#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w09 h LEU 4 N 0.00 0.15 -1.68 1.47 -0.00 -2.01 -3.31 115.31 109.92 1w09 h LEU 4 Ca 0.00 -0.20 0.17 0.00 -0.00 0.00 0.00 57.88 57.85 1w09 h LEU 4 Cb 0.00 -0.05 -0.05 0.00 -0.00 0.00 0.00 40.66 40.56 1w09 h LEU 4 CO 0.00 1.17 0.51 0.11 -0.00 0.00 0.00 178.44 180.23 1w09 h LYS 5 N 0.03 0.29 -0.44 0.17 6.56 -2.05 -0.37 116.57 120.75 1w09 h LYS 5 Ca -0.15 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.42 1w09 h LYS 5 Cb 1.91 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 33.49 1w09 h LYS 5 CO 0.13 0.19 0.28 0.00 -2.06 0.00 0.00 179.45 178.00 1w09 h ALA 6 N 1.65 0.56 -0.30 3.86 0.00 -1.99 0.36 119.26 123.40 1w09 h ALA 6 Ca 0.37 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1w09 h ALA 6 Cb 1.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1w09 h ALA 6 CO -0.10 0.03 0.07 -0.91 0.00 0.00 0.00 179.25 178.34 1w09 h ASN 7 N 0.60 0.46 -0.19 0.00 2.35 -1.27 -1.75 115.58 115.77 1w09 h ASN 7 Ca 0.16 -0.24 -0.06 0.00 -0.55 0.00 0.00 56.30 55.62 1w09 h ASN 7 Cb -0.04 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1w09 h ASN 7 CO -0.03 0.58 -0.04 0.11 -1.65 0.00 0.00 177.43 176.39 1w09 h LYS 8 N 0.32 0.51 -0.32 0.81 1.57 -1.12 -1.80 116.57 116.54 1w09 h LYS 8 Ca 0.09 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1w09 h LYS 8 Cb 0.30 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1w09 h LYS 8 CO 0.00 0.57 0.02 -0.44 -0.57 0.00 0.00 179.45 179.02 1w09 h ASP 9 N 0.48 0.54 -0.37 0.86 5.19 -0.02 0.19 116.42 123.28 1w09 h ASP 9 Ca 0.10 -0.29 -0.00 0.00 -0.62 0.00 0.00 57.03 56.21 1w09 h ASP 9 Cb 0.38 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.73 1w09 h ASP 9 CO 0.02 0.70 0.23 0.25 -3.12 0.00 0.00 179.24 177.31 1w09 h LEU 10 N 0.36 0.45 0.38 1.55 5.85 -1.05 0.15 115.31 122.99 1w09 h LEU 10 Ca 0.09 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1w09 h LEU 10 Cb 0.41 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1w09 h LEU 10 CO 0.01 0.37 -0.18 0.40 -0.34 0.00 0.00 178.44 178.70 1w09 h ILE 11 N 0.49 0.63 -0.67 4.05 2.04 -1.19 -1.62 117.51 121.24 1w09 h ILE 11 Ca 0.13 -0.04 0.13 0.00 1.00 0.00 0.00 64.86 66.08 1w09 h ILE 11 Cb -0.00 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 1w09 h ILE 11 CO -0.03 0.01 0.45 0.28 0.00 0.00 0.00 178.15 178.87 1w09 h SER 12 N -0.53 0.35 -0.60 1.72 0.02 -0.41 0.31 113.55 114.41 1w09 h SER 12 Ca -0.05 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.84 1w09 h SER 12 Cb 0.41 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1w09 h SER 12 CO 0.09 0.19 0.11 0.00 -1.14 0.00 0.00 176.83 176.08 1w09 h ALA 13 N 1.67 0.79 -0.34 3.77 0.00 -0.05 0.33 119.26 125.44 1w09 h ALA 13 Ca 0.32 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1w09 h ALA 13 Cb 0.74 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1w09 h ALA 13 CO -0.09 0.53 -0.43 0.78 0.00 0.00 0.00 179.25 180.04 1w09 h GLY 14 N 0.88 0.97 0.48 0.00 0.00 -0.13 -0.74 103.07 104.54 1w09 h GLY 14 Ca 0.18 -1.05 -0.01 0.00 0.00 0.00 0.00 47.33 46.45 1w09 h GLY 14 CO 0.01 0.94 -0.52 1.41 0.00 0.00 0.00 176.54 178.39 1w09 h LEU 15 N 0.68 -1.43 -1.47 3.11 4.07 -0.05 0.46 115.31 120.69 1w09 h LEU 15 Ca 0.04 