#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bhw h ARG 5 N 0.00 0.79 -5.79 -0.52 2.43 -1.94 -3.44 114.38 105.91 3bhw h ARG 5 Ca 0.00 -0.24 -0.67 0.00 -0.81 0.00 0.00 59.98 58.26 3bhw h ARG 5 Cb 0.00 -0.08 -0.21 0.00 -0.42 0.00 0.00 29.97 29.26 3bhw h ARG 5 CO 0.00 0.84 -0.70 0.71 -1.51 0.00 0.00 179.97 179.31 3bhw s TYR 6 N -5.06 2.94 0.26 2.20 2.02 -1.26 -4.65 117.35 113.80 3bhw s TYR 6 Ca -0.13 -0.17 0.03 0.00 -0.37 0.00 0.00 57.07 56.44 3bhw s TYR 6 Cb 0.11 -1.80 -0.05 0.00 -0.40 0.00 0.00 41.96 39.82 3bhw s TYR 6 CO 0.81 0.15 0.03 0.15 -1.57 0.00 0.00 175.55 175.11 3bhw s LYS 7 N -0.31 1.43 0.00 -0.62 1.02 -1.26 -4.71 119.74 115.28 3bhw s LYS 7 Ca 0.04 -1.75 0.23 0.00 0.02 0.00 0.00 55.97 54.51 3bhw s LYS 7 Cb -0.13 -0.63 0.62 0.00 -0.52 0.00 0.00 37.83 37.18 3bhw s LYS 7 CO 0.02 -0.15 1.52 0.00 -0.92 0.00 0.00 175.35 175.83 3bhw n ALA 8 N -0.49 2.39 -0.09 5.17 0.00 -1.26 -4.64 120.51 121.58 3bhw n ALA 8 Ca -0.04 -1.25 -0.07 0.00 0.00 0.00 0.00 53.44 52.08 3bhw n ALA 8 Cb 0.65 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 19.16 3bhw n ALA 8 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3bhw h ASP 9 N 4.37 -0.87 -1.39 0.00 5.19 -1.98 -2.05 116.42 119.69 3bhw h ASP 9 Ca 0.00 0.16 0.42 0.00 -0.62 0.00 0.00 57.03 56.99 3bhw h ASP 9 Cb 0.99 0.42 -0.07 0.00 0.18 0.00 0.00 39.33 40.85 3bhw h ASP 9 CO 0.00 -0.29 0.98 0.00 -3.12 0.00 0.00 179.24 176.81 3bhw n ILE 10 N -5.40 -0.05 0.00 0.35 3.06 -1.26 -0.23 119.36 115.83 3bhw n ILE 10 Ca 0.01 1.21 0.00 0.00 -2.50 0.00 0.00 62.75 61.46 3bhw n ILE 10 Cb 0.31 -2.00 0.00 0.00 0.54 0.00 0.00 39.64 38.49 3bhw n ILE 10 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3bhw n GLY 11 N -1.62 -0.30 0.15 4.50 0.00 -0.77 -2.34 105.19 104.82 3bhw n GLY 11 Ca 0.33 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.37 3bhw n GLY 11 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3bhw h GLY 12 N 0.00 0.00 0.00 -0.02 0.00 -0.83 -3.48 103.07 98.74 3bhw h GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3bhw h GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3bhw n GLY 13 N 0.30 1.32 0.00 4.60 0.00 -0.99 -4.46 105.19 105.97 3bhw n GLY 13 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3bhw n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bhw n SER 14 N 0.00 0.00 0.09 1.61 3.41 -1.26 -4.94 113.62 112.53 3bhw n SER 14 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.55 3bhw n SER 14 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 3bhw n SER 14 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3bhw h LEU 15 N 0.00 0.12 -3.53 1.04 3.38 -1.91 -3.48 115.31 110.92 3bhw h LEU 15 Ca 0.00 -0.09 -0.44 0.00 0.09 0.00 0.00 57.88 57.43 3bhw h LEU 15 Cb 0.00 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.72 3bhw h LEU 15 CO 0.00 0.90 -0.91 0.29 0.09 0.00 0.00 178.44 178.81 3bhw n LYS 16 N -3.61 -1.18 -0.04 1.13 5.02 -1.26 -4.51 118.16 113.71 3bhw n LYS 16 Ca -0.02 0.66 -0.08 0.00 -2.02 0.00 0.00 58.31 56.85 3bhw n LYS 16 Cb 0.79 -3.07 -0.02 0.00 -0.02 0.00 0.00 35.03 32.71 3bhw n LYS 16 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3bhw h LEU 17 N -0.95 -0.40 -1.10 -0.35 5.85 -1.98 0.88 115.31 117.26 3bhw h LEU 17 Ca -0.58 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.23 3bhw h LEU 17 Cb 1.34 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.55 3bhw h LEU 17 CO 0.41 -0.16 0.51 -0.65 -0.34 0.00 0.00 178.44 178.21 3bhw h PRO 18 N -0.11 1.12 -0.38 5.25 0.11 -1.99 0.20 132.00 136.20 3bhw h PRO 18 Ca 0.12 -0.09 -0.15 0.00 0.11 0.00 0.00 66.00 65.98 3bhw h PRO 18 Cb 0.28 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 3bhw h PRO 18 CO -0.28 0.78 -0.35 0.93 -0.21 0.00 0.00 178.00 178.87 3bhw h GLU 19 N 1.14 0.89 -0.80 1.05 5.08 -1.79 -2.15 114.58 118.01 3bhw h GLU 19 Ca 0.30 -0.45 0.07 0.00 -1.00 0.00 0.00 59.36 58.28 3bhw h GLU 19 Cb -0.06 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.13 3bhw h GLU 19 CO -0.06 1.10 0.47 0.77 -1.00 0.00 0.00 179.01 180.29 3bhw h SER 20 N 0.74 0.72 -0.26 1.42 0.02 -0.17 -0.81 113.55 115.21 3bhw h SER 20 Ca 0.07 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 3bhw h SER 20 Cb 0.93 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.32 3bhw h SER 20 CO 0.09 0.45 0.08 0.03 -1.14 0.00 0.00 176.83 176.34 3bhw h ARG 21 N 0.85 0.19 -0.46 3.45 3.08 -0.35 0.15 114.38 121.28 3bhw h ARG 21 Ca 0.36 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.43 3bhw h ARG 21 Cb 0.22 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 3bhw h ARG 21 CO -0.19 0.12 0.23 0.82 -1.07 0.00 0.00 179.97 179.88 3bhw h ILE 22 N 0.19 0.97 -0.51 2.04 2.04 -0.90 -1.56 117.51 119.78 3bhw h ILE 22 Ca 0.12 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 3bhw h ILE 22 Cb 0.10 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3bhw h ILE 22 CO -0.13 0.08 0.14 0.40 0.00 0.00 0.00 178.15 178.65 3bhw h ILE 23 N 0.46 1.24 -0.98 -0.67 2.04 -0.90 -2.12 117.51 116.57 3bhw h ILE 23 Ca 0.20 -0.81 0.19 0.00 1.00 0.00 0.00 64.86 65.44 3bhw h ILE 23 Cb 0.10 0.79 -0.09 0.00 -0.74 0.00 0.00 36.82 36.88 3bhw h ILE 23 CO -0.14 0.30 0.61 0.00 0.00 0.00 0.00 178.15 178.92 3bhw h ALA 24 N 1.01 1.82 -0.31 1.87 0.00 -0.25 -0.16 119.26 123.24 3bhw h ALA 24 Ca 0.16 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 3bhw h ALA 24 Cb 0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3bhw h ALA 24 CO -0.00 -0.16 -0.24 0.78 0.00 0.00 0.00 179.25 179.64 3bhw h GLY 25 N 0.68 0.77 0.67 0.00 0.00 -0.82 -1.45 103.07 102.92 3bhw h GLY 25 Ca 0.54 -0.74 0.02 0.00 0.00 0.00 0.00 47.33 47.15 3bhw h GLY 25 CO -0.31 0.67 -0.12 1.41 0.00 0.00 0.00 176.54 178.20 3bhw h LEU 26 N 0.46 -0.34 -0.91 3.11 3.38 -0.68 0.16 115.31 120.48 3bhw h LEU 26 Ca 0.06 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.15 3bhw h LEU 26 Cb 0.79 0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.63 3bhw h LEU 26 CO 0.06 -0.16 0.57 -0.07 0.09 0.00 0.00 178.44 178.93 3bhw h LEU 27 N -0.18 0.89 -0.57 1.67 3.38 -1.06 -0.74 115.31 118.70 3bhw h LEU 27 Ca 0.05 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 3bhw h LEU 27 Cb 0.25 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3bhw h LEU 27 CO -0.14 0.56 -0.23 -0.07 0.09 0.00 0.00 178.44 178.65 3bhw h LEU 28 N 1.02 0.92 -1.03 1.67 3.38 -0.82 -2.64 115.31 117.81 3bhw h LEU 28 Ca 0.40 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3bhw h LEU 28 Cb 0.21 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3bhw h LEU 28 CO -0.19 1.11 0.08 -0.33 0.09 0.00 0.00 178.44 