#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 -0.17 -0.33 3.55 0.00 -1.26 -3.30 120.51 118.99 3dww n ALA 12 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 53.44 53.68 3dww n ALA 12 Cb 0.00 0.00 0.45 0.00 0.00 0.00 0.00 19.45 19.90 3dww n ALA 12 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3dww n LEU 13 N -1.17 0.13 -0.35 0.00 4.77 -1.26 -0.30 117.00 118.81 3dww n LEU 13 Ca 0.00 1.68 0.02 0.00 -0.03 0.00 0.00 56.01 57.68 3dww n LEU 13 Cb 0.00 -0.72 0.09 0.00 -2.33 0.00 0.00 43.42 40.45 3dww n LEU 13 CO 0.00 -1.79 0.63 -0.65 -1.33 0.00 0.00 177.39 174.24 3dww h PRO 14 N 0.00 -0.01 -0.79 3.23 0.11 -2.02 0.29 132.00 132.81 3dww h PRO 14 Ca 0.74 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.83 3dww h PRO 14 Cb 1.78 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.86 3dww h PRO 14 CO -0.85 -0.01 0.42 0.00 -0.21 0.00 0.00 178.00 177.36 3dww h ALA 15 N 1.66 1.01 0.00 -0.75 0.00 -0.65 -3.29 119.26 117.25 3dww h ALA 15 Ca 0.40 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3dww h ALA 15 Cb 0.65 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3dww h ALA 15 CO -0.98 0.54 -0.02 0.74 0.00 0.00 0.00 179.25 179.53 3dww h PHE 16 N 1.10 0.00 -0.01 0.00 -1.00 -0.55 -3.38 116.94 113.11 3dww h PHE 16 Ca 0.28 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.95 3dww h PHE 16 Cb 0.05 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 3dww h PHE 16 CO 0.00 0.02 -0.49 -0.07 -1.61 0.00 0.00 178.31 176.16 3dww h LEU 17 N 0.00 0.03 -1.49 1.54 3.38 -0.63 -2.18 115.31 115.96 3dww h LEU 17 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3dww h LEU 17 Cb 0.90 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3dww h LEU 17 CO 0.00 0.51 -0.04 0.18 0.09 0.00 0.00 178.44 179.19 3dww n LEU 18 N -3.96 2.35 0.23 1.67 4.77 -1.26 -3.89 117.00 116.92 3dww n LEU 18 Ca -0.02 -0.78 -0.15 0.00 -0.03 0.00 0.00 56.01 55.04 3dww n LEU 18 Cb 0.51 -0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 3dww n LEU 18 CO 0.41 0.39 0.56 0.00 -1.33 0.00 0.00 177.39 177.42 3dww h SER 20 N -0.83 0.04 0.09 0.00 4.64 -1.70 -3.25 113.55 112.55 3dww h SER 20 Ca -0.06 0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3dww h SER 20 Cb 0.56 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3dww h SER 20 CO 0.10 0.04 -0.04 0.74 -0.87 0.00 0.00 176.83 176.80 3dww h THR 21 N 0.27 0.43 -0.93 2.95 2.02 -1.67 -3.19 112.91 112.80 3dww h THR 21 Ca 0.27 -1.18 0.22 0.00 0.77 0.00 0.00 66.41 66.49 3dww h THR 21 Cb 0.37 0.79 -0.07 0.00 -1.74 0.00 0.00 68.15 67.50 3dww h THR 21 CO -0.34 0.14 0.62 -0.07 0.37 0.00 0.00 175.52 176.24 3dww h LEU 22 N -1.00 0.36 -0.02 2.58 3.38 -1.46 0.54 115.31 119.68 3dww h LEU 22 Ca -0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3dww h LEU 22 Cb 0.32 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3dww h LEU 22 CO 0.02 0.13 -0.02 0.18 0.09 0.00 0.00 178.44 178.84 3dww n LEU 23 N -4.50 0.05 -0.04 1.67 4.77 -1.22 -2.41 117.00 115.32 3dww n LEU 23 Ca 0.20 0.28 -0.13 0.00 -0.03 0.00 0.00 56.01 56.33 3dww n LEU 23 Cb 0.77 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 3dww n LEU 23 CO 0.31 0.01 0.58 0.58 -1.33 0.00 0.00 177.39 177.54 3dww h VAL 24 N 0.05 1.39 -0.31 4.08 2.07 0.11 0.30 116.25 123.94 3dww h VAL 24 Ca 0.00 -1.35 0.09 0.00 0.82 0.00 0.00 66.70 66.26 3dww h VAL 24 Cb 0.32 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 3dww h VAL 24 CO 0.00 0.38 0.50 0.40 0.02 0.00 0.00 177.57 178.87 3dww h ILE 25 N -0.22 0.20 0.00 4.57 2.04 -1.41 2.13 117.51 124.83 3dww h ILE 25 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 3dww h ILE 25 Cb 0.67 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3dww h ILE 25 CO 0.03 0.00 -0.57 1.17 0.00 0.00 0.00 178.15 178.78 3dww n LYS 26 N -3.35 0.33 0.06 2.37 3.00 -1.08 -3.77 118.16 115.72 3dww n LYS 26 Ca 0.05 0.20 -0.01 0.00 -0.00 0.00 0.00 58.31 58.56 3dww n LYS 26 Cb 0.64 -1.16 -0.06 0.00 0.00 0.00 0.00 35.03 34.44 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 -0.65 0.00 0.00 1.64 2.86 -0.44 -3.36 114.93 114.98 3dww h MET 27 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dww h MET 27 Cb 0.57 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 3dww h MET 27 CO 0.00 0.45 -0.72 0.98 1.06 0.00 0.00 176.91 178.68 3dww n TYR 28 N -3.05 0.00 0.40 -0.22 9.36 -0.11 -3.51 117.16 120.03 3dww n TYR 28 Ca -0.06 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.28 3dww n TYR 28 Cb 0.84 0.00 0.28 0.00 -0.63 0.00 0.00 39.34 39.83 3dww n TYR 28 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3dww h VAL 29 N 0.00 0.00 0.12 2.97 2.07 0.32 -1.11 116.25 120.62 3dww h VAL 29 Ca 0.00 -0.77 -0.36 0.00 0.82 0.00 0.00 66.70 66.39 3dww h VAL 29 Cb 0.00 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 3dww h VAL 29 CO 0.00 0.00 -1.98 0.52 0.02 0.00 0.00 177.57 176.13 3dww n VAL 30 N -2.74 1.77 -0.27 2.57 0.31 -1.25 -2.94 118.33 115.79 3dww n VAL 30 Ca 0.05 -0.63 0.13 0.00 -0.01 0.00 0.00 64.34 63.88 3dww n VAL 30 Cb 0.48 -1.74 0.39 0.00 -0.91 0.00 0.00 33.84 32.06 3dww n VAL 30 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dww h ALA 31 N 0.04 1.87 -1.69 3.52 0.00 -1.64 -3.05 119.26 118.32 3dww h ALA 31 Ca -0.42 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3dww h ALA 31 Cb 2.