#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w09 n LEU 4 N 0.00 -6.09 0.24 1.47 4.77 -1.26 -4.52 117.00 111.61 1w09 n LEU 4 Ca 0.00 2.96 0.16 0.00 -0.03 0.00 0.00 56.01 59.11 1w09 n LEU 4 Cb 0.00 -3.09 0.81 0.00 -2.33 0.00 0.00 43.42 38.82 1w09 n LEU 4 CO 0.00 -2.10 0.99 0.50 -1.33 0.00 0.00 177.39 175.45 1w09 h LYS 5 N 4.09 0.00 -0.30 3.23 1.63 -2.04 -2.66 116.57 120.51 1w09 h LYS 5 Ca 0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1w09 h LYS 5 Cb 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1w09 h LYS 5 CO 0.00 0.00 0.16 0.00 -3.45 0.00 0.00 179.45 176.16 1w09 h ALA 6 N 2.04 0.39 0.53 5.00 0.00 -1.98 0.44 119.26 125.68 1w09 h ALA 6 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1w09 h ALA 6 Cb 0.14 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1w09 h ALA 6 CO 0.00 -0.08 -0.25 -0.91 0.00 0.00 0.00 179.25 178.00 1w09 h ASN 7 N 0.37 -0.60 -0.22 0.00 2.35 -1.70 -1.38 115.58 114.39 1w09 h ASN 7 Ca 0.11 -0.03 0.05 0.00 -0.55 0.00 0.00 56.30 55.87 1w09 h ASN 7 Cb 0.07 0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1w09 h ASN 7 CO -0.02 -0.34 0.16 0.11 -1.65 0.00 0.00 177.43 175.69 1w09 h LYS 8 N -0.85 0.10 -0.33 0.81 1.57 -1.59 -1.36 116.57 114.93 1w09 h LYS 8 Ca -0.07 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1w09 h LYS 8 Cb 0.60 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1w09 h LYS 8 CO 0.12 0.06 -0.02 0.22 -0.57 0.00 0.00 179.45 179.26 1w09 h ASP 9 N 0.10 0.59 -0.49 0.86 3.58 0.23 0.03 116.42 121.32 1w09 h ASP 9 Ca 0.10 -0.33 0.00 0.00 0.42 0.00 0.00 57.03 57.23 1w09 h ASP 9 Cb 0.28 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 1w09 h ASP 9 CO -0.01 0.77 0.33 0.25 -2.88 0.00 0.00 179.24 177.70 1w09 h LEU 10 N 0.39 0.57 0.42 2.28 5.85 -0.18 -0.45 115.31 124.19 1w09 h LEU 10 Ca 0.09 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1w09 h LEU 10 Cb 0.49 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1w09 h LEU 10 CO 0.02 0.41 -0.20 0.40 -0.34 0.00 0.00 178.44 178.73 1w09 h ILE 11 N 0.67 0.59 -0.87 4.05 1.08 -1.22 -1.58 117.51 120.23 1w09 h ILE 11 Ca 0.18 -0.04 0.22 0.00 -0.39 0.00 0.00 64.86 64.82 1w09 h ILE 11 Cb -0.08 0.61 -0.05 0.00 -3.07 0.00 0.00 36.82 34.23 1w09 h ILE 11 CO -0.04 0.01 0.59 0.28 -0.69 0.00 0.00 178.15 178.30 1w09 h SER 12 N -0.59 0.25 -0.29 1.72 0.02 -0.73 0.48 113.55 114.41 1w09 h SER 12 Ca -0.06 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.85 1w09 h SER 12 Cb 0.45 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1w09 h SER 12 CO 0.09 0.10 -0.09 0.00 -1.14 0.00 0.00 176.83 175.79 1w09 h ALA 13 N 1.60 0.40 0.00 3.77 0.00 -0.38 0.37 119.26 125.02 1w09 h ALA 13 Ca 0.44 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1w09 h ALA 13 Cb 1.32 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1w09 h ALA 13 CO -0.11 0.24 -0.38 0.78 0.00 0.00 0.00 179.25 179.78 1w09 h GLY 14 N 0.33 0.00 0.44 0.00 0.00 0.14 0.48 103.07 104.46 1w09 h GLY 14 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 1w09 h GLY 14 CO 0.03 0.00 -0.21 1.41 0.00 0.00 0.00 176.54 177.77 1w09 h LEU 15 N 0.00 -0.50 -1.40 3.11 -0.00 0.25 -1.07 115.31 115.71 1w09 h LEU 15 Ca -0.00 0.02 0.02 0.00 -0.00 0.00 0.00 57.88 57.92 1w09 h LEU 15 Cb 0.75 0.13 -0.03 0.00 -0.00 0.00 0.00 40.66 41.51 1w09 h LEU 15 CO 0.05 -0.14 0.42 0.50 -0.00 0.00 0.00 178.44 179.28 1w09 h LYS 16 N -1.02 0.78 -0.06 1.13 3.64 -0.28 0.38 116.57 121.14 1w09 h LYS 16 Ca -0.06 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1w09 h LYS 16 Cb 0.45 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1w09 h LYS 16 CO 0.10 0.52 0.04 0.93 -2.27 0.00 0.00 179.45 178.76 1w09 h GLU 17 N 0.80 0.08 -0.02 1.90 4.39 -0.93 0.85 114.58 121.65 1w09 h GLU 17 Ca 0.25 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 1w09 h GLU 17 Cb 0.01 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1w09 h GLU 17 CO -0.06 0.08 -0.04 0.35 -1.16 0.00 0.00 179.01 178.18 1w09 h PHE 18 N 0.05 0.08 -0.11 4.33 3.57 -0.49 -0.31 116.94 124.06 1w09 h PHE 18 Ca 0.02 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1w09 h PHE 18 Cb 0.02 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 1w09 h PHE 18 CO -0.07 0.61 -0.13 0.77 -2.23 0.00 0.00 178.31 177.27 1w09 h SER 19 N -0.48 -0.40 -0.13 0.41 0.02 -0.25 0.16 113.55 112.88 1w09 h SER 19 Ca 0.00 0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 1w09 h SER 19 Cb 0.60 0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 1w09 h SER 19 CO 0.01 -0.17 -0.18 0.58 -1.14 0.00 0.00 176.83 175.93 1w09 h VAL 20 N -0.16 1.25 -0.24 2.27 2.07 -0.90 -1.89 116.25 118.64 1w09 h VAL 20 Ca 0.08 -1.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.42 1w09 h VAL 20 Cb 0.28 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1w09 h VAL 20 CO -0.21 0.37 0.01 0.25 0.02 0.00 0.00 177.57 178.02 1w09 h LEU 21 N 0.48 0.41 -0.67 2.57 5.85 -0.26 1.07 115.31 124.77 1w09 h LEU 21 Ca 0.08 -0.29 -0.06 0.00 0.84 0.00 0.00 57.88 58.45 1w09 h LEU 21 Cb 0.58 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1w09 h LEU 21 CO 0.04 0.60 0.18 -0.07 -0.34 0.00 0.00 178.44 178.85 1w09 h LEU 22 N 0.20 0.99 0.00 2.25 3.38 -0.61 -0.61 115.31 120.91 1w09 h LEU 22 Ca 0.07 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1w09 h LEU 22 Cb 0.38 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1w09 h LEU 22 CO 0.01 0.96 -0.24 0.78 0.09 0.00 0.00 178.44 180.04 1w09 h ASN 23 N 0.98 0.00 -0.39 -0.43 2.35 -1.24 -3.29 115.58 113.56 1w09 h ASN 23 Ca 0.21 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1w09 h ASN 23 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1w09 h ASN 23 CO -0.00 0.02 0.00 1.67 -1.65 0.00 0.00 177.43 177.47 1w09 n GLN 24 N -2.57 2.39 -0.80 0.81 0.00 0.37 -5.00 117.38 112.57 1w09 n GLN 24 Ca 0.04 -2.12 -0.33 0.00 -0.00 0.00 0.00 57.00 54.58 1w09 n GLN 24 Cb 0.48 -1.40 0.12 0.00 0.00 0.00 0.00 30.24 29.44 1w09 n GLN 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1w09 n GLN 25 N 1.07 -0.52 -4.39 3.69 1.13 -0.27 -4.95 117.38 113.14 1w09 n GLN 25 Ca 0.16 -0.12 -0.34 0.00 -1.94 0.00 0.00 57.00 54.76 1w09 n GLN 25 Cb 0.50 -1.72 -0.11 0.00 0.11 0.00 0.00 30.24 29.03 1w09 n GLN 25 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1w09 s VAL 26 N -2.31 4.05 -0.57 5.09 0.11 -1.26 -5.06 120.40 120.44 1w09 s VAL 26 Ca 0.54 -0.32 -0.08 0.00 -2.93 0.00 0.00 61.98 59.19 1w09 s VAL 