0.12 -0.01 0.00 0.08 0.00 0.00 57.88 58.11 1w09 h LEU 15 Cb 1.03 0.48 -0.02 0.00 1.08 0.00 0.00 40.66 43.23 1w09 h LEU 15 CO 0.10 -0.67 0.25 0.50 -1.08 0.00 0.00 178.44 177.54 1w09 h LYS 16 N -1.00 0.60 -0.21 1.13 3.64 -0.39 0.18 116.57 120.53 1w09 h LYS 16 Ca -0.06 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1w09 h LYS 16 Cb 0.88 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1w09 h LYS 16 CO -0.08 0.44 0.12 0.93 -2.27 0.00 0.00 179.45 178.58 1w09 h GLU 17 N 0.61 0.29 0.02 1.90 4.39 -0.39 0.14 114.58 121.54 1w09 h GLU 17 Ca 0.16 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 1w09 h GLU 17 Cb 0.01 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1w09 h GLU 17 CO -0.03 0.26 -0.01 0.35 -1.16 0.00 0.00 179.01 178.43 1w09 h PHE 18 N 0.23 -0.02 -0.10 4.33 3.57 0.54 -0.29 116.94 125.21 1w09 h PHE 18 Ca 0.07 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.61 1w09 h PHE 18 Cb 0.06 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 1w09 h PHE 18 CO -0.04 0.46 -0.13 0.77 -2.23 0.00 0.00 178.31 177.14 1w09 h SER 19 N -0.51 -0.40 -0.18 0.41 0.02 -0.64 0.16 113.55 112.41 1w09 h SER 19 Ca -0.00 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 1w09 h SER 19 Cb 0.49 0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 1w09 h SER 19 CO 0.00 -0.17 -0.01 0.58 -1.14 0.00 0.00 176.83 176.09 1w09 h VAL 20 N -0.17 1.18 -0.25 2.27 2.07 -0.77 -1.84 116.25 118.75 1w09 h VAL 20 Ca 0.08 -0.72 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 1w09 h VAL 20 Cb 0.28 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1w09 h VAL 20 CO -0.20 0.24 -0.00 0.25 0.02 0.00 0.00 177.57 177.88 1w09 h LEU 21 N 0.43 0.43 -1.09 2.57 5.85 0.04 0.86 115.31 124.40 1w09 h LEU 21 Ca 0.09 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 1w09 h LEU 21 Cb 0.30 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1w09 h LEU 21 CO 0.01 0.64 0.34 -0.07 -0.34 0.00 0.00 178.44 179.01 1w09 h LEU 22 N 0.22 0.88 0.00 2.25 3.38 -0.43 0.31 115.31 121.91 1w09 h LEU 22 Ca 0.07 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1w09 h LEU 22 Cb 0.42 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1w09 h LEU 22 CO 0.01 0.74 -0.24 0.78 0.09 0.00 0.00 178.44 179.82 1w09 h ASN 23 N 0.97 0.00 -0.33 -0.43 2.35 -1.14 -3.26 115.58 113.73 1w09 h ASN 23 Ca 0.24 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.95 1w09 h ASN 23 Cb 0.09 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1w09 h ASN 23 CO -0.03 0.00 0.01 0.00 -1.65 0.00 0.00 177.43 175.77 1w09 n GLN 24 N -2.89 3.03 0.00 0.81 -0.00 0.30 -4.71 117.38 113.92 1w09 n GLN 24 Ca 0.03 -2.93 0.00 0.00 -0.00 0.00 0.00 57.00 54.11 1w09 n GLN 24 Cb 0.52 -1.91 0.00 0.00 -0.00 0.00 0.00 30.24 28.85 1w09 n GLN 24 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1w09 n GLN 25 N -0.46 0.72 0.00 2.61 0.00 1.00 -4.91 117.38 116.33 1w09 n GLN 25 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.25 1w09 n GLN 25 Cb 0.97 -1.15 0.00 0.00 0.00 0.00 0.00 30.24 30.06 1w09 n GLN 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1w09 n VAL 26 N 0.61 0.00 -3.79 1.69 0.31 -1.26 -4.86 118.33 111.03 1w09 n VAL 26 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.98 