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.68 3dww h ALA 31 CO 0.07 -0.12 0.00 -0.89 0.00 0.00 0.00 179.25 178.31 3dww n ILE 32 N -4.57 0.00 -0.31 0.00 5.41 -0.42 -3.18 119.36 116.29 3dww n ILE 32 Ca 0.18 0.90 0.16 0.00 1.00 0.00 0.00 62.75 64.99 3dww n ILE 32 Cb 0.50 -1.73 0.33 0.00 -0.71 0.00 0.00 39.64 38.04 3dww n ILE 32 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3dww h ILE 33 N 0.00 0.29 0.00 1.39 2.04 -1.66 0.11 117.51 119.68 3dww h ILE 33 Ca 0.00 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 3dww h ILE 33 Cb 0.00 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.13 3dww h ILE 33 CO 0.00 0.04 -0.04 0.71 0.00 0.00 0.00 178.15 178.86 3dww h THR 34 N 0.22 0.32 0.00 -0.27 1.35 -1.65 1.51 112.91 114.38 3dww h THR 34 Ca 0.60 -0.22 -0.33 0.00 -0.55 0.00 0.00 66.41 65.91 3dww h THR 34 Cb 1.26 1.16 -0.05 0.00 -1.73 0.00 0.00 68.15 68.78 3dww h THR 34 CO -0.66 0.04 -2.00 0.61 -0.25 0.00 0.00 175.52 173.25 3dww n GLY 35 N -0.91 -0.55 0.36 5.82 0.00 0.26 -2.99 105.19 107.17 3dww n GLY 35 Ca -0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 46.02 45.83 3dww n GLY 35 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dww n GLN 36 N -4.33 -0.27 -0.16 1.61 1.13 -0.40 -0.23 117.38 114.73 3dww n GLN 36 Ca -0.42 1.40 -0.11 0.00 -1.94 0.00 0.00 57.00 55.93 3dww n GLN 36 Cb 0.77 -2.08 -0.00 0.00 0.11 0.00 0.00 30.24 29.04 3dww n GLN 36 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3dww h VAL 37 N 0.00 1.27 0.15 5.09 2.07 0.19 -3.14 116.25 121.88 3dww h VAL 37 Ca 0.27 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 3dww h VAL 37 Cb 0.50 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3dww h VAL 37 CO -0.90 0.44 -0.07 -0.09 0.02 0.00 0.00 177.57 176.97 3dww h ARG 38 N 0.80 -0.19 -1.36 1.57 2.43 -1.24 0.05 114.38 116.44 3dww h ARG 38 Ca 0.12 0.01 0.40 0.00 -0.81 0.00 0.00 59.98 59.70 3dww h ARG 38 Cb 0.70 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 30.23 3dww h ARG 38 CO 0.05 -0.13 0.96 -0.07 -1.51 0.00 0.00 179.97 179.27 3dww h LEU 39 N -0.67 0.07 0.13 3.80 3.38 -0.78 1.06 115.31 122.31 3dww h LEU 39 Ca -0.02 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3dww h LEU 39 Cb 0.15 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3dww h LEU 39 CO 0.03 -0.01 -0.06 0.03 0.09 0.00 0.00 178.44 178.52 3dww h ARG 40 N 0.05 -0.17 -0.25 1.13 3.08 -1.56 -3.33 114.38 113.33 3dww h ARG 40 Ca 0.68 0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.81 3dww h ARG 40 Cb 2.55 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 32.63 3dww h ARG 40 CO -0.08 -0.12 0.19 0.87 -1.07 0.00 0.00 179.97 179.76 3dww h LYS 41 N -0.45 0.00 -0.92 0.04 1.57 -0.37 -3.46 116.57 112.98 3dww h LYS 41 Ca -0.02 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 3dww h LYS 41 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 3dww h LYS 41 CO 0.03 0.00 0.13 1.17 -0.57 0.00 0.00 179.45 180.21 3dww n LYS 42 N -4.39 0.00 -1.23 3.15 3.00 0.36 -4.83 118.16 114.23 3dww n LYS 42 Ca 0.03 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.06 3dww n LYS 42 Cb 0.34 -0.23 0.13 0.00 0.00 0.00 0.00 35.03 35.26 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 0.73 5.83 -1.89 3.14 0.00 -1.26 -4.97 120.51 122.09 3dww n ALA 43 Ca 0.06 -3.03 -0.32 0.00 0.00 0.00 0.00 53.44 50.15 3dww n ALA 43 Cb -0.01 -1.58 -0.03 0.00 0.00 0.00 0.00 19.45 17.84 3dww n ALA 43 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3dww s PHE 44 N -3.38 3.49 0.00 0.00 0.40 -1.26 -3.51 117.98 113.71 3dww s PHE 44 Ca 0.58 1.39 0.00 0.00 -0.60 0.00 0.00 56.93 58.30 3dww s PHE 44 Cb 0.47 -2.74 0.00 0.00 0.51 0.00 0.00 43.02 41.26 3dww s PHE 44 CO 0.05 -0.39 0.00 0.00 0.70 0.00 0.00 175.22 175.58 3dww n ALA 45 N -1.75 0.00 -1.29 5.36 0.00 -1.26 -5.06 120.51 116.50 3dww n ALA 45 Ca 0.06 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 52.99 3dww n ALA 45 Cb 0.54 -0.