26 Cb -0.18 -2.75 0.15 0.00 -1.53 0.00 0.00 36.38 32.07 1w09 s VAL 26 CO 0.69 0.53 0.44 -0.36 -3.33 0.00 0.00 175.10 173.07 1w09 s PHE 27 N -0.12 3.49 -0.04 1.54 0.40 -1.26 -5.03 117.98 116.96 1w09 s PHE 27 Ca 0.03 -2.14 -0.07 0.00 -0.60 0.00 0.00 56.93 54.16 1w09 s PHE 27 Cb -0.13 -3.47 0.01 0.00 0.51 0.00 0.00 43.02 39.94 1w09 s PHE 27 CO 0.02 -0.95 0.17 1.21 0.70 0.00 0.00 175.22 176.36 1w09 s ASN 28 N 2.04 -0.10 0.14 1.36 2.47 -1.26 -5.14 114.94 114.44 1w09 s ASN 28 Ca 0.11 0.13 -0.18 0.00 0.42 0.00 0.00 52.86 53.34 1w09 s ASN 28 Cb -0.22 0.30 -0.07 0.00 -1.45 0.00 0.00 41.25 39.81 1w09 s ASN 28 CO -0.03 -0.19 0.62 1.51 -3.72 0.00 0.00 177.10 175.29 1w09 s ASP 29 N -0.50 7.02 0.64 -4.21 -4.77 -1.26 -3.52 116.67 110.06 1w09 s ASP 29 Ca -0.06 1.28 -0.18 0.00 -3.30 0.00 0.00 52.55 50.29 1w09 s ASP 29 Cb -0.04 -2.37 -0.01 0.00 -1.09 0.00 0.00 42.92 39.41 1w09 s ASP 29 CO 0.01 0.16 1.25 -2.16 0.70 0.00 0.00 175.17 175.13 1w09 s PRO 30 N -1.59 2.66 0.04 2.11 0.04 -1.26 -5.16 135.00 131.85 1w09 s PRO 30 Ca 0.36 1.95 0.01 0.00 0.04 0.00 0.00 61.00 63.35 1w09 s PRO 30 Cb -0.18 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1w09 s PRO 30 CO 0.20 -1.48 0.13 -0.51 0.04 0.00 0.00 177.00 175.38 1w09 s LEU 31 N -4.34 4.04 0.38 -3.56 1.02 -1.23 -5.10 118.68 109.89 1w09 s LEU 31 Ca 0.80 0.14 -0.24 0.00 0.02 0.00 0.00 54.13 54.85 1w09 s LEU 31 Cb -0.34 -2.57 -0.10 0.00 0.02 0.00 0.00 46.19 43.20 1w09 s LEU 31 CO 0.38 0.21 0.99 0.54 0.02 0.00 0.00 176.35 178.48 1w09 s VAL 32 N -1.36 4.05 0.86 -1.59 0.11 -1.26 -5.05 120.40 116.15 1w09 s VAL 32 Ca 0.29 1.54 -0.13 0.00 -2.93 0.00 0.00 61.98 60.75 1w09 s VAL 32 Cb -0.12 -3.78 0.12 0.00 -1.53 0.00 0.00 36.38 31.06 1w09 s VAL 32 CO 0.21 -0.02 1.22 -0.44 -3.33 0.00 0.00 175.10 172.75 1w09 s SER 33 N -1.72 4.03 0.13 3.54 0.01 -1.26 -4.86 113.70 113.57 1w09 s SER 33 Ca 0.56 0.63 -0.15 0.00 1.31 0.00 0.00 55.95 58.30 1w09 s SER 33 Cb -0.18 -0.99 -0.01 0.00 0.21 0.00 0.00 66.02 65.05 1w09 s SER 33 CO 0.23 -2.19 1.63 -0.08 0.41 0.00 0.00 173.24 173.23 1w09 h GLU 34 N -1.26 0.64 -0.36 12.44 4.81 -1.97 -0.35 114.58 128.53 1w09 h GLU 34 Ca -0.46 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 58.58 1w09 h GLU 34 Cb 1.30 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 1w09 h GLU 34 CO 0.57 0.67 0.05 1.49 -0.73 0.00 0.00 179.01 181.07 1w09 h GLU 35 N 0.51 0.54 -0.19 1.92 4.57 -1.99 0.19 114.58 120.12 1w09 h GLU 35 Ca 0.13 -0.10 -0.19 0.00 -1.18 0.00 0.00 59.36 58.02 1w09 h GLU 35 Cb 0.32 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1w09 h GLU 35 CO 0.00 0.53 -0.64 0.22 -1.18 0.00 0.00 179.01 177.94 1w09 h ASP 36 N 0.53 0.80 -0.36 1.04 1.82 -1.87 -2.02 116.42 116.35 1w09 h ASP 36 Ca 0.12 -0.47 -0.09 0.00 -0.39 0.00 0.00 57.03 56.20 1w09 h ASP 36 Cb 0.26 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 40.02 1w09 h ASP 36 CO 0.00 1.24 -0.12 -0.03 -1.61 0.00 0.00 179.24 178.72 1w09 h MET 37 N 0.51 0.71 -0.35 0.28 4.05 -0.46 -1.84 114.93 117.84 1w09 h MET 37 Ca -0.01 -0.29 0.03 0.00 -0.28 0.00 0.00 59.70 59.15 1w09 h MET 37 Cb 1.23 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.97 1w09 h MET 37 CO 0.13 0.89 0.16 0.28 