 0.02 -2.19 0.47 -0.87 0.00 0.00 176.83 174.00 1w4a n ASP 217 N -2.43 2.14 -0.29 4.97 8.00 -0.26 -4.73 116.55 123.94 1w4a n ASP 217 Ca 0.04 -0.10 0.09 0.00 0.71 0.00 0.00 54.79 55.54 1w4a n ASP 217 Cb 0.46 -0.13 0.25 0.00 -0.02 0.00 0.00 41.12 41.68 1w4a n ASP 217 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1w4a h ILE 218 N 0.00 0.62 -0.45 0.53 2.10 -1.24 -1.45 117.51 117.62 1w4a h ILE 218 Ca -0.47 -0.18 0.01 0.00 1.08 0.00 0.00 64.86 65.31 1w4a h ILE 218 Cb 1.77 0.06 -0.03 0.00 -1.09 0.00 0.00 36.82 37.54 1w4a h ILE 218 CO -0.06 0.09 0.29 1.23 -1.08 0.00 0.00 178.15 178.63 1w4a h GLY 219 N 0.52 0.64 1.16 8.18 0.00 -1.82 -1.02 103.07 110.73 1w4a h GLY 219 Ca 0.49 -0.22 -0.17 0.00 0.00 0.00 0.00 47.33 47.43 1w4a h GLY 219 CO -0.43 0.21 -0.43 0.00 0.00 0.00 0.00 176.54 175.89 1w4a h ALA 220 N 1.18 0.56 -0.24 3.60 0.00 -1.68 -1.76 119.26 120.92 1w4a h ALA 220 Ca 0.17 -0.47 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1w4a h ALA 220 Cb -0.03 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1w4a h ALA 220 CO -0.06 0.68 0.07 0.52 0.00 0.00 0.00 179.25 180.46 1w4a h MET 221 N 0.73 0.17 -0.09 0.00 2.07 -0.98 0.67 114.93 117.51 1w4a h MET 221 Ca 0.05 -0.01 -0.02 0.00 -2.07 0.00 0.00 59.70 57.65 1w4a h MET 221 Cb 1.02 -0.04 -0.00 0.00 -1.87 0.00 0.00 31.60 30.71 1w4a h MET 221 CO 0.10 0.11 -0.00 0.00 1.07 0.00 0.00 176.91 178.19 1w4a h ALA 222 N 1.16 0.12 -0.42 6.32 0.00 -1.19 -1.75 119.26 123.49 1w4a h ALA 222 Ca 0.11 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1w4a h ALA 222 Cb 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1w4a h ALA 222 CO -0.12 -0.18 0.27 0.00 0.00 0.00 0.00 179.25 179.22 1w4a h ALA 223 N 0.72 1.69 -0.14 0.00 0.00 -1.22 0.52 119.26 120.82 1w4a h ALA 223 Ca 0.03 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1w4a h ALA 223 Cb 0.37 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1w4a h ALA 223 CO 0.01 0.29 -0.63 0.77 0.00 0.00 0.00 179.25 179.69 1w4a h SER 224 N 0.57 0.58 0.57 0.00 0.02 -0.70 -3.16 113.55 111.43 1w4a h SER 224 Ca 0.15 -0.34 -0.20 0.00 -0.84 0.00 0.00 61.79 60.57 1w4a h SER 224 Cb -0.05 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1w4a h SER 224 CO -0.03 1.06 -0.88 -0.09 -1.14 0.00 0.00 176.83 175.75 1w4a h ARG 225 N 0.37 0.20 0.00 3.45 9.65 -0.32 -3.44 114.38 124.29 1w4a h ARG 225 Ca -0.01 -0.22 0.00 0.00 -1.10 0.00 0.00 59.98 58.65 1w4a h ARG 225 Cb 1.18 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.83 1w4a h ARG 225 CO 0.11 0.96 0.00 0.41 2.80 0.00 0.00 179.97 184.25 1w4a n GLY 226 N 0.88 0.93 3.99 2.80 0.00 0.17 -3.92 105.19 110.03 1w4a n GLY 226 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 1w4a n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w4a s VAL 228 N -2.15 2.13 -0.25 0.00 0.11 0.67 0.07 120.40 120.98 1w4a s VAL 228 Ca 0.43 -1.04 -0.03 0.00 -2.93 0.00 0.00 61.98 58.41 1w4a s VAL 228 Cb -0.09 -1.78 0.02 0.00 -1.53 0.00 0.00 36.38 32.99 1w4a s VAL 228 CO 0.31 0.57 -0.04 -0.69 -3.33 0.00 0.00 175.10 171.92 1w4a s VAL 229 N -0.12 3.16 -0.45 2.04 1.01 0.83 -0.47 120.40 126.40 1w4a s VAL 229 Ca -0.05 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 1w4a s VAL 229 Cb -0.14 -2.56 0.09 0.00 0.00 0.00 0.00 36.38 33.76 1w4a s VAL 229 CO 0.04 0.24 0.33 -0.63 0.00 0.00 0.00 175.10 175.07 1w4a s ILE 230 N 1.39 4.52 -0.14 2.22 1.01 0.18 0.12 121.20 130.51 1w4a s ILE 230 Ca 0.02 -1.41 -0.00 0.00 0.00 0.00 0.00 