#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 -0.97 0.34 -1.96 4.77 -1.26 -3.14 117.00 114.78 1w09 n LEU 4 Ca 0.00 2.25 0.23 0.00 -0.03 0.00 0.00 56.01 58.45 1w09 n LEU 4 Cb 0.00 -3.50 1.20 0.00 -2.33 0.00 0.00 43.42 38.79 1w09 n LEU 4 CO 0.00 -2.32 1.18 0.11 -1.33 0.00 0.00 177.39 175.03 1w09 h LYS 5 N -1.43 0.00 -0.57 3.23 1.57 -2.05 -2.52 116.57 114.80 1w09 h LYS 5 Ca -0.16 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1w09 h LYS 5 Cb 1.35 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.60 1w09 h LYS 5 CO 0.07 0.00 0.24 0.00 -0.57 0.00 0.00 179.45 179.18 1w09 h ALA 6 N 2.00 0.73 0.05 3.86 0.00 -1.99 0.48 119.26 124.38 1w09 h ALA 6 Ca -0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1w09 h ALA 6 Cb 0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1w09 h ALA 6 CO 0.00 -0.15 -0.02 -0.91 0.00 0.00 0.00 179.25 178.16 1w09 h ASN 7 N 0.44 -0.06 -0.36 0.00 2.35 -1.39 -1.77 115.58 114.79 1w09 h ASN 7 Ca 0.27 -0.16 0.01 0.00 -0.55 0.00 0.00 56.30 55.88 1w09 h ASN 7 Cb 0.28 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1w09 h ASN 7 CO -0.25 0.13 0.24 0.50 -1.65 0.00 0.00 177.43 176.40 1w09 h LYS 8 N -0.24 0.43 -0.39 0.81 1.63 -1.52 -1.70 116.57 115.59 1w09 h LYS 8 Ca -0.01 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.73 1w09 h LYS 8 Cb 0.22 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 1w09 h LYS 8 CO 0.01 0.29 0.09 0.22 -3.45 0.00 0.00 179.45 176.60 1w09 h ASP 9 N 0.44 0.60 -0.35 4.20 1.82 0.31 0.10 116.42 123.54 1w09 h ASP 9 Ca 0.14 -0.24 0.00 0.00 -0.39 0.00 0.00 57.03 56.54 1w09 h ASP 9 Cb 0.01 -0.16 -0.02 0.00 0.68 0.00 0.00 39.33 39.85 1w09 h ASP 9 CO -0.03 0.68 0.23 0.25 -1.61 0.00 0.00 179.24 178.76 1w09 h LEU 10 N 0.48 0.40 0.23 2.28 7.12 -0.47 0.15 115.31 125.50 1w09 h LEU 10 Ca 0.12 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.12 1w09 h LEU 10 Cb 0.33 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.34 1w09 h LEU 10 CO 0.00 0.29 -0.21 0.40 -0.13 0.00 0.00 178.44 178.80 1w09 h ILE 11 N 0.47 0.56 -0.82 4.05 1.08 -1.16 -1.97 117.51 119.72 1w09 h ILE 11 Ca 0.13 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.73 1w09 h ILE 11 Cb -0.05 0.56 -0.09 0.00 -3.07 0.00 0.00 36.82 34.17 1w09 h ILE 11 CO -0.03 0.00 0.42 0.77 -0.69 0.00 0.00 178.15 178.62 1w09 h SER 12 N -0.46 0.52 -0.68 1.72 4.64 -0.68 0.21 113.55 118.82 1w09 h SER 12 Ca -0.01 0.08 0.02 0.00 -0.47 0.00 0.00 61.79 61.42 1w09 h SER 12 Cb 0.42 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.46 1w09 h SER 12 CO -0.03 0.25 0.43 0.00 -0.87 0.00 0.00 176.83 176.61 1w09 h ALA 13 N 1.52 0.88 0.00 5.18 0.00 -0.47 0.48 119.26 126.85 1w09 h ALA 13 Ca 0.43 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.23 1w09 h ALA 13 Cb 0.56 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1w09 h ALA 13 CO -0.33 0.23 -0.40 0.78 0.00 0.00 0.00 179.25 179.53 1w09 h GLY 14 N 0.86 0.00 0.55 0.00 0.00 -0.51 -0.56 103.07 103.42 1w09 h GLY 14 Ca 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.57 1w09 h GLY 14 CO -0.09 0.00 -0.26 1.41 0.00 0.00 0.00 176.54 177.60 1w09 h LEU 15 N 0.00 -0.63 -1.09 3.11 3.38 0.14 0.11 115.31 120.33 1w09 h LEU 15 Ca -0.00 