#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ww9 s ARG 10 N 0.00 0.97 -0.06 -0.78 0.52 -0.95 -5.00 118.95 113.65 2ww9 s ARG 10 Ca 0.00 -1.30 0.01 0.00 -0.52 0.00 0.00 55.73 53.92 2ww9 s ARG 10 Cb 0.00 -0.63 0.02 0.00 0.52 0.00 0.00 34.95 34.86 2ww9 s ARG 10 CO 0.00 0.09 -0.08 -2.00 0.02 0.00 0.00 175.30 173.33 2ww9 s GLU 11 N -3.20 1.24 0.08 3.54 2.12 -1.26 -2.36 118.70 118.86 2ww9 s GLU 11 Ca 0.11 -0.24 0.06 0.00 0.36 0.00 0.00 54.97 55.26 2ww9 s GLU 11 Cb -0.01 -1.14 -0.03 0.00 0.26 0.00 0.00 34.13 33.21 2ww9 s GLU 11 CO 0.01 -0.06 -0.17 0.71 -0.54 0.00 0.00 175.26 175.21 2ww9 s TYR 12 N 0.91 1.46 -0.21 5.30 1.51 -0.96 -4.99 117.35 120.36 2ww9 s TYR 12 Ca -0.11 -0.43 -0.05 0.00 -1.01 0.00 0.00 57.07 55.47 2ww9 s TYR 12 Cb -0.15 -0.82 -0.02 0.00 -0.11 0.00 0.00 41.96 40.86 2ww9 s TYR 12 CO 0.01 0.11 0.00 0.95 -1.11 0.00 0.00 175.55 175.51 2ww9 s THR 13 N -1.15 3.89 -0.13 -0.71 -4.23 -1.26 -1.70 115.64 110.35 2ww9 s THR 13 Ca 0.02 -0.32 -0.18 0.00 -1.18 0.00 0.00 61.69 60.02 2ww9 s THR 13 Cb -0.10 -2.78 -0.04 0.00 1.34 0.00 0.00 72.50 70.93 2ww9 s THR 13 CO 0.03 0.41 0.48 -0.63 -0.54 0.00 0.00 174.62 174.37 2ww9 s ILE 14 N 1.24 5.18 -0.72 2.99 1.01 -0.88 -4.95 121.20 125.06 2ww9 s ILE 14 Ca 0.03 0.95 -0.23 0.00 0.00 0.00 0.00 60.65 61.40 2ww9 s ILE 14 Cb -0.15 -3.82 0.07 0.00 0.01 0.00 0.00 42.46 38.57 2ww9 s ILE 14 CO 0.01 0.30 1.07 0.21 0.00 0.00 0.00 174.94 176.53 2ww9 s ASN 15 N 0.72 6.23 0.00 3.58 3.84 -1.26 -3.49 114.94 124.55 2ww9 s ASN 15 Ca 0.26 -0.99 0.17 0.00 0.21 0.00 0.00 52.86 52.51 2ww9 s ASN 15 Cb -0.15 -2.46 0.47 0.00 -0.55 0.00 0.00 41.25 38.56 2ww9 s ASN 15 CO 0.10 -1.50 1.39 0.18 -2.79 0.00 0.00 177.10 174.48 2ww9 n LEU 16 N 8.03 3.42 -0.02 3.21 4.77 -1.26 -3.57 117.00 131.59 2ww9 n LEU 16 Ca 0.02 -1.94 -0.07 0.00 -0.03 0.00 0.00 56.01 53.99 2ww9 n LEU 16 Cb 0.47 -0.35 0.12 0.00 -2.33 0.00 0.00 43.42 41.33 2ww9 n LEU 16 CO 0.65 0.84 0.64 0.45 -1.33 0.00 0.00 177.39 178.64 2ww9 h HIS 17 N 3.25 0.69 -2.88 -1.77 3.86 -1.90 -3.24 115.15 113.16 2ww9 h HIS 17 Ca 0.00 -0.18 -0.56 0.00 -1.16 0.00 0.00 60.37 58.47 2ww9 h HIS 17 Cb 0.86 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 29.15 2ww9 h HIS 17 CO 0.35 0.86 0.91 0.21 0.86 0.00 0.00 177.93 181.11 2ww9 s LYS 18 N -4.35 4.24 0.00 2.45 2.47 -1.23 -4.05 119.74 119.26 2ww9 s LYS 18 Ca -0.08 1.75 0.00 0.00 -1.56 0.00 0.00 55.97 56.08 2ww9 s LYS 18 Cb 0.13 -3.77 0.00 0.00 -1.46 0.00 0.00 37.83 32.73 2ww9 s LYS 18 CO 0.82 -0.70 0.00 0.54 0.16 0.00 0.00 175.35 176.17 2ww9 n ARG 19 N 6.50 0.00 -0.60 4.03 1.74 -1.26 -4.75 116.66 122.32 2ww9 n ARG 19 Ca 0.14 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.32 2ww9 n ARG 19 Cb 0.45 -2.65 0.36 0.00 -1.02 0.00 0.00 32.46 29.60 2ww9 n ARG 19 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2ww9 n LEU 20 N 0.00 4.75 -0.00 