#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pzw s ILE 3 N 0.00 0.05 0.04 5.18 1.10 -1.26 -2.32 121.20 123.99 1pzw s ILE 3 Ca 0.00 -0.43 -0.30 0.00 -0.51 0.00 0.00 60.65 59.40 1pzw s ILE 3 Cb 0.00 -0.36 -0.07 0.00 0.15 0.00 0.00 42.46 42.19 1pzw s ILE 3 CO 0.00 -0.24 1.48 0.00 -2.11 0.00 0.00 174.94 174.07 1pzw h ARG 5 N 7.83 0.18 0.00 0.00 9.65 -1.34 0.81 114.38 131.51 1pzw h ARG 5 Ca -0.40 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.47 1pzw h ARG 5 Cb 1.19 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 1pzw h ARG 5 CO 0.91 0.12 -0.14 -0.07 2.80 0.00 0.00 179.97 183.59 1pzw h LEU 6 N 0.19 0.00 0.00 3.80 4.07 -1.91 -3.41 115.31 118.05 1pzw h LEU 6 Ca 0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.23 1pzw h LEU 6 Cb 0.81 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.55 1pzw h LEU 6 CO -0.05 0.36 -0.48 0.00 -1.08 0.00 0.00 178.44 177.19 1pzw n LEU 8 N -2.01 -1.60 -4.93 0.00 4.77 0.28 -4.98 117.00 108.53 1pzw n LEU 8 Ca 0.04 0.38 -0.25 0.00 -0.03 0.00 0.00 56.01 56.15 1pzw n LEU 8 Cb 0.42 -2.85 0.01 0.00 -2.33 0.00 0.00 43.42 38.67 1pzw n LEU 8 CO 0.35 -0.87 0.39 -0.13 -1.33 0.00 0.00 177.39 175.80 1pzw s ARG 9 N -4.05 3.18 0.15 3.23 0.52 -1.26 -4.70 118.95 116.01 1pzw s ARG 9 Ca 0.00 -0.15 -0.31 0.00 -0.52 0.00 0.00 55.73 54.74 1pzw s ARG 9 Cb 0.00 -2.43 -0.10 0.00 0.52 0.00 0.00 34.95 32.93 1pzw s ARG 9 CO 0.00 -0.35 1.74 0.20 0.02 0.00 0.00 175.30 176.91 1pzw s GLY 10 N -4.20 1.36 -0.22 -3.53 0.00 -1.26 -2.32 107.32 97.16 1pzw s GLY 10 Ca 0.49 1.45 -0.26 0.00 0.00 0.00 0.00 44.72 46.40 1pzw s GLY 10 CO 0.42 2.96 0.88 0.14 0.00 0.00 0.00 173.10 177.50 1pzw s VAL 11 N 2.06 4.81 0.08 1.40 1.01 -0.98 -4.88 120.40 123.91 1pzw s VAL 11 Ca 0.77 1.70 -0.28 0.00 0.00 0.00 0.00 61.98 64.17 1pzw s VAL 11 Cb -0.46 -4.17 -0.16 0.00 0.00 0.00 0.00 36.38 31.59 1pzw s VAL 11 CO 0.34 -0.07 1.68 0.28 0.00 0.00 0.00 175.10 177.33 1pzw h SER 12 N 7.52 -0.40 0.00 3.32 0.02 -1.93 -3.42 113.55 118.65 1pzw h SER 12 Ca -0.24 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1pzw h SER 12 Cb 1.10 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1pzw h SER 12 CO 0.89 -0.27 0.00 0.61 -1.14 0.00 0.00 176.83 176.91 1pzw n GLY 13 N -1.29 -0.88 0.00 -3.77 0.00 -1.26 -5.07 105.19 92.92 1pzw n GLY 13 Ca -0.10 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1pzw n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pzw n ALA 14 N -3.20 0.00 0.24 4.61 0.00 -1.26 -4.99 120.51 115.91 1pzw n ALA 14 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1pzw n ALA 14 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 1pzw n ALA 14 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1pzw n GLN 15 N 0.00 2.69 -0.05 0.00 7.27 -1.26 -2.11 117.38 123.92 1pzw n GLN 15 Ca 0.00 -1.57 0.09 0.00 0.07 0.00 0.00 57.00 55.59 1pzw n GLN 15 Cb 0.00 -1.72 0.11 0.00 2.41 0.00 0.00 30.24 31.04 1pzw n GLN 15 