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1w09 h LEU 15 Cb 0.80 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 1w09 h LEU 15 CO 0.05 -0.29 0.62 0.11 0.09 0.00 0.00 178.44 179.02 1w09 h LYS 16 N -1.05 1.20 0.03 1.13 1.79 -0.16 0.40 116.57 119.91 1w09 h LYS 16 Ca -0.08 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.33 1w09 h LYS 16 Cb 0.57 -0.27 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 1w09 h LYS 16 CO 0.12 0.80 -0.04 0.93 -1.08 0.00 0.00 179.45 180.18 1w09 h GLU 17 N 1.24 -0.08 -0.28 3.15 4.39 -1.11 0.25 114.58 122.13 1w09 h GLU 17 Ca 0.35 0.01 -0.12 0.00 0.34 0.00 0.00 59.36 59.93 1w09 h GLU 17 Cb -0.11 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.56 1w09 h GLU 17 CO -0.08 -0.05 -0.29 0.35 -1.16 0.00 0.00 179.01 177.78 1w09 h PHE 18 N -0.09 0.83 0.02 4.33 3.57 -0.31 -1.04 116.94 124.26 1w09 h PHE 18 Ca 0.01 -0.25 0.01 0.00 3.53 0.00 0.00 57.97 61.26 1w09 h PHE 18 Cb 0.09 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 1w09 h PHE 18 CO -0.10 0.99 -0.07 1.03 -2.23 0.00 0.00 178.31 177.94 1w09 h SER 19 N 0.43 -0.19 -0.18 0.41 0.87 -0.07 -1.20 113.55 113.61 1w09 h SER 19 Ca 0.04 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.59 1w09 h SER 19 Cb 0.86 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.88 1w09 h SER 19 CO 0.07 -0.11 0.01 0.58 -0.53 0.00 0.00 176.83 176.85 1w09 h VAL 20 N -0.13 1.17 -0.33 2.23 2.07 -0.52 -1.89 116.25 118.85 1w09 h VAL 20 Ca 0.02 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1w09 h VAL 20 Cb 0.16 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1w09 h VAL 20 CO -0.06 0.23 0.16 0.25 0.02 0.00 0.00 177.57 178.17 1w09 h LEU 21 N 0.41 0.43 -0.53 2.57 5.85 -0.46 1.16 115.31 124.74 1w09 h LEU 21 Ca 0.09 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 1w09 h LEU 21 Cb 0.27 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1w09 h LEU 21 CO 0.01 0.44 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.47 1w09 h LEU 22 N 0.40 0.93 0.00 2.25 3.38 -0.91 1.05 115.31 122.41 1w09 h LEU 22 Ca 0.11 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1w09 h LEU 22 Cb 0.12 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1w09 h LEU 22 CO -0.01 1.01 -0.12 0.78 0.09 0.00 0.00 178.44 180.18 1w09 h ASN 23 N 0.82 0.00 -0.08 -0.43 2.35 -1.18 -3.26 115.58 113.80 1w09 h ASN 23 Ca 0.15 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1w09 h ASN 23 Cb 0.54 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1w09 h ASN 23 CO 0.03 0.12 -0.05 1.67 -1.65 0.00 0.00 177.43 177.55 1w09 n GLN 24 N -3.13 1.72 -0.11 0.81 0.00 0.40 -4.82 117.38 112.24 1w09 n GLN 24 Ca 0.03 -2.75 0.00 0.00 -0.00 0.00 0.00 57.00 54.29 1w09 n GLN 24 Cb 0.58 -1.61 0.00 0.00 0.00 0.00 0.00 30.24 29.21 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 -1.18 0.35 0.00 3.69 0.00 0.36 -4.87 117.38 115.72 1w09 n GLN 25 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.18 1w09 n GLN 25 Cb 0.72 -1.33 0.00 0.00 0.00 0.00 0.00 30.24 29.64 1w09 n GLN 25 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 1w09 n VAL 26 N 1.48 0.00 -3.58 1.69 0.24 -1.26 -4.85 118.33 112.05 1w09 n VAL 26 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.90 