#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 -0.11 -2.36 2.23 -0.00 -2.02 0.20 115.31 113.25 1w09 h LEU 4 Ca 0.00 0.08 0.02 0.00 -0.00 0.00 0.00 57.88 57.99 1w09 h LEU 4 Cb 0.00 0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 40.80 1w09 h LEU 4 CO 0.00 -0.02 0.19 0.50 -0.00 0.00 0.00 178.44 179.12 1w09 h LYS 5 N 0.14 0.00 -0.44 1.13 3.64 -2.03 -0.63 116.57 118.38 1w09 h LYS 5 Ca 0.20 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1w09 h LYS 5 Cb 0.27 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1w09 h LYS 5 CO -0.30 0.00 0.15 0.00 -2.27 0.00 0.00 179.45 177.02 1w09 h ALA 6 N 1.69 0.58 0.64 5.00 0.00 -1.03 0.41 119.26 126.55 1w09 h ALA 6 Ca 0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1w09 h ALA 6 Cb 0.43 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1w09 h ALA 6 CO -0.00 0.22 -0.31 -0.91 0.00 0.00 0.00 179.25 178.25 1w09 h ASN 7 N 0.58 -0.73 -0.57 0.00 -0.26 -1.10 -1.62 115.58 111.88 1w09 h ASN 7 Ca 0.14 -0.02 0.07 0.00 -0.56 0.00 0.00 56.30 55.93 1w09 h ASN 7 Cb 0.25 0.19 -0.03 0.00 -1.06 0.00 0.00 38.32 37.67 1w09 h ASN 7 CO -0.01 -0.41 0.38 0.11 -1.06 0.00 0.00 177.43 176.44 1w09 h LYS 8 N -1.04 0.49 -0.51 0.81 6.56 -1.51 -1.05 116.57 120.32 1w09 h LYS 8 Ca -0.09 -0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.45 1w09 h LYS 8 Cb 0.70 -0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 32.23 1w09 h LYS 8 CO 0.14 0.33 0.25 -0.44 -2.06 0.00 0.00 179.45 177.67 1w09 h ASP 9 N 0.51 0.66 -0.65 0.86 3.32 0.02 0.17 116.42 121.31 1w09 h ASP 9 Ca 0.25 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1w09 h ASP 9 Cb 0.32 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.67 1w09 h ASP 9 CO -0.07 0.60 0.40 -0.07 -1.72 0.00 0.00 179.24 178.38 1w09 h LEU 10 N 0.67 0.77 0.42 1.55 -0.00 -0.22 -1.10 115.31 117.40 1w09 h LEU 10 Ca 0.17 -0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 57.98 1w09 h LEU 10 Cb 0.11 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.58 1w09 h LEU 10 CO -0.02 0.59 -0.20 0.40 -0.00 0.00 0.00 178.44 179.21 1w09 h ILE 11 N 0.88 0.59 -0.93 1.22 1.08 -0.84 -1.78 117.51 117.73 1w09 h ILE 11 Ca 0.23 -0.18 0.24 0.00 -0.39 0.00 0.00 64.86 64.77 1w09 h ILE 11 Cb -0.05 0.68 -0.06 0.00 -3.07 0.00 0.00 36.82 34.32 1w09 h ILE 11 CO -0.05 0.03 0.64 -1.28 -0.69 0.00 0.00 178.15 176.81 1w09 h SER 12 N -0.67 0.23 -0.24 1.72 0.87 -0.43 0.60 113.55 115.63 1w09 h SER 12 Ca -0.06 0.03 -0.15 0.00 -1.23 0.00 0.00 61.79 60.39 1w09 h SER 12 Cb 0.49 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1w09 h SER 12 CO 0.09 0.08 -0.42 0.00 -0.53 0.00 0.00 176.83 176.05 1w09 h ALA 13 N 1.58 0.38 0.00 6.23 0.00 -0.75 0.33 119.26 127.02 1w09 h ALA 13 Ca 0.47 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1w09 h ALA 13 Cb 1.49 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1w09 h ALA 13 CO -0.12 0.49 -0.47 0.78 0.00 0.00 0.00 179.25 179.94 1w09 h GLY 14 N 0.43 0.00 0.43 0.00 0.00 0.11 0.26 103.07 104.30 1w09 h GLY 14 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 1w09 h GLY 14 CO 0.10 0.00 -0.21 1.41 0.00 0.00 0.00 176.54 177.84 1w09 h LEU 15 N 0.00 -0.49 -1.91 3.11 -0.00 0.25 -1.56 