0.55 7.94 -1.22 -2.49 117.00 126.53 2ww9 n LEU 20 Ca 0.00 -2.40 0.03 0.00 -1.11 0.00 0.00 56.01 52.53 2ww9 n LEU 20 Cb 0.00 -0.58 -0.04 0.00 0.53 0.00 0.00 43.42 43.33 2ww9 n LEU 20 CO 0.00 0.84 -0.46 1.57 -1.11 0.00 0.00 177.39 178.23 2ww9 n HIS 21 N 1.24 0.00 0.13 1.96 -0.00 -1.26 -4.70 115.22 112.58 2ww9 n HIS 21 Ca 0.26 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.55 2ww9 n HIS 21 Cb 0.87 -0.11 0.03 0.00 -0.12 0.00 0.00 29.99 30.67 2ww9 n HIS 21 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 2ww9 h GLY 22 N 1.16 0.00 -2.02 1.57 0.00 -1.82 -3.45 103.07 98.52 2ww9 h GLY 22 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 2ww9 h GLY 22 CO 0.00 0.00 0.05 0.14 0.00 0.00 0.00 176.54 176.73 2ww9 s VAL 23 N -3.29 4.37 0.00 4.60 1.01 -1.04 -4.89 120.40 121.16 2ww9 s VAL 23 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.91 2ww9 s VAL 23 Cb 0.08 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.80 2ww9 s VAL 23 CO 0.76 -0.60 0.00 -0.24 0.00 0.00 0.00 175.10 175.03 2ww9 n SER 24 N -2.26 -0.63 0.00 3.32 2.88 -1.26 -4.95 113.62 110.72 2ww9 n SER 24 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 2ww9 n SER 24 Cb 0.56 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 2ww9 n SER 24 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2ww9 n PHE 25 N 0.85 0.00 0.00 0.66 0.99 -1.26 -5.00 117.46 113.70 2ww9 n PHE 25 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2ww9 n PHE 25 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 2ww9 n PHE 25 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 2ww9 n LYS 26 N 0.00 0.00 -3.63 -1.08 4.76 -1.26 -5.08 118.16 111.87 2ww9 n LYS 26 Ca 0.00 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.09 2ww9 n LYS 26 Cb 0.00 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 2ww9 n LYS 26 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2ww9 n LYS 27 N 0.00 2.62 0.02 1.97 4.76 -1.26 -4.85 118.16 121.42 2ww9 n LYS 27 Ca 0.00 -4.50 -0.19 0.00 -2.87 0.00 0.00 58.31 50.75 2ww9 n LYS 27 Cb 0.00 -2.39 -0.14 0.00 -1.84 0.00 0.00 35.03 30.66 2ww9 n LYS 27 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ww9 h ARG 28 N 5.76 0.24 -0.67 1.97 3.08 -1.92 -3.42 114.38 119.42 2ww9 h ARG 28 Ca 0.17 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.81 2ww9 h ARG 28 Cb 0.78 0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 2ww9 h ARG 28 CO 0.86 1.19 0.42 0.00 -1.07 0.00 0.00 179.97 181.38 2ww9 h ALA 29 N 0.04 0.85 0.00 0.04 0.00 -1.89 -0.98 119.26 117.32 2ww9 h ALA 29 Ca -0.15 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 2ww9 h ALA 29 Cb 1.55 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2ww9 h ALA 29 CO 0.11 0.30 -0.56 -1.00 0.00 0.00 0.00 179.25 178.09 2ww9 h PRO 30 N 0.90 0.00 -0.40 0.00 0.13 -2.00 -2.03 132.00 128.60 2ww9 h PRO 30 Ca 0.24 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.23 2ww9 h PRO 30 Cb -0.