#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b99 n ASN 7 N 0.00 3.95 -2.00 6.55 5.03 -1.26 -4.20 115.26 123.34 1b99 n ASN 7 Ca 0.00 -2.07 -0.12 0.00 0.87 0.00 0.00 54.58 53.26 1b99 n ASN 7 Cb 0.00 -0.49 0.24 0.00 -1.02 0.00 0.00 39.78 38.51 1b99 n ASN 7 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1b99 n LYS 8 N 1.51 3.04 -2.89 3.52 3.00 -1.26 -3.13 118.16 121.95 1b99 n LYS 8 Ca 0.24 -2.80 -0.37 0.00 -0.00 0.00 0.00 58.31 55.38 1b99 n LYS 8 Cb 0.65 -2.13 -0.06 0.00 0.00 0.00 0.00 35.03 33.49 1b99 n LYS 8 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1b99 s GLU 9 N -2.87 4.52 0.11 1.64 2.12 -1.24 -4.83 118.70 118.15 1b99 s GLU 9 Ca 0.51 1.20 0.06 0.00 0.36 0.00 0.00 54.97 57.10 1b99 s GLU 9 Cb 0.42 -2.92 -0.04 0.00 0.26 0.00 0.00 34.13 31.85 1b99 s GLU 9 CO 0.12 0.37 -0.15 1.03 -0.54 0.00 0.00 175.26 176.08 1b99 s ARG 10 N -1.84 1.00 0.05 4.30 0.52 -1.26 -0.33 118.95 121.39 1b99 s ARG 10 Ca 0.46 -1.17 -0.00 0.00 -0.52 0.00 0.00 55.73 54.50 1b99 s ARG 10 Cb -0.19 -0.98 -0.03 0.00 0.52 0.00 0.00 34.95 34.26 1b99 s ARG 10 CO 0.24 0.20 -0.04 -0.08 0.02 0.00 0.00 175.30 175.65 1b99 s THR 11 N -1.78 0.28 -0.23 0.02 -1.32 -0.69 -4.73 115.64 107.19 1b99 s THR 11 Ca 0.06 -1.57 -0.05 0.00 -1.21 0.00 0.00 61.69 58.92 1b99 s THR 11 Cb -0.07 -1.18 -0.02 0.00 -1.51 0.00 0.00 72.50 69.72 1b99 s THR 11 CO 0.03 -0.82 0.01 0.12 -2.21 0.00 0.00 174.62 171.75 1b99 s PHE 12 N -3.13 3.02 0.18 9.09 5.36 -1.26 -2.36 117.98 128.87 1b99 s PHE 12 Ca 0.01 -0.69 0.09 0.00 -0.96 0.00 0.00 56.93 55.38 1b99 s PHE 12 Cb 0.02 -2.16 -0.04 0.00 -0.34 0.00 0.00 43.02 40.50 1b99 s PHE 12 CO -0.06 -0.45 -0.11 -0.51 -1.46 0.00 0.00 175.22 172.62 1b99 s LEU 13 N 1.52 2.90 -0.20 6.12 1.43 -0.25 -2.07 118.68 128.12 1b99 s LEU 13 Ca 0.06 -0.60 -0.05 0.00 -1.03 0.00 0.00 54.13 52.51 1b99 s LEU 13 Cb -0.15 -1.60 0.10 0.00 0.03 0.00 0.00 46.19 44.57 1b99 s LEU 13 CO -0.00 0.11 0.37 0.00 0.23 0.00 0.00 176.35 177.06 1b99 s ALA 14 N -1.66 -1.01 -0.20 4.21 0.00 -0.33 -1.34 121.76 121.43 1b99 s ALA 14 Ca 0.24 1.17 -0.29 0.00 0.00 0.00 0.00 51.96 53.07 1b99 s ALA 14 Cb -0.09 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.63 1b99 s ALA 14 CO 0.14 -0.93 1.12 0.08 0.00 0.00 0.00 175.76 176.17 1b99 s VAL 15 N 2.55 4.54 0.79 0.00 1.01 -0.28 -1.07 120.40 127.93 1b99 s VAL 15 Ca 0.04 1.85 -0.12 0.00 0.00 0.00 0.00 61.98 63.76 1b99 s VAL 15 Cb -0.13 -4.20 0.06 0.00 0.00 0.00 0.00 36.38 32.11 1b99 s VAL 15 CO -0.13 -0.16 1.11 -0.54 0.00 0.00 0.00 175.10 175.38 1b99 s LYS 16 N 3.25 2.16 0.34 2.72 1.02 0.10 -2.22 119.74 127.11 1b99 s LYS 16 Ca 0.48 0.51 0.13 0.00 0.02 0.00 0.00 55.97 57.11 1b99 s LYS 16 Cb -0.18 -1.94 1.09 0.00 -0.52 0.00 0.00 37.83 36.29 1b99 s LYS 16 CO 0.10 -1.54 1.53 -2.30 -0.92 0.00 0.00 175.35 172.22 1b99 n PRO 17 N -3.35 -0.07 -0.16 -1.68 -0.02 -1.23 -0.30 135.00 128.19 1b99 n PRO 17 Ca 0.07 