#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dww n ALA 12 N 0.00 0.67 0.19 0.55 0.00 -1.26 -4.16 120.51 116.50 3dww n ALA 12 Ca 0.00 -0.56 0.08 0.00 0.00 0.00 0.00 53.44 52.96 3dww n ALA 12 Cb 0.00 -0.10 0.19 0.00 0.00 0.00 0.00 19.45 19.53 3dww n ALA 12 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3dww h LEU 13 N -1.00 0.00 -0.96 0.00 3.38 -1.98 -1.76 115.31 112.99 3dww h LEU 13 Ca -0.14 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 3dww h LEU 13 Cb 0.88 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3dww h LEU 13 CO -0.09 0.22 -0.42 1.55 0.09 0.00 0.00 178.44 179.79 3dww h PRO 14 N 0.00 0.00 0.09 1.13 0.13 -1.99 -2.69 132.00 128.67 3dww h PRO 14 Ca -0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3dww h PRO 14 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3dww h PRO 14 CO 0.03 0.42 -0.04 0.00 -0.23 0.00 0.00 178.00 178.18 3dww h ALA 15 N 1.58 -0.12 0.00 -0.56 0.00 -1.51 -2.21 119.26 116.44 3dww h ALA 15 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3dww h ALA 15 Cb 0.90 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3dww h ALA 15 CO 0.05 -0.23 0.00 1.19 0.00 0.00 0.00 179.25 180.26 3dww n PHE 16 N -4.85 0.00 0.00 0.00 3.01 -0.79 -3.91 117.46 110.92 3dww n PHE 16 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 3dww n PHE 16 Cb 0.29 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 3dww n PHE 16 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 3dww n LEU 17 N -1.26 0.00 0.00 4.37 0.00 -0.83 -3.27 117.00 116.00 3dww n LEU 17 Ca 0.09 0.98 0.03 0.00 0.00 0.00 0.00 56.01 57.11 3dww n LEU 17 Cb 0.14 -0.48 0.18 0.00 0.00 0.00 0.00 43.42 43.26 3dww n LEU 17 CO 0.14 -0.48 0.44 0.18 0.00 0.00 0.00 177.39 177.67 3dww n LEU 18 N -2.05 0.00 0.07 -1.96 4.77 -1.22 -2.35 117.00 114.26 3dww n LEU 18 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 3dww n LEU 18 Cb 0.00 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.34 3dww n LEU 18 CO 0.00 0.00 0.52 0.00 -1.33 0.00 0.00 177.39 176.58 3dww h SER 20 N 0.00 -0.05 0.03 0.00 4.64 -1.62 -3.34 113.55 113.22 3dww h SER 20 Ca 0.00 -0.60 -0.11 0.00 -0.47 0.00 0.00 61.79 60.61 3dww h SER 20 Cb 0.74 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 3dww h SER 20 CO 0.00 0.63 -0.34 0.74 -0.87 0.00 0.00 176.83 176.99 3dww h THR 21 N -0.79 1.29 -0.44 2.95 2.02 -1.73 -0.03 112.91 116.16 3dww h THR 21 Ca -0.01 -1.42 -0.03 0.00 0.77 0.00 0.00 66.41 65.73 3dww h THR 21 Cb 0.65 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 3dww h THR 21 CO 0.01 0.44 0.16 -0.07 0.37 0.00 0.00 175.52 176.43 3dww h LEU 22 N 0.37 0.58 -2.37 2.58 3.38 -1.61 -2.92 115.31 115.32 3dww h LEU 22 Ca 0.04 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3dww h LEU 22 Cb 0.77 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3dww h LEU 22 CO 0.06 0.54 0.00 0.18 0.09 0.00 0.00 178.44 179.31 3dww n LEU 23 N -4.35 3.07 -0.02 1.67 4.77 -0.70 -1.87 117.00 119.57 3dww n LEU 23 Ca 0.03 -1.61 -0.09 0.00 -0.03 0.00 0.00 56.01 54.31 3dww n LEU 23 Cb 0.16 -0.22 -0.14 0.00 -2.33 0.00 0.00 43.42 40.89 3dww n LEU 23 CO 0.38 0.70 -0.53 0.52 -1.33 0.00 0.00 177.39 177.12 3dww n VAL 24 N 1.06 1.62 0.09 4.08 0.31 -0.11 -1.53 118.33 123.85 3dww n VAL 24 Ca 0.15 -0.79 -0.12 0.00 -0.01 0.00 0.00 64.34 63.57 3dww n VAL 24 Cb 0.49 -1.09 -0.09 0.00 -0.91 0.00 0.00 33.84 32.25 3dww n VAL 24 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3dww h ILE 25 N 0.00 1.51 0.03 2.52 2.04 -1.61 3.07 117.51 125.07 3dww h ILE 25 Ca -0.29 -2.89 -0.33 0.00 1.00 0.00 0.00 64.86 62.36 3dww h ILE 25 Cb 2.01 2.72 -0.04 0.00 -0.74 0.00 0.00 36.82 40.77 3dww h ILE 25 CO 0.08 0.84 -1.81 1.17 0.00 0.00 0.00 178.15 178.43 3dww n LYS 26 N -3.58 0.62 -0.05 2.37 3.00 -0.78 -1.08 118.16 118.65 3dww n LYS 26 Ca -0.06 0.40 -0.13 0.00 -0.00 0.00 0.00 58.31 58.53 3dww n LYS 26 Cb 0.92 -1.66 -0.11 0.00 0.00 0.00 0.00 35.03 34.18 3dww n LYS 26 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.40 177.92 3dww h MET 27 N -0.68 -0.01 0.00 1.64 2.86 -1.51 -3.40 114.93 113.83 3dww h MET 27 Ca -0.46 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 3dww h MET 27 Cb 1.58 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.25 3dww h MET 27 CO -0.18 0.81 -1.14 0.66 1.06 0.00 0.00 176.91 178.12 3dww n TYR 28 N -4.67 0.00 0.01 -0.22 4.02 -0.96 -3.32 117.16 112.02 3dww n TYR 28 Ca -0.09 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.62 3dww n TYR 28 Cb 0.40 -0.12 -0.11 0.00 -0.02 0.00 0.00 39.34 39.48 3dww n TYR 28 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3dww h VAL 29 N 0.00 1.43 -0.14 -0.72 2.07 0.64 -2.91 116.25 116.63 3dww h VAL 29 Ca 0.00 -2.12 0.02 0.00 0.82 0.00 0.00 66.70 65.42 3dww h VAL 29 Cb 0.55 2.