1w09 n VAL 26 Cb 0.17 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.46 1w09 n VAL 26 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1w09 s PHE 27 N 0.00 3.43 0.08 6.34 0.40 -1.26 -5.06 117.98 121.91 1w09 s PHE 27 Ca 0.00 -1.89 0.07 0.00 -0.60 0.00 0.00 56.93 54.51 1w09 s PHE 27 Cb 0.00 -3.43 -0.04 0.00 0.51 0.00 0.00 43.02 40.06 1w09 s PHE 27 CO 0.00 -0.98 -0.12 0.54 0.70 0.00 0.00 175.22 175.36 1w09 s ASN 28 N 2.56 4.28 0.16 1.36 2.20 -1.26 -5.04 114.94 119.19 1w09 s ASN 28 Ca 0.06 -0.38 -0.09 0.00 -0.94 0.00 0.00 52.86 51.50 1w09 s ASN 28 Cb -0.26 -0.80 -0.06 0.00 -2.00 0.00 0.00 41.25 38.13 1w09 s ASN 28 CO -0.01 0.20 0.47 -1.81 -2.94 0.00 0.00 177.10 173.01 1w09 s ASP 29 N -1.98 6.62 -0.29 3.54 1.01 -1.26 -2.43 116.67 121.88 1w09 s ASP 29 Ca 0.19 0.82 -0.29 0.00 0.71 0.00 0.00 52.55 53.99 1w09 s ASP 29 Cb -0.11 -2.19 0.00 0.00 1.01 0.00 0.00 42.92 41.64 1w09 s ASP 29 CO 0.11 0.04 1.23 -2.16 0.21 0.00 0.00 175.17 174.60 1w09 s PRO 30 N -2.44 4.00 0.19 8.23 0.04 -1.26 -5.09 135.00 138.67 1w09 s PRO 30 Ca 0.41 1.25 -0.26 0.00 0.04 0.00 0.00 61.00 62.44 1w09 s PRO 30 Cb -0.13 -3.82 -0.16 0.00 0.04 0.00 0.00 34.50 30.43 1w09 s PRO 30 CO 0.21 -1.00 0.48 1.28 0.04 0.00 0.00 177.00 178.01 1w09 n LEU 31 N 7.27 -1.19 -4.81 -3.56 4.77 -1.02 -4.91 117.00 113.55 1w09 n LEU 31 Ca 0.14 1.05 -0.33 0.00 -0.03 0.00 0.00 56.01 56.84 1w09 n LEU 31 Cb 0.46 -0.88 -0.02 0.00 -2.33 0.00 0.00 43.42 40.65 1w09 n LEU 31 CO 0.61 -2.80 0.70 0.54 -1.33 0.00 0.00 177.39 175.11 1w09 s VAL 32 N -0.94 4.04 0.85 4.08 0.11 -1.26 -5.05 120.40 122.22 1w09 s VAL 32 Ca 0.60 1.09 -0.13 0.00 -2.93 0.00 0.00 61.98 60.61 1w09 s VAL 32 Cb -0.86 -3.51 0.11 0.00 -1.53 0.00 0.00 36.38 30.60 1w09 s VAL 32 CO 0.52 -0.45 1.22 -0.44 -3.33 0.00 0.00 175.10 172.63 1w09 s SER 33 N -2.54 4.12 0.16 3.54 0.01 -1.26 -4.87 113.70 112.86 1w09 s SER 33 Ca 0.63 0.64 -0.10 0.00 1.31 0.00 0.00 55.95 58.43 1w09 s SER 33 Cb -0.14 -1.01 0.04 0.00 0.21 0.00 0.00 66.02 65.12 1w09 s SER 33 CO 0.28 -2.14 1.61 -0.33 0.41 0.00 0.00 173.24 173.06 1w09 h GLU 34 N -1.22 0.99 -0.47 12.44 3.07 -1.97 -0.23 114.58 127.20 1w09 h GLU 34 Ca -0.46 -0.34 -0.08 0.00 -0.50 0.00 0.00 59.36 57.99 1w09 h GLU 34 Cb 1.30 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 29.12 1w09 h GLU 34 CO 0.58 1.01 -0.02 1.05 -1.40 0.00 0.00 179.01 180.24 1w09 h GLU 35 N 0.87 0.78 -0.15 2.33 -0.00 -1.99 0.28 114.58 116.71 1w09 h GLU 35 Ca 0.15 -0.22 -0.17 0.00 -0.00 0.00 0.00 59.36 59.12 1w09 h GLU 35 Cb 0.60 -0.09 -0.01 0.00 -0.00 0.00 0.00 28.75 29.25 1w09 h GLU 35 CO 0.04 0.81 -0.61 -0.44 -0.00 0.00 0.00 179.01 178.81 1w09 h ASP 36 N 0.73 0.56 -0.25 3.06 3.32 -1.91 -2.15 116.42 119.79 1w09 h ASP 36 Ca 0.14 -0.32 -0.05 0.00 0.02 0.00 0.00 57.03 56.82 1w09 h ASP 36 Cb 0.48 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 1w09 h ASP 36 CO 0.02 1.04 -0.05 -0.03 -1.72 0.00 0.00 179.24 178.50 1w09 h MET 37 N 0.37 0.47 -0.47 3.56 4.05 -0.52 -1.88 114.93 120.51 1w09 h MET 37 Ca -0.01 -0.17 0.06 0.00 -0.28 0.00 0.00 59.70 59.30 1w09 h MET 37 Cb 1.16 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.87 1w09 h MET 37 CO 0.11 0.68 0.17 0.28 0.23 0.00 0.00 176.91 