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 1pzw n MET 16 N 0.43 1.71 -4.46 3.69 2.81 -1.26 -5.05 117.12 114.99 1pzw n MET 16 Ca 0.14 -1.71 -0.23 0.00 -1.81 0.00 0.00 57.70 54.09 1pzw n MET 16 Cb 0.62 -1.36 -0.13 0.00 -0.71 0.00 0.00 33.22 31.63 1pzw n MET 16 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1pzw s LEU 18 N -1.33 4.39 -0.13 0.00 1.02 -0.44 -4.94 118.68 117.25 1pzw s LEU 18 Ca 0.05 0.62 -0.29 0.00 0.02 0.00 0.00 54.13 54.53 1pzw s LEU 18 Cb -0.09 -2.52 -0.01 0.00 0.02 0.00 0.00 46.19 43.59 1pzw s LEU 18 CO 0.02 0.30 1.05 -1.10 0.02 0.00 0.00 176.35 176.64 1pzw s GLN 19 N -1.46 4.36 0.08 1.70 -1.52 -1.26 -1.63 119.66 119.93 1pzw s GLN 19 Ca 0.24 1.43 -0.19 0.00 -1.95 0.00 0.00 55.36 54.89 1pzw s GLN 19 Cb -0.14 -3.58 -0.09 0.00 -0.22 0.00 0.00 33.01 28.99 1pzw s GLN 19 CO 0.13 -0.43 1.53 0.82 -0.25 0.00 0.00 175.29 177.08 1pzw h ILE 20 N 5.20 1.25 -3.41 1.08 2.04 -1.22 -3.44 117.51 119.00 1pzw h ILE 20 Ca -0.28 -0.86 -0.61 0.00 1.00 0.00 0.00 64.86 64.12 1pzw h ILE 20 Cb 1.12 1.35 -0.19 0.00 -0.74 0.00 0.00 36.82 38.36 1pzw h ILE 20 CO 0.90 0.27 -0.82 -0.36 0.00 0.00 0.00 178.15 178.14 1pzw s PHE 21 N -5.04 2.09 -0.26 1.37 0.40 -1.23 -4.49 117.98 110.81 1pzw s PHE 21 Ca -0.14 -0.40 -0.03 0.00 -0.60 0.00 0.00 56.93 55.76 1pzw s PHE 21 Cb 0.07 -1.06 0.10 0.00 0.51 0.00 0.00 43.02 42.64 1pzw s PHE 21 CO 0.74 0.39 0.17 0.34 0.70 0.00 0.00 175.22 177.56 1pzw s ASP 22 N -2.49 2.69 0.01 1.36 2.15 -1.26 -4.98 116.67 114.15 1pzw s ASP 22 Ca 0.16 -0.94 0.00 0.00 0.43 0.00 0.00 52.55 52.20 1pzw s ASP 22 Cb -0.08 -0.06 0.00 0.00 -0.30 0.00 0.00 42.92 42.48 1pzw s ASP 22 CO 0.08 -0.40 0.00 0.52 -0.17 0.00 0.00 175.17 175.19 1pzw n VAL 23 N 5.28 -0.56 -3.47 1.11 0.31 -1.26 -4.17 118.33 115.57 1pzw n VAL 23 Ca -0.05 0.14 -0.16 0.00 -0.01 0.00 0.00 64.34 64.25 1pzw n VAL 23 Cb 0.45 -0.82 0.01 0.00 -0.91 0.00 0.00 33.84 32.57 1pzw n VAL 23 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1pzw n ASP 24 N 1.57 -6.16 0.00 4.52 10.43 -1.26 -5.00 116.55 120.65 1pzw n ASP 24 Ca 0.00 -0.63 0.00 0.00 2.57 0.00 0.00 54.79 56.73 1pzw n ASP 24 Cb 0.00 -3.57 0.00 0.00 1.84 0.00 0.00 41.12 39.39 1pzw n ASP 24 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1pzw n SER 25 N -2.32 0.00 -0.92 -2.24 7.64 -1.26 -5.05 113.62 109.47 1pzw n SER 25 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1pzw n SER 25 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1pzw n SER 25 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pzw n GLY 26 N 5.00 -4.13 1.81 0.23 0.00 -1.26 -5.02 105.19 101.81 1pzw n GLY 26 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1pzw n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pzw n GLU 27 N -0.17 -4.19 0.00 1.61 1.02 -1.26 -5.05 120.64 112.60 1pzw n GLU 27 Ca 0.00 3.11 0.00 0.00 -0.02 0.00 0.00 57.16 60.25 1pzw n GLU 27 Cb 0.00 -3.42 0.00 0.00 -0.02 0.00 0.00 31.44 28.00 1pzw n GLU 27 