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 3dww n ALA 45 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dww n ASN 46 N 0.09 0.27 0.00 0.00 5.03 -1.23 -2.60 115.26 116.81 3dww n ASN 46 Ca 0.00 0.96 0.00 0.00 0.87 0.00 0.00 54.58 56.41 3dww n ASN 46 Cb 0.00 -0.75 0.00 0.00 -1.02 0.00 0.00 39.78 38.01 3dww n ASN 46 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 3dww n PRO 47 N 1.80 0.00 -2.72 3.52 -0.01 -1.26 -2.00 135.00 134.33 3dww n PRO 47 Ca 0.19 0.00 -0.04 0.00 -0.01 0.00 0.00 63.50 63.64 3dww n PRO 47 Cb 0.03 0.00 -0.03 0.00 -0.01 0.00 0.00 33.50 33.49 3dww n PRO 47 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 175.50 173.58 3dww n GLU 48 N 0.00 -3.70 -3.66 -0.52 2.13 -1.07 -5.06 120.64 108.76 3dww n GLU 48 Ca 0.00 2.85 -0.06 0.00 0.66 0.00 0.00 57.16 60.61 3dww n GLU 48 Cb 0.00 -3.86 -0.08 0.00 0.27 0.00 0.00 31.44 27.78 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 -0.47 -0.61 -0.34 4.31 2.15 -0.84 -5.07 116.67 115.80 3dww s ASP 49 Ca -0.20 1.21 -0.23 0.00 0.43 0.00 0.00 52.55 53.76 3dww s ASP 49 Cb 0.01 1.62 0.00 0.00 -0.30 0.00 0.00 42.92 44.26 3dww s ASP 49 CO 0.55 -0.23 0.76 0.00 -0.17 0.00 0.00 175.17 176.08 3dww s ALA 50 N 2.56 3.47 1.00 3.66 0.00 -1.26 -4.49 121.76 126.70 3dww s ALA 50 Ca -0.04 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.33 3dww s ALA 50 Cb -0.11 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.70 3dww s ALA 50 CO -0.15 -1.34 0.00 1.47 0.00 0.00 0.00 175.76 175.74 3dww n LEU 51 N 6.28 0.00 -0.27 0.00 -0.00 -1.26 -4.99 117.00 116.76 3dww n LEU 51 Ca 0.03 0.00 0.02 0.00 -0.00 0.00 0.00 56.01 56.06 3dww n LEU 51 Cb 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.89 3dww n LEU 51 CO 0.52 -0.24 -0.11 -2.11 -0.00 0.00 0.00 177.39 175.45 3dww n ARG 52 N 0.00 -0.65 -2.05 1.47 1.85 -1.26 -5.13 116.66 110.89 3dww n ARG 52 Ca 0.00 0.52 -0.02 0.00 -1.00 0.00 0.00 57.85 57.35 3dww n ARG 52 Cb 0.00 -0.71 -0.02 0.00 -1.05 0.00 0.00 32.46 30.69 3dww n ARG 52 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 3dww n HIS 53 N -2.16 -3.05 -3.58 2.89 1.44 -1.26 -5.04 115.22 104.45 3dww n HIS 53 Ca -0.01 1.80 -0.27 0.00 -2.01 0.00 0.00 57.72 57.22 3dww n HIS 53 Cb 0.11 -3.15 -0.10 0.00 0.12 0.00 0.00 29.99 26.97 3dww n HIS 53 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3dww n GLY 54 N 1.15 3.95 1.08 -1.39 0.00 -1.26 -4.86 105.19 103.86 3dww n GLY 54 Ca -0.15 -2.38 -0.04 0.00 0.00 0.00 0.00 46.02 43.44 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 1.60 0.36 0.00 -0.02 0.00 -1.26 -4.40 105.19 101.46 3dww n GLY 55 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.17 0.00 -2.74 1.61 -0.04 -1.26 -4.90 135.00 127.49 3dww n PRO 56 Ca -0.19 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.85 3dww n PRO 56 Cb 0.60 -0.06 -0.03 0.00 -0.04 0.00 0.00 33.50 33.97 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 0.00 4.55 0.20 0.54 -0.21 -1.26 -4.92 119.66 118.55 3dww s GLN 57 Ca 0.00 1.37 -0.17 0.00 0.02 0.00 0.00 55.36 56.58 3dww s GLN 57 Cb 0.00 -3.46 0.19 0.00 1.00 0.00 0.00 33.01 30.74 3dww s GLN 57 CO 0.00 -0.04 1.60 0.10 -2.12 0.00 0.00 175.29 174.83 3dww h TYR 58 N 6.80 -0.64 -0.01 0.91 -0.00 -1.95 0.28 116.97 122.36 3dww h TYR 58 Ca -0.41 0.07 0.00 0.00 0.00 0.00 0.00 58.73 58.39 3dww h TYR 58 Cb 1.22 0.37 -0.00 0.00 0.00 0.00 0.00 36.73 38.32 3dww h TYR 58 CO 0.68 -0.34 0.19 0.00 -0.00 0.00 0.00 178.16 178.69 3dww n ARG 60 N -3.00 0.54 -0.04 0.00 0.00 -0.64 -4.93 116.66 108.60 3dww n ARG 60 Ca -0.02 0.22 -0.04 0.00 -0.00 0.00 0.00 57.85 58.01 3dww n ARG 60 Cb 0.25 -1.43 -0.01 0.00 0.00 0.00 0.00 32.46 31.26 3dww n ARG 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3dww n SER 61 N -4.36 0.95 -0.26 6.15 3.41 -0.01 -4.58 113.62 114.92 3dww n SER 61 Ca -0.29 0.16 0.06 0.00 -0.26 0.00 0.00 58.87 58.55 3dww n SER 61 Cb 0.65 -0.56 0.18 0.00 -0.26 0.00 0.00 64.21 64.22 3dww n SER 61 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3dww h ASP 62 N -0.45 -0.18 0.20 4.04 5.19 -1.70 0.05 116.42 123.57 3dww h ASP 62 Ca 0.00 0.18 -0.32 0.00 -0.62 0.00 0.00 57.03 56.27 3dww h ASP 62 Cb 0.45 0.28 0.02 0.00 0.18 0.00 0.00 39.33 40.26 3dww h ASP 62 CO 0.00 -0.13 -1.52 1.55 -3.12 0.00 0.00 179.24 176.02 3dww h PRO 63 N 0.17 0.42 0.00 3.56 0.13 -1.89 -3.20 132.00 131.19 3dww h PRO 63 Ca 0.43 -0.72 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3dww h PRO 63 Cb 0.78 0.27 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3dww h PRO 63 CO -0.61 1.35 0.00 -3.47 -0.23 0.00 0.00 178.00 175.03 3dww n ASP 64 N -3.74 0.00 -0.33 1.44 2.03 -0.94 0.13 116.55 115.15 3dww n ASP 64 Ca -0.21 0.45 0.28 0.00 0.52 0.00 0.00 54.79 55.82 3dww n ASP 64 Cb 1.04 0.00 0.52 0.00 -0.72 0.00 0.00 41.12 41.96 3dww n ASP 64 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3dww h VAL 65 N 0.00 0.12 0.00 5.18 2.07 -1.19 0.46 116.25 122.89 3dww h VAL 65 Ca 0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3dww h VAL 65 