179.21 3bhw h GLU 29 N 0.77 0.78 0.00 1.13 5.08 -0.64 -3.49 114.58 118.21 3bhw h GLU 29 Ca 0.10 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3bhw h GLU 29 Cb 0.79 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3bhw h GLU 29 CO 0.07 0.73 0.00 0.41 -1.00 0.00 0.00 179.01 179.22 3bhw n GLY 30 N -0.81 1.62 2.83 -3.84 0.00 -0.31 -5.11 105.19 99.57 3bhw n GLY 30 Ca 0.03 -1.10 -0.26 0.00 0.00 0.00 0.00 46.02 44.69 3bhw n GLY 30 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bhw s VAL 31 N 0.00 0.79 1.03 1.61 -7.23 -1.24 -4.90 120.40 110.46 3bhw s VAL 31 Ca 0.00 -0.33 -0.14 0.00 -1.81 0.00 0.00 61.98 59.69 3bhw s VAL 31 Cb 0.00 -0.98 0.20 0.00 0.56 0.00 0.00 36.38 36.16 3bhw s VAL 31 CO 0.00 0.16 1.12 0.42 -0.31 0.00 0.00 175.10 176.50 3bhw s THR 32 N 1.78 1.90 0.42 5.32 -4.23 -1.26 -4.78 115.64 114.79 3bhw s THR 32 Ca 0.03 0.00 0.10 0.00 -1.18 0.00 0.00 61.69 60.63 3bhw s THR 32 Cb -0.14 -2.59 0.21 0.00 1.34 0.00 0.00 72.50 71.32 3bhw s THR 32 CO -0.07 0.00 2.00 -0.33 -0.54 0.00 0.00 174.62 175.68 3bhw h GLU 33 N -1.96 0.30 -0.27 3.99 5.08 -2.00 0.50 114.58 120.22 3bhw h GLU 33 Ca -0.51 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 57.68 3bhw h GLU 33 Cb 1.32 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 3bhw h GLU 33 CO 0.52 0.31 -0.33 0.22 -1.00 0.00 0.00 179.01 178.73 3bhw h ASP 34 N 0.30 0.76 0.16 1.42 1.82 -1.99 0.54 116.42 119.44 3bhw h ASP 34 Ca 0.07 -0.49 -0.14 0.00 -0.39 0.00 0.00 57.03 56.08 3bhw h ASP 34 Cb 0.17 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 39.95 3bhw h ASP 34 CO 0.00 1.10 -0.51 1.56 -1.61 0.00 0.00 179.24 179.79 3bhw h GLN 35 N 0.44 0.39 -0.05 0.28 4.20 -1.84 -1.07 115.11 117.46 3bhw h GLN 35 Ca 0.04 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 3bhw h GLN 35 Cb 0.91 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.71 3bhw h GLN 35 CO 0.08 0.81 -0.00 2.35 -0.67 0.00 0.00 178.83 181.39 3bhw h TRP 36 N 0.31 0.11 -0.73 2.96 2.91 -0.72 0.14 115.95 120.92 3bhw h TRP 36 Ca 0.01 -0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.03 3bhw h TRP 36 Cb 1.00 -0.03 -0.04 0.00 -0.51 0.00 0.00 29.16 29.58 3bhw h TRP 36 CO 0.03 0.39 0.48 0.00 -1.03 0.00 0.00 178.44 178.31 3bhw h ARG 37 N -0.21 0.94 -0.26 2.65 3.08 -0.87 -0.94 114.38 118.77 3bhw h ARG 37 Ca 0.01 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3bhw h ARG 37 Cb 0.35 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3bhw h ARG 37 CO 0.00 0.63 0.09 0.45 -1.07 0.00 0.00 179.97 180.07 3bhw h HIS 38 N 0.97 0.42 -0.68 3.04 3.86 -0.86 -0.02 115.15 121.87 3bhw h HIS 38 Ca 0.27 -0.04 0.09 0.00 -1.16 0.00 0.00 60.37 59.54 3bhw h HIS 38 Cb -0.08 -0.12 -0.07 0.00 1.06 0.00 0.00 27.41 28.19 3bhw h HIS 38 CO -0.03 0.45 0.32 0.00 0.86 0.00 0.00 177.93 179.53 3bhw h ALA 39 N 0.92 0.93 0.10 2.45 0.00 -0.44 0.12 119.26 123.34 3bhw h ALA 39 Ca 0.08 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 3bhw h ALA 39 Cb 0.23 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.01 3bhw h ALA 39 CO -0.00 -0.09 -0.59 0.82 0.00 0.00 0.00 179.25 179.38 3bhw h ILE 40 N 0.55 1.58 0.00 0.00 1.08 -0.92 -1.43 117.51 118.38 3bhw h ILE 40 Ca 0.34 -2.48 -0.09 0.00 -0.39 0.00 0.00 64.86 62.24 3bhw h ILE 40 Cb 0.38 3.25 -0.02 0.00 -3.07 0.00 0.00 36.82 37.35 3bhw h ILE 40 CO -0.28 0.68 -2.03 -1.84 -0.69 0.00 0.00 178.15 174.00 3bhw n GLU 41 N -4.26 0.66 -0.07 2.37 0.28 -0.05 -3.76 120.64 115.82 3bhw n GLU 41 Ca -0.13 -0.13 -0.10 0.00 -0.16 0.00 0.00 57.16 56.64 3bhw n GLU 41 Cb 0.73 -1.54 -0.03 0.00 1.43 0.00 0.00 31.44 32.02 3bhw n GLU 41 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 3bhw n VAL 42 N -2.42 1.37 0.22 3.84 0.31 -0.10 -4.52 118.33 117.03 3bhw n VAL 42 Ca -0.11 0.09 0.07 0.00 -0.01 0.00 0.00 64.34 64.38 3bhw n VAL 42 Cb 0.72 -2.08 0.49 0.00 -0.91 0.00 0.00 33.84 32.06 3bhw n VAL 42 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3bhw h GLU 43 N -0.76 0.00 -5.44 5.55 5.08 -0.95 -3.48 114.58 114.58 3bhw h GLU 43 Ca -0.12 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.96 3bhw h GLU 43 Cb 0.92 0.00 0.18 0.00 0.50 0.00 0.00 28.75 30.35 3bhw h GLU 43 CO -0.07 0.27 -0.80 -1.71 -1.00 0.00 0.00 179.01 175.70 3bhw n ASN 44 N -3.79 -4.63 0.30 1.42 5.15 -0.73 -4.89 115.26 108.08 3bhw n ASN 44 Ca -0.01 -0.65 0.17 0.00 -0.60 0.00 0.00 54.58 53.48 3bhw n ASN 44 Cb 0.37 -5.04 0.93 0.00 -0.53 0.00 0.00 39.78 35.51 3bhw n ASN 44 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 3bhw h VAL 45 N -1.38 0.36 -0.10 3.44 -1.51 -1.48 -0.91 116.25 114.67 3bhw h VAL 45 Ca -0.58 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 3bhw h VAL 45 Cb 1.31 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.60 3bhw h VAL 45 CO 0.45 0.03 0.00 0.18 -1.23 0.00 0.00 177.57 177.00 3bhw n LEU 46 N -3.54 1.95 -3.45 4.19 4.77 -1.26 -4.96 117.00 114.70 3bhw n LEU 46 Ca -0.02 -0.73 -0.25 0.00 -0.03 0.00 0.00 56.01 54.98 3bhw n LEU 46 Cb 0.14 -0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.22 3bhw n LEU 46 CO 0.26 0.36 0.13 0.00 -1.33 0.00 0.00 177.39 176.81 3bhw n GLN 47 N 0.52 -6.35 -2.02 3.23 6.02 -0.35 -4.96 117.38 113.47 3bhw n GLN 47 Ca 0.17 0.80 -0.37 0.00 -0.01 0.00 0.00 57.00 57.59 3bhw n GLN 47 Cb 0.41 -5.75 0.02 0.00 1.02 0.00 0.00 30.24 25.94 3bhw n GLN 47 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3bhw s ARG 48 N -6.16 3.32 0.00 -1.09 1.81 -1.26 -5.18 118.95 110.38 3bhw s ARG 48 Ca 0.50 1.96 0.20 0.00 -1.72 0.00 0.00 55.73 56.67 3bhw s ARG 48 Cb -0.23 -2.22 0.94 0.00 -0.45 0.00 0.00 34.95 32.99 3bhw s ARG 48 CO 0.62 -0.97 1.63 0.54 -0.68 0.00 0.00 175.30 176.44 3bhw n ARG 49 N -0.99 0.16 0.00 3.54 1.74 -1.26 -5.09 116.66 114.76 3bhw n ARG 49 Ca 0.10 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 3bhw n ARG 49 Cb 0.47 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 3bhw n ARG 49 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3bhw n LYS 55 N -1.38 0.00 0.07 5.56 5.02 -1.26 -5.26 118.16 120.91 3bhw n LYS 55 Ca 0.07 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.24 3bhw n LYS 55 Cb 0.19 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.13 3bhw n LYS 55 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3bhw h ARG 56 N 0.00 -0.09 -0.46 1.97 3.08 -1.99 0.61 114.38 117.51 3bhw h ARG 56 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3bhw h ARG 56 Cb 0.00 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3bhw h ARG 56 CO 0.00 -0.06 0.29 0.37 -1.07 0.00 0.00 179.97 179.50 3bhw h GLN 57 N -0.10 0.61 -0.29 0.04 4.15 -1.99 -1.37 115.11 116.16 