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1pzw n SER 28 N 1.44 1.61 0.00 1.62 2.88 -1.26 -4.97 113.62 114.94 1pzw n SER 28 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1pzw n SER 28 Cb 0.00 0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 1pzw n SER 28 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1pzw n LYS 29 N -0.96 0.00 -0.04 -1.46 5.02 -1.26 -4.49 118.16 114.98 1pzw n LYS 29 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1pzw n LYS 29 Cb 0.15 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.12 1pzw n LYS 29 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1pzw h VAL 30 N 0.00 1.09 -0.91 -0.18 2.07 -1.94 -1.74 116.25 114.64 1pzw h VAL 30 Ca 0.00 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.30 1pzw h VAL 30 Cb 0.00 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1pzw h VAL 30 CO 0.00 0.08 0.60 0.00 0.02 0.00 0.00 177.57 178.27 1pzw h ALA 31 N 1.00 1.15 -0.80 1.67 0.00 -1.79 -1.64 119.26 118.84 1pzw h ALA 31 Ca 0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1pzw h ALA 31 Cb 0.05 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 1pzw h ALA 31 CO -0.01 0.55 0.45 1.49 0.00 0.00 0.00 179.25 181.73 1pzw h GLU 32 N 1.23 1.12 -0.15 0.00 4.81 -1.86 -0.18 114.58 119.56 1pzw h GLU 32 Ca 0.33 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1pzw h GLU 32 Cb -0.14 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.02 1pzw h GLU 32 CO -0.07 0.82 -0.30 0.28 -0.73 0.00 0.00 179.01 179.00 1pzw h VAL 33 N 1.11 1.36 -0.71 0.32 2.07 -0.92 -2.77 116.25 116.73 1pzw h VAL 33 Ca 0.28 -1.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.23 1pzw h VAL 33 Cb 0.02 2.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1pzw h VAL 33 CO -0.05 0.47 0.44 -0.07 0.02 0.00 0.00 177.57 178.38 1pzw h LEU 34 N 0.08 0.83 -1.23 2.57 3.38 -1.13 -2.39 115.31 117.42 1pzw h LEU 34 Ca 0.00 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1pzw h LEU 34 Cb 0.90 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1pzw h LEU 34 CO 0.07 0.63 -0.25 0.03 0.09 0.00 0.00 178.44 179.00 1pzw h ARG 35 N 0.97 0.21 0.00 1.13 3.08 -0.94 -1.91 114.38 116.92 1pzw h ARG 35 Ca 0.26 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.17 1pzw h ARG 35 Cb -0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1pzw h ARG 35 CO -0.05 0.46 -0.31 1.96 -1.07 0.00 0.00 179.97 180.96 1pzw h GLN 36 N 0.19 0.00 -0.00 0.04 4.20 -1.14 -3.34 115.11 115.06 1pzw h GLN 36 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1pzw h GLN 36 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1pzw h GLN 36 CO 0.04 0.31 -0.12 0.72 -0.67 0.00 0.00 178.83 179.11 1pzw n HIS 37 N -4.00 0.00 -4.45 2.96 8.25 -1.06 -5.05 115.22 111.86 1pzw n HIS 37 Ca -0.02 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.22 1pzw n HIS 37 Cb 0.37 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.38 1pzw n HIS 37 