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 3dww h VAL 29 CO 0.00 0.61 0.01 0.58 0.02 0.00 0.00 177.57 178.79 3dww h VAL 30 N -0.13 0.92 -0.54 2.57 2.07 -1.31 -0.91 116.25 118.91 3dww h VAL 30 Ca -0.08 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.44 3dww h VAL 30 Cb 1.34 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 3dww h VAL 30 CO 0.12 0.01 0.34 0.00 0.02 0.00 0.00 177.57 178.06 3dww h ALA 31 N 1.11 0.70 -0.02 1.67 0.00 -1.71 0.18 119.26 121.19 3dww h ALA 31 Ca 0.06 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3dww h ALA 31 Cb 0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3dww h ALA 31 CO -0.10 0.08 -0.13 0.82 0.00 0.00 0.00 179.25 179.92 3dww h ILE 32 N 0.69 0.67 0.52 0.00 2.04 -1.26 0.91 117.51 121.09 3dww h ILE 32 Ca 0.21 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.05 3dww h ILE 32 Cb -0.02 0.67 0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3dww h ILE 32 CO -0.07 0.00 -0.25 0.40 0.00 0.00 0.00 178.15 178.23 3dww h ILE 33 N -0.21 0.48 -0.07 -0.67 2.04 -1.01 1.26 117.51 119.33 3dww h ILE 33 Ca 0.05 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.85 3dww h ILE 33 Cb 0.28 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3dww h ILE 33 CO -0.14 0.01 0.06 0.71 0.00 0.00 0.00 178.15 178.80 3dww h THR 34 N -0.75 0.68 0.00 -0.27 1.35 -0.57 0.17 112.91 113.51 3dww h THR 34 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 3dww h THR 34 Cb 0.56 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 3dww h THR 34 CO 0.12 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.00 3dww n GLY 35 N -1.43 -1.97 0.27 5.82 0.00 0.32 -3.65 105.19 104.55 3dww n GLY 35 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.06 3dww n GLY 35 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3dww h GLN 36 N 0.00 0.29 0.01 1.61 1.08 0.42 -1.53 115.11 116.99 3dww h GLN 36 Ca 0.00 -0.02 -0.22 0.00 -1.45 0.00 0.00 58.65 56.96 3dww h GLN 36 Cb 0.00 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.33 3dww h GLN 36 CO 0.00 0.19 -1.09 0.28 -0.95 0.00 0.00 178.83 177.26 3dww h VAL 37 N 0.29 1.62 -0.42 -0.54 2.07 -1.07 -2.65 116.25 115.55 3dww h VAL 37 Ca 0.42 -3.34 -0.02 0.00 0.82 0.00 0.00 66.70 64.58 3dww h VAL 37 Cb 0.71 2.81 -0.02 0.00 -1.52 0.00 0.00 31.29 33.27 3dww h VAL 37 CO -0.50 0.92 0.19 -0.09 0.02 0.00 0.00 177.57 178.11 3dww h ARG 38 N 0.00 0.61 0.00 1.57 2.43 -1.37 -3.21 114.38 114.42 3dww h ARG 38 Ca -0.04 -0.10 -0.12 0.00 -0.81 0.00 0.00 59.98 58.90 3dww h ARG 38 Cb 1.80 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 31.23 3dww h ARG 38 CO 0.13 0.55 -1.13 -0.07 -1.51 0.00 0.00 179.97 177.93 3dww h LEU 39 N 0.53 0.00 0.09 3.80 3.38 -1.51 -3.17 115.31 118.43 3dww h LEU 39 Ca 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3dww h LEU 39 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3dww h LEU 39 CO -0.02 0.44 -0.04 -0.09 0.09 0.00 0.00 178.44 178.83 3dww h ARG 40 N 0.00 -0.11 -1.26 1.13 2.43 -1.53 -2.77 114.38 112.27 3dww h ARG 40 Ca -0.10 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 58.98 3dww h ARG 40 Cb 1.43 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.95 3dww h ARG 40 CO 0.04 0.29 0.13 1.63 -1.51 0.00 0.00 179.97 180.55 3dww n LYS 41 N -4.94 1.25 -1.30 0.20 5.02 -1.21 -4.96 118.16 112.21 3dww n LYS 41 Ca -0.09 -0.55 -0.54 0.00 -2.02 0.00 0.00 58.31 55.12 3dww n LYS 41 Cb 0.24 -1.22 -0.13 0.00 -0.02 0.00 0.00 35.03 33.91 3dww n LYS 41 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3dww n LYS 42 N 0.48 0.00 -1.35 1.97 3.00 -1.05 -4.77 118.16 116.44 3dww n LYS 42 Ca 0.11 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.16 3dww n LYS 42 Cb 0.65 -1.47 -0.02 0.00 0.00 0.00 0.00 35.03 34.19 3dww n LYS 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3dww n ALA 43 N 8.22 6.11 -4.10 3.14 0.00 -1.26 -4.88 120.51 127.74 3dww n ALA 43 Ca 0.57 -2.78 -0.13 0.00 0.00 0.00 0.00 53.44 51.11 3dww n ALA 43 Cb -0.02 -1.92 -0.03 0.00 0.00 0.00 0.00 19.45 17.48 3dww n ALA 43 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3dww n PHE 44 N 0.55 0.26 -3.02 0.00 3.01 -1.26 -4.78 117.46 112.22 3dww n PHE 44 Ca 0.45 -1.09 -0.12 0.00 1.01 0.00 0.00 57.45 57.70 3dww n PHE 44 Cb 0.55 -0.07 0.06 0.00 -0.01 0.00 0.00 39.48 40.00 3dww n PHE 44 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3dww n ALA 45 N -2.24 -1.17 -1.82 4.37 0.00 -1.26 -5.04 120.51 113.36 3dww n ALA 45 Ca -0.08 0.06 -0.33 0.00 0.00 0.00 0.00 53.44 53.09 3dww n ALA 45 Cb 0.27 -2.40 -0.06 0.00 0.00 0.00 0.00 19.45 17.26 3dww n ALA 45 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3dww s ASN 46 N -3.67 6.76 0.00 0.00 -0.87 -1.26 -4.23 114.94 111.67 3dww s ASN 46 Ca 0.12 1.71 0.00 0.00 -1.57 0.00 0.00 52.86 53.12 3dww s ASN 46 Cb -0.05 -2.54 0.00 0.00 -0.02 0.00 0.00 41.25 38.64 3dww s ASN 46 CO 0.47 -0.49 0.00 -2.65 -2.57 0.00 0.00 177.10 171.87 3dww n PRO 47 N -0.90 0.00 -2.99 -0.60 -0.02 -1.26 0.24 135.00 129.47 3dww n PRO 47 Ca 0.07 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.48 3dww n PRO 47 Cb 0.54 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 34.03 3dww n PRO 47 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3dww n GLU 48 N 0.00 -1.97 -4.55 -0.52 2.13 -1.26 -5.04 120.64 109.43 3dww n GLU 48 Ca 0.00 1.83 -0.23 0.00 0.66 0.00 0.00 57.16 59.43 3dww n GLU 48 Cb 0.00 -5.39 -0.16 0.00 0.27 0.00 0.00 31.44 26.16 3dww n GLU 48 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3dww s ASP 49 N -2.69 1.56 0.15 4.31 2.15 0.14 -5.11 116.67 117.18 3dww s ASP 49 Ca 0.16 -0.25 -0.31 0.00 0.43 0.00 0.00 52.55 52.58 3dww s ASP 49 Cb -0.04 -0.45 -0.09 0.00 -0.30 0.00 0.00 42.92 42.04 3dww s ASP 49 CO 0.77 0.09 1.50 0.00 -0.17 0.00 0.00 175.17 177.37 3dww s ALA 50 N 0.19 3.71 -0.33 3.66 0.00 -1.26 -4.66 121.76 123.06 3dww s ALA 50 Ca -0.04 1.28 -0.29 0.00 0.00 0.00 0.00 51.96 52.91 3dww s ALA 50 Cb -0.10 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.41 3dww s ALA 50 CO 0.01 -0.72 1.69 -1.17 0.00 0.00 0.00 175.76 175.57 3dww s LEU 51 N 1.11 3.57 0.00 0.00 1.98 -1.26 -4.92 118.68 119.15 3dww s LEU 51 Ca 0.68 1.24 0.00 0.00 -2.89 0.00 0.00 54.13 53.16 3dww s LEU 51 Cb -0.41 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 42.91 3dww s LEU 51 CO 0.31 -1.59 0.00 0.54 -1.89 0.00 0.00 176.35 173.72 3dww n ARG 52 N 8.25 0.00 0.00 1.98 1.74 -1.26 -5.20 116.66 122.18 3dww n ARG 52 Ca 0.21 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 3dww n ARG 52 Cb 0.47 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.91 3dww n ARG 52 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3dww n HIS 53 N 0.00 -1.30 0.00 -1.55 -0.00 -1.26 -5.03 115.22 106.08 3dww n HIS 53 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3dww n HIS 53 Cb 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 29.99 30.10 3dww n HIS 53 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3dww n GLY 54 N 0.00 0.00 2.69 -1.41 0.00 -1.26 -5.09 105.19 100.12 3dww n GLY 54 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 3dww n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dww n GLY 55 N 0.00 1.44 0.21 -0.02 0.00 -1.26 -4.61 105.19 100.95 3dww n GLY 55 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3dww n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dww n PRO 56 N -0.42 0.00 -3.20 1.61 -0.04 -1.26 -5.04 135.00 126.64 3dww n PRO 56 Ca 0.02 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.08 3dww n PRO 56 Cb 0.84 -0.18 -0.07 0.00 -0.04 0.00 0.00 33.50 34.05 3dww n PRO 56 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3dww s GLN 57 N -0.58 4.17 0.39 0.54 -0.21 -1.26 -4.97 119.66 117.75 3dww s GLN 57 Ca 0.00 0.46 0.06 0.00 0.02 0.00 0.00 55.36 55.90 3dww s GLN 57 Cb 0.00 -3.58 0.80 0.00 1.00 0.00 0.00 33.01 31.22 3dww s GLN 57 CO 0.00 -0.22 2.02 0.10 -2.12 0.00 0.00 175.29 175.07 3dww h TYR 58 N 7.57 0.63 0.00 0.91 -0.00 -1.96 0.32 116.97 124.44 3dww h TYR 58 Ca -0.32 0.02 -0.01 0.00 0.00 0.00 0.00 58.73 58.42 3dww h TYR 58 Cb 1.15 -0.21 -0.00 0.00 0.00 0.00 0.00 36.73 37.66 3dww h TYR 58 CO 0.71 0.37 -0.05 0.00 -0.00 0.00 0.00 178.16 179.20 3dww n ARG 60 N -3.59 0.44 -0.01 0.00 0.63 0.91 -4.98 116.66 110.05 3dww n ARG 60 Ca -0.02 0.30 -0.03 0.00 -0.92 0.00 0.00 57.85 57.17 3dww n ARG 60 Cb 0.15 -1.41 -0.01 0.00 0.45 0.00 0.00 32.46 31.64 3dww n ARG 60 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3dww n SER 61 N -4.25 1.10 -0.04 6.15 3.41 -0.02 -4.52 113.62 115.44 3dww n SER 61 Ca -0.10 0.17 -0.01 0.00 -0.26 0.00 0.00 58.87 58.67 3dww n SER 61 Cb 0.37 -0.45 -0.01 0.00 -0.26 0.00 0.00 64.21 63.86 3dww n SER 61 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3dww n ASP 62 N -3.56 -0.11 0.41 4.04 9.92 -1.26 0.11 116.55 126.11 3dww n ASP 62 Ca -0.05 0.23 -0.16 0.00 -0.53 0.00 0.00 54.79 54.28 3dww n ASP 62 Cb 0.18 -0.05 -0.08 0.00 -0.64 0.00 0.00 41.12 40.54 3dww n ASP 62 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 3dww h PRO 63 N 0.00 -1.02 -0.15 -0.24 0.13 -1.89 -2.03 132.00 126.81 3dww h PRO 63 Ca 0.02 0.07 0.02 0.00 -0.87 0.00 0.00 66.00 65.23 3dww h PRO 63 Cb 0.04 0.23 -0.03 0.00 0.13 0.00 0.00 31.00 31.37 3dww h PRO 63 CO -0.10 -0.68 -0.22 0.22 -0.23 0.00 0.00 178.00 177.00 3dww h ASP 64 N -1.21 -0.72 -0.88 1.44 1.82 0.59 5.37 116.42 122.83 3dww h ASP 64 Ca -0.11 0.09 0.23 0.00 -0.39 0.00 0.00 57.03 56.85 3dww h ASP 64 Cb 0.81 0.29 -0.13 0.00 0.68 0.00 0.00 39.33 40.98 3dww h ASP 64 CO 0.18 -0.16 0.29 0.58 -1.61 0.00 0.00 179.24 178.52 3dww h VAL 65 N -0.16 0.37 0.00 2.25 2.07 -0.46 1.02 116.25 121.35 3dww h VAL 65 Ca 0.03 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3dww h VAL 65 Cb 