115.31 114.71 1w09 h LEU 15 Ca -0.00 0.02 0.08 0.00 -0.00 0.00 0.00 57.88 57.97 1w09 h LEU 15 Cb 0.91 0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 41.68 1w09 h LEU 15 CO 0.06 -0.12 0.24 0.07 -0.00 0.00 0.00 178.44 178.70 1w09 h LYS 16 N -1.04 0.10 -0.19 1.13 5.09 -0.35 0.40 116.57 121.72 1w09 h LYS 16 Ca -0.06 -0.01 -0.05 0.00 0.09 0.00 0.00 60.65 60.62 1w09 h LYS 16 Cb 0.44 -0.02 -0.01 0.00 0.10 0.00 0.00 32.23 32.74 1w09 h LYS 16 CO 0.10 0.07 -0.09 0.93 -2.09 0.00 0.00 179.45 178.37 1w09 h GLU 17 N 0.11 0.39 -0.03 0.07 4.39 -0.94 -1.58 114.58 116.98 1w09 h GLU 17 Ca 0.16 -0.17 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 1w09 h GLU 17 Cb 0.50 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1w09 h GLU 17 CO -0.02 0.69 -0.22 0.35 -1.16 0.00 0.00 179.01 178.65 1w09 h PHE 18 N 0.09 0.28 -0.11 4.33 3.57 -0.24 -0.44 116.94 124.42 1w09 h PHE 18 Ca 0.04 -0.13 0.04 0.00 3.53 0.00 0.00 57.97 61.45 1w09 h PHE 18 Cb 0.56 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.22 1w09 h PHE 18 CO 0.06 0.86 -0.12 0.77 -2.23 0.00 0.00 178.31 177.65 1w09 h SER 19 N -0.37 -0.38 -0.30 0.41 0.02 -0.32 0.38 113.55 112.99 1w09 h SER 19 Ca -0.02 0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.91 1w09 h SER 19 Cb 0.89 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 1w09 h SER 19 CO 0.04 -0.16 -0.12 0.58 -1.14 0.00 0.00 176.83 176.03 1w09 h VAL 20 N -0.15 1.25 -0.40 2.27 2.07 -1.38 -1.50 116.25 118.42 1w09 h VAL 20 Ca 0.08 -1.16 0.01 0.00 0.82 0.00 0.00 66.70 66.46 1w09 h VAL 20 Cb 0.27 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1w09 h VAL 20 CO -0.20 0.39 0.25 0.25 0.02 0.00 0.00 177.57 178.28 1w09 h LEU 21 N 0.66 0.42 -0.65 2.57 5.85 -0.22 1.47 115.31 125.41 1w09 h LEU 21 Ca 0.11 -0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.69 1w09 h LEU 21 Cb 0.58 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1w09 h LEU 21 CO 0.04 0.30 -0.50 -0.07 -0.34 0.00 0.00 178.44 177.88 1w09 h LEU 22 N 0.51 0.49 0.00 2.25 3.38 -0.83 0.48 115.31 121.60 1w09 h LEU 22 Ca 0.15 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1w09 h LEU 22 Cb -0.03 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1w09 h LEU 22 CO -0.05 0.91 -0.25 0.78 0.09 0.00 0.00 178.44 179.92 1w09 h ASN 23 N 0.36 0.00 -0.09 -0.43 2.35 -0.79 -3.32 115.58 113.66 1w09 h ASN 23 Ca 0.02 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1w09 h ASN 23 Cb 1.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.37 1w09 h ASN 23 CO 0.09 0.01 0.00 0.00 -1.65 0.00 0.00 177.43 175.88 1w09 n GLN 24 N -2.75 2.68 -0.77 0.81 3.00 0.50 -5.04 117.38 115.80 1w09 n GLN 24 Ca 0.03 -1.89 -0.33 0.00 -0.01 0.00 0.00 57.00 54.80 1w09 n GLN 24 Cb 0.50 -1.20 0.13 0.00 0.00 0.00 0.00 30.24 29.68 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 -0.45 -0.65 -4.74 -1.09 1.13 0.15 -4.96 117.38 106.77 1w09 n GLN 25 Ca 0.07 -0.16 -0.33 0.00 -1.94 0.00 0.00 57.00 54.64 1w09 n GLN 25 Cb 0.40 -1.76 -0.13 0.00 0.11 0.00 0.00 30.24 28.86 1w09 n GLN 25 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1w09 s VAL 26 N -2.33 3.32 -0.52 5.09 1.01 -1.26 -5.07 120.40 120.64 1w09 s VAL 26 Ca 0.55 