3bhw h GLN 57 Ca -0.00 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.27 3bhw h GLN 57 Cb 0.09 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 3bhw h GLN 57 CO -0.00 0.43 -0.21 0.66 -1.93 0.00 0.00 178.83 177.78 3bhw h SER 58 N 0.61 0.69 -0.57 -0.69 4.64 -1.90 -2.12 113.55 114.22 3bhw h SER 58 Ca 0.17 -0.44 0.08 0.00 -0.47 0.00 0.00 61.79 61.12 3bhw h SER 58 Cb -0.04 -0.19 -0.06 0.00 -0.31 0.00 0.00 62.40 61.80 3bhw h SER 58 CO -0.03 0.98 0.24 0.28 -0.87 0.00 0.00 176.83 177.43 3bhw h SER 59 N 0.41 0.28 -0.08 4.97 0.02 -0.79 -1.51 113.55 116.84 3bhw h SER 59 Ca 0.06 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.09 3bhw h SER 59 Cb 0.76 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 3bhw h SER 59 CO 0.06 0.18 -0.04 0.25 -1.14 0.00 0.00 176.83 176.13 3bhw h LEU 60 N 0.44 -0.14 -0.59 5.07 7.12 -1.04 0.29 115.31 126.47 3bhw h LEU 60 Ca 0.28 0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.32 3bhw h LEU 60 Cb 0.29 0.08 -0.03 0.00 -0.53 0.00 0.00 40.66 40.47 3bhw h LEU 60 CO -0.25 -0.06 0.36 0.24 -0.13 0.00 0.00 178.44 178.60 3bhw h MET 61 N -0.04 0.80 0.34 1.25 2.86 -1.17 0.19 114.93 119.17 3bhw h MET 61 Ca 0.05 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 3bhw h MET 61 Cb 0.11 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.60 3bhw h MET 61 CO -0.10 0.57 -0.16 -0.09 1.06 0.00 0.00 176.91 178.19 3bhw h ARG 62 N 0.80 -0.44 -0.74 1.72 2.43 -1.10 -2.18 114.38 114.87 3bhw h ARG 62 Ca 0.21 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.49 3bhw h ARG 62 Cb -0.03 0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.56 3bhw h ARG 62 CO -0.04 -0.24 0.41 -0.91 -1.51 0.00 0.00 179.97 177.68 3bhw h ASN 63 N -0.54 0.59 -0.02 -3.80 -0.26 -0.16 0.64 115.58 112.04 3bhw h ASN 63 Ca -0.05 0.04 0.03 0.00 -0.56 0.00 0.00 56.30 55.77 3bhw h ASN 63 Cb 0.40 -0.07 -0.05 0.00 -1.06 0.00 0.00 38.32 37.54 3bhw h ASN 63 CO 0.08 0.36 -0.27 0.03 -1.06 0.00 0.00 177.43 176.56 3bhw h ARG 64 N 0.72 -0.39 -0.34 0.81 3.08 -0.57 -2.72 114.38 114.96 3bhw h ARG 64 Ca 0.35 0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.39 3bhw h ARG 64 Cb 0.29 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3bhw h ARG 64 CO -0.22 -0.26 0.05 -0.07 -1.07 0.00 0.00 179.97 178.40 3bhw h LEU 65 N -0.41 0.47 0.00 3.04 3.38 -0.67 -1.77 115.31 119.35 3bhw h LEU 65 Ca 0.07 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3bhw h LEU 65 Cb 0.50 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3bhw h LEU 65 CO -0.25 0.50 0.00 -0.62 0.09 0.00 0.00 178.44 178.16 3bhw n GLU 66 N -4.32 0.32 0.15 1.13 1.02 0.14 -0.90 120.64 118.18 3bhw n GLU 66 Ca 0.02 0.07 0.13 0.00 -0.02 0.00 0.00 57.16 57.36 3bhw n GLU 66 Cb 0.20 -1.50 0.50 0.00 -0.02 0.00 0.00 31.44 30.63 3bhw n GLU 66 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 3bhw h THR 67 N 0.00 0.00 -0.80 2.62 1.35 -1.07 -3.45 112.91 111.56 3bhw h THR 67 Ca 0.00 -0.34 -0.65 0.00 -0.55 0.00 0.00 66.41 64.88 3bhw h THR 67 Cb 0.22 1.16 -0.12 0.00 -1.73 0.00 0.00 68.15 67.68 3bhw h THR 67 CO 0.00 0.00 -0.51 -0.04 -0.25 0.00 0.00 175.52 174.72 3bhw s MET 68 N -3.34 2.15 0.54 4.72 -1.94 -0.08 -5.05 119.30 116.31 3bhw s MET 68 Ca 0.05 -2.24 0.06 0.00 -1.71 0.00 0.00 55.69 51.84 3bhw s MET 68 Cb 0.10 -1.66 0.04 0.00 2.01 0.00 0.00 34.83 35.31 3bhw s MET 68 CO 0.46 -0.29 0.43 0.20 -0.01 0.00 0.00 175.02 175.80 3bhw s GLY 69 N -3.89 2.32 0.33 -0.03 0.00 -1.26 -4.98 107.32 99.82 3bhw s GLY 69 Ca 0.19 -1.34 0.10 0.00 0.00 0.00 0.00 44.72 43.67 3bhw s GLY 69 CO 0.10 -1.92 1.73 -2.55 0.00 0.00 0.00 173.10 170.47 3bhw h PRO 70 N 0.72 0.55 -0.64 2.90 0.11 -1.97 -0.44 132.00 133.24 3bhw h PRO 70 Ca -0.36 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.76 3bhw h PRO 70 Cb 1.30 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 3bhw h PRO 70 CO 0.56 0.37 0.42 0.93 -0.21 0.00 0.00 178.00 180.07 3bhw h GLU 71 N 0.57 0.66 0.17 1.05 3.07 -2.00 0.13 114.58 118.23 3bhw h GLU 71 Ca 0.64 -0.04 -0.30 0.00 -0.50 0.00 0.00 59.36 59.16 3bhw h GLU 71 Cb 1.24 -0.15 0.02 0.00 -0.84 0.00 0.00 28.75 29.02 3bhw h GLU 71 CO -0.46 0.43 -1.34 1.25 -1.40 0.00 0.00 179.01 177.49 3bhw h LEU 72 N 0.68 0.57 -1.41 1.33 6.46 -1.49 -2.86 115.31 118.59 3bhw h LEU 72 Ca 0.27 -0.62 0.04 0.00 -0.12 0.00 0.00 57.88 57.45 3bhw h LEU 72 Cb 0.20 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 39.91 3bhw h LEU 72 CO -0.08 1.49 0.43 -0.50 -0.62 0.00 0.00 178.44 179.16 3bhw h TRP 73 N 0.10 0.74 -0.07 1.25 6.55 -0.71 -1.05 115.95 122.76 3bhw h TRP 73 Ca -0.18 0.02 -0.19 0.00 0.95 0.00 0.00 58.89 59.49 3bhw h TRP 73 Cb 2.04 -0.25 -0.00 0.00 -0.86 0.00 0.00 29.16 30.09 3bhw h TRP 73 CO 0.09 0.43 -0.76 0.37 -1.05 0.00 0.00 178.44 177.52 3bhw h GLN 74 N 0.76 0.40 -0.55 0.49 4.15 -0.68 0.18 115.11 119.85 3bhw h GLN 74 Ca 0.27 -0.34 0.04 0.00 0.77 0.00 0.00 58.65 59.38 3bhw h GLN 74 Cb 0.10 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.83 3bhw h GLN 74 CO -0.08 0.99 0.30 0.52 -1.93 0.00 0.00 178.83 178.64 3bhw h MET 75 N 0.27 0.57 0.09 1.69 2.86 -1.18 0.15 114.93 119.38 3bhw h MET 75 Ca -0.04 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3bhw h MET 75 Cb 1.34 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.87 3bhw h MET 75 CO 0.13 0.38 -0.04 0.28 1.06 0.00 0.00 176.91 178.71 3bhw h VAL 76 N 0.59 1.02 -0.69 -2.22 2.07 -0.93 -0.40 116.25 115.69 3bhw h VAL 76 Ca 0.24 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 3bhw h VAL 76 Cb 0.11 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3bhw h VAL 76 CO -0.14 0.09 0.33 -0.09 0.02 0.00 0.00 177.57 177.79 3bhw h ARG 77 N -0.30 0.99 0.00 1.57 2.43 -0.53 -3.39 114.38 115.16 3bhw h ARG 77 Ca -0.01 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3bhw h ARG 77 Cb 0.25 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3bhw h ARG 77 CO 0.02 0.78 -0.84 -0.25 -1.51 0.00 0.00 179.97 178.17 3bhw n ASP 78 N -4.45 2.16 -4.79 -3.80 8.00 0.50 -4.97 116.55 109.20 3bhw n ASP 78 Ca 0.05 -0.28 -0.30 0.00 0.71 0.00 0.00 54.79 54.98 3bhw n ASP 78 Cb 0.13 1.16 0.10 0.00 -0.02 0.00 0.00 41.12 42.49 3bhw n ASP 78 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3bhw s GLY 79 N -2.20 1.62 0.93 0.44 0.00 -0.16 -5.02 107.32 102.91 3bhw s GLY 79 Ca -0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 44.72 44.36 3bhw s GLY 79 CO 0.25 0.21 0.74 -1.14 0.00 0.00 0.00 173.10 173.16 3bhw n SER 80 N -3.51 -0.97 -0.20 1.64 3.41 -1.26 -4.56 113.62 108.16 3bhw n SER 80 Ca 0.07 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 3bhw n SER 80 