0.23 0.00 0.00 176.91 178.60 1w09 h VAL 38 N 0.50 0.96 -0.32 -5.77 2.07 -0.61 0.19 116.25 113.28 1w09 h VAL 38 Ca 0.09 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1w09 h VAL 38 Cb 0.64 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1w09 h VAL 38 CO 0.04 0.06 0.20 0.00 0.02 0.00 0.00 177.57 177.89 1w09 h THR 39 N 0.34 1.06 -0.53 2.57 1.03 -1.27 0.18 112.91 116.28 1w09 h THR 39 Ca 0.15 -0.14 0.02 0.00 -0.01 0.00 0.00 66.41 66.43 1w09 h THR 39 Cb 0.08 0.62 -0.03 0.00 -1.07 0.00 0.00 68.15 67.74 1w09 h THR 39 CO -0.12 0.07 0.32 0.58 -0.01 0.00 0.00 175.52 176.37 1w09 h VAL 40 N 0.41 1.06 -0.13 0.00 2.07 -0.83 0.17 116.25 118.99 1w09 h VAL 40 Ca 0.12 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1w09 h VAL 40 Cb -0.02 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1w09 h VAL 40 CO -0.04 0.12 0.07 0.58 0.02 0.00 0.00 177.57 178.31 1w09 h VAL 41 N 0.63 1.10 -0.42 2.57 2.07 -0.17 -0.12 116.25 121.92 1w09 h VAL 41 Ca 0.21 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.47 1w09 h VAL 41 Cb 0.02 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1w09 h VAL 41 CO -0.09 0.09 0.22 -0.08 0.02 0.00 0.00 177.57 177.73 1w09 h GLU 42 N 0.10 0.43 -0.50 1.57 4.81 -0.28 0.75 114.58 121.47 1w09 h GLU 42 Ca 0.04 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1w09 h GLU 42 Cb 0.09 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 1w09 h GLU 42 CO -0.01 0.29 0.27 0.22 -0.73 0.00 0.00 179.01 179.06 1w09 h ASP 43 N 0.45 0.42 -0.95 1.04 3.58 -0.45 0.17 116.42 120.67 1w09 h ASP 43 Ca 0.17 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.65 1w09 h ASP 43 Cb 0.06 -0.07 -0.05 0.00 1.72 0.00 0.00 39.33 40.99 1w09 h ASP 43 CO -0.11 0.29 0.62 -0.50 -2.88 0.00 0.00 179.24 176.66 1w09 h TRP 44 N 0.54 1.21 -0.18 0.28 6.55 -0.37 0.23 115.95 124.21 1w09 h TRP 44 Ca 0.21 0.02 -0.11 0.00 0.95 0.00 0.00 58.89 59.96 1w09 h TRP 44 Cb 0.08 -0.41 0.00 0.00 -0.86 0.00 0.00 29.16 27.97 1w09 h TRP 44 CO -0.08 0.77 -0.33 1.98 -1.05 0.00 0.00 178.44 179.73 1w09 h MET 45 N 1.30 0.54 -0.09 0.49 4.05 0.11 -1.58 114.93 119.74 1w09 h MET 45 Ca 0.35 -0.34 -0.20 0.00 -0.28 0.00 0.00 59.70 59.23 1w09 h MET 45 Cb -0.13 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.71 1w09 h MET 45 CO -0.07 0.95 -0.76 -0.91 0.23 0.00 0.00 176.91 176.34 1w09 h ASN 46 N 0.19 0.62 -0.44 1.39 2.35 -0.54 -0.90 115.58 118.25 1w09 h ASN 46 Ca 0.01 -0.41 -0.03 0.00 -0.55 0.00 0.00 56.30 55.32 1w09 h ASN 46 Cb 0.92 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.09 1w09 h ASN 46 CO 0.07 1.17 0.17 0.15 -1.65 0.00 0.00 177.43 177.35 1w09 h PHE 47 N 0.35 0.66 -0.25 1.19 3.57 -0.57 -0.88 116.94 121.01 1w09 h PHE 47 Ca -0.04 -0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.31 1w09 h PHE 47 Cb 1.36 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.89 1w09 h PHE 47 CO 0.06 0.57 -0.24 1.88 -2.23 0.00 0.00 178.31 178.35 1w09 h TYR 48 N 0.56 0.72 0.16 0.41 0.05 -1.27 -1.08 116.97 116.52 1w09 h TYR 48 Ca 0.15 -0.22 0.02 0.00 0.05 0.00 0.00 58.73 58.73 1w09 h TYR 48 Cb 0.19 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 37.74 1w09 h TYR 48 CO 0.00 0.92 -0.32 0.82 -1.05 0.00 0.00 178.16 178.53 