60.65 59.25 1w4a s ILE 230 Cb -0.16 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.49 1w4a s ILE 230 CO -0.03 -0.61 -0.13 0.00 0.00 0.00 0.00 174.94 174.18 1w4a s ALA 231 N 1.47 2.63 0.22 9.38 0.00 0.11 -0.55 121.76 135.03 1w4a s ALA 231 Ca 0.04 -0.91 -0.23 0.00 0.00 0.00 0.00 51.96 50.85 1w4a s ALA 231 Cb -0.25 -1.25 -0.09 0.00 0.00 0.00 0.00 23.12 21.54 1w4a s ALA 231 CO 0.03 0.19 0.80 -1.54 0.00 0.00 0.00 175.76 175.24 1w4a s SER 232 N 0.44 7.26 -0.11 0.00 1.04 -1.09 -0.42 113.70 120.82 1w4a s SER 232 Ca -0.09 1.61 -0.05 0.00 0.48 0.00 0.00 55.95 57.90 1w4a s SER 232 Cb -0.16 -2.49 0.05 0.00 0.10 0.00 0.00 66.02 63.53 1w4a s SER 232 CO 0.05 0.08 0.23 -0.22 0.98 0.00 0.00 173.24 174.36 1w4a s LEU 233 N -1.66 0.03 -0.25 2.42 2.96 0.39 -2.37 118.68 120.21 1w4a s LEU 233 Ca 0.42 0.51 -0.10 0.00 -0.22 0.00 0.00 54.13 54.74 1w4a s LEU 233 Cb -0.20 0.63 -0.05 0.00 0.50 0.00 0.00 46.19 47.07 1w4a s LEU 233 CO 0.24 -0.21 0.15 0.20 -1.32 0.00 0.00 176.35 175.41 1w4a s ASN 234 N 1.94 5.89 -0.07 3.68 -0.87 -1.26 -4.23 114.94 120.02 1w4a s ASN 234 Ca -0.03 0.01 -0.24 0.00 -1.57 0.00 0.00 52.86 51.04 1w4a s ASN 234 Cb -0.11 -2.07 -0.19 0.00 -0.02 0.00 0.00 41.25 38.85 1w4a s ASN 234 CO -0.08 0.01 0.93 -0.65 -2.57 0.00 0.00 177.10 174.75 1w4a h PRO 235 N 7.89 -0.08 -0.69 -0.60 0.11 -1.98 -3.45 132.00 133.20 1w4a h PRO 235 Ca -0.37 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.70 1w4a h PRO 235 Cb 1.18 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1w4a h PRO 235 CO 0.61 0.51 0.27 0.25 -0.21 0.00 0.00 178.00 179.43 1w4a n THR 236 N -4.81 0.00 -2.65 -1.15 -2.24 -1.26 -4.61 114.28 97.55 1w4a n THR 236 Ca -0.08 -0.07 -0.04 0.00 -2.27 0.00 0.00 64.05 61.59 1w4a n THR 236 Cb 0.31 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.61 1w4a n THR 236 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1w4a n SER 237 N 0.75 -1.09 -3.69 3.42 2.88 -1.26 -5.06 113.62 109.57 1w4a n SER 237 Ca 0.09 -1.26 -0.27 0.00 -1.33 0.00 0.00 58.87 56.09 1w4a n SER 237 Cb 0.02 0.55 -0.07 0.00 -0.75 0.00 0.00 64.21 63.97 1w4a n SER 237 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1w4a n ASN 238 N 1.83 0.22 -3.37 -3.46 3.02 -1.26 -4.45 115.26 107.78 1w4a n ASN 238 Ca 0.04 -1.72 -0.23 0.00 -0.03 0.00 0.00 54.58 52.64 1w4a n ASN 238 Cb 0.70 -0.31 -0.09 0.00 -0.61 0.00 0.00 39.78 39.47 1w4a n ASN 238 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1w4a s ASP 239 N 5.41 1.72 0.35 6.41 3.68 -1.26 -5.02 116.67 127.96 1w4a s ASP 239 Ca 0.41 -2.15 0.00 0.00 2.13 0.00 0.00 52.55 52.95 1w4a s ASP 239 Cb 0.09 0.07 0.00 0.00 -1.45 0.00 0.00 42.92 41.63 1w4a s ASP 239 CO 0.21 -0.24 0.75 -0.90 0.13 0.00 0.00 175.17 175.12 1w4a n ASP 240 N 3.78 0.00 -0.02 -0.34 5.75 -1.26 0.02 116.55 124.47 1w4a n ASP 240 Ca 0.16 0.27 -0.16 0.00 -0.01 0.00 0.00 54.79 55.05 1w4a n ASP 240 Cb 0.43 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.43 1w4a n ASP 240 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 1w4a h LYS 241 N 0.00 0.39 0.15 0.11 3.11 -1.95 -3.12 116.57 115.25 1w4a h LYS 241 Ca 0.00 -0.34 -0.36 0.00 -2.81 0.00 0.00 60.65 57.14 1w4a h LYS 241 Cb 1.50 0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 32.80 1w4a h LYS 241 CO 0.00 0.98 -1.90 0.97 -2.81 0.00 0.00 179.45 176.70 1w4a h ILE 242 N -0.09 0.75 -0.42 2.00 2.10 -0.74 -3.30 117.51 117.80 1w4a h ILE 242 Ca -0.03 -2.41 0.06 0.00 1.08 0.00 0.00 64.86 63.55 1w4a h ILE 242 