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 1w09 s VAL 26 Cb -0.18 -2.36 0.14 0.00 0.00 0.00 0.00 36.38 33.98 1w09 s VAL 26 CO 0.68 0.57 0.34 -0.36 0.00 0.00 0.00 175.10 176.32 1w09 s PHE 27 N -0.37 3.49 0.06 5.22 0.40 -1.26 -5.05 117.98 120.48 1w09 s PHE 27 Ca 0.04 -2.52 0.01 0.00 -0.60 0.00 0.00 56.93 53.86 1w09 s PHE 27 Cb -0.12 -3.24 -0.04 0.00 0.51 0.00 0.00 43.02 40.13 1w09 s PHE 27 CO 0.02 -0.91 -0.05 -0.80 0.70 0.00 0.00 175.22 174.18 1w09 s ASN 28 N 1.34 0.76 0.01 1.36 0.01 -1.26 -5.14 114.94 112.03 1w09 s ASN 28 Ca 0.12 -0.88 -0.01 0.00 -0.71 0.00 0.00 52.86 51.38 1w09 s ASN 28 Cb -0.22 0.13 -0.04 0.00 0.41 0.00 0.00 41.25 41.53 1w09 s ASN 28 CO -0.04 -0.46 0.16 1.51 -1.51 0.00 0.00 177.10 176.76 1w09 s ASP 29 N -2.61 6.16 0.43 -1.22 1.47 -1.26 -3.49 116.67 116.16 1w09 s ASP 29 Ca 0.04 0.26 -0.25 0.00 1.18 0.00 0.00 52.55 53.78 1w09 s ASP 29 Cb 0.02 -1.88 -0.09 0.00 -0.34 0.00 0.00 42.92 40.63 1w09 s ASP 29 CO -0.06 0.24 1.34 -0.81 0.68 0.00 0.00 175.17 176.57 1w09 n PRO 30 N 0.83 2.08 -2.83 2.11 -0.04 -1.26 -5.12 135.00 130.77 1w09 n PRO 30 Ca -0.10 0.74 -0.41 0.00 -0.04 0.00 0.00 63.50 63.69 1w09 n PRO 30 Cb 0.52 -2.49 -0.04 0.00 -0.04 0.00 0.00 33.50 31.45 1w09 n PRO 30 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1w09 s LEU 31 N -2.11 4.41 0.36 1.53 1.43 -1.23 -5.03 118.68 118.04 1w09 s LEU 31 Ca 0.61 1.56 -0.26 0.00 -1.03 0.00 0.00 54.13 55.01 1w09 s LEU 31 Cb -0.48 -3.41 -0.09 0.00 0.03 0.00 0.00 46.19 42.23 1w09 s LEU 31 CO 0.58 -0.13 1.07 0.54 0.23 0.00 0.00 176.35 178.64 1w09 s VAL 32 N 0.49 3.63 0.86 -1.59 0.11 -1.26 -5.04 120.40 117.60 1w09 s VAL 32 Ca 0.45 1.38 -0.13 0.00 -2.93 0.00 0.00 61.98 60.74 1w09 s VAL 32 Cb -0.21 -3.77 0.12 0.00 -1.53 0.00 0.00 36.38 30.99 1w09 s VAL 32 CO 0.26 0.13 1.23 -0.94 -3.33 0.00 0.00 175.10 172.45 1w09 s SER 33 N -1.32 4.01 0.31 3.54 1.04 -1.26 -4.90 113.70 115.11 1w09 s SER 33 Ca 0.53 0.60 0.12 0.00 0.48 0.00 0.00 55.95 57.68 1w09 s SER 33 Cb -0.26 -0.94 0.48 0.00 0.10 0.00 0.00 66.02 65.41 1w09 s SER 33 CO 0.32 -2.20 1.68 1.05 0.98 0.00 0.00 173.24 175.07 1w09 h GLU 34 N -1.27 0.00 -0.39 4.02 -0.00 -1.96 -1.82 114.58 113.16 1w09 h GLU 34 Ca -0.45 0.00 -0.13 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 30.03 1w09 h GLU 34 CO 0.56 0.54 -0.27 0.93 -0.00 0.00 0.00 179.01 180.76 1w09 h GLU 35 N 0.00 0.83 -0.18 1.06 4.39 -1.99 0.27 114.58 118.96 1w09 h GLU 35 Ca -0.01 -0.37 -0.17 0.00 0.34 0.00 0.00 59.36 59.15 1w09 h GLU 35 Cb 0.97 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1w09 h GLU 35 CO 0.07 1.00 -0.60 0.22 -1.16 0.00 0.00 179.01 178.54 1w09 h ASP 36 N 0.71 0.68 -0.24 1.42 1.82 -1.91 -2.10 116.42 116.80 1w09 h ASP 36 Ca 0.09 -0.39 -0.05 0.00 -0.39 0.00 0.00 57.03 56.29 1w09 h ASP 36 Cb 0.81 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.62 1w09 h ASP 36 CO 0.07 1.12 -0.04 -0.03 -1.61 0.00 0.00 179.24 178.75 1w09 h MET 37 N 0.45 0.45 -0.49 0.28 4.05 -1.09 -1.84 114.93 116.74 1w09 h MET 37 Ca -0.00 -0.16 0.06 0.00 -0.28 0.00 0.00 59.70 59.31 1w09 h MET 37 Cb 1.17 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.89 1w09 h MET 37 CO 0.12 0.67 0.19 0.28 0.23 0.00 