Cb 0.57 -1.33 0.09 0.00 -0.26 0.00 0.00 64.21 63.28 3bhw n SER 80 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3bhw h THR 81 N -1.64 0.48 0.13 6.66 2.02 -1.97 0.16 112.91 118.76 3bhw h THR 81 Ca -0.43 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 66.71 3bhw h THR 81 Cb 1.28 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 3bhw h THR 81 CO 0.38 0.02 -0.06 -0.61 0.37 0.00 0.00 175.52 175.61 3bhw h GLN 82 N 0.09 -0.17 -0.16 6.66 4.15 -1.99 0.63 115.11 124.31 3bhw h GLN 82 Ca 0.31 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.77 3bhw h GLN 82 Cb 0.50 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 3bhw h GLN 82 CO -0.54 0.02 -0.00 0.28 -1.93 0.00 0.00 178.83 176.65 3bhw h VAL 83 N -0.34 0.88 -0.15 2.39 2.07 -1.80 -2.14 116.25 117.16 3bhw h VAL 83 Ca -0.02 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 3bhw h VAL 83 Cb 0.27 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3bhw h VAL 83 CO 0.03 0.01 0.04 0.00 0.02 0.00 0.00 177.57 177.67 3bhw h ALA 84 N 1.14 0.20 -0.95 1.67 0.00 -0.59 -0.77 119.26 119.97 3bhw h ALA 84 Ca 0.08 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3bhw h ALA 84 Cb 0.09 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 3bhw h ALA 84 CO -0.13 -0.17 0.62 0.97 0.00 0.00 0.00 179.25 180.54 3bhw h ILE 85 N 0.05 1.14 -0.09 0.00 2.10 -0.83 -1.52 117.51 118.36 3bhw h ILE 85 Ca 0.05 -0.40 -0.14 0.00 1.08 0.00 0.00 64.86 65.45 3bhw h ILE 85 Cb 0.24 -0.13 -0.01 0.00 -1.09 0.00 0.00 36.82 35.84 3bhw h ILE 85 CO -0.00 0.21 -0.57 1.56 -1.08 0.00 0.00 178.15 178.27 3bhw h GLN 86 N 1.17 0.27 -0.51 2.19 4.20 -1.14 -0.58 115.11 120.71 3bhw h GLN 86 Ca 0.38 -0.17 -0.12 0.00 0.06 0.00 0.00 58.65 58.80 3bhw h GLN 86 Cb 0.06 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3bhw h GLN 86 CO -0.13 0.77 -0.16 0.00 -0.67 0.00 0.00 178.83 178.64 3bhw h ALA 87 N 1.20 0.71 -0.17 3.87 0.00 -0.66 -0.80 119.26 123.40 3bhw h ALA 87 Ca -0.00 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3bhw h ALA 87 Cb 1.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3bhw h ALA 87 CO 0.09 0.66 0.08 0.28 0.00 0.00 0.00 179.25 180.36 3bhw h VAL 88 N 0.88 1.14 -0.87 0.00 2.07 -1.09 -1.57 116.25 116.81 3bhw h VAL 88 Ca 0.12 -0.40 0.20 0.00 0.82 0.00 0.00 66.70 67.44 3bhw h VAL 88 Cb 0.74 1.09 -0.12 0.00 -1.52 0.00 0.00 31.29 31.48 3bhw h VAL 88 CO 0.06 0.13 0.38 0.15 0.02 0.00 0.00 177.57 178.31 3bhw h PHE 89 N 0.14 0.64 -0.09 1.57 3.57 -0.80 0.14 116.94 122.13 3bhw h PHE 89 Ca 0.06 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 3bhw h PHE 89 Cb 0.14 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 3bhw h PHE 89 CO -0.02 0.00 0.02 0.00 -2.23 0.00 0.00 178.31 176.07 3bhw h ALA 90 N 1.67 0.11 -0.94 2.41 0.00 -0.91 0.96 119.26 122.56 3bhw h ALA 90 Ca 0.52 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.30 3bhw h ALA 90 Cb 0.94 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 3bhw h ALA 90 CO -0.49 -0.24 0.62 0.00 0.00 0.00 0.00 179.25 179.14 3bhw h ALA 91 N 0.79 1.19 -0.30 0.00 0.00 -0.51 -0.62 119.26 119.81 3bhw h ALA 91 Ca 0.03 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3bhw h ALA 91 Cb 0.28 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3bhw h ALA 91 CO 0.00 0.58 -0.22 0.00 0.00 0.00 0.00 179.25 179.60 3bhw h ALA 92 N 1.35 1.06 -0.15 0.00 0.00 0.31 0.37 119.26 122.20 3bhw h ALA 92 Ca 0.35 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3bhw h ALA 92 Cb -0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3bhw h ALA 92 CO -0.08 0.57 0.06 0.82 0.00 0.00 0.00 179.25 180.63 3bhw h ILE 93 N 0.50 1.15 -0.83 0.00 2.04 -0.38 -0.70 117.51 119.28 3bhw h ILE 93 Ca 0.08 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.51 3bhw h ILE 93 Cb 0.66 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 3bhw h ILE 93 CO 0.05 0.14 0.55 0.50 0.00 0.00 0.00 178.15 179.38 3bhw h LYS 94 N 0.09 1.10 0.00 2.37 3.64 -0.67 -2.51 116.57 120.59 3bhw h LYS 94 Ca 0.05 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.26 3bhw h LYS 94 Cb 0.16 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3bhw h LYS 94 CO -0.00 0.73 -0.49 1.25 -2.27 0.00 0.00 179.45 178.66 3bhw h HIS 95 N 1.13 0.00 -3.37 1.91 2.76 -0.73 -3.43 115.15 113.42 3bhw h HIS 95 Ca 0.30 0.00 -0.62 0.00 -2.20 0.00 0.00 60.37 57.86 3bhw h HIS 95 Cb -0.12 0.00 -0.40 0.00 1.55 0.00 0.00 27.41 28.44 3bhw h HIS 95 CO 0.00 0.49 -0.74 0.45 -1.30 0.00 0.00 177.93 176.84 3bhw s SER 96 N -6.72 4.32 0.46 3.26 0.15 -0.29 -4.95 113.70 109.94 3bhw s SER 96 Ca -0.01 -1.95 0.12 0.00 0.70 0.00 0.00 55.95 54.81 3bhw s SER 96 Cb 0.12 -1.21 1.06 0.00 -1.71 0.00 0.00 66.02 64.29 3bhw s SER 96 CO 0.73 -0.39 2.10 0.74 1.20 0.00 0.00 173.24 177.62 3bhw h THR 97 N 6.44 1.05 -0.76 6.45 2.02 -1.83 -0.35 112.91 125.94 3bhw h THR 97 Ca -0.09 -0.10 0.07 0.00 0.77 0.00 0.00 66.41 67.07 3bhw h THR 97 Cb 1.01 0.74 -0.06 0.00 -1.74 0.00 0.00 68.15 68.10 3bhw h THR 97 CO 0.50 0.05 0.43 0.25 0.37 0.00 0.00 175.52 177.12 3bhw h LEU 98 N 0.28 0.64 -0.01 2.58 5.85 -1.86 -1.43 115.31 121.36 3bhw h LEU 98 Ca 0.08 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3bhw h LEU 98 Cb -0.02 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 3bhw h LEU 98 CO -0.02 0.40 -0.02 0.25 -0.34 0.00 0.00 178.44 178.72 3bhw h LEU 99 N 0.77 0.04 -0.43 2.25 5.85 -1.64 -2.61 115.31 119.54 3bhw h LEU 99 Ca 0.35 -0.50 0.05 0.00 0.84 0.00 0.00 57.88 58.62 3bhw h LEU 99 Cb 0.24 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 3bhw h LEU 99 CO -0.20 0.53 0.15 1.23 -0.34 0.00 0.00 178.44 179.81 3bhw h GLY 100 N -0.45 0.56 1.74 3.75 0.00 -1.00 -2.01 103.07 105.65 3bhw h GLY 100 Ca 0.00 -0.09 -0.21 0.00 0.00 0.00 0.00 47.33 47.03 3bhw h GLY 100 CO 0.00 0.02 -0.95 -0.55 0.00 0.00 0.00 176.54 175.07 3bhw h ASP 101 N 0.32 0.31 -0.68 0.19 5.19 -1.35 0.29 116.42 120.68 3bhw h ASP 101 Ca 0.20 -0.27 0.09 0.00 -0.62 0.00 0.00 57.03 56.44 3bhw h ASP 101 Cb 0.19 -0.10 -0.07 0.00 0.18 0.00 0.00 39.33 39.54 3bhw h ASP 101 CO -0.20 1.10 0.33 0.15 -3.12 0.00 0.00 179.24 177.49 3bhw h PHE 102 N 0.11 0.58 0.35 4.55 3.57 -0.99 0.24 116.94 125.36 3bhw h PHE 102 Ca -0.06 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 3bhw h PHE 102 Cb 1.61 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 40.19 3bhw h PHE 102 CO 0.04 0.21 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.09 3bhw h LEU 103 N 0.56 -0.40 -0.62 0.59 3.38 -0.81 -0.87 115.31 117.15 3bhw h LEU 103 Ca 0.33 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 3bhw h LEU 103 Cb 