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.05 2ww9 h PRO 30 CO -0.05 0.56 -0.30 -0.09 -0.23 0.00 0.00 178.00 177.89 2ww9 h ARG 31 N 0.00 0.91 -0.48 0.86 9.65 -1.74 -3.09 114.38 120.50 2ww9 h ARG 31 Ca -0.01 -0.45 -0.09 0.00 -1.10 0.00 0.00 59.98 58.34 2ww9 h ARG 31 Cb 1.16 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.71 2ww9 h ARG 31 CO 0.07 1.10 -0.06 0.00 2.80 0.00 0.00 179.97 183.89 2ww9 h ALA 32 N 0.79 1.00 -0.60 2.80 0.00 -0.90 -0.49 119.26 121.86 2ww9 h ALA 32 Ca 0.08 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 2ww9 h ALA 32 Cb 0.89 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2ww9 h ALA 32 CO 0.08 0.60 0.00 0.28 0.00 0.00 0.00 179.25 180.22 2ww9 h VAL 33 N 0.76 1.27 -0.48 0.00 2.07 -1.44 -1.57 116.25 116.86 2ww9 h VAL 33 Ca 0.14 -1.15 -0.10 0.00 0.82 0.00 0.00 66.70 66.41 2ww9 h VAL 33 Cb 0.54 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2ww9 h VAL 33 CO 0.03 0.42 -0.10 0.50 0.02 0.00 0.00 177.57 178.43 2ww9 h LYS 34 N 0.95 0.88 -0.74 1.57 3.64 -1.40 -1.76 116.57 119.70 2ww9 h LYS 34 Ca 0.17 -0.30 -0.06 0.00 -1.27 0.00 0.00 60.65 59.19 2ww9 h LYS 34 Cb 0.56 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 2ww9 h LYS 34 CO 0.03 0.94 0.23 0.93 -2.27 0.00 0.00 179.45 179.31 2ww9 h GLU 35 N 0.79 1.16 -0.39 1.90 4.39 -0.89 -2.13 114.58 119.41 2ww9 h GLU 35 Ca 0.13 -0.25 -0.11 0.00 0.34 0.00 0.00 59.36 59.47 2ww9 h GLU 35 Cb 0.62 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 2ww9 h GLU 35 CO 0.04 0.99 -0.21 0.82 -1.16 0.00 0.00 179.01 179.48 2ww9 h ILE 36 N 1.11 1.27 -0.62 3.13 2.04 -1.14 -1.32 117.51 121.97 2ww9 h ILE 36 Ca 0.24 -1.32 -0.06 0.00 1.00 0.00 0.00 64.86 64.72 2ww9 h ILE 36 Cb 0.31 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 2ww9 h ILE 36 CO -0.01 0.44 0.17 0.50 0.00 0.00 0.00 178.15 179.25 2ww9 h LYS 37 N 0.67 0.99 0.00 2.37 3.64 -0.92 -1.25 116.57 122.07 2ww9 h LYS 37 Ca 0.09 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 2ww9 h LYS 37 Cb 0.72 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2ww9 h LYS 37 CO 0.06 0.89 -0.78 0.36 -2.27 0.00 0.00 179.45 177.71 2ww9 n LYS 38 N -4.34 0.08 -0.02 1.90 -0.00 -0.84 -2.32 118.16 112.62 2ww9 n LYS 38 Ca 0.04 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.18 2ww9 n LYS 38 Cb 0.23 -1.53 -0.09 0.00 -0.00 0.00 0.00 35.03 33.64 2ww9 n LYS 38 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 2ww9 h PHE 39 N 0.00 0.68 0.00 5.58 0.05 -1.12 -2.97 116.94 119.16 2ww9 h PHE 39 Ca 0.00 -0.32 -0.02 0.00 3.82 0.00 0.00 57.97 61.45 2ww9 h PHE 39 Cb 0.57 -0.10 -0.00 0.00 2.00 0.00 0.00 35.95 38.42 2ww9 h PHE 39 CO 0.00 1.11 -0.10 0.00 -0.18 0.00 0.00 178.31 179.13 2ww9 h ALA 40 N 0.43 0.99 -0.35 2.45 0.00 -1.31 -1.90 119.26 119.57 2ww9 h ALA 40 Ca -0.05 