0.00 176.91 178.39 1w09 h VAL 38 N 0.20 0.86 -0.40 -5.77 2.07 -0.41 0.11 116.25 112.91 1w09 h VAL 38 Ca 0.06 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.47 1w09 h VAL 38 Cb 0.49 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 1w09 h VAL 38 CO 0.02 0.07 0.24 0.71 0.02 0.00 0.00 177.57 178.63 1w09 h THR 39 N 0.37 1.06 -0.63 2.57 1.35 -1.26 0.24 112.91 116.61 1w09 h THR 39 Ca 0.23 -0.17 0.03 0.00 -0.55 0.00 0.00 66.41 65.95 1w09 h THR 39 Cb 0.22 0.53 -0.04 0.00 -1.73 0.00 0.00 68.15 67.12 1w09 h THR 39 CO -0.22 0.09 0.38 0.58 -0.25 0.00 0.00 175.52 176.10 1w09 h VAL 40 N 0.49 1.06 -0.10 6.82 2.07 -0.47 0.52 116.25 126.64 1w09 h VAL 40 Ca 0.15 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1w09 h VAL 40 Cb -0.01 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1w09 h VAL 40 CO -0.06 0.14 0.01 0.58 0.02 0.00 0.00 177.57 178.26 1w09 h VAL 41 N 0.75 1.23 -0.49 2.57 2.07 -0.29 0.13 116.25 122.21 1w09 h VAL 41 Ca 0.26 -0.71 0.06 0.00 0.82 0.00 0.00 66.70 67.13 1w09 h VAL 41 Cb 0.04 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 1w09 h VAL 41 CO -0.11 0.20 0.19 -0.33 0.02 0.00 0.00 177.57 177.54 1w09 h GLU 42 N -0.07 0.36 -0.66 1.57 5.08 -0.20 0.14 114.58 120.79 1w09 h GLU 42 Ca 0.03 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1w09 h GLU 42 Cb 0.31 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1w09 h GLU 42 CO 0.00 0.24 0.16 0.22 -1.00 0.00 0.00 179.01 178.64 1w09 h ASP 43 N 0.37 1.00 -0.58 1.42 3.58 -0.81 -1.91 116.42 119.49 1w09 h ASP 43 Ca 0.23 -0.23 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1w09 h ASP 43 Cb 0.23 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.99 1w09 h ASP 43 CO -0.23 0.97 0.35 -0.50 -2.88 0.00 0.00 179.24 176.95 1w09 h TRP 44 N 0.98 0.76 -0.06 0.28 6.55 -0.03 0.23 115.95 124.65 1w09 h TRP 44 Ca 0.21 -0.00 -0.01 0.00 0.95 0.00 0.00 58.89 60.03 1w09 h TRP 44 Cb 0.36 -0.25 -0.00 0.00 -0.86 0.00 0.00 29.16 28.41 1w09 h TRP 44 CO 0.03 0.52 -0.01 0.52 -1.05 0.00 0.00 178.44 178.44 1w09 h MET 45 N 0.78 0.12 0.00 0.49 2.86 -0.56 -1.90 114.93 116.71 1w09 h MET 45 Ca 0.21 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.71 1w09 h MET 45 Cb -0.02 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1w09 h MET 45 CO -0.04 0.43 -0.45 -0.91 1.06 0.00 0.00 176.91 177.00 1w09 h ASN 46 N -0.21 0.00 -0.17 1.22 2.35 -1.32 -1.86 115.58 115.60 1w09 h ASN 46 Ca 0.02 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1w09 h ASN 46 Cb 0.38 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1w09 h ASN 46 CO 0.00 0.45 0.09 0.15 -1.65 0.00 0.00 177.43 176.48 1w09 h PHE 47 N 0.00 0.23 -0.23 1.19 3.57 -0.40 -1.41 116.94 119.90 1w09 h PHE 47 Ca -0.00 -0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.30 1w09 h PHE 47 Cb 0.90 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.57 1w09 h PHE 47 CO 0.00 0.23 -0.59 1.88 -2.23 0.00 0.00 178.31 177.60 1w09 h TYR 48 N 0.16 0.94 0.34 0.41 0.05 -1.22 -1.16 116.97 116.50 1w09 h TYR 48 Ca 0.06 -0.35 -0.00 0.00 0.05 0.00 0.00 58.73 58.48 1w09 h TYR 48 Cb 0.08 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.63 1w09 h TYR 48 CO -0.04 1.15 -0.28 0.82 -1.05 0.00 0.00 178.16 178.76 1w09 h ILE 49 N 0.56 0.41 -0.53 -2.88 1.08 -1.18 0.61 117.51 115.57 1w09 h ILE 49 Ca 0.00 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.35 1w09 h ILE 49 Cb 1.18 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 35.32 1w09 h ILE 49 CO 0.12 0.00 -0.13 0.78 -0.69 0.00 0.00 178.15 178.23 1w09 h ASN 50 N -0.64 1.02 -0.76 1.72 2.35 -1.33 -1.71 115.58 116.23 1w09 h ASN 50 Ca -0.02 -0.35 -0.01 0.00 -0.55 0.00 0.00 56.30 55.37 1w09 h ASN 50 Cb 0.56 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.62 1w09 h ASN 50 CO -0.02 1.14 0.44 0.22 -1.65 0.00 0.00 177.43 177.56 1w09 h TYR 51 N 0.90 1.03 0.01 1.19 3.20 -0.99 -2.94 116.97 119.37 1w09 h TYR 51 Ca 0.14 -0.01 -0.24 0.00 3.14 0.00 0.00 58.73 61.76 1w09 h TYR 51 Cb 0.70 -0.34 0.01 0.00 1.54 0.00 0.00 36.73 38.64 1w09 h TYR 51 CO 0.05 0.70 -0.98 1.88 -1.64 0.00 0.00 178.16 178.16 1w09 h TYR 52 N 1.07 0.71 -0.00 -3.82 -1.99 0.47 -3.11 116.97 110.30 1w09 h TYR 52 Ca 0.28 -0.39 0.00 0.00 2.00 0.00 0.00 58.73 60.61 1w09 h TYR 52 Cb -0.01 -0.08 -0.00 0.00 2.00 0.00 0.00 36.73 38.64 1w09 h TYR 52 CO 0.01 1.22 0.00 -0.09 -0.00 0.00 0.00 178.16 179.30 1w09 h ARG 53 N 0.26 0.00 0.00 4.88 2.43 -1.13 -1.43 114.38 119.39 1w09 h ARG 53 Ca -0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1w09 h ARG 53 Cb 1.63 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.18 1w09 h ARG 53 CO 0.18 0.00 -0.93 0.94 -1.51 0.00 0.00 179.97 178.64 1w09 n GLN 54 N -4.03 0.22 -0.06 0.20 7.27 -1.20 -4.21 117.38 115.57 1w09 n GLN 54 Ca -0.03 0.00 0.10 0.00 0.07 0.00 0.00 57.00 57.14 1w09 n GLN 54 Cb 0.09 -1.57 0.12 0.00 2.41 0.00 0.00 30.24 31.28 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 -1.86 2.00 -2.25 3.69 1.13 -0.57 -4.99 117.38 114.53 1w09 n GLN 55 Ca 0.03 -1.86 -0.26 0.00 -1.94 0.00 0.00 57.00 52.97 1w09 n GLN 55 Cb 0.41 -1.41 0.06 0.00 0.11 0.00 0.00 30.24 29.41 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 -1.56 2.56 0.23 5.09 1.01 -1.01 -4.97 120.40 121.76 1w09 s VAL 56 Ca 0.27 -0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 1w09 s VAL 56 Cb 0.18 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 1w09 s VAL 56 CO 0.26 -0.09 0.23 0.42 0.00 0.00 0.00 175.10 175.91 1w09 s THR 57 N -3.18 0.00 0.00 3.92 -4.23 -1.26 -5.09 115.64 105.80 1w09 s THR 57 Ca 0.59 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1w09 s THR 57 Cb -0.11 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.28 1w09 s THR 57 CO 0.45 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.14 1w09 n GLY 58 N -0.34 -0.76 3.77 3.99 0.00 -1.26 -4.62 105.19 105.97 1w09 n GLY 58 Ca 0.02 -1.45 -0.38 0.00 0.00 0.00 0.00 46.02 44.21 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 4.15 0.60 1.61 8.01 -1.26 -4.92 118.70 126.88 1w09 s GLU 59 Ca 0.00 1.72 0.31 0.00 0.01 0.00 0.00 54.97 57.01 1w09 s GLU 59 Cb 0.00 -2.68 1.86 0.00 -4.31 0.00 0.00 34.13 29.00 1w09 s GLU 59 CO 0.00 -0.21 2.23 -1.00 0.01 0.00 0.00 175.26 176.29 1w09 h PRO 60 N 2.70 0.00 -0.31 0.39 0.13 -2.00 -1.59 132.00 131.32 1w09 h PRO 60 Ca -0.48 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.49 1w09 h PRO 60 