Cb 1.08 2.61 -0.02 0.00 -1.09 0.00 0.00 36.82 39.40 1w4a h ILE 242 CO 0.08 0.88 0.28 1.62 -1.08 0.00 0.00 178.15 179.94 1w4a h VAL 243 N 0.09 0.96 0.00 2.19 3.04 -1.51 0.12 116.25 121.14 1w4a h VAL 243 Ca -0.39 -0.12 -0.13 0.00 -1.01 0.00 0.00 66.70 65.05 1w4a h VAL 243 Cb 2.06 0.60 -0.02 0.00 -2.01 0.00 0.00 31.29 31.92 1w4a h VAL 243 CO 0.13 0.06 -0.62 -0.33 -1.01 0.00 0.00 177.57 175.80 1w4a h GLU 244 N 0.34 0.00 0.00 4.17 4.39 -1.70 -2.56 114.58 119.22 1w4a h GLU 244 Ca 0.18 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.82 1w4a h GLU 244 Cb 0.30 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1w4a h GLU 244 CO -0.04 0.62 -0.29 1.25 -1.16 0.00 0.00 179.01 179.38 1w4a h LEU 245 N 0.00 0.00 0.19 1.33 5.85 -0.89 -1.01 115.31 120.78 1w4a h LEU 245 Ca -0.01 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.40 1w4a h LEU 245 Cb 1.43 0.00 0.03 0.00 0.37 0.00 0.00 40.66 42.49 1w4a h LEU 245 CO 0.08 0.29 -1.37 0.58 -0.34 0.00 0.00 178.44 177.68 1w4a h VAL 246 N 0.00 1.31 -0.01 1.05 2.07 -1.08 -2.44 116.25 117.15 1w4a h VAL 246 Ca -0.00 -2.67 -0.10 0.00 0.82 0.00 0.00 66.70 64.74 1w4a h VAL 246 Cb 0.77 2.92 -0.01 0.00 -1.52 0.00 0.00 31.29 33.44 1w4a h VAL 246 CO 0.04 0.80 -0.47 0.11 0.02 0.00 0.00 177.57 178.07 1w4a h LYS 247 N 0.18 0.03 0.03 1.57 1.57 -1.18 -0.15 116.57 118.62 1w4a h LYS 247 Ca -0.22 -0.01 -0.25 0.00 -1.87 0.00 0.00 60.65 58.29 1w4a h LYS 247 Cb 2.06 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.38 1w4a h LYS 247 CO 0.25 0.50 -1.05 1.49 -0.57 0.00 0.00 179.45 180.07 1w4a h GLU 248 N 0.02 0.51 -0.33 3.15 4.57 -1.23 0.15 114.58 121.43 1w4a h GLU 248 Ca -0.00 -0.60 -0.14 0.00 -1.18 0.00 0.00 59.36 57.44 1w4a h GLU 248 Cb 0.85 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.61 1w4a h GLU 248 CO 0.06 1.23 -0.35 0.00 -1.18 0.00 0.00 179.01 178.77 1w4a h ALA 249 N 0.56 0.76 -0.05 2.92 0.00 -1.26 0.41 119.26 122.59 1w4a h ALA 249 Ca -0.12 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.21 1w4a h ALA 249 Cb 1.71 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1w4a h ALA 249 CO 0.19 0.66 -0.66 0.77 0.00 0.00 0.00 179.25 180.21 1w4a h SER 250 N 0.63 0.26 0.00 0.00 0.02 -0.97 -2.25 113.55 111.23 1w4a h SER 250 Ca 0.06 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.82 1w4a h SER 250 Cb 0.89 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 1w4a h SER 250 CO 0.08 0.84 -0.16 -0.09 -1.14 0.00 0.00 176.83 176.36 1w4a h ARG 251 N 0.16 0.00 0.00 3.45 2.43 -0.76 -3.40 114.38 116.26 1w4a h ARG 251 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1w4a h ARG 251 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1w4a h ARG 251 CO 0.10 0.97 -1.45 0.43 -1.51 0.00 0.00 179.97 178.51 1w4a n SER 252 N -4.59 1.57 -0.39 -3.80 7.64 0.14 -4.61 113.62 109.59 1w4a n SER 252 Ca -0.13 -0.16 0.08 0.00 1.01 0.00 0.00 58.87 59.68 1w4a n SER 252 Cb 0.49 1.52 -0.00 0.00 -1.01 0.00 0.00 64.21 65.21 1w4a n SER 252 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1w4a n ASN 253 N -1.86 1.71 -4.77 6.43 5.03 -0.88 -4.96 115.26 115.96 1w4a n ASN 253 Ca -0.02 -1.35 -0.35 0.00 0.87 0.00 0.00 54.58 53.73 1w4a n ASN 253 Cb 0.34 0.46 -0.08 0.00 -1.02 0.00 0.00 39.78 39.48 1w4a n ASN 253 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 1w4a s SER 254 N -1.99 5.74 0.04 6.41 0.01 -1.04 -4.38 113.70 118.49 1w4a s SER 254 Ca 0.14 0.26 -0.04 0.00 1.31 0.00 0.00 55.95 57.63 1w4a s SER 254 Cb 