1w09 n VAL 26 Cb 0.35 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.16 1w09 n VAL 26 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1w09 s PHE 27 N 0.00 3.51 -0.02 3.52 0.40 -1.26 -5.05 117.98 119.07 1w09 s PHE 27 Ca 0.00 -2.63 -0.03 0.00 -0.60 0.00 0.00 56.93 53.66 1w09 s PHE 27 Cb 0.00 -3.16 0.00 0.00 0.51 0.00 0.00 43.02 40.37 1w09 s PHE 27 CO 0.00 -0.91 0.08 -0.80 0.70 0.00 0.00 175.22 174.29 1w09 s ASN 28 N 1.18 -0.03 0.63 1.36 0.01 -1.26 -5.16 114.94 111.67 1w09 s ASN 28 Ca 0.12 0.03 -0.12 0.00 -0.71 0.00 0.00 52.86 52.18 1w09 s ASN 28 Cb -0.22 0.17 -0.03 0.00 0.41 0.00 0.00 41.25 41.58 1w09 s ASN 28 CO -0.04 -0.12 1.04 -1.81 -1.51 0.00 0.00 177.10 174.66 1w09 s ASP 29 N -0.36 6.00 0.37 -1.22 1.11 -1.26 -4.27 116.67 117.03 1w09 s ASP 29 Ca -0.04 1.52 -0.28 0.00 0.18 0.00 0.00 52.55 53.92 1w09 s ASP 29 Cb -0.03 -2.49 -0.11 0.00 1.07 0.00 0.00 42.92 41.37 1w09 s ASP 29 CO 0.00 -1.02 1.49 -2.16 1.18 0.00 0.00 175.17 174.66 1w09 s PRO 30 N -4.95 4.12 -0.10 8.23 0.04 -1.26 -5.10 135.00 135.97 1w09 s PRO 30 Ca 0.57 2.57 -0.30 0.00 0.04 0.00 0.00 61.00 63.88 1w09 s PRO 30 Cb -0.12 -2.98 -0.02 0.00 0.04 0.00 0.00 34.50 31.42 1w09 s PRO 30 CO 0.51 -0.54 1.16 -0.51 0.04 0.00 0.00 177.00 177.66 1w09 s LEU 31 N -1.90 4.24 0.45 -3.56 1.43 -1.26 -5.01 118.68 113.06 1w09 s LEU 31 Ca 0.54 1.69 -0.22 0.00 -1.03 0.00 0.00 54.13 55.11 1w09 s LEU 31 Cb -0.46 -3.55 -0.09 0.00 0.03 0.00 0.00 46.19 42.12 1w09 s LEU 31 CO 0.61 -0.60 1.05 0.54 0.23 0.00 0.00 176.35 178.18 1w09 s VAL 32 N 2.54 3.72 0.86 -1.59 0.11 -1.26 -5.05 120.40 119.73 1w09 s VAL 32 Ca 0.53 1.19 -0.13 0.00 -2.93 0.00 0.00 61.98 60.64 1w09 s VAL 32 Cb -0.22 -3.55 0.12 0.00 -1.53 0.00 0.00 36.38 31.20 1w09 s VAL 32 CO 0.18 -0.12 1.22 -0.44 -3.33 0.00 0.00 175.10 172.62 1w09 s SER 33 N -1.76 4.05 0.33 3.54 0.01 -1.26 -4.90 113.70 113.70 1w09 s SER 33 Ca 0.63 0.63 0.13 0.00 1.31 0.00 0.00 55.95 58.64 1w09 s SER 33 Cb -0.19 -0.98 0.56 0.00 0.21 0.00 0.00 66.02 65.62 1w09 s SER 33 CO 0.24 -2.18 1.72 1.05 0.41 0.00 0.00 173.24 174.48 1w09 h GLU 34 N -1.25 0.00 -0.31 12.44 -0.00 -1.96 -1.95 114.58 121.55 1w09 h GLU 34 Ca -0.46 0.00 -0.12 0.00 -0.00 0.00 0.00 59.36 58.78 1w09 h GLU 34 Cb 1.30 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.04 1w09 h GLU 34 CO 0.57 0.48 -0.31 1.49 -0.00 0.00 0.00 179.01 181.24 1w09 h GLU 35 N 0.00 0.65 -0.08 1.06 4.81 -1.98 0.31 114.58 119.35 1w09 h GLU 35 Ca -0.00 -0.29 -0.21 0.00 -0.13 0.00 0.00 59.36 58.72 1w09 h GLU 35 Cb 0.89 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.25 1w09 h GLU 35 CO 0.06 0.89 -0.80 -0.44 -0.73 0.00 0.00 179.01 177.98 1w09 h ASP 36 N 0.56 0.63 -0.14 1.04 3.32 -1.90 -2.00 116.42 117.92 1w09 h ASP 36 Ca 0.06 -0.44 -0.03 0.00 0.02 0.00 0.00 57.03 56.64 1w09 h ASP 36 Cb 0.81 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 1w09 h ASP 36 CO 0.07 1.21 -0.04 -0.03 -1.72 0.00 0.00 179.24 178.72 1w09 h MET 37 N 0.34 0.28 -0.51 3.56 4.05 -1.14 -1.76 114.93 119.74 1w09 h MET 37 Ca -0.05 -0.11 0.06 0.00 -0.28 0.00 0.00 59.70 59.31 1w09 h MET 37 Cb 1.41 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 32.15 1w09 h MET 37 CO 0.15 0.58 0.23 0.28 0.23 