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1w09 h PRO 60 CO 0.63 0.00 -0.43 -0.56 -0.23 0.00 0.00 178.00 177.41 1w09 h GLN 61 N 0.00 0.78 -0.14 0.86 -0.00 -1.98 -1.39 115.11 113.24 1w09 h GLN 61 Ca 0.02 -0.43 -0.04 0.00 -0.00 0.00 0.00 58.65 58.20 1w09 h GLN 61 Cb 0.13 0.02 -0.00 0.00 -0.00 0.00 0.00 27.48 27.62 1w09 h GLN 61 CO -0.00 1.06 -0.08 0.93 -0.00 0.00 0.00 178.83 180.74 1w09 h GLU 62 N 0.63 0.30 0.06 0.06 5.08 -1.66 -1.35 114.58 117.69 1w09 h GLU 62 Ca 0.04 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1w09 h GLU 62 Cb 1.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1w09 h GLU 62 CO 0.10 0.64 -0.03 0.07 -1.00 0.00 0.00 179.01 178.79 1w09 h ARG 63 N -0.05 -0.08 -0.86 2.33 -0.00 -1.54 -1.63 114.38 112.55 1w09 h ARG 63 Ca 0.03 0.01 0.11 0.00 -0.00 0.00 0.00 59.98 60.13 1w09 h ARG 63 Cb 0.56 0.02 -0.06 0.00 -0.00 0.00 0.00 29.97 30.48 1w09 h ARG 63 CO 0.02 0.11 0.56 -0.44 -0.00 0.00 0.00 179.97 180.22 1w09 h ASP 64 N -0.25 0.71 0.01 0.08 3.32 -1.29 0.20 116.42 119.20 1w09 h ASP 64 Ca -0.01 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1w09 h ASP 64 Cb 0.22 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1w09 h ASP 64 CO 0.01 0.40 -0.00 0.50 -1.72 0.00 0.00 179.24 178.43 1w09 h LYS 65 N 0.78 -0.01 -0.53 3.56 3.64 -0.95 -0.21 116.57 122.85 1w09 h LYS 65 Ca 0.41 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.81 1w09 h LYS 65 Cb 0.52 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 1w09 h LYS 65 CO -0.18 0.37 0.35 0.00 -2.27 0.00 0.00 179.45 177.72 1w09 h ALA 66 N 0.59 1.67 -0.39 5.00 0.00 -0.67 0.25 119.26 125.71 1w09 h ALA 66 Ca -0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1w09 h ALA 66 Cb 0.39 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1w09 h ALA 66 CO 0.00 0.29 -0.33 -0.07 0.00 0.00 0.00 179.25 179.14 1w09 h LEU 67 N 0.67 0.97 -0.20 0.00 3.38 -0.47 0.71 115.31 120.37 1w09 h LEU 67 Ca 0.20 -0.45 -0.17 0.00 0.09 0.00 0.00 57.88 57.55 1w09 h LEU 67 Cb -0.01 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1w09 h LEU 67 CO -0.05 1.22 -0.53 0.06 0.09 0.00 0.00 178.44 179.23 1w09 h GLN 68 N 0.73 0.72 -0.44 1.13 3.07 -0.25 -1.72 115.11 118.34 1w09 h GLN 68 Ca 0.07 -0.50 -0.10 0.00 0.09 0.00 0.00 58.65 58.21 1w09 h GLN 68 Cb 0.92 0.08 -0.02 0.00 0.08 0.00 0.00 27.48 28.54 1w09 h GLN 68 CO 0.09 1.12 -0.13 0.93 0.09 0.00 0.00 178.83 180.93 1w09 h GLU 69 N 0.43 0.82 -0.31 0.06 5.08 -0.50 -1.89 114.58 118.27 1w09 h GLU 69 Ca -0.01 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.00 1w09 h GLU 69 Cb 1.15 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1w09 h GLU 69 CO 0.12 0.90 -0.05 1.37 -1.00 0.00 0.00 179.01 180.35 1w09 h LEU 70 N 0.73 0.58 -0.32 1.33 8.10 -0.83 0.12 115.31 125.03 1w09 h LEU 70 Ca 0.12 -0.35 0.05 0.00 0.11 0.00 0.00 57.88 57.82 1w09 h LEU 70 Cb 0.63 -0.16 -0.05 0.00 -0.44 0.00 0.00 40.66 40.64 1w09 h LEU 70 CO 0.04 0.79 0.01 -0.09 -4.11 0.00 0.00 178.44 175.08 1w09 h ARG 71 N 0.36 0.10 -0.15 0.17 9.65 -1.11 0.24 114.38 123.64 1w09 h ARG 71 Ca 0.08 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.92 1w09 h ARG 71 Cb 0.52 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.07 