1w09 h ILE 49 N 0.31 0.31 -0.58 -2.88 1.08 -1.01 0.10 117.51 114.84 1w09 h ILE 49 Ca 0.04 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.48 1w09 h ILE 49 Cb 0.80 0.31 -0.03 0.00 -3.07 0.00 0.00 36.82 34.84 1w09 h ILE 49 CO 0.06 0.00 0.26 -1.13 -0.69 0.00 0.00 178.15 176.65 1w09 h ASN 50 N -0.57 0.75 -0.24 1.72 -1.24 -1.20 -1.55 115.58 113.23 1w09 h ASN 50 Ca 0.02 -0.08 0.03 0.00 0.71 0.00 0.00 56.30 56.98 1w09 h ASN 50 Cb 0.59 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 39.42 1w09 h ASN 50 CO -0.16 0.65 0.07 0.22 -1.29 0.00 0.00 177.43 176.92 1w09 h TYR 51 N 0.82 0.13 -0.00 0.67 5.03 -0.40 -2.92 116.97 120.30 1w09 h TYR 51 Ca 0.20 0.01 -0.17 0.00 2.58 0.00 0.00 58.73 61.36 1w09 h TYR 51 Cb 0.12 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.35 1w09 h TYR 51 CO 0.01 0.05 -0.79 1.88 -1.32 0.00 0.00 178.16 177.99 1w09 h TYR 52 N 0.18 0.04 0.00 -3.82 0.05 -0.49 -2.27 116.97 110.65 1w09 h TYR 52 Ca 0.11 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 1w09 h TYR 52 Cb 0.09 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.82 1w09 h TYR 52 CO -0.13 0.80 -0.11 0.00 -1.05 0.00 0.00 178.16 177.67 1w09 h ARG 53 N 0.02 0.00 0.00 4.88 3.08 -1.11 -2.24 114.38 119.01 1w09 h ARG 53 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1w09 h ARG 53 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.44 1w09 h ARG 53 CO 0.11 0.11 -1.35 1.04 -1.07 0.00 0.00 179.97 178.81 1w09 n GLN 54 N -4.12 0.37 -1.72 0.04 6.02 -1.13 -4.42 117.38 112.42 1w09 n GLN 54 Ca -0.02 -0.06 -0.36 0.00 -0.01 0.00 0.00 57.00 56.54 1w09 n GLN 54 Cb 0.19 -1.56 0.05 0.00 1.02 0.00 0.00 30.24 29.94 1w09 n GLN 54 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1w09 n GLN 55 N -2.01 2.83 -4.51 -1.09 1.13 -0.84 -4.98 117.38 107.91 1w09 n GLN 55 Ca 0.00 -3.54 -0.25 0.00 -1.94 0.00 0.00 57.00 51.28 1w09 n GLN 55 Cb 0.47 -2.28 -0.10 0.00 0.11 0.00 0.00 30.24 28.44 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 -4.98 2.21 0.25 5.09 1.01 -1.24 -4.94 120.40 117.82 1w09 s VAL 56 Ca 0.57 -2.24 0.01 0.00 0.00 0.00 0.00 61.98 60.32 1w09 s VAL 56 Cb 0.46 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 1w09 s VAL 56 CO -0.20 -0.27 0.13 -0.89 0.00 0.00 0.00 175.10 173.87 1w09 s THR 57 N -2.64 0.27 0.00 3.92 2.01 -1.26 -5.10 115.64 112.84 1w09 s THR 57 Ca 0.31 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.31 1w09 s THR 57 Cb 0.01 -2.55 0.00 0.00 0.01 0.00 0.00 72.50 69.97 1w09 s THR 57 CO 0.15 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.69 1w09 n GLY 58 N -0.43 -1.08 3.76 4.40 0.00 -1.26 -4.71 105.19 105.87 1w09 n GLY 58 Ca 0.01 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 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 2.46 0.51 1.61 0.41 -1.26 -4.94 118.70 117.49 1w09 s GLU 59 Ca 0.00 1.35 0.28 0.00 -0.41 0.00 0.00 54.97 56.19 1w09 s GLU 59 Cb 0.00 -1.91 1.31 0.00 -1.78 0.00 0.00 34.13 31.75 1w09 s GLU 59 CO 0.00 -1.51 1.99 -1.00 -0.49 0.00 0.00 175.26 174.25 1w09 h PRO 60 N -0.51 0.00 -0.41 0.39 0.13 -2.01 -3.10 132.00 126.50 1w09 h PRO 60 Ca -0.45 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 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 