0.14 -1.72 -0.28 0.00 0.21 0.00 0.00 66.02 64.36 1w4a s SER 254 CO 0.43 0.37 0.99 0.74 0.41 0.00 0.00 173.24 176.18 1w4a h THR 255 N 3.90 1.31 -4.05 1.44 2.02 -0.67 -3.47 112.91 113.39 1w4a h THR 255 Ca -0.52 -2.92 -0.17 0.00 0.77 0.00 0.00 66.41 63.57 1w4a h THR 255 Cb 1.20 2.85 -0.17 0.00 -1.74 0.00 0.00 68.15 70.29 1w4a h THR 255 CO 0.57 0.85 -0.70 -0.44 0.37 0.00 0.00 175.52 176.18 1w4a s SER 256 N -7.06 0.61 -0.03 4.18 0.01 -0.57 -1.62 113.70 109.22 1w4a s SER 256 Ca -0.07 -0.82 0.03 0.00 1.31 0.00 0.00 55.95 56.40 1w4a s SER 256 Cb 0.07 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.43 1w4a s SER 256 CO 0.87 -0.45 -0.11 -0.22 0.41 0.00 0.00 173.24 173.74 1w4a s LEU 257 N -2.42 1.80 -0.22 2.44 2.96 0.33 -1.78 118.68 121.79 1w4a s LEU 257 Ca 0.00 -0.22 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 1w4a s LEU 257 Cb 0.01 -0.64 0.05 0.00 0.50 0.00 0.00 46.19 46.11 1w4a s LEU 257 CO -0.05 0.08 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.28 1w4a s VAL 258 N 0.19 1.66 -0.01 1.68 1.01 0.10 -0.59 120.40 124.45 1w4a s VAL 258 Ca -0.04 -1.19 0.05 0.00 0.00 0.00 0.00 61.98 60.81 1w4a s VAL 258 Cb -0.09 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 1w4a s VAL 258 CO 0.01 0.02 -0.17 -0.51 0.00 0.00 0.00 175.10 174.45 1w4a s ILE 259 N 1.35 1.34 0.53 2.22 2.07 -0.51 -0.96 121.20 127.24 1w4a s ILE 259 Ca -0.04 -0.76 -0.20 0.00 -1.41 0.00 0.00 60.65 58.23 1w4a s ILE 259 Cb -0.18 -1.12 -0.06 0.00 0.13 0.00 0.00 42.46 41.23 1w4a s ILE 259 CO -0.07 0.35 1.16 -0.94 -1.91 0.00 0.00 174.94 173.52 1w4a s SER 260 N -0.48 5.75 0.00 4.50 1.04 -0.92 -0.77 113.70 122.82 1w4a s SER 260 Ca 0.06 2.25 0.00 0.00 0.48 0.00 0.00 55.95 58.75 1w4a s SER 260 Cb -0.07 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1w4a s SER 260 CO -0.00 -1.20 0.00 0.35 0.98 0.00 0.00 173.24 173.36 1w4a n THR 261 N -1.13 0.00 0.20 2.02 -2.24 -0.97 -4.70 114.28 107.46 1w4a n THR 261 Ca 0.11 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.95 1w4a n THR 261 Cb 0.50 -0.53 0.43 0.00 -2.10 0.00 0.00 70.33 68.63 1w4a n THR 261 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1w4a h ASP 262 N 0.00 0.00 -3.60 3.42 3.45 -1.94 -3.43 116.42 114.32 1w4a h ASP 262 Ca 0.00 0.00 -0.62 0.00 0.43 0.00 0.00 57.03 56.84 1w4a h ASP 262 Cb 0.00 0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 38.63 1w4a h ASP 262 CO 0.00 0.32 -0.34 -0.69 -1.57 0.00 0.00 179.24 176.96 1w4a s VAL 263 N -3.85 5.26 0.21 -1.35 1.01 -1.26 -5.04 120.40 115.37 1w4a s VAL 263 Ca -0.01 0.45 -0.32 0.00 0.00 0.00 0.00 61.98 62.10 1w4a s VAL 263 Cb 0.12 -3.63 -0.13 0.00 0.00 0.00 0.00 36.38 32.74 1w4a s VAL 263 CO 0.67 0.26 1.55 0.47 0.00 0.00 0.00 175.10 178.06 1w4a n ASP 264 N 4.63 3.22 0.00 3.32 10.43 -1.26 -1.19 116.55 135.70 1w4a n ASP 264 Ca -0.11 1.10 0.00 0.00 2.57 0.00 0.00 54.79 58.35 1w4a n ASP 264 Cb 0.51 -1.47 0.00 0.00 1.84 0.00 0.00 41.12 42.00 1w4a n ASP 264 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1w4a n GLY 265 N 2.98 2.03 3.80 0.44 0.00 -1.26 -4.96 105.19 108.22 1w4a n GLY 265 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1w4a n GLY 265 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1w4a s GLU 266 N -0.41 3.63 0.10 1.61 2.12 -0.34 -2.00 118.70 123.42 1w4a s GLU 266 Ca 0.00 -0.20 0.04 0.00 0.36 0.00 0.00 54.97 55.17 1w4a s GLU 266 Cb 0.00 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 1w4a s GLU 266 CO 0.00 0.61 -0.10 -1.58 -0.54 0.00 0.00 175.26 173.64 1w4a s TRP 267 N -0.54 1.09 -0.12 5.30 0.52 -0.39 -2.30 118.94 122.49 1w4a s TRP 267 Ca 0.12 -0.65 -0.01 0.00 0.02 0.00 0.00 56.10 55.58 1w4a s TRP 267 Cb -0.12 -0.59 -0.02 0.00 -1.15 0.00 0.00 33.47 31.59 1w4a s TRP 267 CO 0.02 0.01 -0.09 -0.65 0.02 0.00 0.00 176.95 176.26 1w4a s GLN 268 N -2.78 3.31 -0.19 4.98 -0.21 0.05 -0.41 119.66 124.42 1w4a s GLN 268 Ca 0.06 -0.60 -0.05 0.00 0.02 0.00 0.00 55.36 54.79 1w4a s GLN 268 Cb -0.03 -2.70 -0.02 0.00 1.00 0.00 0.00 33.01 31.25 1w4a s GLN 268 CO 0.00 0.33 -0.01 0.08 -2.12 0.00 0.00 175.29 173.57 1w4a s VAL 269 N 0.07 3.90 -0.18 1.09 1.01 0.63 -1.42 120.40 125.49 1w4a s VAL 269 Ca -0.03 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1w4a s VAL 269 Cb -0.14 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.51 1w4a s VAL 269 CO 0.04 0.45 -0.19 -0.76 0.00 0.00 0.00 175.10 174.63 1w4a s LEU 270 N 0.83 2.20 -0.10 3.92 1.02 0.24 -1.82 118.68 124.98 1w4a s LEU 270 Ca 0.00 -0.62 0.03 0.00 0.02 0.00 0.00 54.13 53.56 1w4a s LEU 270 Cb -0.14 -1.50 0.01 0.00 0.02 0.00 0.00 46.19 44.57 1w4a s LEU 270 CO 0.02 0.01 -0.20 -0.89 0.02 0.00 0.00 176.35 175.31 1w4a s THR 271 N 1.24 1.75 -0.16 5.49 2.01 0.59 -0.51 115.64 126.05 1w4a s THR 271 Ca 0.04 -0.83 -0.26 0.00 0.31 0.00 0.00 61.69 60.94 1w4a s THR 271 Cb -0.13 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.82 1w4a s THR 271 CO -0.11 0.49 0.88 -0.13 -0.69 0.00 0.00 174.62 175.06 1w4a s ARG 272 N 0.56 4.31 0.00 4.92 0.52 -0.64 -0.66 118.95 127.96 1w4a s ARG 272 Ca -0.15 1.11 0.26 0.00 -0.52 0.00 0.00 55.73 56.43 1w4a s ARG 272 Cb -0.17 -3.57 0.73 0.00 0.52 0.00 0.00 34.95 32.46 1w4a s ARG 272 CO 0.05 -0.35 1.56 0.25 0.02 0.00 0.00 175.30 176.82 1w4a n THR 273 N 4.76 0.00 0.00 0.02 -2.24 -1.23 -4.82 114.28 110.76 1w4a n THR 273 Ca 0.06 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1w4a n THR 273 Cb 0.48 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 1w4a n THR 273 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w4a n GLY 274 N 1.29 1.82 3.67 3.38 0.00 -1.26 -4.20 105.19 109.89 1w4a n GLY 274 Ca 0.15 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 1w4a n GLY 274 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1w4a s GLU 275 N -1.93 4.14 0.00 1.61 2.12 0.34 -1.67 118.70 123.31 1w4a s GLU 275 Ca 0.00 2.58 0.00 0.00 0.36 0.00 0.00 54.97 57.91 1w4a s GLU 275 Cb 0.00 -3.93 0.00 0.00 0.26 0.00 0.00 34.13 30.46 1w4a s GLU 275 CO 0.00 -0.90 0.00 0.41 -0.54 0.00 0.00 175.26 174.23 1w4a n GLY 276 N 4.40 0.42 3.93 -1.50 0.00 -1.26 -4.99 105.19 106.19 1w4a n GLY 276 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1w4a n GLY 276 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1w4a s LEU 277 N 0.00 3.47 0.57 0.99 1.43 -0.67 -5.06 118.68 119.42 1w4a s LEU 277 Ca 0.00 0.54 -0.17 0.00 -1.03 0.00 0.00 54.13 53.47 1w4a s LEU 277 Cb 0.00 -3.41 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 1w4a s LEU 277 CO 0.00 -0.84 1.08 -1.10 0.23 0.00 0.00 176.35 175.72 1w4a s GLN 278 N -4.76 3.33 0.21 1.70 -0.21 -1.26 -4.68 119.66 113.98 1w4a s GLN 278 Ca 0.50 1.36 -0.18 0.00 0.02 0.00 0.00 55.36 57.06 1w4a s GLN 278 Cb -0.10 -2.02 -0.08 0.00 1.00 0.00 0.00 33.01 31.80 1w4a s GLN 278 CO 0.42 -0.82 0.68 1.03 -2.12 0.00 0.00 175.29 174.47 1w4a s ARG 279 N -3.73 4.16 0.22 2.91 0.52 -1.26 -3.56 118.95 118.21 1w4a s ARG 279 Ca 0.67 0.76 0.08 0.00 -0.52 0.00 0.00 55.73 