1w09 h ARG 71 CO 0.03 0.07 -0.08 -0.56 2.80 0.00 0.00 179.97 182.22 1w09 h GLN 72 N 0.10 0.22 -0.58 0.20 3.07 -1.23 -1.02 115.11 115.87 1w09 h GLN 72 Ca 0.15 -0.04 -0.04 0.00 0.09 0.00 0.00 58.65 58.81 1w09 h GLN 72 Cb 0.20 -0.04 -0.02 0.00 0.08 0.00 0.00 27.48 27.70 1w09 h GLN 72 CO -0.25 0.31 0.19 1.49 0.09 0.00 0.00 178.83 180.67 1w09 h GLU 73 N 0.21 0.89 -0.23 0.06 4.57 0.14 -1.36 114.58 118.86 1w09 h GLU 73 Ca 0.05 -0.18 -0.06 0.00 -1.18 0.00 0.00 59.36 57.98 1w09 h GLU 73 Cb 0.28 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1w09 h GLU 73 CO 0.01 0.79 -0.09 -0.07 -1.18 0.00 0.00 179.01 178.48 1w09 h LEU 74 N 0.81 0.48 -1.29 1.64 3.38 -0.00 -0.35 115.31 119.98 1w09 h LEU 74 Ca 0.19 -0.39 0.13 0.00 0.09 0.00 0.00 57.88 57.89 1w09 h LEU 74 Cb 0.26 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 1w09 h LEU 74 CO -0.01 0.77 0.56 -1.13 0.09 0.00 0.00 178.44 178.72 1w09 h ASN 75 N 0.19 0.67 0.76 -0.43 -1.24 -1.01 0.64 115.58 115.17 1w09 h ASN 75 Ca 0.05 0.03 -0.25 0.00 0.71 0.00 0.00 56.30 56.85 1w09 h ASN 75 Cb 0.58 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.51 1w09 h ASN 75 CO 0.03 0.36 -1.19 0.00 -1.29 0.00 0.00 177.43 175.34 1w09 h THR 76 N 0.72 1.53 0.00 -3.57 1.03 -1.12 -3.20 112.91 108.30 1w09 h THR 76 Ca 0.43 -3.17 -0.15 0.00 -0.01 0.00 0.00 66.41 63.50 1w09 h THR 76 Cb 0.62 2.87 -0.02 0.00 -1.07 0.00 0.00 68.15 70.55 1w09 h THR 76 CO -0.19 0.90 -0.73 -0.07 -0.01 0.00 0.00 175.52 175.43 1w09 h LEU 77 N 0.04 0.00 -0.39 0.00 3.38 0.44 -3.25 115.31 115.53 1w09 h LEU 77 Ca -0.10 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.69 1w09 h LEU 77 Cb 1.90 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.63 1w09 h LEU 77 CO 0.16 0.73 -0.80 0.00 0.09 0.00 0.00 178.44 178.62 1w09 h ALA 78 N 1.27 0.63 -0.38 1.53 0.00 0.14 -3.24 119.26 119.22 1w09 h ALA 78 Ca -0.01 -0.69 0.08 0.00 0.00 0.00 0.00 54.91 54.29 1w09 h ALA 78 Cb 1.31 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1w09 h ALA 78 CO 0.09 0.89 -0.11 -0.91 0.00 0.00 0.00 179.25 179.22 1w09 h ASN 79 N 0.09 -0.39 0.06 0.00 -0.26 -1.58 0.13 115.58 113.63 1w09 h ASN 79 Ca -0.03 0.12 -0.13 0.00 -0.56 0.00 0.00 56.30 55.70 1w09 h ASN 79 Cb 1.40 0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 38.90 1w09 h ASN 79 CO 0.12 -0.14 -0.45 1.55 -1.06 0.00 0.00 177.43 177.45 1w09 h PRO 80 N -0.02 0.47 0.27 0.81 0.13 -1.72 -2.21 132.00 129.73 1w09 h PRO 80 Ca 0.18 -0.25 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 1w09 h PRO 80 Cb 0.30 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.44 1w09 h PRO 80 CO -0.40 0.83 -0.13 0.35 -0.23 0.00 0.00 178.00 178.41 1w09 h PHE 81 N 0.38 -0.34 -0.10 1.56 3.57 -1.43 -1.71 116.94 118.88 1w09 h PHE 81 Ca 0.03 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.55 1w09 h PHE 81 Cb 0.94 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.79 1w09 h PHE 81 CO 0.03 -0.04 0.08 -0.07 -2.23 0.00 0.00 178.31 176.08 1w09 h LEU 82 N -0.63 0.00 -0.34 0.59 3.38 -0.80 -0.90 115.31 116.60 1w09 h LEU 82 Ca -0.04 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 1w09 h LEU 82 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1w09 h