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1pzw s PHE 38 N -1.00 2.04 -0.13 4.41 0.40 -0.74 -5.07 117.98 117.89 1pzw s PHE 38 Ca 0.03 -0.66 0.22 0.00 -0.60 0.00 0.00 56.93 55.92 1pzw s PHE 38 Cb 0.03 -1.16 -0.18 0.00 0.51 0.00 0.00 43.02 42.22 1pzw s PHE 38 CO 0.12 0.34 0.72 -2.67 0.70 0.00 0.00 175.22 174.43 1pzw n TRP 39 N -0.62 0.49 -2.52 0.36 2.14 -1.26 -4.80 117.44 111.22 1pzw n TRP 39 Ca -0.05 0.15 -0.23 0.00 2.07 0.00 0.00 57.50 59.44 1pzw n TRP 39 Cb 0.63 -0.77 0.06 0.00 -0.81 0.00 0.00 31.31 30.42 1pzw n TRP 39 CO 0.00 0.00 0.00 -0.59 2.07 0.00 0.00 177.69 179.17 1pzw s PHE 40 N -3.35 2.66 0.06 -2.67 -0.12 -1.26 -5.10 117.98 108.20 1pzw s PHE 40 Ca -0.05 0.06 -0.00 0.00 -0.05 0.00 0.00 56.93 56.89 1pzw s PHE 40 Cb 0.11 -2.91 -0.04 0.00 -0.63 0.00 0.00 43.02 39.55 1pzw s PHE 40 CO 0.85 -1.15 0.21 -2.00 -0.05 0.00 0.00 175.22 173.08 1pzw s GLU 41 N -4.95 3.45 -0.26 1.99 2.56 -1.26 -4.86 118.70 115.37 1pzw s GLU 41 Ca 0.60 -0.42 0.00 0.00 0.00 0.00 0.00 54.97 55.15 1pzw s GLU 41 Cb -0.10 -3.04 0.04 0.00 2.00 0.00 0.00 34.13 33.04 1pzw s GLU 41 CO 0.41 0.61 -0.08 0.08 -0.56 0.00 0.00 175.26 175.72 1pzw s VAL 42 N -1.50 2.54 0.07 3.70 1.01 -1.26 -5.11 120.40 119.84 1pzw s VAL 42 Ca 0.35 -1.35 0.04 0.00 0.00 0.00 0.00 61.98 61.02 1pzw s VAL 42 Cb -0.13 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1pzw s VAL 42 CO 0.27 0.07 -0.12 -1.48 0.00 0.00 0.00 175.10 173.84 1pzw s LEU 43 N 1.21 2.31 0.28 3.92 0.05 -1.26 -5.02 118.68 120.17 1pzw s LEU 43 Ca -0.04 -0.65 -0.03 0.00 0.05 0.00 0.00 54.13 53.45 1pzw s LEU 43 Cb -0.18 -0.39 0.59 0.00 -2.05 0.00 0.00 46.19 44.16 1pzw s LEU 43 CO -0.05 -0.15 1.59 -0.65 -0.55 0.00 0.00 176.35 176.55 1pzw h PRO 44 N 4.14 0.05 0.00 1.48 0.11 -1.99 -3.31 132.00 132.47 1pzw h PRO 44 Ca -0.39 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1pzw h PRO 44 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1pzw h PRO 44 CO 0.44 0.03 0.00 0.27 -0.21 0.00 0.00 178.00 178.53 1pzw n ASN 45 N -5.45 0.00 -2.35 -2.05 0.23 -1.26 -4.95 115.26 99.43 1pzw n ASN 45 Ca 0.18 0.00 -0.00 0.00 -0.53 0.00 0.00 54.58 54.23 1pzw n ASN 45 Cb 0.61 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.31 1pzw n ASN 45 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1pzw n ASP 46 N 0.00 -9.06 0.28 0.53 8.00 -1.25 -4.79 116.55 110.26 1pzw n ASP 46 Ca 0.00 1.84 0.18 0.00 0.71 0.00 0.00 54.79 57.53 1pzw n ASP 46 Cb 0.00 -5.07 0.94 0.00 -0.02 0.00 0.00 41.12 36.97 1pzw n ASP 46 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1pzw h GLU 47 N 4.31 0.00 0.01 -1.24 4.22 -1.96 -3.33 114.58 116.58 1pzw h GLU 47 Ca -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.43 1pzw h GLU 47 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1pzw h GLU 47 CO 0.00 0.00 -0.00 0.82 -2.18 0.00 0.00 179.01 177.65 1pzw h ILE 48 N 0.00 0.00 0.00 2.32 1.08 -2.00 -3.51 117.51 115.40 1pzw h ILE 48 Ca 0.04 