178.38 1w09 h VAL 38 N 0.22 0.85 -0.38 -5.77 2.07 -0.38 0.23 116.25 113.09 1w09 h VAL 38 Ca 0.06 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.49 1w09 h VAL 38 Cb 0.50 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1w09 h VAL 38 CO 0.02 0.06 0.19 0.71 0.02 0.00 0.00 177.57 178.58 1w09 h THR 39 N 0.35 0.98 -0.09 2.57 1.35 -1.27 0.10 112.91 116.91 1w09 h THR 39 Ca 0.22 -0.13 0.03 0.00 -0.55 0.00 0.00 66.41 65.98 1w09 h THR 39 Cb 0.22 0.56 -0.04 0.00 -1.73 0.00 0.00 68.15 67.17 1w09 h THR 39 CO -0.23 0.07 -0.12 0.58 -0.25 0.00 0.00 175.52 175.57 1w09 h VAL 40 N 0.39 0.67 -0.42 6.82 2.07 -0.47 -0.16 116.25 125.14 1w09 h VAL 40 Ca 0.16 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.71 1w09 h VAL 40 Cb 0.06 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1w09 h VAL 40 CO -0.11 0.00 0.22 0.58 0.02 0.00 0.00 177.57 178.28 1w09 h VAL 41 N -0.17 0.99 -0.48 2.57 2.07 -0.61 -1.86 116.25 118.76 1w09 h VAL 41 Ca 0.07 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.51 1w09 h VAL 41 Cb 0.27 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.48 1w09 h VAL 41 CO -0.18 0.08 0.14 -0.33 0.02 0.00 0.00 177.57 177.29 1w09 h GLU 42 N 0.44 0.28 -0.28 1.57 5.08 -0.27 0.28 114.58 121.68 1w09 h GLU 42 Ca 0.18 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.56 1w09 h GLU 42 Cb 0.07 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1w09 h GLU 42 CO -0.12 0.19 0.06 -0.44 -1.00 0.00 0.00 179.01 177.70 1w09 h ASP 43 N 0.29 0.02 -0.74 1.42 5.19 -0.49 -1.28 116.42 120.83 1w09 h ASP 43 Ca 0.23 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.69 1w09 h ASP 43 Cb 0.28 0.06 -0.04 0.00 0.18 0.00 0.00 39.33 39.81 1w09 h ASP 43 CO -0.27 0.05 0.45 -0.50 -3.12 0.00 0.00 179.24 175.85 1w09 h TRP 44 N 0.16 0.97 0.09 4.55 6.55 -0.67 0.44 115.95 128.04 1w09 h TRP 44 Ca 0.13 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.97 1w09 h TRP 44 Cb 0.13 -0.32 0.00 0.00 -0.86 0.00 0.00 29.16 28.11 1w09 h TRP 44 CO -0.16 0.65 -0.04 1.98 -1.05 0.00 0.00 178.44 179.81 1w09 h MET 45 N 1.01 -0.11 0.00 0.49 4.05 -0.44 0.34 114.93 120.27 1w09 h MET 45 Ca 0.27 0.01 -0.13 0.00 -0.28 0.00 0.00 59.70 59.57 1w09 h MET 45 Cb -0.05 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.76 1w09 h MET 45 CO -0.05 0.01 -0.61 -0.97 0.23 0.00 0.00 176.91 175.52 1w09 h ASN 46 N -0.21 0.00 -0.34 1.39 -1.24 -1.17 -1.54 115.58 112.46 1w09 h ASN 46 Ca -0.01 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.97 1w09 h ASN 46 Cb 0.18 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.21 1w09 h ASN 46 CO 0.02 0.61 0.11 0.15 -1.29 0.00 0.00 177.43 177.02 1w09 h PHE 47 N 0.00 0.55 -0.30 0.67 3.57 0.19 -1.60 116.94 120.03 1w09 h PHE 47 Ca -0.01 -0.06 -0.12 0.00 3.53 0.00 0.00 57.97 61.32 1w09 h PHE 47 Cb 1.10 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 1w09 h PHE 47 CO 0.00 0.54 -0.26 1.88 -2.23 0.00 0.00 178.31 178.24 1w09 h TYR 48 N 0.40 0.84 0.09 0.41 0.05 -0.21 -0.73 116.97 117.82 1w09 h TYR 48 Ca 0.11 -0.24 0.02 0.00 0.05 0.00 0.00 58.73 58.67 1w09 h TYR 48 Cb 0.25 -0.18 -0.04 0.00 1.01 0.00 0.00 36.73 37.77 1w09 h TYR 48 CO 0.01 0.98 -0.31 0.82 -1.05 0.00 0.00 178.16 178.61 1w09 h ILE 49 N 