LEU 82 CO 0.06 0.00 -0.33 0.00 0.09 0.00 0.00 178.44 178.26 1w09 h ALA 83 N 1.93 0.50 -0.50 1.53 0.00 -1.05 0.24 119.26 121.92 1w09 h ALA 83 Ca 0.05 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1w09 h ALA 83 Cb 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1w09 h ALA 83 CO -0.00 0.56 0.06 0.87 0.00 0.00 0.00 179.25 180.74 1w09 h LYS 84 N 0.61 0.84 -0.06 0.00 1.79 -0.27 -1.32 116.57 118.15 1w09 h LYS 84 Ca 0.06 -0.24 -0.23 0.00 -2.18 0.00 0.00 60.65 58.06 1w09 h LYS 84 Cb 0.91 -0.09 0.01 0.00 -1.58 0.00 0.00 32.23 31.48 1w09 h LYS 84 CO 0.08 0.84 -0.87 -0.92 -1.08 0.00 0.00 179.45 177.51 1w09 h TYR 85 N 0.71 0.85 -0.49 -1.35 3.20 -1.29 -0.74 116.97 117.85 1w09 h TYR 85 Ca 0.15 -0.42 -0.08 0.00 3.14 0.00 0.00 58.73 61.53 1w09 h TYR 85 Cb 0.43 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 1w09 h TYR 85 CO 0.03 1.23 -0.00 0.07 -1.64 0.00 0.00 178.16 177.85 1w09 h ARG 86 N 0.38 0.82 -0.11 1.82 0.11 -0.47 0.54 114.38 117.47 1w09 h ARG 86 Ca -0.07 -0.23 -0.17 0.00 0.10 0.00 0.00 59.98 59.61 1w09 h ARG 86 Cb 1.50 -0.09 -0.01 0.00 1.11 0.00 0.00 29.97 32.48 1w09 h ARG 86 CO 0.16 0.83 -0.65 -0.44 0.10 0.00 0.00 179.97 179.97 1w09 h ASP 87 N 0.76 0.48 0.71 0.08 5.19 -1.23 -1.85 116.42 120.56 1w09 h ASP 87 Ca 0.15 -0.29 -0.10 0.00 -0.62 0.00 0.00 57.03 56.16 1w09 h ASP 87 Cb 0.46 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 1w09 h ASP 87 CO 0.02 1.00 -0.50 0.15 -3.12 0.00 0.00 179.24 176.79 1w09 h PHE 88 N 0.30 0.00 -0.02 4.55 3.57 -0.50 0.48 116.94 125.31 1w09 h PHE 88 Ca -0.01 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.38 1w09 h PHE 88 Cb 1.20 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.95 1w09 h PHE 88 CO 0.04 0.50 -0.40 -0.07 -2.23 0.00 0.00 178.31 176.15 1w09 h LEU 89 N 0.00 0.39 -0.22 0.59 -0.00 0.26 -1.84 115.31 114.49 1w09 h LEU 89 Ca -0.00 -0.73 -0.21 0.00 -0.00 0.00 0.00 57.88 56.93 1w09 h LEU 89 Cb 0.99 -0.12 -0.00 0.00 -0.00 0.00 0.00 40.66 41.52 1w09 h LEU 89 CO 0.06 1.07 -0.91 0.50 -0.00 0.00 0.00 178.44 179.16 1w09 h LYS 90 N -0.25 0.32 0.00 1.13 3.64 -1.29 -3.27 116.57 116.85 1w09 h LYS 90 Ca -0.04 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1w09 h LYS 90 Cb 1.11 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1w09 h LYS 90 CO 0.08 1.04 -0.21 0.77 -2.27 0.00 0.00 179.45 178.86 1w09 h SER 91 N 0.18 0.00 -3.40 4.20 0.02 -0.12 -3.45 113.55 110.98 1w09 h SER 91 Ca -0.06 -0.04 -0.58 0.00 -0.84 0.00 0.00 61.79 60.26 1w09 h SER 91 Cb 1.54 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 64.00 1w09 h SER 91 CO 0.15 0.02 0.03 -1.38 -1.14 0.00 0.00 176.83 174.51 1w09 s HIS 92 N -3.17 3.44 -0.80 3.45 -3.43 -0.69 -4.94 115.29 109.15 1w09 s HIS 92 Ca 0.08 0.94 -0.18 0.00 -0.80 0.00 0.00 55.06 55.10 1w09 s HIS 92 Cb 0.10 -2.72 -0.20 0.00 -1.43 0.00 0.00 32.58 28.33 1w09 s HIS 92 CO 0.66 -0.04 2.09 0.39 -2.00 0.00 0.00 174.74 175.84 1w09 n GLU 93 N 4.49 0.24 0.00 -0.38 -0.58 -1.26 -4.91 120.64 118.23 1w09 n GLU 93 Ca -0.03 -0.67 0.00 0.00 -0.42 0.00 0.00 57.16 56.04 1w09 n GLU 93 Cb 0.50 -2.63 0.00 0.00 -0.57 0.00 0.00 31.44 28.75 1w09 n GLU 93 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93