0.23 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 3dww h VAL 65 CO -0.22 0.05 0.00 1.21 0.02 0.00 0.00 177.57 178.62 3dww n GLU 66 N -5.16 0.00 -0.16 1.57 2.13 -0.24 -3.15 120.64 115.63 3dww n GLU 66 Ca 0.22 0.16 -0.01 0.00 0.66 0.00 0.00 57.16 58.19 3dww n GLU 66 Cb 0.67 -1.07 0.01 0.00 0.27 0.00 0.00 31.44 31.33 3dww n GLU 66 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3dww n ARG 67 N -0.98 -0.10 -0.04 5.31 1.74 1.73 0.10 116.66 124.43 3dww n ARG 67 Ca 0.00 0.64 -0.14 0.00 -0.77 0.00 0.00 57.85 57.58 3dww n ARG 67 Cb 0.00 -0.95 -0.09 0.00 -1.02 0.00 0.00 32.46 30.40 3dww n ARG 67 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dww h LEU 69 N -0.16 0.00 0.09 0.00 3.38 -0.92 -2.81 115.31 114.90 3dww h LEU 69 Ca -0.01 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3dww h LEU 69 Cb 0.86 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 3dww h LEU 69 CO 0.05 0.46 -0.38 0.03 0.09 0.00 0.00 178.44 178.69 3dww h ARG 70 N 0.00 -0.57 0.75 1.13 2.47 0.64 -1.10 114.38 117.69 3dww h ARG 70 Ca -0.00 0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.72 3dww h ARG 70 Cb 1.12 0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 29.57 3dww h ARG 70 CO 0.06 -0.38 -0.44 0.00 0.56 0.00 0.00 179.97 179.77 3dww h ALA 71 N -0.03 -1.25 -0.37 0.04 0.00 -1.39 -2.49 119.26 113.77 3dww h ALA 71 Ca 0.03 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.78 3dww h ALA 71 Cb 0.64 0.54 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 3dww h ALA 71 CO -0.24 -1.21 -0.33 0.45 0.00 0.00 0.00 179.25 177.92 3dww h HIS 72 N -1.10 -0.92 -0.89 0.00 3.86 -1.56 0.35 115.15 114.89 3dww h HIS 72 Ca -0.10 0.06 0.24 0.00 -1.16 0.00 0.00 60.37 59.41 3dww h HIS 72 Cb 0.88 0.46 -0.04 0.00 1.06 0.00 0.00 27.41 29.76 3dww h HIS 72 CO -0.06 -0.39 0.62 0.00 0.86 0.00 0.00 177.93 178.96 3dww h ARG 73 N -0.27 0.10 0.12 2.45 3.08 -1.21 0.37 114.38 119.02 3dww h ARG 73 Ca 0.16 -0.01 -0.35 0.00 0.07 0.00 0.00 59.98 59.86 3dww h ARG 73 Cb 0.54 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 3dww h ARG 73 CO -0.52 0.06 -1.87 -0.91 -1.07 0.00 0.00 179.97 175.66 3dww h ASN 74 N 0.10 0.41 0.00 7.04 2.35 -0.63 -3.26 115.58 121.59 3dww h ASN 74 Ca 0.43 -0.80 -0.12 0.00 -0.55 0.00 0.00 56.30 55.26 3dww h ASN 74 Cb 1.56 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.79 3dww h ASN 74 CO -0.05 1.70 -0.39 0.44 -1.65 0.00 0.00 177.43 177.49 3dww h ASP 75 N 0.07 0.52 0.36 5.81 3.32 0.60 -3.31 116.42 123.80 3dww h ASP 75 Ca -0.37 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.43 3dww h ASP 75 Cb 2.05 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 41.45 3dww h ASP 75 CO 0.11 0.86 -0.17 0.24 -1.72 0.00 0.00 179.24 178.56 3dww h MET 76 N 0.42 -0.47 0.16 3.56 2.86 -0.48 -3.35 114.93 117.62 3dww h MET 76 Ca 0.04 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.73 3dww h MET 76 Cb 0.86 0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.59 3dww h MET 76 CO 0.07 -0.18 -0.35 1.49 1.06 0.00 0.00 176.91 178.99 3dww h GLU 77 N -1.02 -0.58 0.00 1.72 4.81 -1.64 -1.93 114.58 115.93 3dww h GLU 77 Ca -0.05 0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 3dww h GLU 77 Cb 0.50 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 3dww h GLU 77 CO 0.08 -0.39 -0.35 1.15 -0.73 0.00 0.00 179.01 178.78 3dww h THR 78 N -0.61 0.94 0.31 0.32 2.02 -1.83 -3.26 112.91 110.80 3dww h THR 78 Ca 0.02 -1.34 -0.00 0.00 0.77 0.00 0.00 66.41 65.86 3dww h THR 78 Cb 0.62 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.80 3dww h THR 78 CO -0.18 0.34 -0.28 0.40 0.37 0.00 0.00 175.52 176.16 3dww h ILE 79 N 0.00 0.40 -0.57 3.11 1.08 -1.50 -3.00 117.51 117.03 3dww h ILE 79 Ca -0.00 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.54 3dww h ILE 79 Cb 0.76 0.40 -0.10 0.00 -3.07 0.00 0.00 36.82 34.82 3dww h ILE 79 CO 0.04 0.00 -0.48 1.88 -0.69 0.00 0.00 178.15 178.90 3dww h TYR 80 N -0.62 -1.44 -0.05 1.37 0.99 -1.51 0.30 116.97 116.01 3dww h TYR 80 Ca -0.02 0.09 0.00 0.00 2.00 0.00 0.00 58.73 60.80 3dww h TYR 80 Cb 0.56 0.71 0.00 0.00 1.00 0.00 0.00 36.73 38.99 3dww h TYR 80 CO -0.16 -0.44 0.00 -0.35 -0.00 0.00 0.00 178.16 177.21 3dww n PRO 81 N -5.39 1.23 -0.05 4.88 -0.04 -1.23 -1.79 135.00 132.62 3dww n PRO 81 Ca 0.00 -0.35 -0.21 0.00 -0.04 0.00 0.00 63.50 62.91 3dww n PRO 81 Cb 0.34 -1.34 -0.13 0.00 -0.04 0.00 0.00 33.50 32.33 3dww n PRO 81 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3dww n PHE 82 N -0.45 0.80 -0.00 0.54 7.35 0.93 -3.51 117.46 123.11 3dww n PHE 82 Ca 0.15 0.18 -0.00 0.00 -0.76 0.00 0.00 57.45 57.02 3dww n PHE 82 Cb 0.15 -1.10 -0.00 0.00 0.35 0.00 0.00 39.48 38.88 3dww n PHE 82 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3dww h LEU 83 N -0.04 -0.02 -0.55 -2.13 3.38 -0.92 -2.57 115.31 112.46 3dww h LEU 