0.46 0.33 -0.29 -2.88 1.08 -1.14 0.55 117.51 115.62 1w09 h ILE 49 Ca 0.05 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.43 1w09 h ILE 49 Cb 0.83 0.33 -0.01 0.00 -3.07 0.00 0.00 36.82 34.89 1w09 h ILE 49 CO 0.07 0.00 -0.19 0.78 -0.69 0.00 0.00 178.15 178.11 1w09 h ASN 50 N -0.51 0.52 -0.82 1.72 2.35 -1.34 -1.99 115.58 115.51 1w09 h ASN 50 Ca 0.04 -0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 55.59 1w09 h ASN 50 Cb 0.56 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.75 1w09 h ASN 50 CO -0.20 0.72 0.36 0.22 -1.65 0.00 0.00 177.43 176.88 1w09 h TYR 51 N 0.47 1.21 -0.02 1.19 5.03 -0.39 -3.08 116.97 121.37 1w09 h TYR 51 Ca 0.08 -0.07 -0.25 0.00 2.58 0.00 0.00 58.73 61.06 1w09 h TYR 51 Cb 0.60 -0.37 0.01 0.00 1.55 0.00 0.00 36.73 38.53 1w09 h TYR 51 CO 0.02 0.89 -0.97 1.88 -1.32 0.00 0.00 178.16 178.66 1w09 h TYR 52 N 1.17 0.92 -0.27 -3.82 -1.99 0.35 -2.76 116.97 110.58 1w09 h TYR 52 Ca 0.28 -0.49 0.04 0.00 2.00 0.00 0.00 58.73 60.56 1w09 h TYR 52 Cb 0.16 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 38.77 1w09 h TYR 52 CO 0.02 1.32 0.18 0.07 -0.00 0.00 0.00 178.16 179.75 1w09 h ARG 53 N 0.37 0.20 0.00 4.88 0.11 -1.30 0.14 114.38 118.79 1w09 h ARG 53 Ca -0.10 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.96 1w09 h ARG 53 Cb 1.61 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.65 1w09 h ARG 53 CO 0.19 0.14 -0.65 1.04 0.10 0.00 0.00 179.97 180.78 1w09 n GLN 54 N -4.49 0.08 0.03 0.08 6.02 -1.17 -4.02 117.38 113.90 1w09 n GLN 54 Ca 0.02 0.01 0.11 0.00 -0.01 0.00 0.00 57.00 57.13 1w09 n GLN 54 Cb 0.19 -1.54 -0.10 0.00 1.02 0.00 0.00 30.24 29.82 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 -1.65 0.55 -1.19 -1.09 3.00 -0.17 -4.97 117.38 111.86 1w09 n GLN 55 Ca 0.04 -0.08 -0.31 0.00 -0.01 0.00 0.00 57.00 56.65 1w09 n GLN 55 Cb 0.36 -1.61 0.10 0.00 0.00 0.00 0.00 30.24 29.10 1w09 n GLN 55 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1w09 s VAL 56 N -3.40 3.14 0.28 5.09 1.01 -0.14 -5.03 120.40 121.35 1w09 s VAL 56 Ca -0.03 0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.34 1w09 s VAL 56 Cb 0.13 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 1w09 s VAL 56 CO 0.86 -0.48 0.11 0.42 0.00 0.00 0.00 175.10 176.00 1w09 s THR 57 N -2.88 0.58 0.00 3.92 -4.23 -1.26 -5.04 115.64 106.73 1w09 s THR 57 Ca 0.62 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 1w09 s THR 57 Cb -0.18 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.04 1w09 s THR 57 CO 0.56 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.25 1w09 n GLY 58 N -0.53 -0.36 3.85 3.99 0.00 -1.26 -4.64 105.19 106.24 1w09 n GLY 58 Ca -0.00 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 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 2.86 0.53 1.61 8.01 -1.26 -4.96 118.70 125.49 1w09 s GLU 59 Ca 0.00 0.64 0.20 0.00 0.01 0.00 0.00 54.97 55.82 1w09 s GLU 59 Cb 0.00 -2.01 1.39 0.00 -4.31 0.00 0.00 34.13 29.20 1w09 s GLU 59 CO 0.00 -1.08 2.15 -1.00 0.01 0.00 0.00 175.26 175.34 1w09 h PRO 60 N -0.69 0.00 -0.57 0.39 0.13 -2.01 -2.47 132.00 126.78 1w09 h PRO 60 Ca -0.45 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 1w09 h PRO 60 