0.00 0.00 176.91 178.37 1w09 h VAL 38 N -0.04 0.90 -0.35 -5.77 2.07 -0.40 0.63 116.25 113.29 1w09 h VAL 38 Ca 0.03 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.43 1w09 h VAL 38 Cb 0.48 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1w09 h VAL 38 CO 0.02 0.08 0.17 0.74 0.02 0.00 0.00 177.57 178.60 1w09 h THR 39 N 0.44 0.99 -0.92 2.57 2.02 -1.28 0.23 112.91 116.95 1w09 h THR 39 Ca 0.24 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.32 1w09 h THR 39 Cb 0.20 0.60 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 1w09 h THR 39 CO -0.20 0.07 0.60 0.58 0.37 0.00 0.00 175.52 176.94 1w09 h VAL 40 N 0.36 1.17 -0.06 3.16 2.07 -0.49 -0.08 116.25 122.37 1w09 h VAL 40 Ca 0.15 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1w09 h VAL 40 Cb 0.05 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 29.71 1w09 h VAL 40 CO -0.10 0.22 -0.01 0.58 0.02 0.00 0.00 177.57 178.27 1w09 h VAL 41 N 1.18 1.29 -0.50 2.57 2.07 -0.23 -0.42 116.25 122.22 1w09 h VAL 41 Ca 0.36 -0.91 0.06 0.00 0.82 0.00 0.00 66.70 67.03 1w09 h VAL 41 Cb -0.03 1.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 1w09 h VAL 41 CO -0.11 0.25 0.21 -0.33 0.02 0.00 0.00 177.57 177.61 1w09 h GLU 42 N -0.22 0.40 -0.65 1.57 5.08 -0.25 0.95 114.58 121.46 1w09 h GLU 42 Ca 0.02 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1w09 h GLU 42 Cb 0.40 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1w09 h GLU 42 CO 0.01 0.26 0.17 -0.44 -1.00 0.00 0.00 179.01 178.01 1w09 h ASP 43 N 0.41 0.97 -0.68 1.42 5.19 -0.98 -1.72 116.42 121.03 1w09 h ASP 43 Ca 0.24 -0.22 -0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1w09 h ASP 43 Cb 0.21 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.44 1w09 h ASP 43 CO -0.21 0.94 0.41 -0.50 -3.12 0.00 0.00 179.24 176.76 1w09 h TRP 44 N 0.95 0.90 -0.32 4.55 6.55 -0.19 0.14 115.95 128.53 1w09 h TRP 44 Ca 0.21 -0.00 -0.09 0.00 0.95 0.00 0.00 58.89 59.96 1w09 h TRP 44 Cb 0.34 -0.29 -0.01 0.00 -0.86 0.00 0.00 29.16 28.34 1w09 h TRP 44 CO 0.03 0.60 -0.14 1.98 -1.05 0.00 0.00 178.44 179.86 1w09 h MET 45 N 0.93 0.65 -0.09 0.49 4.05 -0.61 -1.74 114.93 118.61 1w09 h MET 45 Ca 0.24 -0.28 -0.16 0.00 -0.28 0.00 0.00 59.70 59.22 1w09 h MET 45 Cb -0.03 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 1w09 h MET 45 CO -0.05 0.86 -0.64 -0.91 0.23 0.00 0.00 176.91 176.41 1w09 h ASN 46 N 0.42 0.39 -0.51 1.39 2.35 -1.19 -1.86 115.58 116.57 1w09 h ASN 46 Ca 0.07 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.56 1w09 h ASN 46 Cb 0.66 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 1w09 h ASN 46 CO 0.04 0.93 0.21 0.15 -1.65 0.00 0.00 177.43 177.12 1w09 h PHE 47 N 0.25 0.76 -0.19 1.19 3.57 -0.65 -1.95 116.94 119.93 1w09 h PHE 47 Ca -0.01 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.37 1w09 h PHE 47 Cb 1.18 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 1w09 h PHE 47 CO 0.03 0.62 -0.13 1.88 -2.23 0.00 0.00 178.31 178.48 1w09 h TYR 48 N 0.68 0.49 0.21 0.41 0.05 -1.24 -0.69 116.97 116.87 1w09 h TYR 48 Ca 0.17 -0.13 0.01 0.00 0.05 0.00 0.00 58.73 58.83 1w09 h TYR 48 Cb 0.18 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.78 1w09 h TYR 48 CO 0.00 0.75 -0.32 0.82 -1.05 0.00 0.00 178.16 178.37 1w09 h ILE 49 N 0.09 0.33 -0.41 -2.88 1.08 -1.24 0.29 117.51 114.76 1w09 h ILE 49 Ca 0.04 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.43 1w09 h ILE 49 Cb 0.65 0.33 -0.02 0.00 -3.07 0.00 0.00 36.82 34.71 1w09 h ILE 49 CO 0.04 0.00 -0.05 0.78 -0.69 0.00 0.00 178.15 178.22 1w09 h ASN 50 N -0.60 0.68 -0.38 1.72 2.35 -1.43 -1.89 115.58 116.03 1w09 h ASN 50 Ca 0.01 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.57 1w09 h ASN 50 Cb 0.59 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 1w09 h ASN 50 CO -0.13 0.78 0.19 0.22 -1.65 0.00 0.00 177.43 176.84 1w09 h TYR 51 N 0.65 0.54 0.00 1.19 3.20 -0.61 -3.12 116.97 118.82 1w09 h TYR 51 Ca 0.12 -0.02 -0.20 0.00 3.14 0.00 0.00 58.73 61.77 1w09 h TYR 51 Cb 0.48 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1w09 h TYR 51 CO 0.02 0.45 -0.89 1.88 -1.64 0.00 0.00 178.16 177.98 1w09 h TYR 52 N 0.48 0.36 0.00 -3.82 0.05 -0.29 -2.65 116.97 111.11 1w09 h TYR 52 Ca 0.13 -0.20 -0.02 0.00 0.05 0.00 0.00 58.73 58.69 1w09 h TYR 52 Cb 0.10 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 37.80 1w09 h TYR 52 CO -0.02 1.01 -0.09 0.00 -1.05 0.00 0.00 178.16 178.02 1w09 h ARG 53 N 0.14 0.00 0.00 4.88 3.08 -1.32 -2.53 114.38 118.63 1w09 h ARG 53 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1w09 h ARG 53 Cb 1.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.57 1w09 h ARG 53 CO 0.14 0.09 -1.50 0.94 -1.07 0.00 0.00 179.97 178.56 1w09 n GLN 54 N -3.71 0.39 -1.74 0.04 7.27 -1.18 -4.48 117.38 113.97 1w09 n GLN 54 Ca -0.02 -0.10 -0.37 0.00 0.07 0.00 0.00 57.00 56.59 1w09 n GLN 54 Cb 0.20 -1.53 0.05 0.00 2.41 0.00 0.00 30.24 31.36 1w09 n GLN 54 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1w09 n GLN 55 N -1.99 2.81 -4.57 3.69 1.13 -0.95 -4.97 117.38 112.53 1w09 n GLN 55 Ca -0.00 -3.52 -0.26 0.00 -1.94 0.00 0.00 57.00 51.27 1w09 n GLN 55 Cb 0.47 -2.28 -0.10 0.00 0.11 0.00 0.00 30.24 28.45 1w09 n GLN 55 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1w09 s VAL 56 N -4.99 1.23 0.23 5.09 1.01 -1.25 -4.97 120.40 116.76 1w09 s VAL 56 Ca 0.57 -2.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.50 1w09 s VAL 56 Cb 0.46 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 1w09 s VAL 56 CO -0.23 0.00 0.27 0.42 0.00 0.00 0.00 175.10 175.56 1w09 s THR 57 N -3.06 0.00 0.00 3.92 -4.23 -1.26 -5.12 115.64 105.89 1w09 s THR 57 Ca 0.27 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 1w09 s THR 57 Cb 0.06 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.48 1w09 s THR 57 CO 0.13 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 1w09 n GLY 58 N -0.35 -1.03 3.77 3.99 0.00 -1.26 -4.85 105.19 105.46 1w09 n GLY 58 Ca 0.01 -1.38 -0.38 0.00 0.00 0.00 0.00 46.02 44.27 1w09 n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1w09 s GLU 59 N 0.00 3.83 0.46 1.61 2.02 -1.26 -4.94 118.70 120.43 1w09 s GLU 59 Ca 0.00 1.94 0.23 0.00 0.02 0.00 0.00 54.97 57.16 1w09 s GLU 59 Cb 0.00 -2.56 1.13 0.00 0.10 0.00 0.00 34.13 32.80 1w09 s GLU 59 CO 0.00 -0.54 1.94 -1.00 0.02 0.00 0.00 175.26 175.68 1w09 h PRO 60 N 2.31 0.00 -0.48 0.39 0.13 -2.01 -3.04 132.00 129.30 1w09 h PRO 60 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 