56.72 1w4a s ARG 279 Cb -0.19 -2.86 -0.04 0.00 0.52 0.00 0.00 34.95 32.38 1w4a s ARG 279 CO 0.32 0.40 0.01 -0.51 0.02 0.00 0.00 175.30 175.54 1w4a s LEU 280 N -2.04 3.30 -0.01 2.53 1.43 0.16 -1.76 118.68 122.30 1w4a s LEU 280 Ca 0.42 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 53.01 1w4a s LEU 280 Cb -0.16 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1w4a s LEU 280 CO 0.20 0.04 0.05 0.28 0.23 0.00 0.00 176.35 177.16 1w4a s THR 281 N -2.00 0.03 0.17 5.49 -1.32 0.18 -0.30 115.64 117.89 1w4a s THR 281 Ca 0.29 -0.26 -0.17 0.00 -1.21 0.00 0.00 61.69 60.34 1w4a s THR 281 Cb -0.08 -0.17 0.03 0.00 -1.51 0.00 0.00 72.50 70.78 1w4a s THR 281 CO 0.19 -0.14 0.48 -1.38 -2.21 0.00 0.00 174.62 171.56 1w4a s HIS 282 N -0.43 -0.17 0.23 9.09 -3.43 -0.75 -4.24 115.29 115.59 1w4a s HIS 282 Ca -0.05 -0.16 0.07 0.00 -0.80 0.00 0.00 55.06 54.13 1w4a s HIS 282 Cb -0.03 0.34 -0.04 0.00 -1.43 0.00 0.00 32.58 31.42 1w4a s HIS 282 CO 0.00 -0.83 0.12 0.99 -2.00 0.00 0.00 174.74 173.03 1w4a s THR 283 N -3.84 4.17 -0.03 -5.38 2.01 -1.26 -0.27 115.64 111.03 1w4a s THR 283 Ca 0.07 -1.46 0.03 0.00 0.31 0.00 0.00 61.69 60.64 1w4a s THR 283 Cb 0.00 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.31 1w4a s THR 283 CO -0.07 -0.29 -0.11 -0.76 -0.69 0.00 0.00 174.62 172.71 1w4a s LEU 284 N -3.58 1.78 0.02 4.42 1.02 0.45 -4.94 118.68 117.85 1w4a s LEU 284 Ca 0.32 -0.22 0.03 0.00 0.02 0.00 0.00 54.13 54.27 1w4a s LEU 284 Cb -0.08 -0.65 -0.04 0.00 0.02 0.00 0.00 46.19 45.45 1w4a s LEU 284 CO 0.23 0.07 -0.02 -1.10 0.02 0.00 0.00 176.35 175.56 1w4a s GLN 285 N 0.23 2.68 0.11 1.70 -1.52 -1.26 -1.26 119.66 120.33 1w4a s GLN 285 Ca -0.04 -0.68 -0.05 0.00 -1.95 0.00 0.00 55.36 52.64 1w4a s GLN 285 Cb -0.10 -2.60 -0.02 0.00 -0.22 0.00 0.00 33.01 30.07 1w4a s GLN 285 CO 0.01 0.60 0.12 0.95 -0.25 0.00 0.00 175.29 176.73 1w4a s THR 286 N -1.10 0.13 0.06 -0.19 -4.23 -0.85 -0.61 115.64 108.86 1w4a s THR 286 Ca 0.20 -1.59 -0.14 0.00 -1.18 0.00 0.00 61.69 58.98 1w4a s THR 286 Cb -0.11 -1.70 0.02 0.00 1.34 0.00 0.00 72.50 72.04 1w4a s THR 286 CO 0.11 -0.60 0.32 -0.94 -0.54 0.00 0.00 174.62 172.97 1w4a s SER 287 N -2.95 -0.13 0.01 3.99 1.04 -0.48 -4.80 113.70 110.38 1w4a s SER 287 Ca 0.14 -0.24 -0.09 0.00 0.48 0.00 0.00 55.95 56.23 1w4a s SER 287 Cb 0.06 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 66.51 1w4a s SER 287 CO -0.04 -0.67 0.33 -0.31 0.98 0.00 0.00 173.24 173.52 1w4a s TYR 288 N -2.89 3.61 0.00 5.02 2.02 -1.26 -0.76 117.35 123.10 1w4a s TYR 288 Ca -0.03 0.73 0.00 0.00 -0.37 0.00 0.00 57.07 57.40 1w4a s TYR 288 Cb 0.00 -2.10 0.00 0.00 -0.40 0.00 0.00 41.96 39.46 1w4a s TYR 288 CO -0.05 0.60 0.00 0.41 -1.57 0.00 0.00 175.55 174.94 1w4a n GLY 289 N 1.29 3.44 3.83 0.71 0.00 0.30 -4.97 105.19 109.79 1w4a n GLY 289 Ca -0.12 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 43.86 1w4a n GLY 289 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1w4a s GLU 290 N 4.63 3.99 -1.65 1.61 2.02 -1.26 -4.02 118.70 124.01 1w4a s GLU 290 Ca 0.00 1.08 -0.16 0.00 0.02 0.00 0.00 54.97 55.91 1w4a s GLU 290 Cb 0.00 -2.14 0.13 0.00 0.10 0.00 0.00 34.13 32.22 1w4a s GLU 290 CO 0.00 -0.24 0.82 0.72 0.02 0.00 0.00 175.26 176.58 1w4a n HIS 291 N -1.19 -1.87 -1.92 1.61 8.25 -1.26 -1.40 115.22 117.43 1w4a n HIS 291 Ca 0.07 0.82 -0.20 0.00 -0.26 0.00 0.00 57.72 58.16 1w4a n HIS 291 Cb 0.54 -3.24 -0.05 0.00 1.12 0.00 0.00 29.99 28.36 1w4a n HIS 291 