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1w09 h PRO 60 CO 0.61 0.04 0.27 0.37 -0.23 0.00 0.00 178.00 179.06 1w09 h GLN 61 N 0.00 0.83 -0.33 0.86 -0.00 -1.97 -1.99 115.11 112.50 1w09 h GLN 61 Ca -0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 58.65 58.53 1w09 h GLN 61 Cb 0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 27.48 27.40 1w09 h GLN 61 CO 0.01 0.68 0.22 0.93 0.00 0.00 0.00 178.83 180.66 1w09 h GLU 62 N 0.77 0.44 -0.21 1.69 4.39 -1.78 -1.92 114.58 117.96 1w09 h GLU 62 Ca 0.20 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.92 1w09 h GLU 62 Cb 0.13 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.63 1w09 h GLU 62 CO -0.02 0.30 -0.13 0.00 -1.16 0.00 0.00 179.01 178.00 1w09 h ARG 63 N 0.44 -0.11 -0.85 2.33 -0.00 -1.44 -0.93 114.38 113.82 1w09 h ARG 63 Ca 0.12 0.01 0.09 0.00 -0.50 0.00 0.00 59.98 59.70 1w09 h ARG 63 Cb -0.04 0.03 -0.07 0.00 0.00 0.00 0.00 29.97 29.89 1w09 h ARG 63 CO -0.03 -0.07 0.50 0.22 0.00 0.00 0.00 179.97 180.59 1w09 h ASP 64 N -0.11 0.74 0.14 7.04 3.58 -1.03 0.06 116.42 126.83 1w09 h ASP 64 Ca 0.12 0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.54 1w09 h ASP 64 Cb 0.29 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 1w09 h ASP 64 CO -0.28 0.43 -0.27 0.50 -2.88 0.00 0.00 179.24 176.73 1w09 h LYS 65 N 0.85 0.22 -0.26 0.28 3.64 -0.54 -1.55 116.57 119.21 1w09 h LYS 65 Ca 0.41 -0.08 -0.17 0.00 -1.27 0.00 0.00 60.65 59.54 1w09 h LYS 65 Cb 0.35 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1w09 h LYS 65 CO -0.24 0.48 -0.53 0.00 -2.27 0.00 0.00 179.45 176.90 1w09 h ALA 66 N 1.52 0.58 -0.19 5.00 0.00 0.19 -1.70 119.26 124.66 1w09 h ALA 66 Ca 0.03 -0.51 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 1w09 h ALA 66 Cb 0.60 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1w09 h ALA 66 CO 0.04 0.68 -0.46 -0.07 0.00 0.00 0.00 179.25 179.45 1w09 h LEU 67 N 0.58 0.51 -0.05 0.00 4.07 -0.72 -1.22 115.31 118.48 1w09 h LEU 67 Ca 0.02 -0.24 -0.08 0.00 0.08 0.00 0.00 57.88 57.65 1w09 h LEU 67 Cb 1.11 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.71 1w09 h LEU 67 CO 0.11 0.90 -0.30 0.06 -1.08 0.00 0.00 178.44 178.13 1w09 h GLN 68 N 0.38 0.29 -0.49 1.13 -0.00 -1.25 -2.08 115.11 113.09 1w09 h GLN 68 Ca 0.02 -0.25 -0.03 0.00 -0.00 0.00 0.00 58.65 58.40 1w09 h GLN 68 Cb 0.95 0.05 -0.02 0.00 -0.00 0.00 0.00 27.48 28.46 1w09 h GLN 68 CO 0.08 0.90 0.19 1.49 -0.00 0.00 0.00 178.83 181.49 1w09 h GLU 69 N -0.25 0.70 -0.06 0.06 4.81 -1.32 -1.43 114.58 117.09 1w09 h GLU 69 Ca -0.02 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1w09 h GLU 69 Cb 0.97 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.22 1w09 h GLU 69 CO 0.06 0.59 0.00 1.25 -0.73 0.00 0.00 179.01 180.18 1w09 h LEU 70 N 0.69 0.10 -0.57 1.64 5.85 -1.22 0.43 115.31 122.23 1w09 h LEU 70 Ca 0.17 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.66 1w09 h LEU 70 Cb 0.15 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 1w09 h LEU 70 CO -0.01 0.38 0.24 -0.09 -0.34 0.00 0.00 178.44 178.62 1w09 h ARG 71 N -0.18 0.44 -0.06 1.25 2.43 -0.98 0.14 114.38 117.41 1w09 h ARG 71 Ca 0.02 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 59.00 1w09 h ARG 71 Cb 0.33 