0.52 0.13 0.07 1.96 -0.23 0.00 0.00 178.00 180.46 1w09 h GLN 61 N 0.00 0.67 -0.52 0.86 4.20 -1.97 -2.07 115.11 116.28 1w09 h GLN 61 Ca -0.00 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.48 1w09 h GLN 61 Cb 0.49 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 1w09 h GLN 61 CO 0.02 0.71 0.13 1.05 -0.67 0.00 0.00 178.83 180.07 1w09 h GLU 62 N 0.53 0.83 -0.15 1.46 4.11 -1.90 -1.90 114.58 117.56 1w09 h GLU 62 Ca 0.12 -0.20 0.05 0.00 0.07 0.00 0.00 59.36 59.40 1w09 h GLU 62 Cb 0.36 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1w09 h GLU 62 CO 0.01 0.79 -0.18 0.00 0.07 0.00 0.00 179.01 179.70 1w09 h ARG 63 N 0.73 -0.21 -0.82 1.06 3.08 -1.53 -1.40 114.38 115.28 1w09 h ARG 63 Ca 0.16 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.29 1w09 h ARG 63 Cb 0.33 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.37 1w09 h ARG 63 CO 0.00 -0.14 0.50 0.22 -1.07 0.00 0.00 179.97 179.48 1w09 h ASP 64 N -0.22 0.78 -0.05 7.04 3.58 -1.14 -0.39 116.42 126.01 1w09 h ASP 64 Ca 0.10 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 1w09 h ASP 64 Cb 0.37 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 1w09 h ASP 64 CO -0.28 0.50 -0.03 0.11 -2.88 0.00 0.00 179.24 176.66 1w09 h LYS 65 N 0.91 0.23 -0.18 0.28 1.57 -0.57 0.12 116.57 118.93 1w09 h LYS 65 Ca 0.36 -0.04 -0.20 0.00 -1.87 0.00 0.00 60.65 58.91 1w09 h LYS 65 Cb 0.18 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.45 1w09 h LYS 65 CO -0.18 0.28 -0.66 0.00 -0.57 0.00 0.00 179.45 178.33 1w09 h ALA 66 N 1.75 0.32 -0.20 3.86 0.00 -0.14 -1.49 119.26 123.36 1w09 h ALA 66 Ca 0.05 -0.56 -0.15 0.00 0.00 0.00 0.00 54.91 54.26 1w09 h ALA 66 Cb 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1w09 h ALA 66 CO 0.01 0.61 -0.49 -0.07 0.00 0.00 0.00 179.25 179.31 1w09 h LEU 67 N 0.49 0.59 -0.05 0.00 4.07 -0.52 -1.10 115.31 118.80 1w09 h LEU 67 Ca -0.03 -0.29 -0.05 0.00 0.08 0.00 0.00 57.88 57.59 1w09 h LEU 67 Cb 1.28 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.86 1w09 h LEU 67 CO 0.14 0.98 -0.17 0.06 -1.08 0.00 0.00 178.44 178.37 1w09 h GLN 68 N 0.43 0.20 -0.58 1.13 3.07 -0.81 -2.10 115.11 116.44 1w09 h GLN 68 Ca 0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 58.65 58.59 1w09 h GLN 68 Cb 1.01 0.03 -0.03 0.00 0.08 0.00 0.00 27.48 28.57 1w09 h GLN 68 CO 0.09 0.78 0.27 0.93 0.09 0.00 0.00 178.83 180.99 1w09 h GLU 69 N -0.35 0.82 -0.11 0.06 5.08 -1.29 -2.01 114.58 116.78 1w09 h GLU 69 Ca -0.01 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1w09 h GLU 69 Cb 0.81 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1w09 h GLU 69 CO 0.04 0.65 0.03 1.25 -1.00 0.00 0.00 179.01 179.97 1w09 h LEU 70 N 0.82 0.17 -0.75 1.33 5.85 -1.19 0.52 115.31 122.06 1w09 h LEU 70 Ca 0.20 -0.24 0.10 0.00 0.84 0.00 0.00 57.88 58.78 1w09 h LEU 70 Cb 0.11 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 1w09 h LEU 70 CO -0.02 0.36 0.39 -0.09 -0.34 0.00 0.00 178.44 178.74 1w09 h ARG 71 N -0.03 0.63 -0.04 1.25 2.43 -0.96 0.40 114.38 118.07 1w09 h ARG 71 Ca 0.04 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 1w09 h ARG 71 Cb 0.26 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1w09 h ARG 71 