0.35 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3bhw h LEU 103 CO -0.27 -0.16 0.14 -0.78 0.09 0.00 0.00 178.44 177.47 3bhw h ASP 104 N -0.63 0.95 0.00 -0.43 3.58 -0.18 -1.53 116.42 118.18 3bhw h ASP 104 Ca -0.05 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.16 3bhw h ASP 104 Cb 0.46 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.26 3bhw h ASP 104 CO 0.08 0.94 -0.81 0.18 -2.88 0.00 0.00 179.24 176.75 3bhw n LEU 105 N -4.32 0.66 0.04 2.28 4.77 0.84 -4.49 117.00 116.78 3bhw n LEU 105 Ca 0.04 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 3bhw n LEU 105 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3bhw n LEU 105 CO 0.41 0.16 0.00 0.52 -1.33 0.00 0.00 177.39 177.16 3bhw n VAL 106 N -1.42 0.48 -0.17 4.08 0.31 -0.67 -4.69 118.33 116.25 3bhw n VAL 106 Ca 0.02 0.16 -0.02 0.00 -0.01 0.00 0.00 64.34 64.49 3bhw n VAL 106 Cb 0.25 -1.03 0.06 0.00 -0.91 0.00 0.00 33.84 32.21 3bhw n VAL 106 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3bhw h VAL 107 N 0.00 0.55 -0.49 2.52 2.07 -1.08 -1.37 116.25 118.45 3bhw h VAL 107 Ca 0.00 -0.03 0.08 0.00 0.82 0.00 0.00 66.70 67.57 3bhw h VAL 107 Cb 0.00 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 30.18 3bhw h VAL 107 CO 0.00 0.01 0.12 -0.09 0.02 0.00 0.00 177.57 177.64 3bhw h ARG 108 N 0.08 0.26 -0.10 1.57 2.43 -1.50 -1.42 114.38 115.70 3bhw h ARG 108 Ca 0.26 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.27 3bhw h ARG 108 Cb 0.40 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 3bhw h ARG 108 CO -0.47 0.17 -0.56 0.22 -1.51 0.00 0.00 179.97 177.82 3bhw h ASP 109 N 0.27 0.33 -0.65 -3.80 3.58 -1.75 -2.82 116.42 111.58 3bhw h ASP 109 Ca 0.24 -0.18 0.12 0.00 0.42 0.00 0.00 57.03 57.63 3bhw h ASP 109 Cb 0.31 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.22 3bhw h ASP 109 CO -0.30 0.83 0.44 1.56 -2.88 0.00 0.00 179.24 178.89 3bhw h GLN 110 N 0.23 0.38 0.00 0.28 1.08 -0.17 -2.52 115.11 114.40 3bhw h GLN 110 Ca 0.00 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3bhw h GLN 110 Cb 1.06 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.40 3bhw h GLN 110 CO 0.09 0.25 0.00 1.19 -0.95 0.00 0.00 178.83 179.41 3bhw n PHE 111 N -4.47 0.00 0.13 2.96 3.72 -0.97 -1.45 117.46 117.38 3bhw n PHE 111 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 3bhw n PHE 111 Cb 0.44 -0.45 0.08 0.00 -0.94 0.00 0.00 39.48 38.61 3bhw n PHE 111 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3bhw h ARG 112 N 0.00 0.00 -6.85 -1.08 2.43 -1.58 -3.46 114.38 103.84 3bhw h ARG 112 Ca 0.00 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.61 3bhw h ARG 112 Cb 0.14 0.00 0.18 0.00 -0.42 0.00 0.00 29.97 29.87 3bhw h ARG 112 CO 0.00 0.62 -0.03 -1.33 -1.51 0.00 0.00 179.97 177.72 3bhw n MET 113 N -3.40 0.50 0.02 0.20 2.81 -0.53 -4.96 117.12 111.76 3bhw n MET 113 Ca 0.01 0.22 -0.10 0.00 -1.81 0.00 0.00 57.70 56.01 3bhw n MET 113 Cb 0.72 -2.11 -0.05 0.00 -0.71 0.00 0.00 33.22 31.08 3bhw n MET 113 CO 0.00 0.00 0.00 0.35 1.51 0.00 0.00 175.97 177.83 3bhw h PHE 114 N -0.18 -0.11 -3.09 2.03 3.57 -1.89 -3.31 116.94 113.97 3bhw h PHE 114 Ca -0.47 0.01 -0.62 0.00 3.53 0.00 0.00 57.97 60.42 3bhw h PHE 114 Cb 1.34 0.06 -0.41 0.00 2.79 0.00 0.00 35.95 39.73 3bhw h PHE 114 CO 0.38 -0.08 -0.64 1.03 -2.23 0.00 0.00 178.31 176.78 3bhw s ARG 115 N -6.19 2.11 0.28 1.11 0.52 -1.26 -5.10 118.95 110.43 3bhw s ARG 115 Ca -0.13 -2.95 -0.29 0.00 -0.52 0.00 0.00 55.73 51.84 3bhw s ARG 115 Cb 0.08 -3.13 -0.14 0.00 0.52 0.00 0.00 34.95 32.28 3bhw s ARG 115 CO 0.67 -1.24 1.17 -2.30 0.02 0.00 0.00 175.30 173.62 3bhw n PRO 116 N 2.46 1.66 -4.15 3.54 -0.02 -1.25 -4.91 135.00 132.34 3bhw n PRO 116 Ca 0.16 0.59 -0.15 0.00 -2.02 0.00 0.00 63.50 62.07 3bhw n PRO 116 Cb 0.35 -2.07 -0.06 0.00 -0.02 0.00 0.00 33.50 31.70 3bhw n PRO 116 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3bhw s ASP 117 N -0.29 0.99 -0.42 2.55 1.47 -1.26 -1.41 116.67 118.31 3bhw s ASP 117 Ca 0.61 -1.52 0.08 0.00 1.18 0.00 0.00 52.55 52.89 3bhw s ASP 117 Cb -0.67 0.60 0.26 0.00 -0.34 0.00 0.00 42.92 42.77 3bhw s ASP 117 CO 0.58 -1.17 0.67 -0.11 0.68 0.00 0.00 175.17 175.83 3bhw n LEU 118 N -0.54 -0.64 -4.70 2.11 7.94 0.13 -4.85 117.00 116.46 3bhw n LEU 118 Ca 0.03 -4.34 -0.35 0.00 -1.11 0.00 0.00 56.01 50.24 3bhw n LEU 118 Cb 0.62 0.72 0.11 0.00 0.53 0.00 0.00 43.42 45.40 3bhw n LEU 118 CO 0.30 2.08 0.81 -0.81 -1.11 0.00 0.00 177.39 178.66 3bhw n PRO 119 N 1.26 0.49 -0.08 1.96 -0.04 -1.26 -4.86 135.00 132.46 3bhw n PRO 119 Ca 0.18 0.24 0.15 0.00 -0.04 0.00 0.00 63.50 64.02 3bhw n PRO 119 Cb 0.58 -2.47 0.55 0.00 -0.04 0.00 0.00 33.50 32.12 3bhw n PRO 119 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3bhw h ARG 120 N -0.44 0.30 -0.55 0.54 2.47 -2.00 0.47 114.38 115.19 3bhw h ARG 120 Ca -0.48 -0.02 0.16 0.00 -1.26 0.00 0.00 59.98 58.38 3bhw h ARG 120 Cb 1.31 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.54 3bhw h ARG 120 CO 0.48 0.20 0.51 1.57 0.56 0.00 0.00 179.97 183.30 3bhw h LYS 121 N 0.31 0.00 -0.28 0.04 2.10 -1.99 0.18 116.57 116.93 3bhw h LYS 121 Ca 0.29 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.77 3bhw h LYS 121 Cb 0.72 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.04 3bhw h LYS 121 CO -0.07 0.00 -0.50 0.52 -2.00 0.00 0.00 179.45 177.40 3bhw h MET 122 N 0.00 0.78 -0.36 0.07 2.86 -1.23 -2.12 114.93 114.92 3bhw h MET 122 Ca 0.26 -0.47 -0.04 0.00 -2.06 0.00 0.00 59.70 57.39 3bhw h MET 122 Cb 1.29 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.98 3bhw h MET 122 CO -0.00 1.10 0.07 2.35 1.06 0.00 0.00 176.91 181.48 3bhw h TRP 123 N 0.61 0.63 -0.25 -0.22 2.91 -0.78 -1.53 115.95 117.32 3bhw h TRP 123 Ca 0.03 -0.09 0.03 0.00 1.13 0.00 0.00 58.89 59.99 3bhw h TRP 123 Cb 1.08 -0.17 -0.03 0.00 -0.51 0.00 0.00 29.16 29.53 3bhw h TRP 123 CO 0.06 0.64 0.05 -0.44 -1.03 0.00 0.00 178.44 177.72 3bhw h ASP 124 N 0.44 0.01 0.03 2.65 3.32 -1.30 -0.94 116.42 120.64 3bhw h ASP 124 Ca 0.11 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.12 3bhw h ASP 124 Cb 0.35 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 3bhw h ASP 124 CO 0.01 0.04 -0.22 1.56 -1.72 0.00 0.00 179.24 178.91 3bhw h GLN 125 N 0.15 0.34 -0.35 3.56 4.20 -1.36 -2.46 115.11 119.19 3bhw h GLN 125 Ca 0.11 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3bhw h GLN 125 Cb 0.11 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3bhw h GLN 125 CO -0.15 0.55 0.06 -0.92 -0.67 0.00 0.00 178.83 177.70 3bhw h TYR 126 N 0.31 0.61 -0.49 2.96 3.20 -0.68 -1.75 116.97 121.13 3bhw h TYR 126 Ca 0.05 