Cb 0.00 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 29.75 3dww h VAL 65 CO 0.00 0.02 0.00 1.21 0.02 0.00 0.00 177.57 178.82 3dww n GLU 66 N -5.19 0.00 -0.12 1.57 2.13 -1.13 -2.72 120.64 115.17 3dww n GLU 66 Ca 0.34 0.47 -0.05 0.00 0.66 0.00 0.00 57.16 58.59 3dww n GLU 66 Cb 1.13 -1.42 0.02 0.00 0.27 0.00 0.00 31.44 31.44 3dww n GLU 66 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3dww h ARG 67 N 0.00 0.06 -0.88 5.31 3.08 0.55 2.76 114.38 125.25 3dww h ARG 67 Ca 0.00 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.13 3dww h ARG 67 Cb 0.00 -0.01 -0.11 0.00 0.08 0.00 0.00 29.97 29.93 3dww h ARG 67 CO 0.00 0.04 -0.51 0.00 -1.07 0.00 0.00 179.97 178.43 3dww h LEU 69 N 0.00 0.00 0.06 0.00 3.38 -0.46 -2.90 115.31 115.39 3dww h LEU 69 Ca 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 3dww h LEU 69 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3dww h LEU 69 CO -0.83 0.47 -0.03 0.03 0.09 0.00 0.00 178.44 178.17 3dww h ARG 70 N 0.00 -0.08 0.14 1.13 2.47 0.60 -1.23 114.38 117.41 3dww h ARG 70 Ca -0.01 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 3dww h ARG 70 Cb 1.37 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.71 3dww h ARG 70 CO 0.06 0.18 -0.07 0.00 0.56 0.00 0.00 179.97 180.70 3dww h ALA 71 N 0.60 -0.19 0.02 0.04 0.00 -1.07 -3.25 119.26 115.41 3dww h ALA 71 Ca -0.01 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3dww h ALA 71 Cb 0.29 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3dww h ALA 71 CO 0.01 -0.58 -0.39 0.45 0.00 0.00 0.00 179.25 178.75 3dww h HIS 72 N -0.24 -1.13 -0.57 0.00 3.86 -1.44 0.52 115.15 116.14 3dww h HIS 72 Ca -0.02 0.03 0.12 0.00 -1.16 0.00 0.00 60.37 59.34 3dww h HIS 72 Cb 0.19 0.49 -0.03 0.00 1.06 0.00 0.00 27.41 29.12 3dww h HIS 72 CO -0.05 -0.42 0.39 0.00 0.86 0.00 0.00 177.93 178.71 3dww h ARG 73 N -0.50 0.26 0.03 2.45 3.08 -1.38 0.34 114.38 118.65 3dww h ARG 73 Ca 0.01 -0.02 -0.18 0.00 0.07 0.00 0.00 59.98 59.86 3dww h ARG 73 Cb 0.53 -0.06 0.02 0.00 0.08 0.00 0.00 29.97 30.53 3dww h ARG 73 CO -0.25 0.17 -0.74 -0.91 -1.07 0.00 0.00 179.97 177.18 3dww h ASN 74 N 0.27 0.60 -0.30 7.04 2.35 -1.41 -2.89 115.58 121.24 3dww h ASN 74 Ca 0.27 -0.79 0.05 0.00 -0.55 0.00 0.00 56.30 55.28 3dww h ASN 74 Cb 0.71 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.85 3dww h ASN 74 CO -0.06 1.31 0.00 0.44 -1.65 0.00 0.00 177.43 177.48 3dww h ASP 75 N -0.05 -0.11 -0.31 5.81 5.19 0.11 -3.11 116.42 123.95 3dww h ASP 75 Ca -0.10 0.07 0.07 0.00 -0.62 0.00 0.00 57.03 56.45 3dww h ASP 75 Cb 1.45 0.12 -0.08 0.00 0.18 0.00 0.00 39.33 41.00 3dww h ASP 75 CO 0.14 -0.02 -0.29 0.24 -3.12 0.00 0.00 179.24 176.19 3dww h MET 76 N 0.09 -0.26 0.00 3.56 2.86 -0.43 -3.21 114.93 117.54 3dww h MET 76 Ca 0.14 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 3dww h MET 76 Cb 0.19 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 3dww h MET 76 CO -0.24 -0.17 -0.14 0.93 1.06 0.00 0.00 176.91 178.36 3dww h GLU 77 N -0.27 0.00 -0.04 1.72 5.08 -1.44 -3.06 114.58 116.58 3dww h GLU 77 Ca 0.15 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.26 3dww h GLU 77 Cb 0.51 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.78 3dww h GLU 77 CO -0.46 0.14 -0.97 1.15 -1.00 0.00 0.00 179.01 177.87 3dww h THR 78 N 0.00 1.28 0.00 1.13 2.02 -1.61 -3.39 112.91 112.35 3dww h THR 78 Ca -0.00 -2.17 0.00 0.00 0.77 0.00 0.00 66.41 65.01 3dww h THR 78 Cb 0.95 2.29 0.00 0.00 -1.74 0.00 0.00 68.15 69.65 3dww h THR 78 CO 0.02 0.67 0.00 -0.38 0.37 0.00 0.00 175.52 176.20 3dww n ILE 79 N -3.89 0.00 -0.11 3.11 5.41 -1.15 -3.21 119.36 119.52 3dww n ILE 79 Ca -0.10 1.25 -0.10 0.00 1.00 0.00 0.00 62.75 64.80 3dww n ILE 79 Cb 0.84 -1.79 -0.04 0.00 -0.71 0.00 0.00 39.64 37.94 3dww n ILE 79 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 3dww h TYR 80 N 0.00 -1.18 -0.07 1.39 -1.99 -1.75 0.11 116.97 113.48 3dww h TYR 80 Ca 0.00 0.06 -0.00 0.00 2.00 0.00 0.00 58.73 60.79 3dww h TYR 80 Cb 0.00 0.57 -0.00 0.00 2.00 0.00 0.00 36.73 39.30 3dww h TYR 80 CO -0.41 -0.44 0.04 -1.35 -0.00 0.00 0.00 178.16 176.00 3dww h PRO 81 N -0.34 0.09 0.01 4.88 0.11 -1.79 -1.80 132.00 133.16 3dww h PRO 81 Ca 0.13 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.25 3dww h PRO 81 Cb 0.58 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 31.63 3dww h PRO 81 CO -0.54 0.12 -0.46 0.35 -0.21 0.00 0.00 178.00 177.26 3dww h PHE 82 N 0.04 -1.36 0.07 0.65 3.57 -1.28 -0.29 116.94 118.34 3dww h PHE 82 Ca 0.02 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 3dww h PHE 82 Cb 0.05 0.59 0.00 0.00 2.79 0.00 0.00 35.95 39.39 3dww h PHE 82 CO -0.05 -0.50 -0.03 1.37 -2.23 0.00 0.00 178.31 176.86 3dww h LEU 83 N -0.59 -0.08 -0.46 0.59 -0.00 -1.04 -1.71 115.31 112.02 3dww h LEU 83 Ca 0.01 -0.43 0.02 0.00 -0.00 0.00 0.00 57.88 57.48 3dww h LEU 83 Cb 0.63 0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 41.28 3dww h LEU 83 CO -0.30 0.59 0.28 0.15 -0.00 0.00 0.00 178.44 179.15 3dww h PHE 84 N -0.95 0.52 -0.56 0.17 -0.00 -1.46 3.45 116.94 118.10 3dww h PHE 84 Ca -0.01 0.02 -0.10 0.00 -0.00 0.00 0.00 57.97 57.88 3dww h PHE 84 Cb 0.51 -0.17 -0.02 0.00 -0.00 0.00 0.00 35.95 36.27 3dww h PHE 84 CO 0.12 0.30 -0.04 -0.07 -0.00 0.00 0.00 178.31 178.61 3dww h LEU 85 N 0.55 1.01 -1.18 0.59 3.38 -1.06 -2.76 115.31 115.84 3dww h LEU 85 Ca 0.18 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 3dww h LEU 85 Cb 0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3dww h LEU 85 CO -0.08 1.09 -0.35 1.23 0.09 0.00 0.00 178.44 180.42 3dww h GLY 86 N 0.90 0.00 0.32 0.83 0.00 -0.42 -3.13 103.07 101.57 3dww h GLY 86 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 3dww h GLY 86 CO 0.04 0.00 -0.02 0.74 0.00 0.00 0.00 176.54 177.30 3dww h PHE 87 N 0.00 -0.06 0.09 5.60 -1.00 0.65 -3.09 116.94 119.14 3dww h PHE 87 Ca -0.00 -0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.80 3dww h PHE 87 Cb 0.75 0.02 -0.04 0.00 3.61 0.00 0.00 35.95 40.29 3dww h PHE 87 CO 0.00 0.56 -0.27 0.28 -1.61 0.00 0.00 178.31 177.27 3dww h VAL 88 N -0.75 0.41 0.00 -0.55 2.07 -1.52 -1.46 116.25 114.45 3dww h VAL 88 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3dww h VAL 88 Cb 0.64 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3dww h VAL 88 CO 0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.60 3dww n TYR 89 N -5.38 0.00 -0.04 1.57 0.18 -1.18 -3.92 117.16 108.38 3dww n TYR 89 Ca -0.06 0.00 -0.00 0.00 1.88 0.00 0.00 57.90 59.72 3dww n TYR 89 Cb 0.29 -0.09 -0.00 0.00 -0.38 0.00 0.00 39.34 39.17 3dww n TYR 89 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 3dww h SER 90 N 0.00 -0.01 -1.35 9.48 4.64 -1.17 -3.41 113.55 121.73 3dww h SER 90 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 3dww h SER 90 Cb 0.08 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.06 3dww h SER 90 CO 0.00 0.47 1.39 -0.36 -0.87 0.00 0.00 176.83 177.46 3dww s PHE 91 N -1.55 2.65 0.00 4.77 0.40 -1.20 -3.10 117.98 119.94 3dww s PHE 91 Ca -0.00 -0.97 0.00 0.00 -0.60 0.00 0.00 56.93 55.36 3dww s PHE 91 Cb 0.00 -4.62 0.00 0.00 0.51 0.00 0.00 43.02 38.91 3dww s PHE 91 CO 0.00 -1.85 0.00 -0.11 0.70 0.00 0.00 175.22 173.96 3dww n LEU 92 N 8.42 0.00 -0.55 -0.37 7.94 -1.26 -5.02 117.00 126.16 3dww n LEU 92 Ca 0.32 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.22 3dww n LEU 92 Cb 0.50 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.45 3dww n LEU 92 CO 0.63 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.52 3dww n GLY 93 N 0.00 -1.18 0.00 -3.96 0.00 -1.18 -4.98 105.19 93.89 3dww n GLY 93 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 0.01 3.63 -3.90 1.61 -0.04 -1.26 -5.02 135.00 130.03 3dww n PRO 94 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 3dww n PRO 94 Cb 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.33 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 0.01 0.07 0.00 3.54 0.01 -1.26 -4.91 114.94 112.39 3dww s ASN 95 Ca 0.00 -0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.01 3dww s ASN 95 Cb 0.00 0.05 0.00 0.00 0.41 0.00 0.00 41.25 41.71 3dww s ASN 95 CO 0.00 -0.10 0.89 -2.65 -1.51 0.00 0.00 177.10 173.73 3dww n PRO 96 N 2.60 0.00 -0.15 -0.60 -0.02 -1.26 -1.85 135.00 133.71 3dww n PRO 96 Ca -0.16 0.40 -0.04 0.00 -2.02 0.00 0.00 63.50 61.68 3dww n PRO 96 Cb 0.58 -1.39 -0.04 0.00 -0.02 0.00 0.00 33.50 32.64 3dww n PRO 96 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3dww n PHE 97 N -1.69 -0.16 -0.01 6.00 3.01 -1.26 0.16 117.46 123.51 3dww n PHE 97 Ca 0.00 0.46 -0.09 0.00 1.01 0.00 0.00 57.45 58.83 3dww n PHE 97 Cb 0.00 -0.49 -0.06 0.00 -0.01 0.00 0.00 39.48 38.92 3dww n PHE 97 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3dww h VAL 98 N 0.00 0.00 0.00 -4.37 2.07 -1.99 0.60 116.25 112.56 3dww h VAL 98 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3dww h VAL 98 Cb 0.15 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 3dww h VAL 98 CO -0.35 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.24 3dww n ALA 99 N -2.82 1.64 0.05 1.67 0.00 -0.17 -1.52 120.51 119.36 3dww n ALA 99 Ca -0.03 -0.05 -0.17 0.00 0.00 0.00 0.00 53.44 53.19 3dww n ALA 99 Cb 0.22 -1.21 -0.14 0.00 0.00 0.00 0.00 19.45 18.32 3dww n ALA 99 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 3dww h TRP 100 N 0.00 0.42 0.19 0.00 4.06 0.33 -3.12 115.95 117.83 3dww h TRP 100 Ca 0.00 -0.31 -0.01 0.00 2.06 0.00 0.00 58.89 60.63 3dww h TRP 100 Cb 0.19 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.33 