1w09 h PRO 60 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1w09 h PRO 60 CO 0.61 0.21 0.17 0.37 -0.23 0.00 0.00 178.00 179.14 1w09 h GLN 61 N 0.00 0.73 -0.64 0.86 4.15 -1.99 -2.00 115.11 116.22 1w09 h GLN 61 Ca -0.00 -0.14 -0.00 0.00 0.77 0.00 0.00 58.65 59.27 1w09 h GLN 61 Cb 0.53 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.08 1w09 h GLN 61 CO 0.03 0.67 0.39 0.93 -1.93 0.00 0.00 178.83 178.92 1w09 h GLU 62 N 0.63 0.86 -0.13 1.69 5.08 -1.93 -2.03 114.58 118.76 1w09 h GLU 62 Ca 0.16 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1w09 h GLU 62 Cb 0.23 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1w09 h GLU 62 CO -0.01 0.61 -0.12 0.00 -1.00 0.00 0.00 179.01 178.49 1w09 h ARG 63 N 0.87 -0.14 -0.89 2.33 2.47 -1.50 -1.44 114.38 116.08 1w09 h ARG 63 Ca 0.23 0.01 0.10 0.00 -1.26 0.00 0.00 59.98 59.06 1w09 h ARG 63 Cb -0.04 0.03 -0.08 0.00 -1.65 0.00 0.00 29.97 28.24 1w09 h ARG 63 CO -0.04 -0.09 0.54 -0.44 0.56 0.00 0.00 179.97 180.49 1w09 h ASP 64 N -0.15 0.79 -0.02 7.04 5.19 -0.95 0.35 116.42 128.68 1w09 h ASP 64 Ca 0.09 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1w09 h ASP 64 Cb 0.27 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.67 1w09 h ASP 64 CO -0.22 0.45 0.01 0.11 -3.12 0.00 0.00 179.24 176.47 1w09 h LYS 65 N 0.89 0.03 -0.92 3.56 1.57 -0.65 0.08 116.57 121.13 1w09 h LYS 65 Ca 0.43 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 59.21 1w09 h LYS 65 Cb 0.37 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.63 1w09 h LYS 65 CO -0.24 0.18 0.61 0.00 -0.57 0.00 0.00 179.45 179.43 1w09 h ALA 66 N 0.84 1.17 -0.36 3.86 0.00 -0.68 -0.31 119.26 123.78 1w09 h ALA 66 Ca 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1w09 h ALA 66 Cb 0.16 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1w09 h ALA 66 CO -0.00 0.56 0.19 -0.07 0.00 0.00 0.00 179.25 179.93 1w09 h LEU 67 N 1.24 0.46 -0.72 0.00 4.07 -0.05 0.57 115.31 120.89 1w09 h LEU 67 Ca 0.34 -0.11 -0.10 0.00 0.08 0.00 0.00 57.88 58.09 1w09 h LEU 67 Cb -0.14 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.47 1w09 h LEU 67 CO -0.08 0.44 -0.11 0.06 -1.08 0.00 0.00 178.44 177.68 1w09 h GLN 68 N 0.46 0.88 -0.05 1.13 -0.00 -0.62 -1.94 115.11 114.96 1w09 h GLN 68 Ca 0.13 -0.30 -0.08 0.00 -0.00 0.00 0.00 58.65 58.40 1w09 h GLN 68 Cb 0.09 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.48 27.49 1w09 h GLN 68 CO -0.02 0.94 -0.32 1.49 -0.00 0.00 0.00 178.83 180.92 1w09 h GLU 69 N 0.79 0.09 -0.00 0.06 4.57 -0.76 -1.88 114.58 117.45 1w09 h GLU 69 Ca 0.13 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1w09 h GLU 69 Cb 0.62 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.20 1w09 h GLU 69 CO 0.04 0.41 -0.01 -0.07 -1.18 0.00 0.00 179.01 178.20 1w09 h LEU 70 N 0.08 0.02 -0.99 1.64 3.38 -0.42 0.38 115.31 119.40 1w09 h LEU 70 Ca 0.01 -0.55 0.08 0.00 0.09 0.00 0.00 57.88 57.51 1w09 h LEU 70 Cb 0.61 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.29 1w09 h LEU 70 CO 0.04 0.56 0.63 0.08 0.09 0.00 0.00 178.44 179.85 1w09 h ARG 71 N -0.53 1.06 -0.11 1.13 0.11 -1.25 0.23 114.38 115.02 1w09 h ARG 71 Ca 0.00 -0.06 -0.18 0.00 0.10 0.00 0.00 59.98 59.83 1w09 h ARG 71 Cb 