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1w4a n SER 292 N -2.72 -5.53 -4.66 0.41 7.64 -1.26 -4.95 113.62 102.56 1w4a n SER 292 Ca 0.05 0.27 -0.43 0.00 1.01 0.00 0.00 58.87 59.77 1w4a n SER 292 Cb 0.51 -4.68 -0.02 0.00 -1.01 0.00 0.00 64.21 59.01 1w4a n SER 292 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1w4a s VAL 293 N -2.85 4.67 0.10 0.44 1.01 -0.49 -4.86 120.40 118.42 1w4a s VAL 293 Ca 0.00 2.00 -0.09 0.00 0.00 0.00 0.00 61.98 63.89 1w4a s VAL 293 Cb 0.00 -4.29 -0.06 0.00 0.00 0.00 0.00 36.38 32.03 1w4a s VAL 293 CO 0.00 -0.15 0.41 -0.22 0.00 0.00 0.00 175.10 175.14 1w4a s LEU 294 N 3.02 4.32 -0.07 3.92 2.96 -1.26 -0.54 118.68 131.03 1w4a s LEU 294 Ca 0.45 0.76 0.05 0.00 -0.22 0.00 0.00 54.13 55.18 1w4a s LEU 294 Cb -0.16 -3.09 -0.00 0.00 0.50 0.00 0.00 46.19 43.44 1w4a s LEU 294 CO 0.09 0.13 -0.23 -0.89 -1.32 0.00 0.00 176.35 174.13 1w4a s THR 295 N -1.47 1.89 -0.26 3.68 2.01 0.06 -4.68 115.64 116.88 1w4a s THR 295 Ca 0.35 -0.95 -0.16 0.00 0.31 0.00 0.00 61.69 61.24 1w4a s THR 295 Cb -0.13 -1.62 -0.03 0.00 0.01 0.00 0.00 72.50 70.72 1w4a s THR 295 CO 0.19 0.53 0.43 -0.63 -0.69 0.00 0.00 174.62 174.45 1w4a s ILE 296 N 0.10 5.14 0.58 1.82 1.01 -1.26 -1.38 121.20 127.21 1w4a s ILE 296 Ca -0.10 0.71 -0.19 0.00 0.00 0.00 0.00 60.65 61.07 1w4a s ILE 296 Cb -0.15 -3.75 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1w4a s ILE 296 CO 0.05 0.14 1.18 -1.00 0.00 0.00 0.00 174.94 175.31 1w4a s HIS 297 N 2.05 2.49 0.00 3.97 3.76 0.22 -4.99 115.29 122.79 1w4a s HIS 297 Ca 0.18 1.53 0.00 0.00 -0.15 0.00 0.00 55.06 56.62 1w4a s HIS 297 Cb -0.16 -3.41 0.00 0.00 1.11 0.00 0.00 32.58 30.13 1w4a s HIS 297 CO 0.09 -1.97 0.00 2.41 -0.85 0.00 0.00 174.74 174.42 1w4a n THR 298 N -1.49 0.00 -1.43 1.30 -1.04 -1.26 -4.64 114.28 105.72 1w4a n THR 298 Ca 0.13 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.89 1w4a n THR 298 Cb 0.50 -0.44 -0.20 0.00 -1.82 0.00 0.00 70.33 68.36 1w4a n THR 298 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1w4a n SER 299 N -0.15 -1.07 0.18 8.00 2.88 -1.26 -4.91 113.62 117.29 1w4a n SER 299 Ca 0.00 -0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.16 1w4a n SER 299 Cb 0.00 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 1w4a n SER 299 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 1w4a n GLN 306 N 5.80 0.00 -2.95 -1.46 7.27 -1.26 -5.07 117.38 119.70 1w4a n GLN 306 Ca 0.64 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 57.34 1w4a n GLN 306 Cb 0.11 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.70 1w4a n GLN 306 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1w4a s ALA 307 N -2.00 3.37 -0.09 1.69 0.00 -1.26 0.47 121.76 123.94 1w4a s ALA 307 Ca 0.00 0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.30 1w4a s ALA 307 Cb 0.00 -2.99 0.03 0.00 0.00 0.00 0.00 23.12 20.16 1w4a s ALA 307 CO 0.00 0.27 -0.00 -1.54 0.00 0.00 0.00 175.76 174.49 1w4a s SER 308 N -1.43 1.78 1.07 0.00 1.04 -0.72 -4.86 113.70 110.57 1w4a s SER 308 Ca 0.42 -0.18 -0.12 0.00 0.48 0.00 0.00 55.95 56.55 1w4a s SER 308 Cb -0.20 -0.49 0.21 0.00 0.10 0.00 0.00 66.02 65.65 1w4a s SER 308 CO 0.24 -0.20 0.94 0.61 0.98 0.00 0.00 173.24 175.82 1w4a n GLY 309 N 5.12 -1.49 0.30 7.32 0.00 -1.26 -4.48 105.19 110.70 1w4a n GLY 309 Ca -0.08 -0.96 0.01 0.00 0.00 0.00 0.00 46.02 44.99 1w4a n GLY 309 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1w4a h LYS 310 N -2.31 0.81 -0.61 1.61 