83 Ca -0.48 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.54 3dww h LEU 83 Cb 1.94 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.62 3dww h LEU 83 CO -0.00 0.07 -0.38 0.15 0.09 0.00 0.00 178.44 178.37 3dww h PHE 84 N -0.18 -1.20 -0.23 1.13 -0.00 -1.59 0.02 116.94 114.89 3dww h PHE 84 Ca -0.00 0.08 0.05 0.00 -0.00 0.00 0.00 57.97 58.09 3dww h PHE 84 Cb 0.01 0.59 -0.05 0.00 -0.00 0.00 0.00 35.95 36.51 3dww h PHE 84 CO 0.02 -0.26 -0.08 -0.07 -0.00 0.00 0.00 178.31 177.91 3dww h LEU 85 N -0.07 -0.28 -0.28 0.59 3.38 -1.71 -2.11 115.31 114.82 3dww h LEU 85 Ca 0.09 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.18 3dww h LEU 85 Cb 0.30 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 3dww h LEU 85 CO -0.55 -0.11 0.04 1.23 0.09 0.00 0.00 178.44 179.15 3dww h GLY 86 N -0.04 0.31 1.86 0.83 0.00 -1.26 -3.34 103.07 101.43 3dww h GLY 86 Ca 0.12 -0.01 -0.22 0.00 0.00 0.00 0.00 47.33 47.23 3dww h GLY 86 CO -0.26 -0.02 -1.00 0.74 0.00 0.00 0.00 176.54 176.00 3dww h PHE 87 N 0.14 0.19 -0.15 5.60 -1.00 -0.34 0.08 116.94 121.46 3dww h PHE 87 Ca 0.13 -0.13 0.04 0.00 2.81 0.00 0.00 57.97 60.83 3dww h PHE 87 Cb 0.15 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.69 3dww h PHE 87 CO -0.18 1.03 0.23 0.28 -1.61 0.00 0.00 178.31 178.06 3dww h VAL 88 N 0.05 0.31 -0.01 -0.55 2.07 -1.56 -2.52 116.25 114.03 3dww h VAL 88 Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3dww h VAL 88 Cb 1.70 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 3dww h VAL 88 CO 0.14 0.00 -0.16 0.00 0.02 0.00 0.00 177.57 177.57 3dww n TYR 89 N -3.53 0.00 -0.03 1.57 9.36 -0.48 -4.70 117.16 119.36 3dww n TYR 89 Ca 0.01 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.23 3dww n TYR 89 Cb 0.33 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 39.04 3dww n TYR 89 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3dww h SER 90 N 1.76 0.00 0.00 2.98 4.64 -0.57 -3.38 113.55 118.98 3dww h SER 90 Ca 0.00 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.67 3dww h SER 90 Cb 0.46 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.56 3dww h SER 90 CO 0.00 0.25 2.66 0.49 -0.87 0.00 0.00 176.83 179.36 3dww n PHE 91 N -3.38 2.39 0.00 4.77 3.01 -1.25 -2.61 117.46 120.39 3dww n PHE 91 Ca -0.00 -2.25 0.00 0.00 1.01 0.00 0.00 57.45 56.21 3dww n PHE 91 Cb 0.01 -2.01 0.00 0.00 -0.01 0.00 0.00 39.48 37.47 3dww n PHE 91 CO 0.00 0.00 0.00 -0.11 1.01 0.00 0.00 176.76 177.66 3dww n LEU 92 N 6.62 0.00 0.00 4.37 7.94 -1.26 -5.06 117.00 129.61 3dww n LEU 92 Ca 0.51 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.41 3dww n LEU 92 Cb 0.37 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.32 3dww n LEU 92 CO 0.96 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.85 3dww n GLY 93 N -1.04 0.98 2.78 -3.96 0.00 -1.07 -5.09 105.19 97.79 3dww n GLY 93 Ca 0.00 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.29 3dww n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dww n PRO 94 N 0.00 0.50 -4.22 1.61 -0.04 -1.26 -5.05 135.00 126.54 3dww n PRO 94 Ca 0.00 -2.12 -0.20 0.00 -0.04 0.00 0.00 63.50 61.13 3dww n PRO 94 Cb 0.00 -0.28 -0.12 0.00 -0.04 0.00 0.00 33.50 33.06 3dww n PRO 94 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3dww s ASN 95 N -3.69 1.99 -0.02 3.54 0.01 -1.26 -4.93 114.94 110.58 3dww s ASN 95 Ca 0.45 -0.66 -0.02 0.00 -0.71 0.00 0.00 52.86 51.92 3dww s ASN 95 Cb -0.03 -0.08 -0.01 0.00 0.41 0.00 0.00 41.25 41.54 3dww s ASN 95 CO 0.29 -0.04 0.17 1.55 -1.51 0.00 0.00 177.10 177.56 3dww h PRO 96 N 4.13 -0.06 -0.22 -0.60 0.14 -1.99 -0.02 132.00 133.37 3dww h PRO 96 Ca -0.42 0.00 0.06 0.00 0.14 0.00 0.00 66.00 65.78 3dww h PRO 96 Cb 1.19 0.01 -0.01 0.00 0.14 0.00 0.00 31.00 32.33 3dww h PRO 96 CO 0.41 -0.04 0.49 0.74 0.14 0.00 0.00 178.00 179.74 3dww h PHE 97 N -0.32 0.00 0.00 1.56 -1.00 -1.96 0.26 116.94 115.48 3dww h PHE 97 Ca -0.01 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.69 3dww h PHE 97 Cb 0.05 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.59 3dww h PHE 97 CO 0.02 0.00 -0.48 0.28 -1.61 0.00 0.00 178.31 176.53 3dww h VAL 98 N 0.00 1.34 -0.34 -0.55 2.07 -1.99 -2.47 116.25 114.30 3dww h VAL 98 Ca 0.10 -2.18 0.04 0.00 0.82 0.00 0.00 66.70 65.48 3dww h VAL 98 Cb 1.08 2.71 -0.07 0.00 -1.52 0.00 0.00 31.29 33.48 3dww h VAL 98 CO -0.00 0.45 -0.53 0.00 0.02 0.00 0.00 177.57 177.51 3dww h ALA 99 N -0.26 -0.79 0.00 1.67 0.00 0.23 -2.61 119.26 117.51 3dww h ALA 99 Ca -0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3dww h ALA 99 Cb 1.05 1.