0.56 -0.24 -0.00 0.00 1.11 0.00 0.00 29.97 31.40 1w09 h ARG 71 CO 0.00 0.70 -0.69 1.96 0.10 0.00 0.00 179.97 182.04 1w09 h GLN 72 N 1.09 0.49 -0.42 0.08 4.20 -1.31 -1.88 115.11 117.36 1w09 h GLN 72 Ca 0.45 -0.38 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1w09 h GLN 72 Cb 0.27 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1w09 h GLN 72 CO -0.20 1.00 0.24 0.93 -0.67 0.00 0.00 178.83 180.13 1w09 h GLU 73 N 0.34 0.58 -0.25 1.46 3.07 0.17 -1.49 114.58 118.46 1w09 h GLU 73 Ca -0.02 -0.06 -0.06 0.00 -0.50 0.00 0.00 59.36 58.71 1w09 h GLU 73 Cb 1.26 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 29.05 1w09 h GLU 73 CO 0.12 0.45 -0.09 -0.07 -1.40 0.00 0.00 179.01 178.02 1w09 h LEU 74 N 0.55 0.51 -1.19 1.33 3.38 -0.63 0.81 115.31 120.08 1w09 h LEU 74 Ca 0.15 -0.39 0.17 0.00 0.09 0.00 0.00 57.88 57.90 1w09 h LEU 74 Cb 0.03 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.55 1w09 h LEU 74 CO -0.03 0.78 0.60 -1.13 0.09 0.00 0.00 178.44 178.76 1w09 h ASN 75 N 0.24 0.70 0.00 -0.43 -1.24 -1.11 0.50 115.58 114.24 1w09 h ASN 75 Ca 0.06 0.06 -0.02 0.00 0.71 0.00 0.00 56.30 57.11 1w09 h ASN 75 Cb 0.57 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.55 1w09 h ASN 75 CO 0.03 0.30 -0.11 0.71 -1.29 0.00 0.00 177.43 177.08 1w09 h THR 76 N 0.71 1.60 -0.54 -3.57 1.35 -1.14 -3.22 112.91 108.10 1w09 h THR 76 Ca 0.51 -2.24 0.09 0.00 -0.55 0.00 0.00 66.41 64.22 1w09 h THR 76 Cb 0.84 3.07 -0.03 0.00 -1.73 0.00 0.00 68.15 70.30 1w09 h THR 76 CO -0.27 0.54 0.37 -0.07 -0.25 0.00 0.00 175.52 175.84 1w09 h LEU 77 N -1.00 0.31 -0.44 3.87 3.38 -0.33 -1.80 115.31 119.30 1w09 h LEU 77 Ca -0.03 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 1w09 h LEU 77 Cb 0.96 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1w09 h LEU 77 CO -0.02 0.19 -0.78 0.00 0.09 0.00 0.00 178.44 177.92 1w09 h ALA 78 N 1.72 0.69 -0.39 1.53 0.00 -0.13 -3.28 119.26 119.40 1w09 h ALA 78 Ca 0.25 -0.69 0.08 0.00 0.00 0.00 0.00 54.91 54.55 1w09 h ALA 78 Cb 0.53 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 1w09 h ALA 78 CO -0.06 0.92 -0.11 -0.97 0.00 0.00 0.00 179.25 179.03 1w09 h ASN 79 N 0.05 -0.41 0.14 0.00 -1.24 -1.33 -0.49 115.58 112.30 1w09 h ASN 79 Ca -0.02 0.12 -0.13 0.00 0.71 0.00 0.00 56.30 56.99 1w09 h ASN 79 Cb 1.37 0.26 -0.01 0.00 0.73 0.00 0.00 38.32 40.67 1w09 h ASN 79 CO 0.11 -0.14 -0.44 1.55 -1.29 0.00 0.00 177.43 177.21 1w09 h PRO 80 N -0.02 0.38 0.25 6.67 0.13 -1.66 -2.75 132.00 135.00 1w09 h PRO 80 Ca 0.19 -0.20 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 1w09 h PRO 80 Cb 0.31 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.45 1w09 h PRO 80 CO -0.42 0.75 -0.12 0.35 -0.23 0.00 0.00 178.00 178.34 1w09 h PHE 81 N 0.31 -0.31 -0.15 1.56 3.57 -1.48 -1.97 116.94 118.47 1w09 h PHE 81 Ca 0.02 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.56 1w09 h PHE 81 Cb 0.91 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 1w09 h PHE 81 CO 0.03 0.00 0.12 -0.07 -2.23 0.00 0.00 178.31 176.16 1w09 h LEU 82 N -0.65 0.00 -0.08 0.59 3.38 -1.16 -1.74 115.31 115.66 1w09 h LEU 82 Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1w09 h LEU 82 Cb 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1w09 