3dww h TRP 100 CO 0.00 1.40 -0.09 0.52 -3.56 0.00 0.00 178.44 176.71 3dww h MET 101 N 0.06 -0.25 -0.36 0.49 2.86 0.12 -2.42 114.93 115.44 3dww h MET 101 Ca -0.27 0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.42 3dww h MET 101 Cb 2.02 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 33.70 3dww h MET 101 CO 0.15 0.08 0.15 0.45 1.06 0.00 0.00 176.91 178.80 3dww h HIS 102 N -0.61 0.27 -0.32 -0.22 3.86 -1.54 -2.08 115.15 114.51 3dww h HIS 102 Ca -0.03 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 3dww h HIS 102 Cb 0.45 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 3dww h HIS 102 CO 0.03 0.13 0.11 0.74 0.86 0.00 0.00 177.93 179.81 3dww h PHE 103 N 0.32 0.51 0.58 2.45 -1.00 -1.60 -3.20 116.94 115.00 3dww h PHE 103 Ca 0.16 -0.05 -0.03 0.00 2.81 0.00 0.00 57.97 60.86 3dww h PHE 103 Cb 0.10 -0.15 0.01 0.00 3.61 0.00 0.00 35.95 39.52 3dww h PHE 103 CO -0.12 0.50 -0.28 -0.07 -1.61 0.00 0.00 178.31 176.73 3dww h LEU 104 N 0.37 -0.66 -0.67 1.54 3.38 -1.32 -3.24 115.31 114.70 3dww h LEU 104 Ca 0.11 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.19 3dww h LEU 104 Cb 0.22 0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.07 3dww h LEU 104 CO -0.01 -0.43 0.31 0.58 0.09 0.00 0.00 178.44 178.99 3dww h VAL 105 N -0.88 0.82 -0.33 1.22 2.07 -1.52 -1.81 116.25 115.82 3dww h VAL 105 Ca -0.08 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.32 3dww h VAL 105 Cb 0.60 0.24 -0.08 0.00 -1.52 0.00 0.00 31.29 30.53 3dww h VAL 105 CO 0.13 0.10 -0.41 -0.26 0.02 0.00 0.00 177.57 177.15 3dww h PHE 106 N 0.53 -1.18 -0.04 1.57 -1.00 -1.70 0.31 116.94 115.43 3dww h PHE 106 Ca 0.33 0.06 -0.00 0.00 2.81 0.00 0.00 57.97 61.17 3dww h PHE 106 Cb 0.37 0.56 -0.00 0.00 3.61 0.00 0.00 35.95 40.50 3dww h PHE 106 CO -0.13 -0.44 0.01 -0.07 -1.61 0.00 0.00 178.31 176.07 3dww h LEU 107 N -0.36 0.06 -1.16 1.54 3.38 -1.46 0.97 115.31 118.29 3dww h LEU 107 Ca 0.13 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3dww h LEU 107 Cb 0.59 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3dww h LEU 107 CO -0.52 0.32 0.00 0.58 0.09 0.00 0.00 178.44 178.91 3dww h VAL 108 N -0.19 0.00 0.16 1.22 2.07 -1.33 0.41 116.25 118.58 3dww h VAL 108 Ca 0.01 -0.51 -0.33 0.00 0.82 0.00 0.00 66.70 66.69 3dww h VAL 108 Cb 0.28 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3dww h VAL 108 CO 0.00 0.00 -1.62 1.23 0.02 0.00 0.00 177.57 177.20 3dww h GLY 109 N 2.33 0.38 1.87 2.17 0.00 -0.00 -3.29 103.07 106.53 3dww h GLY 109 Ca 0.00 -0.97 -0.18 0.00 0.00 0.00 0.00 47.33 46.18 3dww h GLY 109 CO 0.00 0.85 -0.93 -0.09 0.00 0.00 0.00 176.54 176.37 3dww h ARG 110 N 0.09 0.00 -0.16 4.80 9.65 0.14 -2.95 114.38 125.95 3dww h ARG 110 Ca -0.29 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.56 3dww h ARG 110 Cb 2.06 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 30.64 3dww h ARG 110 CO 0.18 0.78 -0.05 0.28 2.80 0.00 0.00 179.97 183.96 3dww h VAL 111 N 0.00 1.29 -0.10 0.20 2.07 -0.37 0.34 116.25 119.67 3dww h VAL 111 Ca -0.04 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 3dww h VAL 111 Cb 1.67 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 33.06 3dww h VAL 111 CO 0.10 0.30 0.04 0.00 0.02 0.00 0.00 177.57 178.04 3dww h ALA 112 N 0.71 1.88 0.42 1.67 0.00 -1.69 -2.17 119.26 120.08 3dww h ALA 112 Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3dww h ALA 112 Cb 0.49 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3dww h ALA 112 CO 0.02 0.10 -0.20 1.25 0.00 0.00 0.00 179.25 180.42 3dww h HIS 113 N 0.14 -0.52 -0.20 0.00 6.17 -1.20 -2.66 115.15 116.89 3dww h HIS 113 Ca 0.04 -0.01 0.05 0.00 0.71 0.00 0.00 60.37 61.15 3dww h HIS 113 Cb 0.03 0.17 -0.07 0.00 2.52 0.00 0.00 27.41 30.06 3dww h HIS 113 CO 0.00 -0.31 -0.47 1.15 0.71 0.00 0.00 177.93 179.01 3dww h THR 114 N -1.14 0.08 -0.59 6.26 2.02 -0.38 -2.91 112.91 116.25 3dww h THR 114 Ca -0.06 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.19 3dww h THR 114 Cb 0.44 0.08 -0.06 0.00 -1.74 0.00 0.00 68.15 66.88 3dww h THR 114 CO 0.09 0.00 0.28 0.58 0.37 0.00 0.00 175.52 176.84 3dww h VAL 115 N -0.48 0.90 0.14 3.16 2.07 -1.53 0.15 116.25 120.65 3dww h VAL 115 Ca 0.08 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 3dww h VAL 115 Cb 0.64 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3dww h VAL 115 CO -0.46 0.10 -0.16 0.00 0.02 0.00 0.00 177.57 177.06 3dww h ALA 116 N 1.34 -0.85 -0.57 1.67 0.00 -1.35 0.74 119.26 120.24 3dww h ALA 116 Ca 0.27 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.23 3dww h ALA 116 Cb 0.23 0.44 -0.11 0.00 0.00 0.00 0.00 17.79 18.35 3dww h ALA 116 CO -0.21 -0.86 -0.31 -0.92 0.00 0.00 0.00 179.25 176.95 3dww h TYR 117 N -0.31 -0.84 -0.95 0.00 -0.00 -1.49 -1.64 116.97 111.75 3dww h TYR 117 Ca -0.02 0.07 0.29 0.00 -0.00 0.00 0.00 58.73 59.08 3dww h TYR 117 Cb 0.27 0.45 -0.16 0.00 -0.00 0.00 0.00 36.73 37.30 3dww h TYR 117 CO -0.16 -0.37 0.31 -0.07 -0.00 0.00 0.00 178.16 177.87 3dww h LEU 118 N -0.15 0.06 0.00 2.82 3.38 -0.25 -3.38 115.31 117.79 3dww h LEU 118 Ca 0.23 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.43 3dww h LEU 118 Cb 0.54 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3dww h LEU 118 CO -0.66 -0.25 0.00 0.61 0.09 0.00 0.00 178.44 178.23 3dww n GLY 119 N -1.36 1.11 3.58 0.83 0.00 0.21 -4.66 105.19 104.91 3dww n GLY 119 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 3dww n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dww n LYS 120 N 0.00 1.73 -0.33 1.61 5.02 -1.23 -4.75 118.16 120.22 3dww n LYS 120 Ca 0.00 0.41 0.26 0.00 -2.02 0.00 0.00 58.31 56.97 3dww n LYS 120 Cb 0.00 -3.24 0.43 0.00 -0.02 0.00 0.00 35.03 32.20 3dww n LYS 120 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3dww n LEU 121 N 12.49 0.09 -4.58 -0.35 4.77 -1.26 -4.59 117.00 123.57 3dww n LEU 121 Ca 0.32 0.75 -0.32 0.00 -0.03 0.00 0.00 56.01 56.73 3dww n LEU 121 Cb 0.46 -0.37 0.14 0.00 -2.33 0.00 0.00 43.42 41.32 3dww n LEU 121 CO 0.68 -0.80 0.40 0.54 -1.33 0.00 0.00 177.39 176.87 3dww n ARG 122 N -3.64 -0.26 -0.06 3.23 1.74 -1.26 -4.92 116.66 111.49 3dww n ARG 122 Ca 0.25 -0.01 -0.22 0.00 -0.77 0.00 0.00 57.85 57.10 3dww n ARG 122 Cb 1.02 -2.18 -0.13 0.00 -1.02 0.00 0.00 32.46 30.15 3dww n ARG 122 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dww n ALA 123 N -3.78 1.02 -0.08 7.54 0.00 -1.26 -4.45 120.51 119.51 3dww n ALA 123 Ca 0.10 -0.74 0.25 0.00 0.00 0.00 0.00 53.44 53.06 3dww n ALA 123 Cb 0.52 -0.45 0.63 0.00 0.00 0.00 0.00 19.45 20.15 3dww n ALA 123 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3dww h PRO 124 N -0.25 0.00 0.00 0.00 0.13 -1.95 1.49 132.00 131.42 3dww h PRO 124 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3dww h PRO 124 Cb 1.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.96 3dww h PRO 124 CO -0.06 0.00 0.00 0.97 -0.23 0.00 0.00 178.00 178.68 3dww h ILE 125 N 0.00 0.00 0.00 -3.56 2.10 -1.93 -2.66 117.51 111.46 3dww h ILE 125 Ca 0.36 -0.31 -0.05 0.00 1.08 0.00 0.00 64.86 65.93 3dww h ILE 125 Cb 1.95 1.18 -0.01 0.00 -1.09 0.00 0.00 36.82 38.86 3dww h ILE 125 CO -0.00 0.00 -0.26 0.08 -1.08 0.00 0.00 178.15 176.89 3dww h ARG 126 N 0.00 0.00 -0.79 2.19 -0.00 0.18 -3.36 114.38 112.60 3dww h ARG 126 Ca 0.00 0.00 0.21 0.00 -0.00 0.00 0.00 59.98 60.19 3dww h ARG 126 Cb 0.35 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 30.28 3dww h ARG 126 CO 0.00 0.24 0.55 0.66 -0.00 0.00 0.00 179.97 181.42 3dww h SER 127 N 0.00 0.14 0.00 0.08 4.64 -1.57 -3.25 113.55 113.58 3dww h SER 127 Ca -0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3dww h SER 127 Cb 1.19 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3dww h SER 127 CO 0.03 0.06 0.00 0.52 -0.87 0.00 0.00 176.83 176.57 3dww n VAL 128 N -4.38 0.00 0.63 0.95 0.31 -1.26 -4.25 118.33 110.33 3dww n VAL 128 Ca 0.16 0.91 0.12 0.00 -0.01 0.00 0.00 64.34 65.52 3dww n VAL 128 Cb 0.77 -1.74 0.46 0.00 -0.91 0.00 0.00 33.84 32.42 3dww n VAL 128 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3dww n THR 129 N -1.22 0.60 0.17 2.52 -2.24 -1.24 -3.14 114.28 109.73 3dww n THR 129 Ca 0.00 0.02 0.02 0.00 -2.27 0.00 0.00 64.05 61.82 3dww n THR 129 Cb 0.00 -0.80 0.31 0.00 -2.10 0.00 0.00 70.33 67.75 3dww n THR 129 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 3dww h TYR 130 N 0.00 0.00 -0.27 4.78 -0.00 -1.74 0.52 116.97 120.27 3dww h TYR 130 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 58.73 58.57 3dww h TYR 130 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.22 3dww h TYR 130 CO 0.00 0.44 -0.48 1.15 -0.00 0.00 0.00 178.16 179.27 3dww h THR 131 N 0.00 1.29 0.00 -0.90 2.02 -1.72 0.63 112.91 114.23 3dww h THR 131 Ca -0.00 -1.67 0.00 0.00 0.77 0.00 0.00 66.41 65.50 3dww h THR 131 Cb 0.81 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 3dww h THR 131 CO 0.06 0.54 0.00 0.18 0.37 0.00 0.00 175.52 176.67 3dww n LEU 132 N -4.10 0.00 -0.13 2.58 4.77 -0.75 -0.99 117.00 118.37 3dww n LEU 132 Ca -0.05 0.33 -0.21 0.00 -0.03 0.00 0.00 56.01 56.05 3dww n LEU 132 Cb 0.59 -0.33 -0.11 0.00 -2.33 0.00 0.00 43.42 41.24 3dww n LEU 132 CO 0.49 -0.21 -1.36 0.00 -1.33 0.00 0.00 177.39 174.97 3dww n ALA 133 N -1.33 1.39 0.21 -1.18 0.00 0.18 -4.56 120.51 115.22 3dww n ALA 133 Ca 0.05 -1.09 0.08 0.00 0.00 0.00 0.00 53.44 52.47 3dww n ALA 133 Cb 0.09 -0.03 0.44 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.25 0.00 0.01 0.00 4.20 0.62 -3.03 115.11 116.65 3dww h GLN 134 Ca -0.60 