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.93 3dww h ALA 99 CO -0.08 -1.03 -0.03 -1.49 0.00 0.00 0.00 179.25 176.62 3dww h TRP 100 N -0.41 0.00 0.00 0.00 4.06 -0.66 -1.60 115.95 117.34 3dww h TRP 100 Ca 0.06 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.01 3dww h TRP 100 Cb 0.58 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.74 3dww h TRP 100 CO -0.70 0.03 -0.01 0.52 -3.56 0.00 0.00 178.44 174.73 3dww h MET 101 N 0.00 0.01 -1.02 0.49 2.86 -1.34 -3.31 114.93 112.61 3dww h MET 101 Ca -0.00 -0.01 0.25 0.00 -2.06 0.00 0.00 59.70 57.88 3dww h MET 101 Cb 0.23 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.81 3dww h MET 101 CO 0.00 0.82 0.65 0.45 1.06 0.00 0.00 176.91 179.90 3dww h HIS 102 N -0.81 0.67 -0.23 -0.22 3.86 -0.90 2.80 115.15 120.32 3dww h HIS 102 Ca -0.00 0.02 -0.18 0.00 -1.16 0.00 0.00 60.37 59.05 3dww h HIS 102 Cb 0.83 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 29.10 3dww h HIS 102 CO 0.21 0.09 -0.59 0.74 0.86 0.00 0.00 177.93 179.24 3dww h PHE 103 N 0.42 0.95 0.08 2.45 -1.00 -1.70 -2.18 116.94 115.95 3dww h PHE 103 Ca 0.57 -0.35 -0.30 0.00 2.81 0.00 0.00 57.97 60.71 3dww h PHE 103 Cb 1.41 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 40.78 3dww h PHE 103 CO -0.00 1.15 -1.56 -0.07 -1.61 0.00 0.00 178.31 176.22 3dww h LEU 104 N 0.56 0.26 0.40 1.54 3.38 -0.60 -2.99 115.31 117.86 3dww h LEU 104 Ca 0.00 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 3dww h LEU 104 Cb 1.18 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3dww h LEU 104 CO 0.12 1.34 -0.19 0.58 0.09 0.00 0.00 178.44 180.38 3dww h VAL 105 N 0.05 0.00 -0.92 1.22 2.07 0.47 -2.13 116.25 116.99 3dww h VAL 105 Ca -0.24 -0.42 0.08 0.00 0.82 0.00 0.00 66.70 66.94 3dww h VAL 105 Cb 1.99 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.65 3dww h VAL 105 CO 0.13 0.00 -0.55 0.49 0.02 0.00 0.00 177.57 177.67 3dww n PHE 106 N -4.62 -0.41 0.11 1.57 3.01 -0.82 0.04 117.46 116.35 3dww n PHE 106 Ca -0.07 1.16 -0.12 0.00 1.01 0.00 0.00 57.45 59.43 3dww n PHE 106 Cb 0.21 -0.57 -0.08 0.00 -0.01 0.00 0.00 39.48 39.03 3dww n PHE 106 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 3dww h LEU 107 N 0.00 -0.28 -1.38 4.37 6.46 -1.60 0.19 115.31 123.07 3dww h LEU 107 Ca 0.15 -0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 3dww h LEU 107 Cb 0.38 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 3dww h LEU 107 CO -0.87 0.18 0.00 0.58 -0.62 0.00 0.00 178.44 177.71 3dww h VAL 108 N -0.84 0.00 0.00 1.05 2.07 -1.43 1.45 116.25 118.55 3dww h VAL 108 Ca -0.03 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3dww h VAL 108 Cb 0.51 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3dww h VAL 108 CO 0.06 0.00 0.00 1.23 0.02 0.00 0.00 177.57 178.88 3dww h GLY 109 N 1.55 0.00 0.00 2.17 0.00 0.69 -3.35 103.07 104.13 3dww h GLY 109 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 3dww h GLY 109 CO 0.00 0.00 -2.32 -2.13 0.00 0.00 0.00 176.54 172.09 3dww n ARG 110 N -2.98 0.54 0.08 4.80 3.00 0.46 -4.03 116.66 118.54 3dww n ARG 110 Ca 0.01 0.18 -0.07 0.00 -0.00 0.00 0.00 57.85 57.97 3dww n ARG 110 Cb 0.29 -1.41 0.06 0.00 0.00 0.00 0.00 32.46 31.40 3dww n ARG 110 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3dww h VAL 111 N -0.42 1.43 -0.00 5.15 2.07 -0.50 1.75 116.25 125.72 3dww h VAL 111 Ca -0.56 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 64.72 3dww h VAL 111 Cb 1.67 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 33.63 3dww h VAL 111 CO -0.22 0.66 -0.25 0.00 0.02 0.00 0.00 177.57 177.78 3dww n ALA 112 N -2.47 2.98 0.10 1.67 0.00 -1.26 -1.35 120.51 120.19 3dww n ALA 112 Ca -0.03 -0.27 -0.23 0.00 0.00 0.00 0.00 53.44 52.91 3dww n ALA 112 Cb 0.70 -1.27 -0.15 0.00 0.00 0.00 0.00 19.45 18.73 3dww n ALA 112 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3dww h HIS 113 N 0.26 0.79 0.12 0.00 6.17 -1.13 -3.34 115.15 118.03 3dww h HIS 113 Ca 0.00 -0.58 -0.28 0.00 0.71 0.00 0.00 60.37 60.22 3dww h HIS 113 Cb 0.46 -0.03 0.01 0.00 2.52 0.00 0.00 27.41 30.37 3dww h HIS 113 CO 0.00 1.60 -1.22 1.15 0.71 0.00 0.00 177.93 180.17 3dww h THR 114 N 0.12 1.42 0.00 6.26 2.02 0.27 -2.61 112.91 120.38 3dww h THR 114 Ca -0.30 -2.81 0.00 0.00 0.77 0.00 0.00 66.41 64.07 3dww h THR 114 Cb 2.12 2.83 0.00 0.00 -1.74 0.00 0.00 68.15 71.35 3dww h THR 114 CO 0.22 0.83 -0.48 0.58 0.37 0.00 0.00 175.52 177.03 3dww h VAL 115 N 0.14 0.00 0.08 3.16 2.07 -1.47 -2.79 116.25 117.44 3dww h VAL 115 Ca -0.15 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 3dww h VAL 115 Cb 1.92 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 3dww h VAL 115 CO 0.21 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.76 3dww h ALA 116 N 2.31 -0.69 -0.42 1.67 0.00 -1.68 -2.31 119.26 118.14 3dww h ALA 116 Ca 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.01 3dww h ALA 116 Cb 0.85 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3dww h ALA 116 CO 0.00 -0.69 0.46 -0.92 0.00 0.00 0.00 179.25 178.10 3dww h TYR 117 N -0.14 0.00 0.00 0.00 -0.00 -1.61 -3.10 116.97 112.12 3dww h TYR 