h LEU 82 CO 0.06 0.00 -0.08 0.00 0.09 0.00 0.00 178.44 178.50 1w09 h ALA 83 N 1.91 0.12 -0.88 1.53 0.00 -1.28 0.39 119.26 121.04 1w09 h ALA 83 Ca 0.07 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1w09 h ALA 83 Cb 0.31 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1w09 h ALA 83 CO -0.00 -0.06 0.56 0.87 0.00 0.00 0.00 179.25 180.62 1w09 h LYS 84 N -0.24 1.04 0.01 0.00 6.56 -0.56 0.27 116.57 123.65 1w09 h LYS 84 Ca 0.01 -0.06 -0.21 0.00 -1.06 0.00 0.00 60.65 59.33 1w09 h LYS 84 Cb 0.60 -0.24 -0.01 0.00 -0.57 0.00 0.00 32.23 32.01 1w09 h LYS 84 CO 0.02 0.69 -0.90 -0.92 -2.06 0.00 0.00 179.45 176.28 1w09 h TYR 85 N 1.08 0.36 -0.53 -1.35 3.20 -1.32 -1.16 116.97 117.25 1w09 h TYR 85 Ca 0.36 -0.20 -0.11 0.00 3.14 0.00 0.00 58.73 61.92 1w09 h TYR 85 Cb 0.05 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 1w09 h TYR 85 CO -0.02 1.02 -0.09 0.00 -1.64 0.00 0.00 178.16 177.43 1w09 h ARG 86 N 0.13 1.00 -0.14 1.82 2.47 0.54 0.48 114.38 120.67 1w09 h ARG 86 Ca -0.05 -0.37 -0.19 0.00 -1.26 0.00 0.00 59.98 58.11 1w09 h ARG 86 Cb 1.54 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 29.79 1w09 h ARG 86 CO 0.14 1.05 -0.68 -0.44 0.56 0.00 0.00 179.97 180.60 1w09 h ASP 87 N 0.87 0.67 0.70 7.04 5.19 -0.51 -1.89 116.42 128.49 1w09 h ASP 87 Ca 0.14 -0.41 -0.11 0.00 -0.62 0.00 0.00 57.03 56.03 1w09 h ASP 87 Cb 0.66 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.95 1w09 h ASP 87 CO 0.05 1.16 -0.55 0.15 -3.12 0.00 0.00 179.24 176.93 1w09 h PHE 88 N 0.41 0.00 -0.11 4.55 3.57 -1.01 0.21 116.94 124.57 1w09 h PHE 88 Ca -0.02 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 1w09 h PHE 88 Cb 1.26 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.00 1w09 h PHE 88 CO 0.06 0.55 -0.27 -0.07 -2.23 0.00 0.00 178.31 176.34 1w09 h LEU 89 N 0.00 0.43 -0.66 0.59 4.07 0.09 0.32 115.31 120.14 1w09 h LEU 89 Ca -0.01 -0.58 -0.14 0.00 0.08 0.00 0.00 57.88 57.23 1w09 h LEU 89 Cb 1.04 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 42.64 1w09 h LEU 89 CO 0.07 0.93 -0.65 0.11 -1.08 0.00 0.00 178.44 177.82 1w09 h LYS 90 N -0.06 0.10 0.00 1.13 6.56 -1.25 -3.28 116.57 119.76 1w09 h LYS 90 Ca -0.00 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.51 1w09 h LYS 90 Cb 0.88 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.55 1w09 h LYS 90 CO 0.06 0.71 -1.29 0.45 -2.06 0.00 0.00 179.45 177.32 1w09 n SER 91 N -3.80 0.60 -4.71 0.86 2.88 0.74 -4.92 113.62 105.27 1w09 n SER 91 Ca -0.02 -0.49 -0.39 0.00 -1.33 0.00 0.00 58.87 56.65 1w09 n SER 91 Cb 0.64 1.23 -0.06 0.00 -0.75 0.00 0.00 64.21 65.28 1w09 n SER 91 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1w09 s HIS 92 N -3.20 3.51 0.01 0.66 -3.43 0.11 -5.02 115.29 107.93 1w09 s HIS 92 Ca 0.02 1.01 0.08 0.00 -0.80 0.00 0.00 55.06 55.37 1w09 s HIS 92 Cb 0.15 -2.67 -0.02 0.00 -1.43 0.00 0.00 32.58 28.60 1w09 s HIS 92 CO 0.86 0.08 -0.25 -2.00 -2.00 0.00 0.00 174.74 171.44 1w09 s GLU 93 N 0.90 1.86 0.00 -0.38 2.12 -1.26 -4.87 118.70 117.06 1w09 s GLU 93 Ca 0.30 -0.97 0.00 0.00 0.36 0.00 0.00 54.97 54.66 1w09 s GLU 93 Cb -0.16 -1.90 0.00 0.00 0.26 0.00 0.00 34.13 32.32 1w09 s GLU 93 CO 0.13 0.51 0.00 1.28 -0.54 0.00 0.00 175.26 176.64