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 1pzw h ILE 48 Cb 0.39 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.14 1pzw h ILE 48 CO -0.00 0.00 0.00 -0.24 -0.69 0.00 0.00 178.15 177.22 1pzw n SER 49 N -2.15 0.00 -1.05 1.72 2.88 -1.25 -4.76 113.62 108.99 1pzw n SER 49 Ca -0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 1pzw n SER 49 Cb 0.00 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.55 1pzw n SER 49 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1pzw n LYS 50 N -0.22 0.60 -4.22 -1.46 2.85 -1.26 -4.77 118.16 109.69 1pzw n LYS 50 Ca 0.00 -2.40 -0.20 0.00 -1.05 0.00 0.00 58.31 54.66 1pzw n LYS 50 Cb 0.00 -0.66 -0.12 0.00 -0.65 0.00 0.00 35.03 33.60 1pzw n LYS 50 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1pzw s VAL 51 N -1.24 1.23 -0.05 0.58 0.11 -1.26 -0.65 120.40 119.11 1pzw s VAL 51 Ca 0.33 -1.32 0.01 0.00 -2.93 0.00 0.00 61.98 58.07 1pzw s VAL 51 Cb 0.35 -1.16 0.02 0.00 -1.53 0.00 0.00 36.38 34.06 1pzw s VAL 51 CO -0.11 -0.17 -0.07 -0.51 -3.33 0.00 0.00 175.10 170.91 1pzw s ILE 52 N -1.20 0.75 0.67 7.04 2.07 -0.65 -0.95 121.20 128.92 1pzw s ILE 52 Ca 0.00 -0.25 -0.16 0.00 -1.41 0.00 0.00 60.65 58.84 1pzw s ILE 52 Cb -0.10 -0.73 0.01 0.00 0.13 0.00 0.00 42.46 41.77 1pzw s ILE 52 CO 0.03 0.27 1.15 0.00 -1.91 0.00 0.00 174.94 174.47 1pzw h ASN 54 N 0.07 0.00 -0.59 0.00 -0.73 -0.08 -1.04 115.58 113.21 1pzw h ASN 54 Ca -0.48 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 57.66 1pzw h ASN 54 Cb 1.27 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.83 1pzw h ASN 54 CO 0.53 0.11 0.22 0.58 -0.37 0.00 0.00 177.43 178.50 1pzw h VAL 55 N 0.00 1.23 -0.05 2.57 2.07 -1.91 0.17 116.25 120.34 1pzw h VAL 55 Ca -0.00 -0.75 -0.22 0.00 0.82 0.00 0.00 66.70 66.55 1pzw h VAL 55 Cb 0.21 0.62 0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1pzw h VAL 55 CO 0.01 0.29 -0.81 0.00 0.02 0.00 0.00 177.57 177.08 1pzw h TRP 57 N 0.27 0.74 -0.81 0.00 2.91 -1.00 -0.89 115.95 117.17 1pzw h TRP 57 Ca -0.09 -0.12 -0.04 0.00 1.13 0.00 0.00 58.89 59.78 1pzw h TRP 57 Cb 1.47 -0.20 -0.04 0.00 -0.51 0.00 0.00 29.16 29.89 1pzw h TRP 57 CO 0.11 0.75 0.36 0.00 -1.03 0.00 0.00 178.44 178.63 1pzw h THR 58 N 0.64 1.26 -0.38 2.65 1.03 -0.73 0.79 112.91 118.18 1pzw h THR 58 Ca 0.12 -0.77 -0.13 0.00 -0.01 0.00 0.00 66.41 65.62 1pzw h THR 58 Cb 0.51 0.26 -0.01 0.00 -1.07 0.00 0.00 68.15 67.84 1pzw h THR 58 CO 0.03 0.32 -0.26 1.56 -0.01 0.00 0.00 175.52 177.16 1pzw h GLN 59 N 1.17 0.84 -0.14 0.00 4.20 -1.40 -0.93 115.11 118.85 1pzw h GLN 59 Ca 0.27 -0.40 -0.09 0.00 0.06 0.00 0.00 58.65 58.50 1pzw h GLN 59 Cb 0.17 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1pzw h GLN 59 CO -0.03 1.04 -0.25 0.28 -0.67 0.00 0.00 178.83 179.20 1pzw h VAL 60 N 0.64 1.37 -0.42 -0.54 2.07 -0.93 -2.20 116.25 116.24 1pzw h VAL 60 Ca 0.07 -1.50 -0.15 0.00 0.82 0.00 0.00 66.70 65.95 1pzw h VAL 60 Cb 0.83 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 