117 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.72 3dww h TYR 117 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.81 3dww h TYR 117 CO 0.14 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.58 3dww n LEU 118 N -3.70 0.09 0.00 2.82 4.77 -1.05 -4.51 117.00 115.42 3dww n LEU 118 Ca 0.07 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3dww n LEU 118 Cb 0.63 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 3dww n LEU 118 CO 0.27 0.00 0.46 0.61 -1.33 0.00 0.00 177.39 177.40 3dww n GLY 119 N 0.14 -3.21 3.66 -0.72 0.00 -0.88 -4.33 105.19 99.85 3dww n GLY 119 Ca 0.00 0.60 -0.41 0.00 0.00 0.00 0.00 46.02 46.21 3dww n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dww s LYS 120 N -2.65 4.26 0.19 1.61 1.02 -1.22 -4.96 119.74 118.00 3dww s LYS 120 Ca 0.00 0.91 -0.11 0.00 0.02 0.00 0.00 55.97 56.79 3dww s LYS 120 Cb 0.00 -3.59 0.11 0.00 -0.52 0.00 0.00 37.83 33.84 3dww s LYS 120 CO 0.00 -0.34 1.81 -0.07 -0.92 0.00 0.00 175.35 175.84 3dww h LEU 121 N 8.43 0.83 -9.41 3.17 3.38 -1.81 -3.42 115.31 116.47 3dww h LEU 121 Ca -0.29 -0.08 -0.61 0.00 0.09 0.00 0.00 57.88 56.99 3dww h LEU 121 Cb 1.13 -0.21 0.05 0.00 0.09 0.00 0.00 40.66 41.72 3dww h LEU 121 CO 0.83 0.67 0.80 0.54 0.09 0.00 0.00 178.44 181.36 3dww n ARG 122 N -4.54 1.95 -0.29 1.13 1.74 -1.26 -4.94 116.66 110.46 3dww n ARG 122 Ca 0.05 0.71 -0.05 0.00 -0.77 0.00 0.00 57.85 57.79 3dww n ARG 122 Cb 0.08 -2.47 0.07 0.00 -1.02 0.00 0.00 32.46 29.12 3dww n ARG 122 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dww h ALA 123 N 6.31 1.03 -0.45 7.54 0.00 -1.95 -3.23 119.26 128.51 3dww h ALA 123 Ca -0.46 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.40 3dww h ALA 123 Cb 1.27 -0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.66 3dww h ALA 123 CO 0.88 0.55 -0.12 -2.30 0.00 0.00 0.00 179.25 178.27 3dww n PRO 124 N -4.40 -0.05 -0.33 0.00 -0.01 -1.26 -0.08 135.00 128.87 3dww n PRO 124 Ca 0.08 0.70 -0.01 0.00 -0.01 0.00 0.00 63.50 64.26 3dww n PRO 124 Cb 0.11 -1.05 0.03 0.00 -0.01 0.00 0.00 33.50 32.58 3dww n PRO 124 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 175.50 177.00 3dww n ILE 125 N -4.72 -0.45 0.30 4.25 3.06 -1.22 0.00 119.36 120.58 3dww n ILE 125 Ca 0.07 1.99 0.10 0.00 -2.50 0.00 0.00 62.75 62.41 3dww n ILE 125 Cb 0.22 -2.63 0.44 0.00 0.54 0.00 0.00 39.64 38.20 3dww n ILE 125 CO 0.00 0.00 0.00 -2.11 -2.50 0.00 0.00 176.55 171.94 3dww n ARG 126 N -5.25 0.13 -0.25 9.51 -4.01 0.88 -3.87 116.66 113.80 3dww n ARG 126 Ca 0.09 0.47 0.02 0.00 -1.04 0.00 0.00 57.85 57.38 3dww n ARG 126 Cb 0.34 -1.80 0.25 0.00 -3.04 0.00 0.00 32.46 28.21 3dww n ARG 126 CO 0.00 0.00 0.00 0.66 -3.04 0.00 0.00 177.63 175.25 3dww h SER 127 N 0.00 0.87 0.00 2.89 4.64 -0.53 -2.32 113.55 119.10 3dww h SER 127 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3dww h SER 127 Cb 0.20 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3dww h SER 127 CO 0.00 0.60 0.00 0.52 -0.87 0.00 0.00 176.83 177.08 3dww n VAL 128 N -4.45 0.00 -0.31 0.95 0.31 -1.25 -3.73 118.33 109.86 3dww n VAL 128 Ca 0.11 0.45 0.27 0.00 -0.01 0.00 0.00 64.34 65.15 3dww n VAL 128 Cb 0.11 -1.36 0.60 0.00 -0.91 0.00 0.00 33.84 32.28 3dww n VAL 128 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3dww h THR 129 N 0.00 0.49 -0.26 2.52 1.35 -1.82 0.62 112.91 115.81 3dww h THR 129 Ca 0.00 -0.08 -0.02 0.00 -0.55 0.00 0.00 66.41 65.76 3dww h THR 129 Cb 0.00 0.23 -0.01 0.00 -1.73 0.00 0.00 68.15 66.63 3dww h THR 129 CO 0.00 0.04 0.07 0.10 -0.25 0.00 0.00 175.52 175.49 3dww h TYR 130 N 0.24 0.36 -0.15 4.73 -0.00 -1.57 -0.71 116.97 119.88 3dww h TYR 130 Ca 0.57 -0.01 -0.16 0.00 0.00 0.00 0.00 58.73 59.13 3dww h TYR 130 Cb 1.73 -0.12 -0.01 0.00 0.00 0.00 0.00 36.73 38.34 3dww h TYR 130 CO -0.00 0.32 -0.58 1.15 -0.00 0.00 0.00 178.16 179.05 3dww h THR 131 N 0.37 1.34 0.00 -0.90 2.02 0.11 -2.03 112.91 113.81 3dww h THR 131 Ca 0.09 -1.86 0.00 0.00 0.77 0.00 0.00 66.41 65.41 3dww h THR 131 Cb 0.13 1.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 3dww h THR 131 CO -0.01 0.57 0.00 -0.07 0.37 0.00 0.00 175.52 176.38 3dww h LEU 132 N 0.37 0.00 0.00 2.58 3.38 -0.09 -2.92 115.31 118.62 3dww h LEU 132 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 3dww h LEU 132 Cb 1.12 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 3dww h LEU 132 CO 0.10 0.00 -2.23 0.00 0.09 0.00 0.00 178.44 176.40 3dww n ALA 133 N -1.80 1.55 -0.11 1.53 0.00 -0.67 -4.60 120.51 116.42 3dww n ALA 133 Ca 0.00 -1.10 -0.08 0.00 0.00 0.00 0.00 53.44 52.26 3dww n ALA 133 Cb 0.15 -0.09 -0.01 0.00 0.00 0.00 0.00 19.45 19.50 3dww n ALA 133 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3dww h GLN 134 N 0.00 0.47 -0.68 0.00 4.20 -1.17 -3.04 115.11 114.89 3dww h GLN 134 Ca -0.49 -0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.30 