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 3bhw h TYR 126 Cb 0.56 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.64 3bhw h TYR 126 CO 0.01 0.63 0.21 -0.07 -1.64 0.00 0.00 178.16 177.30 3bhw h LEU 127 N 0.41 0.62 -0.77 2.82 3.38 -0.87 0.94 115.31 121.85 3bhw h LEU 127 Ca 0.11 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3bhw h LEU 127 Cb 0.35 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3bhw h LEU 127 CO 0.01 0.55 0.34 -0.08 0.09 0.00 0.00 178.44 179.35 3bhw h GLU 128 N 0.69 1.12 -0.04 1.13 4.57 -1.03 -1.62 114.58 119.40 3bhw h GLU 128 Ca 0.17 -0.18 -0.16 0.00 -1.18 0.00 0.00 59.36 58.01 3bhw h GLU 128 Cb 0.11 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 3bhw h GLU 128 CO -0.02 0.89 -0.69 1.96 -1.18 0.00 0.00 179.01 179.97 3bhw h GLN 129 N 1.09 0.18 -0.91 1.92 1.08 -0.36 -2.25 115.11 115.87 3bhw h GLN 129 Ca 0.26 -0.14 0.04 0.00 -1.45 0.00 0.00 58.65 57.36 3bhw h GLN 129 Cb 0.16 0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.56 3bhw h GLN 129 CO -0.03 0.80 0.58 0.00 -0.95 0.00 0.00 178.83 179.23 3bhw h ARG 131 N 1.10 0.27 -0.59 0.00 3.08 -1.08 0.25 114.38 117.42 3bhw h ARG 131 Ca 0.37 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 60.23 3bhw h ARG 131 Cb 0.07 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3bhw h ARG 131 CO -0.14 0.57 0.04 -0.91 -1.07 0.00 0.00 179.97 178.47 3bhw h ASN 132 N 0.23 0.95 0.48 7.04 2.35 -0.69 -3.22 115.58 122.72 3bhw h ASN 132 Ca 0.03 -0.24 -0.17 0.00 -0.55 0.00 0.00 56.30 55.37 3bhw h ASN 132 Cb 0.70 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 3bhw h ASN 132 CO 0.05 0.98 -0.73 0.03 -1.65 0.00 0.00 177.43 176.11 3bhw h ARG 133 N 0.92 0.21 -3.55 0.81 3.08 -0.64 -3.43 114.38 111.78 3bhw h ARG 133 Ca 0.18 -0.18 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 3bhw h ARG 133 Cb 0.48 0.04 -0.40 0.00 0.08 0.00 0.00 29.97 30.17 3bhw h ARG 133 CO 0.02 0.85 -0.74 0.34 -1.07 0.00 0.00 179.97 179.37 3bhw s ASP 134 N -6.91 4.05 0.00 7.04 -1.08 0.04 -4.97 116.67 114.84 3bhw s ASP 134 Ca -0.03 -2.13 0.25 0.00 -0.52 0.00 0.00 52.55 50.12 3bhw s ASP 134 Cb 0.11 -1.09 1.41 0.00 -1.46 0.00 0.00 42.92 41.89 3bhw s ASP 134 CO 0.81 -0.35 1.85 -0.81 0.52 0.00 0.00 175.17 177.19 3bhw n PRO 135 N 4.22 0.63 -0.02 4.34 -0.04 -1.26 -3.28 135.00 139.59 3bhw n PRO 135 Ca 0.03 0.02 0.09 0.00 -0.04 0.00 0.00 63.50 63.60 3bhw n PRO 135 Cb 0.39 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.18 3bhw n PRO 135 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3bhw n LEU 136 N -1.10 0.00 -4.79 1.53 4.77 -1.26 -4.99 117.00 111.15 3bhw n LEU 136 Ca 0.16 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.83 3bhw n LEU 136 Cb 0.13 0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.32 3bhw n LEU 136 CO 0.16 0.05 0.71 0.00 -1.33 0.00 0.00 177.39 176.97 3bhw s MET 137 N -3.39 2.69 0.79 3.23 0.23 -1.21 -4.77 119.30 116.88 3bhw s MET 137 Ca -0.08 1.10 -0.11 0.00 -1.03 0.00 0.00 55.69 55.57 3bhw s MET 137 Cb 0.13 -1.95 0.06 0.00 -1.53 0.00 0.00 34.83 31.54 3bhw s MET 137 CO 0.88 -1.30 1.09 -2.14 -2.03 0.00 0.00 175.02 171.51 3bhw s PRO 138 N -4.81 2.16 -0.61 3.16 0.02 -1.26 -4.98 135.00 128.68 3bhw s PRO 138 Ca 0.61 0.87 -0.16 0.00 0.02 0.00 0.00 61.00 62.34 3bhw s PRO 138 Cb -0.16 -1.91 0.14 0.00 0.02 0.00 0.00 34.50 32.59 3bhw s PRO 138 CO 0.52 -1.62 0.60 0.08 -0.33 0.00 0.00 177.00 176.25 3bhw s VAL 139 N -3.03 5.20 0.41 3.83 1.01 -1.26 -5.00 120.40 121.56 3bhw s VAL 139 Ca 0.61 -1.59 -0.25 0.00 0.00 0.00 0.00 61.98 60.75 3bhw s VAL 139 Cb -0.16 -4.40 -0.08 0.00 0.00 0.00 0.00 36.38 31.74 3bhw s VAL 139 CO 0.55 -0.96 1.22 0.26 0.00 0.00 0.00 175.10 176.17 3bhw s TRP 140 N 1.56 2.95 0.55 5.22 0.51 -1.26 -4.99 118.94 123.48 3bhw s TRP 140 Ca 0.08 1.50 -0.21 0.00 -2.12 0.00 0.00 56.10 55.35 3bhw s TRP 140 Cb -0.25 -3.50 -0.05 0.00 -0.81 0.00 0.00 33.47 28.86 3bhw s TRP 140 CO 0.01 -1.64 1.27 -0.65 -0.51 0.00 0.00 176.95 175.43 3bhw s GLN 141 N -2.31 3.17 0.37 4.98 -0.21 -1.26 -4.71 119.66 119.68 3bhw s GLN 141 Ca 0.58 2.00 0.10 0.00 0.02 0.00 0.00 55.36 58.06 3bhw s GLN 141 Cb -0.33 -2.15 0.84 0.00 1.00 0.00 0.00 33.01 32.36 3bhw s GLN 141 CO 0.42 -1.10 1.89 -0.44 -2.12 0.00 0.00 175.29 173.94 3bhw h ASP 142 N 1.33 0.62 -0.57 5.90 5.19 -1.98 0.16 116.42 127.07 3bhw h ASP 142 Ca -0.50 0.03 -0.07 0.00 -0.62 0.00 0.00 57.03 55.87 3bhw h ASP 142 Cb 1.29 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.69 3bhw h ASP 142 CO 0.57 0.32 0.07 0.77 -3.12 0.00 0.00 179.24 177.85 3bhw h SER 143 N 0.66 0.92 -0.21 6.45 4.64 -1.99 -0.19 113.55 123.83 3bhw h SER 143 Ca 0.42 -0.27 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 3bhw h SER 143 Cb 0.68 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 3bhw h SER 143 CO -0.18 0.96 0.04 0.74 -0.87 0.00 0.00 176.83 177.53 3bhw h THR 144 N 0.84 1.21 -0.98 2.95 2.02 -1.40 -1.53 112.91 116.03 3bhw h THR 144 Ca 0.17 -0.70 0.17 0.00 0.77 0.00 0.00 66.41 66.82 3bhw h THR 144 Cb 0.45 1.28 -0.09 0.00 -1.74 0.00 0.00 68.15 68.04 3bhw h THR 144 CO 0.02 0.22 0.61 0.00 0.37 0.00 0.00 175.52 176.74 3bhw h ALA 145 N 0.85 1.74 0.01 6.16 0.00 -0.64 -1.68 119.26 125.70 3bhw h ALA 145 Ca 0.06 0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.82 3bhw h ALA 145 Cb 0.29 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3bhw h ALA 145 CO 0.00 -0.06 -0.96 -0.97 0.00 0.00 0.00 179.25 177.26 3bhw h ASN 146 N 0.75 0.06 -0.48 0.00 -1.24 -0.67 -1.66 115.58 112.34 3bhw h ASN 146 Ca 0.54 -0.05 -0.03 0.00 0.71 0.00 0.00 56.30 57.46 3bhw h ASN 146 Cb 0.84 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 39.85 3bhw h ASN 146 CO -0.31 0.98 0.18 0.50 -1.29 0.00 0.00 177.43 177.49 3bhw h LYS 147 N 0.01 0.72 -0.76 6.67 1.63 -0.67 -0.24 116.57 123.94 3bhw h LYS 147 Ca -0.02 -0.14 -0.02 0.00 -0.85 0.00 0.00 60.65 59.62 3bhw h LYS 147 Cb 1.67 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 33.16 3bhw h LYS 147 CO 0.13 0.66 0.38 -0.07 -3.45 0.00 0.00 179.45 177.10 3bhw h LEU 148 N 0.64 0.97 -0.59 5.20 3.38 -1.24 -2.18 115.31 121.49 3bhw h LEU 148 Ca 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3bhw h LEU 148 Cb 0.21 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3bhw h LEU 148 CO -0.01 0.82 0.34 0.00 0.09 0.00 0.00 178.44 179.67 3bhw h ALA 149 N 1.19 0.75 -0.67 1.53 0.00 -0.99 -1.49 119.26 119.59 3bhw h ALA 149 Ca 0.26 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.13 3bhw h ALA 149 Cb 0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3bhw h ALA 149 CO -0.04 0.26 0.44 -0.44 