1.63 -2.00 -2.51 116.57 113.19 1w4a h LYS 310 Ca -0.54 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.17 1w4a h LYS 310 Cb 1.31 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 32.73 1w4a h LYS 310 CO 0.45 0.54 0.21 0.00 -3.45 0.00 0.00 179.45 177.19 1w4a h ALA 311 N 1.41 0.80 -0.55 5.00 0.00 -2.00 -2.29 119.26 121.63 1w4a h ALA 311 Ca 0.36 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1w4a h ALA 311 Cb 0.24 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1w4a h ALA 311 CO -0.20 0.45 0.28 0.82 0.00 0.00 0.00 179.25 180.61 1w4a h ILE 312 N 0.87 1.18 0.02 0.00 2.04 -1.83 -1.47 117.51 118.31 1w4a h ILE 312 Ca 0.20 -0.46 -0.00 0.00 1.00 0.00 0.00 64.86 65.60 1w4a h ILE 312 Cb 0.26 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1w4a h ILE 312 CO -0.01 0.20 -0.01 -0.61 0.00 0.00 0.00 178.15 177.72 1w4a h GLN 313 N 0.77 -0.02 0.00 2.37 -0.00 -1.01 -1.97 115.11 115.24 1w4a h GLN 313 Ca 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.83 1w4a h GLN 313 Cb 0.05 0.01 -0.00 0.00 0.00 0.00 0.00 27.48 27.53 1w4a h GLN 313 CO -0.03 0.07 -0.09 1.15 0.00 0.00 0.00 178.83 179.93 1w4a h THR 314 N -0.11 0.28 -0.46 2.39 2.02 -1.05 -2.03 112.91 113.95 1w4a h THR 314 Ca -0.00 -0.63 -0.07 0.00 0.77 0.00 0.00 66.41 66.47 1w4a h THR 314 Cb 0.11 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 1w4a h THR 314 CO 0.00 0.09 0.01 0.58 0.37 0.00 0.00 175.52 176.57 1w4a h VAL 315 N 0.00 1.26 -0.22 3.16 2.07 -0.57 -2.06 116.25 119.90 1w4a h VAL 315 Ca -0.00 -1.04 -0.07 0.00 0.82 0.00 0.00 66.70 66.41 1w4a h VAL 315 Cb 0.48 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1w4a h VAL 315 CO 0.01 0.36 -0.17 0.40 0.02 0.00 0.00 177.57 178.20 1w4a h ILE 316 N 0.66 1.22 0.00 4.57 5.03 -0.73 -2.45 117.51 125.81 1w4a h ILE 316 Ca 0.13 -1.01 -0.04 0.00 -0.12 0.00 0.00 64.86 63.83 1w4a h ILE 316 Cb 0.49 1.24 -0.01 0.00 -3.03 0.00 0.00 36.82 35.52 1w4a h ILE 316 CO 0.02 0.32 -0.18 0.11 -0.68 0.00 0.00 178.15 177.74 1w4a h LYS 317 N 0.34 0.00 -0.30 2.37 1.79 -0.81 -2.66 116.57 117.30 1w4a h LYS 317 Ca 0.06 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.46 1w4a h LYS 317 Cb 0.50 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 1w4a h LYS 317 CO 0.03 0.18 -0.13 -0.91 -1.08 0.00 0.00 179.45 177.55 1w4a h ASN 318 N 0.00 0.50 -1.71 0.86 4.21 -0.88 -3.01 115.58 115.55 1w4a h ASN 318 Ca -0.00 -0.13 0.50 0.00 1.21 0.00 0.00 56.30 57.87 1w4a h ASN 318 Cb 0.46 -0.13 -0.07 0.00 -1.12 0.00 0.00 38.32 37.45 1w4a h ASN 318 CO 0.02 0.66 1.23 0.44 -1.29 0.00 0.00 177.43 178.49 1w4a h ASP 319 N 0.48 0.00 -1.38 5.81 5.19 -1.57 -2.77 116.42 122.19 1w4a h ASP 319 Ca 0.09 0.00 -0.72 0.00 -0.62 0.00 0.00 57.03 55.78 1w4a h ASP 319 Cb 0.51 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 39.86 1w4a h ASP 319 CO 0.03 -0.00 1.83 -0.62 -3.12 0.00 0.00 179.24 177.36 1w4a n GLU 320 N -4.03 4.40 0.00 3.56 1.02 -1.14 -4.25 120.64 120.20 1w4a n GLU 320 Ca 0.38 -3.54 0.00 0.00 -0.02 0.00 0.00 57.16 53.98 1w4a n GLU 320 Cb 1.76 -2.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 1w4a n GLU 320 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1w4a n LEU 321 N 1.19 0.00 0.00 -4.62 4.77 -1.04 -4.96 117.00 112.34 1w4a n LEU 321 Ca 0.57 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1w4a n LEU 321 Cb 0.29 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1w4a n LEU 321 CO 0.60 -0.35 0.00 1.21 -1.33 0.00 0.00 177.39 177.52