3dww h GLN 134 Cb 1.99 -0.11 -0.07 0.00 0.30 0.00 0.00 27.48 29.59 3dww h GLN 134 CO -0.01 0.31 0.30 -0.07 -0.67 0.00 0.00 178.83 178.70 3dww h LEU 135 N 0.48 0.36 -1.68 1.46 3.38 -1.82 -1.38 115.31 116.11 3dww h LEU 135 Ca 0.13 0.07 0.39 0.00 0.09 0.00 0.00 57.88 58.56 3dww h LEU 135 Cb -0.05 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 40.63 3dww h LEU 135 CO -0.03 0.20 0.90 -0.65 0.09 0.00 0.00 178.44 178.95 3dww h PRO 136 N 0.51 0.11 0.00 1.13 0.11 -1.78 0.27 132.00 132.36 3dww h PRO 136 Ca 0.34 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.39 3dww h PRO 136 Cb 0.41 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.49 3dww h PRO 136 CO -0.30 0.08 -0.27 0.00 -0.21 0.00 0.00 178.00 177.30 3dww h ALA 138 N 1.73 0.04 0.28 0.00 0.00 -0.74 -0.86 119.26 119.71 3dww h ALA 138 Ca -0.00 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.97 3dww h ALA 138 Cb 0.70 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3dww h ALA 138 CO 0.03 0.69 -0.29 0.66 0.00 0.00 0.00 179.25 180.35 3dww h SER 139 N -0.20 -0.79 -0.34 0.00 4.64 -0.57 0.24 113.55 116.52 3dww h SER 139 Ca -0.25 0.07 0.08 0.00 -0.47 0.00 0.00 61.79 61.21 3dww h SER 139 Cb 1.84 0.27 -0.08 0.00 -0.31 0.00 0.00 62.40 64.12 3dww h SER 139 CO 0.14 -0.42 -0.25 0.24 -0.87 0.00 0.00 176.83 175.67 3dww h MET 140 N -0.61 -0.20 -0.60 4.77 2.86 -1.10 0.35 114.93 120.39 3dww h MET 140 Ca -0.01 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.76 3dww h MET 140 Cb 0.56 0.05 -0.12 0.00 0.06 0.00 0.00 31.60 32.15 3dww h MET 140 CO -0.06 -0.14 -0.16 0.00 1.06 0.00 0.00 176.91 177.61 3dww h ALA 141 N 0.90 0.38 0.25 6.32 0.00 -0.32 1.06 119.26 127.85 3dww h ALA 141 Ca 0.17 0.23 -0.34 0.00 0.00 0.00 0.00 54.91 54.98 3dww h ALA 141 Cb 0.48 0.48 0.04 0.00 0.00 0.00 0.00 17.79 18.79 3dww h ALA 141 CO -0.47 -0.44 -1.46 -0.07 0.00 0.00 0.00 179.25 176.81 3dww h LEU 142 N -0.01 0.85 -1.23 0.00 3.38 -0.35 -1.07 115.31 116.88 3dww h LEU 142 Ca 0.29 -0.90 -0.08 0.00 0.09 0.00 0.00 57.88 57.28 3dww h LEU 142 Cb 0.45 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3dww h LEU 142 CO -0.63 1.70 -0.38 1.56 0.09 0.00 0.00 178.44 180.79 3dww h GLN 143 N 0.16 0.00 -0.06 1.13 4.20 0.07 -2.09 115.11 118.52 3dww h GLN 143 Ca -0.25 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.44 3dww h GLN 143 Cb 2.15 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.93 3dww h GLN 143 CO 0.27 0.38 -0.04 0.82 -0.67 0.00 0.00 178.83 179.59 3dww h ILE 144 N 0.00 1.35 0.00 2.54 2.04 0.12 -3.32 117.51 120.23 3dww h ILE 144 Ca -0.00 -1.12 -0.06 0.00 1.00 0.00 0.00 64.86 64.68 3dww h ILE 144 Cb 0.69 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 3dww h ILE 144 CO 0.05 0.31 -0.29 -0.07 0.00 0.00 0.00 178.15 178.14 3dww h LEU 145 N -0.27 0.00 -0.08 1.44 3.38 -1.01 -1.21 115.31 117.57 3dww h LEU 145 Ca 0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3dww h LEU 145 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3dww h LEU 145 CO 0.01 0.29 -0.39 -0.50 0.09 0.00 0.00 178.44 177.95 3dww h TRP 146 N 0.00 0.55 -0.58 1.13 -0.00 -1.51 -0.29 115.95 115.24 3dww h TRP 146 Ca -0.00 -0.24 0.10 0.00 -0.00 0.00 0.00 58.89 58.75 3dww h TRP 146 Cb 0.57 -0.09 -0.07 0.00 -0.00 0.00 0.00 29.16 29.57 3dww h TRP 146 CO 0.00 0.99 0.18 1.49 -0.00 0.00 0.00 178.44 181.10 3dww h GLU 147 N -0.05 0.32 0.00 0.49 4.81 -1.64 0.37 114.58 118.88 3dww h GLU 147 Ca -0.02 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3dww h GLU 147 Cb 1.03 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.34 3dww h GLU 147 CO 0.08 0.21 0.00 0.00 -0.73 0.00 0.00 179.01 178.57 3dww n ALA 148 N -2.51 1.20 -0.03 2.92 0.00 -0.46 -1.74 120.51 119.89 3dww n ALA 148 Ca 0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.52 3dww n ALA 148 Cb 0.28 -1.09 -0.09 0.00 0.00 0.00 0.00 19.45 18.55 3dww n ALA 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dww n ALA 149 N -1.52 2.06 -0.05 0.00 0.00 0.33 -4.13 120.51 117.20 3dww n ALA 149 Ca 0.01 -0.53 -0.13 0.00 0.00 0.00 0.00 53.44 52.79 3dww n ALA 149 Cb 0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 19.45 19.32 3dww n ALA 149 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3dww h ARG 150 N 0.00 0.76 -0.53 0.00 2.43 0.00 -3.21 114.38 113.84 3dww h ARG 150 Ca -0.16 -0.47 -0.04 0.00 -0.81 0.00 0.00 59.98 58.49 3dww h ARG 150 Cb 1.17 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 3dww h ARG 150 CO 0.01 1.10 0.17 0.45 -1.51 0.00 0.00 179.97 180.19 3dww h HIS 151 N 0.59 0.84 -0.00 2.20 3.86 -1.55 -3.51 115.15 117.58 3dww h HIS 151 Ca 0.02 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 3dww h HIS 151 Cb 1.11 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 29.34 3dww h HIS 151 CO 0.06 0.72 0.00 1.28 0.86 0.00 0.00 177.93 180.85