0.00 0.00 0.00 179.25 179.47 3bhw h ASP 150 N 0.80 0.64 -0.08 0.00 3.32 -0.48 0.17 116.42 120.79 3bhw h ASP 150 Ca 0.21 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 3bhw h ASP 150 Cb 0.02 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 3bhw h ASP 150 CO -0.04 0.43 -0.03 0.00 -1.72 0.00 0.00 179.24 177.88 3bhw h VAL 152 N -0.18 1.24 -0.31 0.00 2.07 -0.69 -1.98 116.25 116.41 3bhw h VAL 152 Ca 0.02 -0.81 -0.09 0.00 0.82 0.00 0.00 66.70 66.64 3bhw h VAL 152 Cb 0.45 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3bhw h VAL 152 CO 0.01 0.31 -0.19 1.88 0.02 0.00 0.00 177.57 179.60 3bhw h TYR 153 N 0.88 0.62 -0.52 1.57 -1.99 -0.70 -1.29 116.97 115.54 3bhw h TYR 153 Ca 0.20 -0.12 -0.00 0.00 2.00 0.00 0.00 58.73 60.81 3bhw h TYR 153 Cb 0.27 -0.16 -0.03 0.00 2.00 0.00 0.00 36.73 38.82 3bhw h TYR 153 CO 0.02 0.72 0.33 -0.09 -0.00 0.00 0.00 178.16 179.14 3bhw h ARG 154 N 0.51 0.70 -0.45 4.88 2.43 -1.02 -0.52 114.38 120.90 3bhw h ARG 154 Ca 0.08 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3bhw h ARG 154 Cb 0.62 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.98 3bhw h ARG 154 CO 0.04 0.50 0.24 0.82 -1.51 0.00 0.00 179.97 180.06 3bhw h ILE 155 N 0.70 1.00 -0.18 1.20 2.04 -1.00 0.32 117.51 121.59 3bhw h ILE 155 Ca 0.19 -0.17 -0.08 0.00 1.00 0.00 0.00 64.86 65.80 3bhw h ILE 155 Cb -0.03 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 3bhw h ILE 155 CO -0.04 0.09 -0.26 -0.07 0.00 0.00 0.00 178.15 177.87 3bhw h LEU 156 N 0.49 0.33 -0.17 1.44 3.38 -0.46 -2.08 115.31 118.23 3bhw h LEU 156 Ca 0.19 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3bhw h LEU 156 Cb 0.07 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3bhw h LEU 156 CO -0.11 0.59 -0.00 0.58 0.09 0.00 0.00 178.44 179.58 3bhw h VAL 157 N 0.29 1.26 -0.78 1.22 2.07 -0.60 0.27 116.25 119.99 3bhw h VAL 157 Ca 0.04 -0.86 0.13 0.00 0.82 0.00 0.00 66.70 66.83 3bhw h VAL 157 Cb 0.62 1.49 -0.09 0.00 -1.52 0.00 0.00 31.29 31.79 3bhw h VAL 157 CO 0.04 0.26 0.37 -0.33 0.02 0.00 0.00 177.57 177.94 3bhw h GLU 158 N 0.05 0.55 0.00 1.57 5.08 0.09 -2.51 114.58 119.41 3bhw h GLU 158 Ca 0.05 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3bhw h GLU 158 Cb 0.39 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3bhw h GLU 158 CO 0.01 0.36 -0.58 -0.24 -1.00 0.00 0.00 179.01 177.56 3bhw h VAL 159 N 0.57 0.00 0.00 3.13 3.04 -1.40 -3.48 116.25 118.10 3bhw h VAL 159 Ca 0.41 -0.55 0.00 0.00 -1.01 0.00 0.00 66.70 65.55 3bhw h VAL 159 Cb 0.55 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 31.02 3bhw h VAL 159 CO -0.35 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 176.82 3bhw n GLY 160 N 1.31 0.62 0.30 3.17 0.00 -0.70 -4.98 105.19 104.91 3bhw n GLY 160 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 3bhw n GLY 160 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3bhw h TYR 161 N 0.00 0.76 -3.42 1.61 -1.99 -1.18 -3.40 116.97 109.34 3bhw h TYR 161 Ca 0.00 -0.05 -0.66 0.00 2.00 0.00 0.00 58.73 60.02 3bhw h TYR 161 Cb 0.00 -0.23 -0.26 0.00 2.00 0.00 0.00 36.73 38.24 3bhw h TYR 161 CO 0.00 0.63 -0.71 0.42 -0.00 0.00 0.00 178.16 178.50 3bhw s ILE 162 N -5.24 3.53 -0.20 -2.88 1.01 -1.08 -0.06 121.20 116.29 3bhw s ILE 162 Ca -0.09 -0.44 0.22 0.00 0.00 0.00 0.00 60.65 60.33 3bhw s ILE 162 Cb 0.16 -2.61 -0.30 0.00 0.01 0.00 0.00 42.46 39.72 3bhw s ILE 162 CO 0.78 0.42 0.59 0.35 0.00 0.00 0.00 174.94 177.08 3bhw n THR 163 N 4.67 0.04 -3.69 2.92 -2.24 -1.11 -4.41 114.28 110.45 3bhw n THR 163 Ca -0.18 -0.42 -0.20 0.00 -2.27 0.00 0.00 64.05 60.98 3bhw n THR 163 Cb 0.51 0.14 -0.18 0.00 -2.10 0.00 0.00 70.33 68.70 3bhw n THR 163 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3bhw s ASP 164 N -4.32 1.06 0.00 3.42 -1.08 -1.26 -5.04 116.67 109.45 3bhw s ASP 164 Ca -0.05 0.06 0.27 0.00 -0.52 0.00 0.00 52.55 52.31 3bhw s ASP 164 Cb 0.14 -0.15 1.48 0.00 -1.46 0.00 0.00 42.92 42.93 3bhw s ASP 164 CO 0.89 -0.23 1.97 -1.54 0.52 0.00 0.00 175.17 176.78 3bhw n SER 165 N 5.17 0.31 0.00 -0.34 3.41 -1.26 -1.75 113.62 119.16 3bhw n SER 165 Ca -0.06 -1.24 0.00 0.00 -0.26 0.00 0.00 58.87 57.31 3bhw n SER 165 Cb 0.50 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 3bhw n SER 165 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3bhw n LYS 166 N -0.69 2.67 0.04 4.33 5.02 -1.26 -4.61 118.16 123.66 3bhw n LYS 166 Ca 0.20 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.61 3bhw n LYS 166 Cb 0.14 -0.86 0.26 0.00 -0.02 0.00 0.00 35.03 34.56 3bhw n LYS 166 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3bhw n THR 167 N -1.49 0.22 -3.81 -0.18 -2.24 -1.25 -4.96 114.28 100.57 3bhw n THR 167 Ca 0.00 -0.16 -0.30 0.00 -2.27 0.00 0.00 64.05 61.32 3bhw n THR 167 Cb 0.30 -0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.43 3bhw n THR 167 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3bhw n TYR 168 N -1.86 -1.75 -2.26 4.78 4.01 -0.72 -4.64 117.16 114.71 3bhw n TYR 168 Ca 0.05 0.63 -0.40 0.00 -0.16 0.00 0.00 57.90 58.01 3bhw n TYR 168 Cb 0.40 -2.80 -0.03 0.00 -0.31 0.00 0.00 39.34 36.60 3bhw n TYR 168 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3bhw s ARG 169 N -6.48 4.31 -0.14 -0.72 1.81 -1.24 -0.69 118.95 115.81 3bhw s ARG 169 Ca 0.58 1.98 -0.08 0.00 -1.72 0.00 0.00 55.73 56.49 3bhw s ARG 169 Cb -0.31 -2.96 -0.04 0.00 -0.45 0.00 0.00 34.95 31.18 3bhw s ARG 169 CO 0.71 -0.14 0.15 -0.51 -0.68 0.00 0.00 175.30 174.83 3bhw s LEU 170 N -1.96 4.34 0.08 2.53 1.43 -0.50 -2.77 118.68 121.83 3bhw s LEU 170 Ca 0.51 0.43 0.09 0.00 -1.03 0.00 0.00 54.13 54.12 3bhw s LEU 170 Cb -0.35 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 3bhw s LEU 170 CO 0.45 0.34 -0.22 -0.75 0.23 0.00 0.00 176.35 176.40 3bhw s LYS 171 N -0.65 1.82 0.30 1.70 2.20 0.91 -4.69 119.74 121.33 3bhw s LYS 171 Ca 0.14 -1.12 -0.29 0.00 -0.36 0.00 0.00 55.97 54.33 3bhw s LYS 171 Cb -0.12 -2.07 -0.10 0.00 -1.51 0.00 0.00 37.83 34.03 3bhw s LYS 171 CO 0.03 0.50 1.29 -1.54 -0.36 0.00 0.00 175.35 175.27 3bhw s SER 172 N -1.66 6.85 -0.06 1.43 1.04 -1.26 -4.38 113.70 115.65 3bhw s SER 172 Ca 0.15 2.59 0.05 0.00 0.48 0.00 0.00 55.95 59.22 3bhw s SER 172 Cb -0.10 -2.64 -0.01 0.00 0.10 0.00 0.00 66.02 63.37 3bhw s SER 172 CO 0.06 -0.49 -0.23 0.68 0.98 0.00 0.00 173.24 174.24 3bhw s VAL 173 N -0.89 2.24 -0.35 5.02 -7.23 -1.26 -4.94 120.40 112.99 3bhw s VAL 173 Ca 0.50 -1.00 -0.12 0.00 -1.81 0.00 0.00 61.98 59.55 3bhw s VAL 173 Cb -0.38 -1.83 -0.00 0.00 0.56 0.00 0.00 36.38 34.73 3bhw s VAL 173 CO 0.48 0.57 0.22 -0.13 -0.31 0.00 0.00 175.10 175.93 3bhw s ARG 