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 57.97 3dww h GLN 134 Cb 1.82 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.61 3dww h GLN 134 CO -0.17 0.28 -0.53 -0.07 -0.67 0.00 0.00 178.83 177.67 3dww h LEU 135 N 0.00 0.45 -0.88 1.46 3.38 -1.31 -2.67 115.31 115.73 3dww h LEU 135 Ca -0.00 -0.78 0.21 0.00 0.09 0.00 0.00 57.88 57.41 3dww h LEU 135 Cb 0.74 -0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.23 3dww h LEU 135 CO 0.04 1.17 0.37 -0.65 0.09 0.00 0.00 178.44 179.46 3dww h PRO 136 N -0.22 0.37 -1.07 1.13 0.10 -1.80 0.99 132.00 131.50 3dww h PRO 136 Ca -0.07 -0.02 0.29 0.00 0.10 0.00 0.00 66.00 66.30 3dww h PRO 136 Cb 1.26 -0.08 -0.10 0.00 0.10 0.00 0.00 31.00 32.17 3dww h PRO 136 CO 0.10 0.25 0.68 0.00 0.10 0.00 0.00 178.00 179.13 3dww h ALA 138 N 1.63 0.37 0.00 0.00 0.00 -0.53 -2.37 119.26 118.36 3dww h ALA 138 Ca 0.63 -1.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.20 3dww h ALA 138 Cb 1.63 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.43 3dww h ALA 138 CO -0.33 1.25 -1.78 -1.13 0.00 0.00 0.00 179.25 177.26 3dww n SER 139 N -3.34 0.77 -0.18 0.00 3.41 -0.42 -3.44 113.62 110.42 3dww n SER 139 Ca -0.07 0.37 -0.10 0.00 -0.26 0.00 0.00 58.87 58.80 3dww n SER 139 Cb 0.99 0.07 0.01 0.00 -0.26 0.00 0.00 64.21 65.02 3dww n SER 139 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 3dww h MET 140 N 0.00 1.00 0.00 4.33 2.86 -0.60 -2.19 114.93 120.33 3dww h MET 140 Ca -0.31 -0.37 -0.08 0.00 -2.06 0.00 0.00 59.70 56.87 3dww h MET 140 Cb 2.03 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 33.61 3dww h MET 140 CO 0.07 1.06 -0.40 0.00 1.06 0.00 0.00 176.91 178.70 3dww h ALA 141 N 0.92 1.29 0.06 6.32 0.00 -1.55 -2.11 119.26 124.18 3dww h ALA 141 Ca 0.14 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 3dww h ALA 141 Cb 0.67 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.41 3dww h ALA 141 CO 0.05 0.50 -0.37 -0.07 0.00 0.00 0.00 179.25 179.36 3dww h LEU 142 N 0.00 0.18 -1.82 0.00 3.38 -1.59 -3.31 115.31 112.14 3dww h LEU 142 Ca -0.00 -0.97 0.22 0.00 0.09 0.00 0.00 57.88 57.22 3dww h LEU 142 Cb 0.73 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 3dww h LEU 142 CO 0.05 1.17 0.58 1.56 0.09 0.00 0.00 178.44 181.90 3dww h GLN 143 N -0.75 0.14 0.00 1.13 4.20 -1.25 0.14 115.11 118.72 3dww h GLN 143 Ca -0.07 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3dww h GLN 143 Cb 1.26 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.01 3dww h GLN 143 CO 0.05 0.10 0.00 -0.89 -0.67 0.00 0.00 178.83 177.42 3dww n ILE 144 N -4.38 0.00 -0.35 2.54 5.41 -0.81 -3.03 119.36 118.75 3dww n ILE 144 Ca 0.17 1.42 0.04 0.00 1.00 0.00 0.00 62.75 65.38 3dww n ILE 144 Cb 0.80 -2.26 0.19 0.00 -0.71 0.00 0.00 39.64 37.66 3dww n ILE 144 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3dww h LEU 145 N 0.00 0.91 0.54 1.39 3.38 -0.90 0.58 115.31 121.22 3dww h LEU 145 Ca 0.00 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3dww h LEU 145 Cb 0.00 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.60 3dww h LEU 145 CO 0.00 0.54 -0.26 -0.50 0.09 0.00 0.00 178.44 178.31 3dww h TRP 146 N 1.02 -0.67 -0.67 1.13 4.06 -1.19 0.57 115.95 120.20 3dww h TRP 146 Ca 0.44 -0.02 0.11 0.00 2.06 0.00 0.00 58.89 61.48 3dww h TRP 146 Cb 0.30 0.22 -0.08 0.00 -1.00 0.00 0.00 29.16 28.60 3dww h TRP 146 CO -0.02 -0.42 0.27 1.49 -3.56 0.00 0.00 178.44 176.21 3dww h GLU 147 N -0.93 0.44 0.00 0.49 4.81 -1.44 -1.10 114.58 116.85 3dww h GLU 147 Ca -0.07 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3dww h GLU 147 Cb 0.56 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3dww h GLU 147 CO 0.12 0.29 0.00 0.00 -0.73 0.00 0.00 179.01 178.69 3dww n ALA 148 N -2.48 1.61 0.12 2.92 0.00 0.20 0.17 120.51 123.06 3dww n ALA 148 Ca 0.11 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.62 3dww n ALA 148 Cb 0.32 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.42 2.66 1.42 0.00 0.00 0.18 -4.08 120.51 119.27 3dww n ALA 149 Ca 0.04 -0.31 0.14 0.00 0.00 0.00 0.00 53.44 53.30 3dww n ALA 149 Cb 0.12 -1.02 0.47 0.00 0.00 0.00 0.00 19.45 19.03 3dww n ALA 149 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3dww n ARG 150 N -2.51 1.61 -0.73 0.00 0.63 0.13 -3.63 116.66 112.15 3dww n ARG 150 Ca -0.01 -0.98 0.08 0.00 -0.92 0.00 0.00 57.85 56.02 3dww n ARG 150 Cb 0.54 -1.48 0.37 0.00 0.45 0.00 0.00 32.46 32.34 3dww n ARG 150 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3dww n HIS 151 N 0.16 1.71 -1.03 -0.14 -0.00 -1.01 -5.09 115.22 109.82 3dww n HIS 151 Ca 0.18 -0.70 0.00 0.00 -0.00 0.00 0.00 57.72 57.20 3dww n HIS 151 Cb 0.37 -0.38 0.00 0.00 -0.00 0.00 0.00 29.99 29.98 3dww n HIS 151 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62