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 2ww9 h ALA 40 Cb 1.20 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 2ww9 h ALA 40 CO 0.11 0.13 -0.18 -0.22 0.00 0.00 0.00 179.25 179.09 2ww9 h LYS 41 N 0.00 0.74 -0.17 0.00 3.64 -1.49 -2.36 116.57 116.93 2ww9 h LYS 41 Ca -0.00 -0.33 -0.12 0.00 -1.27 0.00 0.00 60.65 58.93 2ww9 h LYS 41 Cb 0.74 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 2ww9 h LYS 41 CO 0.01 0.94 -0.34 -0.07 -2.27 0.00 0.00 179.45 177.72 2ww9 h LEU 42 N 0.52 0.60 -0.31 5.20 3.38 -1.30 -1.60 115.31 121.81 2ww9 h LEU 42 Ca 0.08 -0.55 -0.05 0.00 0.09 0.00 0.00 57.88 57.45 2ww9 h LEU 42 Cb 0.73 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2ww9 h LEU 42 CO 0.05 1.04 0.00 0.45 0.09 0.00 0.00 178.44 180.08 2ww9 h HIS 43 N 0.19 0.59 0.00 1.13 3.86 -1.42 -3.23 115.15 116.26 2ww9 h HIS 43 Ca 0.01 -0.10 -0.12 0.00 -1.16 0.00 0.00 60.37 58.99 2ww9 h HIS 43 Cb 0.94 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 29.24 2ww9 h HIS 43 CO 0.09 0.67 -0.88 1.98 0.86 0.00 0.00 177.93 180.66 2ww9 h MET 44 N 0.34 0.00 -2.74 2.45 4.05 -1.52 -3.48 114.93 114.02 2ww9 h MET 44 Ca 0.09 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.43 2ww9 h MET 44 Cb 0.43 0.00 0.04 0.00 -0.80 0.00 0.00 31.60 31.27 2ww9 h MET 44 CO 0.02 0.39 -0.17 0.41 0.23 0.00 0.00 176.91 177.78 2ww9 n GLY 45 N 1.29 0.30 3.49 1.39 0.00 -0.63 -5.06 105.19 105.97 2ww9 n GLY 45 Ca -0.03 -0.36 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 2ww9 n GLY 45 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2ww9 s THR 46 N -3.08 0.87 0.00 2.61 -1.32 -1.03 -5.07 115.64 108.61 2ww9 s THR 46 Ca 0.02 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.50 2ww9 s THR 46 Cb -0.01 -2.54 0.00 0.00 -1.51 0.00 0.00 72.50 68.44 2ww9 s THR 46 CO 0.17 0.00 0.00 -0.90 -2.21 0.00 0.00 174.62 171.68 2ww9 n ASP 47 N -1.00 0.00 -4.76 8.08 5.75 -1.26 -4.84 116.55 118.51 2ww9 n ASP 47 Ca -0.05 0.00 -0.38 0.00 -0.01 0.00 0.00 54.79 54.36 2ww9 n ASP 47 Cb 0.66 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.76 2ww9 n ASP 47 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2ww9 s ASP 48 N -1.00 5.79 -0.10 -1.12 -1.08 -1.26 -4.87 116.67 113.03 2ww9 s ASP 48 Ca 0.00 2.53 0.03 0.00 -0.52 0.00 0.00 52.55 54.58 2ww9 s ASP 48 Cb 0.00 -2.62 0.01 0.00 -1.46 0.00 0.00 42.92 38.85 2ww9 s ASP 48 CO 0.00 -1.19 -0.18 -0.69 0.52 0.00 0.00 175.17 173.63 2ww9 s VAL 49 N -1.42 1.64 0.04 1.11 1.01 -1.26 -4.59 120.40 116.93 2ww9 s VAL 49 Ca 0.67 -0.75 -0.27 0.00 0.00 0.00 0.00 61.98 61.62 2ww9 s VAL 49 Cb -0.34 -1.47 -0.17 0.00 0.00 0.00 0.00 36.38 34.40 2ww9 s VAL 49 CO 0.41 0.47 1.45 -0.09 0.00 0.00 0.00 175.10 177.34 2ww9 h ARG 50 N 7.09 -0.50 -4.89 2.72 9.65 -1.87 -3.49 114.38 123.09 2ww9 h ARG 50 Ca -0.28 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.64 2ww9 h ARG 50 Cb 1.20 