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1w09 h ARG 71 CO 0.00 0.29 -0.68 0.37 -1.51 0.00 0.00 179.97 178.44 1w09 h GLN 72 N 0.45 0.29 -0.19 0.20 4.15 -1.19 -1.97 115.11 116.85 1w09 h GLN 72 Ca 0.28 -0.23 -0.00 0.00 0.77 0.00 0.00 58.65 59.47 1w09 h GLN 72 Cb 0.28 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 1w09 h GLN 72 CO -0.25 0.86 0.12 0.93 -1.93 0.00 0.00 178.83 178.57 1w09 h GLU 73 N 0.20 0.26 -0.27 1.69 4.39 0.11 -1.49 114.58 119.47 1w09 h GLU 73 Ca -0.02 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 1w09 h GLU 73 Cb 1.23 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 1w09 h GLU 73 CO 0.11 0.21 -0.08 -0.07 -1.16 0.00 0.00 179.01 178.02 1w09 h LEU 74 N 0.23 0.54 -1.00 1.33 3.38 -0.79 -0.88 115.31 118.14 1w09 h LEU 74 Ca 0.07 -0.38 0.16 0.00 0.09 0.00 0.00 57.88 57.82 1w09 h LEU 74 Cb 0.02 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 40.52 1w09 h LEU 74 CO -0.01 0.80 0.61 0.78 0.09 0.00 0.00 178.44 180.70 1w09 h ASN 75 N 0.28 0.83 0.62 -0.43 2.35 -1.17 0.54 115.58 118.61 1w09 h ASN 75 Ca 0.07 0.08 -0.28 0.00 -0.55 0.00 0.00 56.30 55.62 1w09 h ASN 75 Cb 0.57 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.86 1w09 h ASN 75 CO 0.03 0.36 -1.28 0.00 -1.65 0.00 0.00 177.43 174.89 1w09 h THR 76 N 0.85 1.45 -0.00 2.81 1.03 -1.18 -3.24 112.91 114.63 1w09 h THR 76 Ca 0.54 -3.04 -0.14 0.00 -0.01 0.00 0.00 66.41 63.76 1w09 h THR 76 Cb 0.71 2.90 -0.02 0.00 -1.07 0.00 0.00 68.15 70.68 1w09 h THR 76 CO -0.33 0.88 -0.65 -0.07 -0.01 0.00 0.00 175.52 175.34 1w09 h LEU 77 N 0.07 0.02 -0.49 0.00 3.38 -0.03 -3.19 115.31 115.07 1w09 h LEU 77 Ca -0.15 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.66 1w09 h LEU 77 Cb 1.97 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.69 1w09 h LEU 77 CO 0.19 0.66 -0.72 0.00 0.09 0.00 0.00 178.44 178.66 1w09 h ALA 78 N 1.34 0.76 -0.24 1.53 0.00 -0.07 -3.22 119.26 119.35 1w09 h ALA 78 Ca -0.01 -0.65 0.05 0.00 0.00 0.00 0.00 54.91 54.30 1w09 h ALA 78 Cb 1.15 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1w09 h ALA 78 CO 0.09 0.90 -0.08 -0.91 0.00 0.00 0.00 179.25 179.25 1w09 h ASN 79 N 0.00 -0.27 -0.20 0.00 2.35 -1.57 0.18 115.58 116.06 1w09 h ASN 79 Ca -0.01 0.08 -0.15 0.00 -0.55 0.00 0.00 56.30 55.67 1w09 h ASN 79 Cb 1.32 0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.85 1w09 h ASN 79 CO 0.09 -0.10 -0.41 1.55 -1.65 0.00 0.00 177.43 176.92 1w09 h PRO 80 N -0.02 0.75 0.30 0.81 0.13 -1.71 -2.89 132.00 129.36 1w09 h PRO 80 Ca 0.12 -0.39 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 1w09 h PRO 80 Cb 0.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.35 1w09 h PRO 80 CO -0.27 1.02 -0.14 0.35 -0.23 0.00 0.00 178.00 178.73 1w09 h PHE 81 N 0.61 -0.37 -0.38 1.56 3.57 -1.50 -1.74 116.94 118.68 1w09 h PHE 81 Ca 0.05 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.65 1w09 h PHE 81 Cb 0.96 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 1w09 h PHE 81 CO 0.05 -0.14 0.33 -0.07 -2.23 0.00 0.00 178.31 176.25 1w09 h LEU 82 N -0.54 0.00 -0.13 0.59 3.38 -1.01 0.01 115.31 117.61 1w09 h LEU 82 Ca -0.04 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 1w09 h LEU 82 