174 N -0.19 3.28 0.13 4.82 0.52 -1.26 -4.80 118.95 121.46 3bhw s ARG 174 Ca -0.03 -0.78 -0.30 0.00 -0.52 0.00 0.00 55.73 54.10 3bhw s ARG 174 Cb -0.14 -3.75 -0.07 0.00 0.52 0.00 0.00 34.95 31.51 3bhw s ARG 174 CO 0.03 -0.51 1.23 0.42 0.02 0.00 0.00 175.30 176.49 3bhw s ILE 175 N 1.66 3.68 0.39 1.52 -1.09 -1.26 -4.96 121.20 121.14 3bhw s ILE 175 Ca 0.05 1.29 -0.24 0.00 -2.23 0.00 0.00 60.65 59.52 3bhw s ILE 175 Cb -0.18 -3.83 -0.13 0.00 -1.58 0.00 0.00 42.46 36.75 3bhw s ILE 175 CO 0.09 0.15 0.71 -1.54 -1.23 0.00 0.00 174.94 173.12 3bhw n SER 176 N 3.24 -0.12 0.11 3.58 3.41 -1.26 -4.76 113.62 117.82 3bhw n SER 176 Ca 0.07 0.99 0.08 0.00 -0.26 0.00 0.00 58.87 59.75 3bhw n SER 176 Cb 0.45 -1.18 0.55 0.00 -0.26 0.00 0.00 64.21 63.76 3bhw n SER 176 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3bhw h GLY 177 N 1.14 0.28 1.38 5.00 0.00 -1.99 -1.47 103.07 107.41 3bhw h GLY 177 Ca -0.40 -0.10 -0.10 0.00 0.00 0.00 0.00 47.33 46.73 3bhw h GLY 177 CO 0.54 0.09 -0.16 -2.09 0.00 0.00 0.00 176.54 174.92 3bhw h GLU 178 N 0.25 0.72 0.05 4.80 4.81 -1.99 -1.17 114.58 122.05 3bhw h GLU 178 Ca 0.10 -0.26 -0.13 0.00 -0.13 0.00 0.00 59.36 58.95 3bhw h GLU 178 Cb 0.11 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.45 3bhw h GLU 178 CO -0.02 0.84 -0.54 0.28 -0.73 0.00 0.00 179.01 178.84 3bhw h VAL 179 N 0.65 1.53 -0.68 0.32 2.07 -1.75 -2.61 116.25 115.78 3bhw h VAL 179 Ca 0.10 -2.26 -0.06 0.00 0.82 0.00 0.00 66.70 65.31 3bhw h VAL 179 Cb 0.63 2.95 -0.03 0.00 -1.52 0.00 0.00 31.29 33.33 3bhw h VAL 179 CO 0.04 0.63 0.20 0.24 0.02 0.00 0.00 177.57 178.70 3bhw h MET 180 N -0.39 1.06 -0.40 1.57 2.86 -1.24 -1.25 114.93 117.14 3bhw h MET 180 Ca -0.08 -0.23 0.05 0.00 -2.06 0.00 0.00 59.70 57.38 3bhw h MET 180 Cb 1.34 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.80 3bhw h MET 180 CO 0.10 0.91 0.15 1.03 1.06 0.00 0.00 176.91 180.17 3bhw h SER 181 N 1.01 0.17 -0.97 1.22 0.87 -1.27 0.13 113.55 114.72 3bhw h SER 181 Ca 0.22 0.04 0.07 0.00 -1.23 0.00 0.00 61.79 60.89 3bhw h SER 181 Cb 0.31 0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 62.22 3bhw h SER 181 CO -0.00 0.14 0.62 0.22 -0.53 0.00 0.00 176.83 177.27 3bhw h TYR 182 N 0.32 1.15 -0.20 2.24 3.20 -0.98 0.15 116.97 122.86 3bhw h TYR 182 Ca 0.18 0.03 -0.21 0.00 3.14 0.00 0.00 58.73 61.87 3bhw h TYR 182 Cb 0.15 -0.38 0.01 0.00 1.54 0.00 0.00 36.73 38.05 3bhw h TYR 182 CO -0.14 0.59 -0.69 -0.07 -1.64 0.00 0.00 178.16 176.21 3bhw h LEU 183 N 1.13 0.95 0.03 2.82 3.38 -0.37 -1.68 115.31 121.57 3bhw h LEU 183 Ca 0.42 -0.60 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3bhw h LEU 183 Cb 0.18 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3bhw h LEU 183 CO -0.18 1.39 -0.01 0.03 0.09 0.00 0.00 178.44 179.76 3bhw h ARG 184 N 0.57 -0.04 -0.94 1.13 3.08 -0.72 -0.99 114.38 116.47 3bhw h ARG 184 Ca -0.03 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.23 3bhw h ARG 184 Cb 1.32 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 31.30 3bhw h ARG 184 CO 0.15 0.31 0.61 0.93 -1.07 0.00 0.00 179.97 180.90 3bhw h GLU 185 N -0.39 0.44 -0.67 0.04 5.08 -0.84 -1.18 114.58 117.05 3bhw h GLU 185 Ca -0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3bhw h GLU 185 Cb 0.37 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3bhw h GLU 185 CO 0.01 0.29 0.00 0.09 -1.00 0.00 0.00 179.01 178.40 3bhw n ASN 186 N -4.55 4.72 -2.96 1.42 3.02 -0.64 -4.97 115.26 111.29 3bhw n ASN 186 Ca 0.21 -2.40 -0.22 0.00 -0.03 0.00 0.00 54.58 52.13 3bhw n ASN 186 Cb 0.71 -0.58 0.03 0.00 -0.61 0.00 0.00 39.78 39.33 3bhw n ASN 186 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3bhw n ASN 187 N 1.21 -6.16 -3.42 6.41 3.02 -0.45 -4.86 115.26 111.02 3bhw n ASN 187 Ca 0.26 -0.26 -0.40 0.00 -0.03 0.00 0.00 54.58 54.15 3bhw n ASN 187 Cb 0.87 -4.99 -0.02 0.00 -0.61 0.00 0.00 39.78 35.04 3bhw n ASN 187 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3bhw n GLU 188 N -3.95 4.02 -0.32 3.52 -0.58 -0.45 -4.79 120.64 118.09 3bhw n GLU 188 Ca -0.13 -2.78 -0.05 0.00 -0.42 0.00 0.00 57.16 53.79 3bhw n GLU 188 Cb 0.63 -2.76 -0.00 0.00 -0.57 0.00 0.00 31.44 28.73 3bhw n GLU 188 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 3bhw h GLN 189 N 4.92 -0.08 -0.15 3.49 1.08 -1.89 0.85 115.11 123.34 3bhw h GLN 189 Ca 0.77 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.97 3bhw h GLN 189 Cb 0.32 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 3bhw h GLN 189 CO 1.67 -0.05 0.05 -0.92 -0.95 0.00 0.00 178.83 178.63 3bhw h TYR 190 N -0.08 0.24 -0.58 2.96 3.20 -2.00 0.01 116.97 120.73 3bhw h TYR 190 Ca 0.26 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.16 3bhw h TYR 190 Cb 0.55 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.70 3bhw h TYR 190 CO -0.83 0.34 0.30 0.28 -1.64 0.00 0.00 178.16 176.62 3bhw h VAL 191 N 0.07 0.96 -0.62 1.81 2.07 -1.85 -2.31 116.25 116.38 3bhw h VAL 191 Ca 0.05 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.42 3bhw h VAL 191 Cb 0.21 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 3bhw h VAL 191 CO -0.00 0.11 0.36 0.40 0.02 0.00 0.00 177.57 178.45 3bhw h ILE 192 N 0.58 1.01 -0.83 4.57 2.04 -0.37 0.50 117.51 125.01 3bhw h ILE 192 Ca 0.26 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.90 3bhw h ILE 192 Cb 0.15 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.46 3bhw h ILE 192 CO -0.17 0.13 0.55 -0.09 0.00 0.00 0.00 178.15 178.56 3bhw h ARG 193 N 0.69 1.05 0.00 2.37 2.43 -0.57 -3.23 114.38 117.11 3bhw h ARG 193 Ca 0.27 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 59.22 3bhw h ARG 193 Cb 0.11 -0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 3bhw h ARG 193 CO -0.14 0.70 -1.58 0.00 -1.51 0.00 0.00 179.97 177.44 3bhw h ILE 195 N 0.00 1.62 -3.29 0.00 2.10 -0.94 -3.39 117.51 113.60 3bhw h ILE 195 Ca -0.17 -3.07 -0.62 0.00 1.08 0.00 0.00 64.86 62.08 3bhw h ILE 195 Cb 1.53 2.69 -0.40 0.00 -1.09 0.00 0.00 36.82 39.55 3bhw h ILE 195 CO 0.03 0.88 -0.73 -1.58 -1.08 0.00 0.00 178.15 175.67 3bhw s GLN 196 N -2.92 1.17 0.00 2.19 0.74 -1.26 -4.95 119.66 114.64 3bhw s GLN 196 Ca -0.00 -1.65 0.16 0.00 0.05 0.00 0.00 55.36 53.92 3bhw s GLN 196 Cb 0.10 -2.53 -0.04 0.00 1.10 0.00 0.00 33.01 31.64 3bhw s GLN 196 CO 0.82 -1.02 0.82 1.33 -0.55 0.00 0.00 175.29 176.69 3bhw n VAL 197 N 4.24 0.00 0.44 1.34 0.24 -1.26 -4.92 118.33 118.40 3bhw n VAL 197 Ca 0.03 -0.29 0.05 0.00 -2.04 0.00 0.00 64.34 62.09 3bhw n VAL 197 Cb 0.39 1.15 0.04 0.00 -1.47 0.00 0.00 33.84 33.96 3bhw n VAL 197 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15