CO 0.00 0.42 -0.65 1.96 -1.51 0.00 0.00 179.97 180.19 1w09 h GLN 72 N 0.65 0.15 -0.04 0.20 1.08 -1.19 -1.86 115.11 114.09 1w09 h GLN 72 Ca 0.37 -0.11 -0.00 0.00 -1.45 0.00 0.00 58.65 57.46 1w09 h GLN 72 Cb 0.39 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1w09 h GLN 72 CO -0.27 0.75 0.02 1.49 -0.95 0.00 0.00 178.83 179.87 1w09 h GLU 73 N 0.10 0.06 -0.27 1.46 4.57 0.30 -1.63 114.58 119.18 1w09 h GLU 73 Ca -0.01 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.09 1w09 h GLU 73 Cb 1.17 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.74 1w09 h GLU 73 CO 0.10 0.17 -0.10 -0.07 -1.18 0.00 0.00 179.01 177.93 1w09 h LEU 74 N -0.05 0.55 -1.04 1.64 3.38 -0.38 0.60 115.31 120.01 1w09 h LEU 74 Ca 0.02 -0.39 0.17 0.00 0.09 0.00 0.00 57.88 57.77 1w09 h LEU 74 Cb 0.12 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 40.62 1w09 h LEU 74 CO -0.00 0.81 0.62 -1.13 0.09 0.00 0.00 178.44 178.83 1w09 h ASN 75 N 0.29 0.81 0.00 -0.43 -1.24 -1.24 0.46 115.58 114.22 1w09 h ASN 75 Ca 0.06 0.08 -0.02 0.00 0.71 0.00 0.00 56.30 57.13 1w09 h ASN 75 Cb 0.59 -0.07 -0.00 0.00 0.73 0.00 0.00 38.32 39.56 1w09 h ASN 75 CO 0.03 0.34 -0.11 0.74 -1.29 0.00 0.00 177.43 177.14 1w09 h THR 76 N 0.82 1.60 -0.65 -3.57 2.02 -1.18 -3.22 112.91 108.73 1w09 h THR 76 Ca 0.55 -2.25 0.11 0.00 0.77 0.00 0.00 66.41 65.59 1w09 h THR 76 Cb 0.78 3.07 -0.04 0.00 -1.74 0.00 0.00 68.15 70.22 1w09 h THR 76 CO -0.33 0.54 0.44 -0.07 0.37 0.00 0.00 175.52 176.47 1w09 h LEU 77 N -1.00 0.39 -0.47 2.58 3.38 -0.44 -1.69 115.31 118.06 1w09 h LEU 77 Ca -0.03 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 1w09 h LEU 77 Cb 0.96 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1w09 h LEU 77 CO -0.02 0.23 -0.76 0.00 0.09 0.00 0.00 178.44 177.98 1w09 h ALA 78 N 1.68 0.72 -0.40 1.53 0.00 -0.22 -3.28 119.26 119.30 1w09 h ALA 78 Ca 0.31 -0.67 0.08 0.00 0.00 0.00 0.00 54.91 54.63 1w09 h ALA 78 Cb 0.62 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 1w09 h ALA 78 CO -0.09 0.91 -0.11 -0.91 0.00 0.00 0.00 179.25 179.04 1w09 h ASN 79 N 0.04 -0.41 -0.07 0.00 2.35 -1.31 -0.83 115.58 115.36 1w09 h ASN 79 Ca -0.02 0.13 -0.14 0.00 -0.55 0.00 0.00 56.30 55.72 1w09 h ASN 79 Cb 1.34 0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.96 1w09 h ASN 79 CO 0.10 -0.15 -0.41 1.55 -1.65 0.00 0.00 177.43 176.87 1w09 h PRO 80 N -0.02 0.59 0.33 0.81 0.13 -1.66 -2.93 132.00 129.26 1w09 h PRO 80 Ca 0.19 -0.31 -0.02 0.00 -0.87 0.00 0.00 66.00 65.00 1w09 h PRO 80 Cb 0.31 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.46 1w09 h PRO 80 CO -0.42 0.90 -0.16 0.35 -0.23 0.00 0.00 178.00 178.44 1w09 h PHE 81 N 0.49 -0.41 -0.60 1.56 3.57 -1.49 -1.82 116.94 118.24 1w09 h PHE 81 Ca 0.04 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.67 1w09 h PHE 81 Cb 0.93 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.77 1w09 h PHE 81 CO 0.04 -0.16 0.41 -0.07 -2.23 0.00 0.00 178.31 176.30 1w09 h LEU 82 N -0.59 0.18 -0.24 0.59 3.38 -1.22 -0.48 115.31 116.93 1w09 h LEU 82 Ca -0.05 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1w09 h LEU 82 Cb 0.43 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1w09 h LEU 82 CO 0.07 0.10 -0.15 