1pzw h VAL 60 CO 0.07 0.44 -0.32 0.77 0.02 0.00 0.00 177.57 178.55 1pzw h SER 61 N 0.01 1.00 -0.47 0.57 4.64 -0.86 0.69 113.55 119.12 1pzw h SER 61 Ca 0.01 -0.43 0.02 0.00 -0.47 0.00 0.00 61.79 60.92 1pzw h SER 61 Cb 0.83 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.61 1pzw h SER 61 CO 0.06 1.23 0.28 -0.33 -0.87 0.00 0.00 176.83 177.20 1pzw h GLU 62 N 0.79 0.55 -0.68 4.77 5.08 -1.23 -1.30 114.58 122.56 1pzw h GLU 62 Ca 0.08 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 1pzw h GLU 62 Cb 0.91 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 1pzw h GLU 62 CO 0.08 0.37 0.14 0.35 -1.00 0.00 0.00 179.01 178.95 1pzw h PHE 63 N 0.57 1.17 -0.67 4.33 3.57 -1.13 -2.49 116.94 122.29 1pzw h PHE 63 Ca 0.19 -0.15 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 1pzw h PHE 63 Cb 0.01 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 38.40 1pzw h PHE 63 CO -0.07 0.97 0.24 1.25 -2.23 0.00 0.00 178.31 178.47 1pzw h HIS 64 N 1.03 1.05 -0.73 0.41 2.76 -0.69 0.25 115.15 119.23 1pzw h HIS 64 Ca 0.21 -0.09 0.03 0.00 -2.20 0.00 0.00 60.37 58.32 1pzw h HIS 64 Cb 0.41 -0.31 -0.05 0.00 1.55 0.00 0.00 27.41 29.01 1pzw h HIS 64 CO 0.03 0.83 0.45 0.37 -1.30 0.00 0.00 177.93 178.32 1pzw h GLN 65 N 0.97 0.85 -0.00 5.26 4.15 -1.15 0.28 115.11 125.47 1pzw h GLN 65 Ca 0.22 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.59 1pzw h GLN 65 Cb 0.25 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.75 1pzw h GLN 65 CO -0.01 0.56 0.00 0.35 -1.93 0.00 0.00 178.83 177.80 1pzw h PHE 66 N 0.88 0.00 -0.98 3.99 3.57 -0.93 -2.60 116.94 120.86 1pzw h PHE 66 Ca 0.30 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.94 1pzw h PHE 66 Cb 0.04 -0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.69 1pzw h PHE 66 CO -0.04 0.13 0.60 -0.92 -2.23 0.00 0.00 178.31 175.84 1pzw h TYR 67 N -0.13 1.07 -0.37 0.41 3.20 0.00 -1.01 116.97 120.15 1pzw h TYR 67 Ca 0.00 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.77 1pzw h TYR 67 Cb 0.13 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 1pzw h TYR 67 CO -0.03 0.36 -0.29 0.28 -1.64 0.00 0.00 178.16 176.83 1pzw h VAL 68 N 0.88 1.28 -0.51 1.81 2.07 -0.89 -0.75 116.25 120.14 1pzw h VAL 68 Ca 0.51 -1.44 -0.09 0.00 0.82 0.00 0.00 66.70 66.51 1pzw h VAL 68 Cb 0.62 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1pzw h VAL 68 CO -0.31 0.48 -0.03 0.77 0.02 0.00 0.00 177.57 178.50 1pzw h SER 69 N 0.67 0.86 -0.37 0.57 4.64 -0.83 -2.07 113.55 117.03 1pzw h SER 69 Ca 0.08 -0.23 -0.08 0.00 -0.47 0.00 0.00 61.79 61.08 1pzw h SER 69 Cb 0.83 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1pzw h SER 69 CO 0.07 0.94 -0.08 0.40 -0.87 0.00 0.00 176.83 177.29 1pzw h ILE 70 N 0.81 1.28 -0.55 0.95 1.08 -0.92 -2.33 117.51 117.82 1pzw h ILE 70 Ca 0.15 -1.15 0.03 0.00 -0.39 0.00 0.00 64.86 63.50 1pzw h ILE 70 Cb 0.52 1.27 -0.04 0.00 -3.07 0.00 0.00 36.82 35.50 1pzw h ILE 70 CO 0.03 0.38 