0.11 -0.07 0.00 -1.39 0.00 0.00 29.97 29.83 2ww9 h ARG 50 CO 0.49 -0.24 -1.22 1.28 2.80 0.00 0.00 179.97 183.08 2ww9 n LEU 51 N -5.24 -6.66 -4.91 3.80 4.77 -1.26 -5.01 117.00 102.50 2ww9 n LEU 51 Ca -0.11 1.75 -0.28 0.00 -0.03 0.00 0.00 56.01 57.35 2ww9 n LEU 51 Cb 0.26 -3.14 0.05 0.00 -2.33 0.00 0.00 43.42 38.26 2ww9 n LEU 51 CO 0.34 -3.38 0.64 0.00 -1.33 0.00 0.00 177.39 173.66 2ww9 s ALA 52 N -1.04 3.08 -1.32 -1.18 0.00 -1.21 -4.95 121.76 115.13 2ww9 s ALA 52 Ca -0.14 -0.62 0.18 0.00 0.00 0.00 0.00 51.96 51.38 2ww9 s ALA 52 Cb 0.01 -2.77 0.86 0.00 0.00 0.00 0.00 23.12 21.22 2ww9 s ALA 52 CO 0.73 -1.09 1.54 -0.35 0.00 0.00 0.00 175.76 176.59 2ww9 n PRO 53 N -2.86 0.19 -0.09 0.00 -0.04 -1.26 -2.41 135.00 128.54 2ww9 n PRO 53 Ca 0.06 0.14 -0.12 0.00 -0.04 0.00 0.00 63.50 63.54 2ww9 n PRO 53 Cb 0.58 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.50 2ww9 n PRO 53 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2ww9 h GLU 54 N 0.00 0.49 -0.05 0.54 4.81 -1.94 -1.87 114.58 116.56 2ww9 h GLU 54 Ca 0.00 -0.18 -0.18 0.00 -0.13 0.00 0.00 59.36 58.87 2ww9 h GLU 54 Cb 0.20 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2ww9 h GLU 54 CO 0.00 0.70 -0.74 1.25 -0.73 0.00 0.00 179.01 179.49 2ww9 h LEU 55 N 0.23 0.34 -0.66 1.64 5.85 -1.79 -1.79 115.31 119.14 2ww9 h LEU 55 Ca 0.07 -0.23 -0.10 0.00 0.84 0.00 0.00 57.88 58.46 2ww9 h LEU 55 Cb 0.52 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 2ww9 h LEU 55 CO 0.02 0.97 -0.00 -1.13 -0.34 0.00 0.00 178.44 177.96 2ww9 h ASN 56 N 0.19 1.02 -0.59 1.25 -1.24 -1.49 -1.85 115.58 112.86 2ww9 h ASN 56 Ca -0.03 -0.29 -0.08 0.00 0.71 0.00 0.00 56.30 56.62 2ww9 h ASN 56 Cb 1.31 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 40.07 2ww9 h ASN 56 CO 0.12 1.07 0.08 -0.61 -1.29 0.00 0.00 177.43 176.80 2ww9 h GLN 57 N 0.95 1.01 -0.16 6.67 5.75 -1.30 -2.81 115.11 125.23 2ww9 h GLN 57 Ca 0.17 -0.27 -0.04 0.00 -0.15 0.00 0.00 58.65 58.36 2ww9 h GLN 57 Cb 0.55 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 2ww9 h GLN 57 CO 0.03 0.94 -0.09 0.00 -2.65 0.00 0.00 178.83 177.07 2ww9 h ALA 58 N 1.13 1.56 0.00 3.38 0.00 -0.61 -1.42 119.26 123.30 2ww9 h ALA 58 Ca 0.19 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2ww9 h ALA 58 Cb 0.43 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2ww9 h ALA 58 CO 0.01 0.32 -1.75 1.51 0.00 0.00 0.00 179.25 179.35 2ww9 n ILE 59 N -4.31 0.51 0.82 0.00 3.06 -0.76 -4.26 119.36 114.42 2ww9 n ILE 59 Ca -0.01 -0.59 0.10 0.00 -2.50 0.00 0.00 62.75 59.75 2ww9 n ILE 59 Cb 0.24 -0.25 0.07 0.00 0.54 0.00 0.00 39.64 40.24 2ww9 n ILE 59 CO 0.00 0.00 0.00 0.79 -2.50 0.00 0.00 176.55 174.84 2ww9 n TRP 60 N -2.52 0.00 -0.14 9.51 7.02 -1.06 -4.11 117.44 126.14 2ww9 n TRP 60 Ca -0.08 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.29 2ww9 n TRP 60 Cb 0.69 