0.00 0.09 0.00 0.00 178.44 178.55 1w09 h ALA 83 N 1.71 0.33 -0.72 1.53 0.00 -1.27 0.37 119.26 121.22 1w09 h ALA 83 Ca 0.29 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1w09 h ALA 83 Cb 0.87 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 1w09 h ALA 83 CO -0.05 0.22 0.42 0.87 0.00 0.00 0.00 179.25 180.72 1w09 h LYS 84 N 0.22 0.77 -0.04 0.00 1.57 -0.26 0.25 116.57 119.09 1w09 h LYS 84 Ca 0.05 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 1w09 h LYS 84 Cb 0.66 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 1w09 h LYS 84 CO 0.04 0.51 -0.76 -0.92 -0.57 0.00 0.00 179.45 177.75 1w09 h TYR 85 N 0.79 0.38 -0.40 -1.35 3.20 -1.28 -0.65 116.97 117.67 1w09 h TYR 85 Ca 0.31 -0.18 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 1w09 h TYR 85 Cb 0.14 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.33 1w09 h TYR 85 CO -0.06 0.93 0.24 0.00 -1.64 0.00 0.00 178.16 177.63 1w09 h ARG 86 N 0.18 0.55 -0.11 1.82 2.47 0.88 0.29 114.38 120.47 1w09 h ARG 86 Ca -0.03 -0.05 -0.12 0.00 -1.26 0.00 0.00 59.98 58.51 1w09 h ARG 86 Cb 1.34 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 29.53 1w09 h ARG 86 CO 0.12 0.42 -0.48 0.38 0.56 0.00 0.00 179.97 180.97 1w09 h ASP 87 N 0.53 0.30 0.41 7.04 3.04 -0.50 -1.65 116.42 125.59 1w09 h ASP 87 Ca 0.14 -0.14 -0.07 0.00 -3.24 0.00 0.00 57.03 53.72 1w09 h ASP 87 Cb 0.01 -0.09 -0.01 0.00 -1.04 0.00 0.00 39.33 38.21 1w09 h ASP 87 CO -0.03 0.74 -0.34 0.15 -2.04 0.00 0.00 179.24 177.73 1w09 h PHE 88 N 0.23 0.00 0.06 4.15 3.57 -0.32 -1.32 116.94 123.31 1w09 h PHE 88 Ca 0.01 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.34 1w09 h PHE 88 Cb 0.93 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.69 1w09 h PHE 88 CO 0.02 0.34 -0.72 -0.07 -2.23 0.00 0.00 178.31 175.65 1w09 h LEU 89 N 0.00 0.53 -1.48 0.59 -0.00 -0.03 -3.27 115.31 111.65 1w09 h LEU 89 Ca -0.00 -0.84 -0.01 0.00 -0.00 0.00 0.00 57.88 57.03 1w09 h LEU 89 Cb 0.63 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 41.10 1w09 h LEU 89 CO 0.04 1.31 0.21 0.11 -0.00 0.00 0.00 178.44 180.11 1w09 h LYS 90 N -0.18 0.56 0.00 1.13 1.79 -1.08 -1.88 116.57 116.90 1w09 h LYS 90 Ca -0.11 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1w09 h LYS 90 Cb 1.47 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 1w09 h LYS 90 CO 0.14 0.42 0.00 0.43 -1.08 0.00 0.00 179.45 179.36 1w09 n SER 91 N -4.42 0.35 -3.93 0.86 7.64 -0.52 -4.67 113.62 108.94 1w09 n SER 91 Ca 0.03 0.65 -0.30 0.00 1.01 0.00 0.00 58.87 60.27 1w09 n SER 91 Cb 0.11 -0.70 0.26 0.00 -1.01 0.00 0.00 64.21 62.87 1w09 n SER 91 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1w09 s HIS 92 N -3.32 0.40 0.25 1.43 3.76 -0.71 -5.05 115.29 112.05 1w09 s HIS 92 Ca -0.01 0.75 0.11 0.00 -0.15 0.00 0.00 55.06 55.77 1w09 s HIS 92 Cb 0.04 -3.10 -0.05 0.00 1.11 0.00 0.00 32.58 30.59 1w09 s HIS 92 CO 0.14 -4.29 -0.20 -2.00 -0.85 0.00 0.00 174.74 167.54 1w09 s GLU 93 N -4.96 1.60 0.00 1.40 2.56 -1.26 -5.11 118.70 112.94 1w09 s GLU 93 Ca 0.69 -1.70 0.00 0.00 0.00 0.00 0.00 54.97 53.96 1w09 s GLU 93 Cb -0.16 -1.71 0.00 0.00 2.00 0.00 0.00 34.13 34.26 1w09 s GLU 93 CO 0.59 0.33 0.00 1.47 -0.56 0.00 0.00 175.26 177.09