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1w09 h LEU 82 CO 0.07 0.00 -0.26 0.00 0.09 0.00 0.00 178.44 178.34 1w09 h ALA 83 N 1.69 0.20 -0.76 1.53 0.00 -1.18 0.33 119.26 121.08 1w09 h ALA 83 Ca 0.18 -0.39 0.06 0.00 0.00 0.00 0.00 54.91 54.76 1w09 h ALA 83 Cb 0.84 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 1w09 h ALA 83 CO -0.00 0.19 0.45 0.87 0.00 0.00 0.00 179.25 180.76 1w09 h LYS 84 N -0.01 0.79 -0.01 0.00 1.57 -0.16 0.27 116.57 119.02 1w09 h LYS 84 Ca 0.00 -0.05 -0.19 0.00 -1.87 0.00 0.00 60.65 58.54 1w09 h LYS 84 Cb 0.85 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 1w09 h LYS 84 CO 0.06 0.52 -0.84 -0.92 -0.57 0.00 0.00 179.45 177.70 1w09 h TYR 85 N 0.82 0.36 -0.47 -1.35 3.20 -1.35 -1.10 116.97 117.08 1w09 h TYR 85 Ca 0.34 -0.19 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 1w09 h TYR 85 Cb 0.19 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1w09 h TYR 85 CO -0.06 0.98 0.22 0.00 -1.64 0.00 0.00 178.16 177.66 1w09 h ARG 86 N 0.15 0.68 -0.11 1.82 2.47 0.82 0.44 114.38 120.65 1w09 h ARG 86 Ca -0.04 -0.10 -0.14 0.00 -1.26 0.00 0.00 59.98 58.43 1w09 h ARG 86 Cb 1.45 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 29.64 1w09 h ARG 86 CO 0.13 0.58 -0.56 0.22 0.56 0.00 0.00 179.97 180.91 1w09 h ASP 87 N 0.62 0.35 0.64 7.04 1.82 -0.51 -1.71 116.42 124.67 1w09 h ASP 87 Ca 0.16 -0.19 -0.11 0.00 -0.39 0.00 0.00 57.03 56.51 1w09 h ASP 87 Cb 0.13 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.02 1w09 h ASP 87 CO -0.02 0.84 -0.51 0.15 -1.61 0.00 0.00 179.24 178.08 1w09 h PHE 88 N 0.24 0.00 0.08 0.28 3.57 -0.67 0.31 116.94 120.76 1w09 h PHE 88 Ca 0.00 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.35 1w09 h PHE 88 Cb 1.05 0.00 0.02 0.00 2.79 0.00 0.00 35.95 39.81 1w09 h PHE 88 CO 0.03 0.51 -0.63 -0.07 -2.23 0.00 0.00 178.31 175.92 1w09 h LEU 89 N 0.00 0.41 -0.23 0.59 -0.00 0.07 -2.81 115.31 113.33 1w09 h LEU 89 Ca -0.01 -0.90 -0.21 0.00 -0.00 0.00 0.00 57.88 56.76 1w09 h LEU 89 Cb 0.97 -0.13 0.01 0.00 -0.00 0.00 0.00 40.66 41.50 1w09 h LEU 89 CO 0.07 1.27 -0.80 0.07 -0.00 0.00 0.00 178.44 179.05 1w09 h LYS 90 N -0.39 0.63 0.00 1.13 2.10 -1.30 -3.07 116.57 115.66 1w09 h LYS 90 Ca -0.10 -0.54 0.00 0.00 -2.00 0.00 0.00 60.65 58.01 1w09 h LYS 90 Cb 1.44 0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.89 1w09 h LYS 90 CO 0.12 1.15 0.00 0.45 -2.00 0.00 0.00 179.45 179.17 1w09 n SER 91 N -3.88 0.20 -4.58 7.07 2.88 0.11 -4.72 113.62 110.71 1w09 n SER 91 Ca -0.07 0.53 -0.40 0.00 -1.33 0.00 0.00 58.87 57.60 1w09 n SER 91 Cb 0.75 -0.58 -0.03 0.00 -0.75 0.00 0.00 64.21 63.60 1w09 n SER 91 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1w09 s HIS 92 N -3.06 1.61 -0.24 0.66 3.76 -1.06 -4.95 115.29 112.02 1w09 s HIS 92 Ca 0.10 0.81 0.02 0.00 -0.15 0.00 0.00 55.06 55.84 1w09 s HIS 92 Cb 0.13 -4.02 0.05 0.00 1.11 0.00 0.00 32.58 29.86 1w09 s HIS 92 CO 0.43 -2.75 -0.11 -2.00 -0.85 0.00 0.00 174.74 169.46 1w09 s GLU 93 N 6.56 2.20 0.00 1.40 2.12 -1.26 -5.03 118.70 124.68 1w09 s GLU 93 Ca 0.79 -1.15 0.19 0.00 0.36 0.00 0.00 54.97 55.17 1w09 s GLU 93 Cb -0.19 -2.73 1.14 0.00 0.26 0.00 0.00 34.13 32.62 1w09 s GLU 93 CO 0.28 -0.51 1.53 1.28 -0.54 0.00 0.00 175.26 177.31