0.32 -0.61 -0.69 0.00 0.00 178.15 177.58 1pzw h GLN 71 N 0.50 0.61 -0.59 2.37 4.15 -0.96 -1.05 115.11 120.14 1pzw h GLN 71 Ca 0.09 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.49 1pzw h GLN 71 Cb 0.59 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.11 1pzw h GLN 71 CO 0.04 0.40 0.39 1.49 -1.93 0.00 0.00 178.83 179.22 1pzw h GLU 72 N 0.63 0.76 -0.77 1.69 4.81 -1.25 0.73 114.58 121.18 1pzw h GLU 72 Ca 0.23 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.36 1pzw h GLU 72 Cb 0.06 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 1pzw h GLU 72 CO -0.12 0.50 0.26 0.00 -0.73 0.00 0.00 179.01 178.93 1pzw h ALA 73 N 1.23 1.00 -0.33 2.92 0.00 -0.97 -1.65 119.26 121.46 1pzw h ALA 73 Ca 0.22 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1pzw h ALA 73 Cb -0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1pzw h ALA 73 CO -0.06 0.67 -0.35 1.96 0.00 0.00 0.00 179.25 181.47 1pzw h GLN 74 N 1.14 0.76 -0.12 0.00 1.08 -0.80 -1.92 115.11 115.25 1pzw h GLN 74 Ca 0.25 -0.37 -0.01 0.00 -1.45 0.00 0.00 58.65 57.07 1pzw h GLN 74 Cb 0.28 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1pzw h GLN 74 CO -0.01 0.99 0.04 0.28 -0.95 0.00 0.00 178.83 179.18 1pzw h VAL 75 N 0.63 1.18 -0.60 -0.54 2.07 -0.62 -1.44 116.25 116.94 1pzw h VAL 75 Ca 0.06 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1pzw h VAL 75 Cb 0.89 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 1pzw h VAL 75 CO 0.08 0.16 0.38 0.40 0.02 0.00 0.00 177.57 178.62 1pzw h ILE 76 N 0.00 1.16 -0.31 4.57 2.04 -1.25 -1.65 117.51 122.08 1pzw h ILE 76 Ca 0.04 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 1pzw h ILE 76 Cb 0.22 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1pzw h ILE 76 CO -0.00 0.16 0.11 0.22 0.00 0.00 0.00 178.15 178.64 1pzw h TYR 77 N 0.81 0.49 0.00 1.37 3.20 -1.27 -2.29 116.97 119.28 1pzw h TYR 77 Ca 0.22 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 1pzw h TYR 77 Cb -0.07 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.06 1pzw h TYR 77 CO -0.03 0.49 -0.00 0.00 -1.64 0.00 0.00 178.16 176.98 1pzw h ALA 78 N 0.94 1.00 -0.26 1.82 0.00 -1.05 -3.25 119.26 118.47 1pzw h ALA 78 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1pzw h ALA 78 Cb 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1pzw h ALA 78 CO -0.00 0.01 0.00 0.25 0.00 0.00 0.00 179.25 179.50 1pzw n THR 79 N -3.10 0.45 -4.48 0.00 -2.24 -0.64 -4.97 114.28 99.31 1pzw n THR 79 Ca 0.00 -0.73 -0.32 0.00 -2.27 0.00 0.00 64.05 60.74 1pzw n THR 79 Cb 0.28 0.98 -0.11 0.00 -2.10 0.00 0.00 70.33 69.38 1pzw n THR 79 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1pzw s THR 80 N -1.25 3.57 -1.85 4.28 2.01 -0.89 -5.07 115.64 116.44 1pzw s THR 80 Ca 0.28 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.47 1pzw s THR 80 Cb 0.17 -2.55 0.00 0.00 0.01 0.00 0.00 72.50 70.13 1pzw s THR 80 CO 0.23 0.39 0.46 -1.20 -0.69 0.00 0.00 174.62 173.81