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.56 2ww9 n TRP 60 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 2ww9 h LYS 61 N 3.57 0.71 0.00 -0.99 2.10 -1.44 -3.17 116.57 117.36 2ww9 h LYS 61 Ca 0.00 -0.24 -0.04 0.00 -2.00 0.00 0.00 60.65 58.37 2ww9 h LYS 61 Cb 0.79 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.05 2ww9 h LYS 61 CO 0.00 0.81 -1.53 -2.13 -2.00 0.00 0.00 179.45 174.60 2ww9 n ARG 62 N -4.43 0.63 -1.12 0.07 3.00 -1.26 -5.02 116.66 108.53 2ww9 n ARG 62 Ca -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 2ww9 n ARG 62 Cb 0.30 -1.68 0.00 0.00 0.00 0.00 0.00 32.46 31.08 2ww9 n ARG 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2ww9 n GLY 63 N 1.27 -0.16 5.00 5.14 0.00 -0.83 -4.51 105.19 111.09 2ww9 n GLY 63 Ca -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2ww9 n GLY 63 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ww9 n VAL 64 N -0.58 0.00 -0.26 1.61 0.31 -1.26 -4.56 118.33 113.59 2ww9 n VAL 64 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.40 2ww9 n VAL 64 Cb 0.20 0.00 0.21 0.00 -0.91 0.00 0.00 33.84 33.34 2ww9 n VAL 64 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2ww9 h LYS 65 N 0.00 0.32 0.00 5.55 3.64 -1.93 -3.39 116.57 120.77 2ww9 h LYS 65 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2ww9 h LYS 65 Cb 0.00 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2ww9 h LYS 65 CO 0.00 0.21 0.00 0.41 -2.27 0.00 0.00 179.45 177.80 2ww9 n GLY 66 N -1.35 0.94 3.15 5.01 0.00 -1.26 -5.08 105.19 106.61 2ww9 n GLY 66 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 2ww9 n GLY 66 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ww9 s VAL 67 N -1.55 0.05 -0.69 1.61 -7.23 -1.26 -1.97 120.40 109.35 2ww9 s VAL 67 Ca 0.00 -0.38 -0.03 0.00 -1.81 0.00 0.00 61.98 59.76 2ww9 s VAL 67 Cb 0.00 -0.45 0.23 0.00 0.56 0.00 0.00 36.38 36.72 2ww9 s VAL 67 CO 0.00 -0.21 2.34 -1.84 -0.31 0.00 0.00 175.10 175.08 2ww9 n GLU 68 N 1.95 2.64 0.00 4.82 0.28 -1.26 -5.01 120.64 124.06 2ww9 n GLU 68 Ca -0.19 -3.04 0.00 0.00 -0.16 0.00 0.00 57.16 53.77 2ww9 n GLU 68 Cb 0.57 -2.22 0.00 0.00 1.43 0.00 0.00 31.44 31.22 2ww9 n GLU 68 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2ww9 n TYR 69 N 0.07 0.00 -1.80 -1.84 4.01 -1.26 -4.63 117.16 111.70 2ww9 n TYR 69 Ca 0.52 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.85 2ww9 n TYR 69 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 2ww9 n TYR 69 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 2ww9 s ARG 70 N 0.00 4.04 0.03 -0.72 1.70 -1.26 -4.72 118.95 118.02 2ww9 s ARG 70 Ca 0.00 2.55 0.07 0.00 -0.47 0.00 0.00 55.73 57.88 2ww9 s ARG 70 Cb 0.00 -2.92 -0.02 0.00 -0.57 0.00 0.00 34.95 31.44 2ww9 s ARG 70 CO 0.00 -0.58 -0.19 -0.48 -1.08 0.00 0.00 175.30 172.97 2ww9 s LEU 71 N -2.19 2.14 0.16 -1.89 0.05 -1.23 -4.97 118.68 110.75 2ww9 s LEU 71 Ca 0.54 -0.48 -0.14 0.00 0.05 0.00 0.00 54.13 54.11 2ww9 s LEU 71 Cb -0.46 -0.92 -0.07 0.00 -2.05 0.00 0.00 46.19 42.69 2ww9 s LEU 71 CO 0.62 0.16 0.55 -0.13 -0.55 0.00 0.00 176.35 177.00 2ww9 s ARG 72 N -1.02 3.96 -0.05 1.48 0.52 -1.26 -2.08 118.95 120.49 2ww9 s ARG 72 Ca 0.07 0.46 -0.11 0.00 -0.52 0.00 0.00 55.73 55.63 2ww9 s ARG 72 Cb -0.08 -2.90 0.02 0.00 0.52 0.00 0.00 34.95 32.51 2ww9 s ARG 72 CO 0.01 0.46 0.25 -0.51 0.02 0.00 0.00 175.30 175.53 2ww9 s LEU 73 N -2.06 1.08 -0.08 2.53 1.43 -0.69 -5.00 118.68 115.88 2ww9 s LEU 73 Ca 0.39 0.22 0.05 0.00 -1.03 0.00 0.00 54.13 53.75 2ww9 s LEU 73 Cb -0.15 0.97 -0.01 0.00 0.03 0.00 0.00 46.19 47.03 2ww9 s LEU 73 CO 0.19 -0.27 -0.23 -0.60 0.23 0.00 0.00 176.35 175.67 2ww9 s ARG 74 N -0.68 2.83 -0.06 1.70 3.52 -1.17 -2.26 118.95 122.84 2ww9 s ARG 74 Ca -0.08 -0.87 -0.06 0.00 -0.13 0.00 0.00 55.73 54.60 2ww9 s ARG 74 Cb -0.04 -2.27 0.02 0.00 -1.56 0.00 0.00 34.95 31.09 2ww9 s ARG 74 CO 0.02 0.29 0.17 -1.50 -0.81 0.00 0.00 175.30 173.47 2ww9 s ILE 75 N 0.07 -0.00 0.28 4.11 2.07 -0.99 -3.74 121.20 122.99 2ww9 s ILE 75 Ca -0.10 0.01 0.02 0.00 -1.41 0.00 0.00 60.65 59.17 2ww9 s ILE 75 Cb -0.16 -0.24 -0.05 0.00 0.13 0.00 0.00 42.46 42.14 2ww9 s ILE 75 CO 0.06 0.00 0.11 -0.55 -1.91 0.00 0.00 174.94 172.66 2ww9 s SER 76 N 0.15 1.38 0.22 4.50 0.15 -1.24 -2.23 113.70 116.62 2ww9 s SER 76 Ca -0.01 -1.45 0.01 0.00 0.70 0.00 0.00 55.95 55.21 2ww9 s SER 76 Cb -0.02 0.24 -0.05 0.00 -1.71 0.00 0.00 66.02 64.48 2ww9 s SER 76 CO -0.00 -0.78 0.05 0.00 1.20 0.00 0.00 173.24 173.71 2ww9 s ARG 77 N -3.96 1.26 0.00 5.44 3.03 -1.26 -4.19 118.95 119.27 2ww9 s ARG 77 Ca 0.37 -1.65 0.00 0.00 2.03 0.00 0.00 55.73 56.48 2ww9 s ARG 77 Cb 0.07 -0.25 0.00 0.00 -1.03 0.00 0.00 34.95 33.74 2ww9 s ARG 77 CO 0.15 -0.22 0.00 1.17 -1.13 0.00 0.00 175.30 175.27 2ww9 n LYS 78 N -0.35 0.00 0.00 3.89 3.00 -1.20 -4.85 118.16 118.65 2ww9 n LYS 78 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 2ww9 n LYS 78 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.68 2ww9 n LYS 78 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2ww9 n ARG 79 N 1.18 0.00 -0.13 1.64 3.00 -1.26 -5.07 116.66 116.02 2ww9 n ARG 79 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.78 2ww9 n ARG 79 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.47 2ww9 n ARG 79 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 2ww9 h ASN 80 N 0.00 0.40 0.00 6.15 4.21 -1.94 -3.48 115.58 120.92 2ww9 h ASN 80 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2ww9 h ASN 80 Cb 0.00 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.12 2ww9 h ASN 80 CO 0.00 0.29 0.00 1.21 -1.29 0.00 0.00 177.43 177.64 2ww9 n GLU 81 N -4.85 0.00 -0.25 0.81 4.07 -1.26 -4.66 120.64 114.50 2ww9 n GLU 81 Ca 0.01 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.04 2ww9 n GLU 81 Cb 0.06 0.00 0.05 0.00 -0.06 0.00 0.00 31.44 31.48 2ww9 n GLU 81 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 2ww9 h GLU 82 N 0.00 1.06 -0.43 5.31 9.09 -2.00 -3.19 114.58 124.43 2ww9 h GLU 82 Ca 0.00 -0.21 -0.02 0.00 0.05 0.00 0.00 59.36 59.18 2ww9 h GLU 82 Cb 0.00 -0.16 -0.02 0.00 -1.65 0.00 0.00 28.75 26.92 2ww9 h GLU 82 CO 0.00 0.90 0.20 1.49 0.05 0.00 0.00 179.01 181.65 2ww9 h GLU 83 N 1.01 0.62 -0.76 1.06 4.57 -2.01 -3.33 114.58 115.73 2ww9 h GLU 83 Ca 0.23 -0.10 -0.29 0.00 -1.18 0.00 0.00 59.36 58.02 2ww9 h GLU 83 Cb 0.26 -0.11 -0.21 0.00 -0.16 0.00 0.00 28.75 28.54 2ww9 h GLU 83 CO -0.01 0.54 -0.63 -3.47 -1.18 0.00 0.00 179.01 174.26 2ww9 n ASP 84 N -4.66 -2.33 -4.74 1.04 2.03 -1.26 -5.13 116.55 101.50 2ww9 n ASP 84 Ca 0.00 -3.04 -0.42 0.00 0.52 0.00 0.00 54.79 51.86 2ww9 n ASP 84 Cb 0.12 1.21 -0.01 0.00 -0.72 0.00 0.00 41.12 41.72 2ww9 n ASP 84 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ww9 n ALA 85 N 2.00 2.11 -3.29 -1.67 0.00 -1.21 -4.91 120.51 113.54 2ww9 n ALA 85 Ca 0.15 0.36 -0.38 0.00 0.00 0.00 0.00 53.44 53.57 2ww9 n ALA 85 Cb 0.58 -2.39 -0.12 0.00 0.00 0.00 0.00 19.45 17.52 2ww9 n ALA 85 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2ww9 s LYS 86 N -1.45 2.58 -0.31 0.00 -0.14 -1.26 -4.98 119.74 114.17 2ww9 s LYS 86 Ca 0.58 -1.22 0.01 0.00 -1.36 0.00 0.00 55.97 53.98 2ww9 s LYS 86 Cb -0.51 -3.45 0.10 0.00 -1.68 0.00 0.00 37.83 32.28 2ww9 s LYS 86 CO 0.58 -0.69 0.07 1.21 -0.76 0.00 0.00 175.35 175.76 2ww9 s ASN 87 N 1.44 4.28 0.26 2.83 2.47 -1.26 -3.23 114.94 121.73 2ww9 s ASN 87 Ca -0.01 -1.79 -0.29 0.00 0.42 0.00 0.00 52.86 51.18 2ww9 s ASN 87 Cb -0.20 -1.17 -0.09 0.00 -1.45 0.00 0.00 41.25 38.34 2ww9 s ASN 87 CO 0.02 -0.39 1.15 -2.84 -3.72 0.00 0.00 177.10 171.32 2ww9 s PRO 88 N 1.34 4.57 -0.41 0.43 0.02 -1.26 -2.93 135.00 136.76 2ww9 s PRO 88 Ca 0.09 1.87 0.06 0.00 0.02 0.00 0.00 61.00 63.04 2ww9 s PRO 88 Cb -0.18 -3.19 0.22 0.00 0.02 0.00 0.00 34.50 31.37 2ww9 s PRO 88 CO -0.17 0.09 0.48 -0.11 -0.33 0.00 0.00 177.00 176.96 2ww9 n LEU 89 N 1.49 -0.42 0.00 -5.54 -0.00 -1.26 -3.70 117.00 107.57 2ww9 n LEU 89 Ca 0.00 -4.41 0.00 0.00 -0.00 0.00 0.00 56.01 51.60 2ww9 n LEU 89 Cb 0.44 0.62 0.00 0.00 -0.00 0.00 0.00 43.42 44.49 2ww9 n LEU 89 CO 0.55 1.98 0.00 2.22 -0.00 0.00 0.00 177.39 182.14 2ww9 n PHE 90 N 2.04 0.00 -5.02 1.96 -1.74 -1.25 -3.30 117.46 110.16 2ww9 n PHE 90 Ca 0.24 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 56.82 2ww9 n PHE 90 Cb 0.52 0.00 -0.17 0.00 1.52 0.00 0.00 39.48 41.35 2ww9 n PHE 90 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2ww9 s SER 91 N 2.00 2.77 0.00 5.98 0.15 -1.26 -3.02 113.70 120.32 2ww9 s SER 91 Ca 0.00 -0.50 0.07 0.00 0.70 0.00 0.00 55.95 56.22 2ww9 s SER 91 Cb 0.00 -1.27 0.06 0.00 -1.71 0.00 0.00 66.02 63.10 2ww9 s SER 91 CO 0.00 0.12 0.73 0.00 1.20 0.00 0.00 173.24 175.29