1.39 -0.11 0.00 -2.02 0.00 0.00 63.50 62.83 1b99 n PRO 17 Cb 0.57 -2.38 0.01 0.00 -0.02 0.00 0.00 33.50 31.68 1b99 n PRO 17 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1b99 h ASP 18 N 0.00 1.02 -0.51 2.55 2.03 -1.88 0.29 116.42 119.92 1b99 h ASP 18 Ca 0.74 -0.38 -0.13 0.00 -0.73 0.00 0.00 57.03 56.53 1b99 h ASP 18 Cb 1.81 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 40.02 1b99 h ASP 18 CO -0.81 1.17 -0.18 1.23 -1.03 0.00 0.00 179.24 179.62 1b99 h GLY 19 N 0.89 1.11 0.80 7.15 0.00 -0.81 -1.17 103.07 111.03 1b99 h GLY 19 Ca 0.12 -0.95 -0.10 0.00 0.00 0.00 0.00 47.33 46.39 1b99 h GLY 19 CO 0.06 0.87 -0.30 -2.08 0.00 0.00 0.00 176.54 175.10 1b99 h VAL 20 N 0.89 1.36 0.00 4.60 2.07 -1.21 -1.02 116.25 122.94 1b99 h VAL 20 Ca 0.12 -1.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.06 1b99 h VAL 20 Cb 0.76 2.01 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 1b99 h VAL 20 CO 0.06 0.47 -0.10 0.00 0.02 0.00 0.00 177.57 178.02 1b99 h ALA 21 N 0.55 1.28 -0.44 1.67 0.00 -0.35 -2.30 119.26 119.66 1b99 h ALA 21 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1b99 h ALA 21 Cb 0.89 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1b99 h ALA 21 CO 0.07 0.12 0.00 0.54 0.00 0.00 0.00 179.25 179.98 1b99 n ARG 22 N -3.60 2.21 -2.58 0.00 1.74 -0.45 -4.96 116.66 109.02 1b99 n ARG 22 Ca -0.02 -1.86 -0.12 0.00 -0.77 0.00 0.00 57.85 55.08 1b99 n ARG 22 Cb 0.22 -1.44 0.01 0.00 -1.02 0.00 0.00 32.46 30.24 1b99 n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1b99 n GLY 23 N 1.35 -0.00 0.51 -0.13 0.00 -0.87 -4.95 105.19 101.10 1b99 n GLY 23 Ca 0.18 -0.31 0.11 0.00 0.00 0.00 0.00 46.02 46.00 1b99 n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b99 n LEU 24 N -2.18 2.06 0.03 0.99 4.77 -0.40 -4.62 117.00 117.65 1b99 n LEU 24 Ca -0.08 -0.77 -0.12 0.00 -0.03 0.00 0.00 56.01 55.01 1b99 n LEU 24 Cb 0.57 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.61 1b99 n LEU 24 CO 0.24 0.38 0.61 0.58 -1.33 0.00 0.00 177.39 177.87 1b99 h VAL 25 N 2.50 0.21 -0.75 4.08 2.07 -1.87 -1.02 116.25 121.48 1b99 h VAL 25 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1b99 h VAL 25 Cb 0.76 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1b99 h VAL 25 CO 0.00 0.00 0.35 1.23 0.02 0.00 0.00 177.57 179.17 1b99 h GLY 26 N -0.49 1.15 0.98 2.17 0.00 -1.97 -0.95 103.07 103.96 1b99 h GLY 26 Ca 0.07 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 1b99 h GLY 26 CO -0.34 0.54 0.25 -2.09 0.00 0.00 0.00 176.54 174.91 1b99 h GLU 27 N 1.07 0.68 -0.37 4.80 4.57 -1.74 -0.92 114.58 122.67 1b99 h GLU 27 Ca 0.26 -0.09 -0.07 0.00 -1.18 0.00 0.00 59.36 58.28 1b99 h GLU 27 Cb 0.13 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 1b99 h GLU 27 CO -0.03 0.54 -0.05 0.82 -1.18 0.00 0.00 179.01 179.11 1b99 h ILE 28 N 0.63 1.27 -0.82 2.32 2.04 -0.82 -2.56 117.51 119.57 1b99 h ILE 28 Ca 0.17 -1.10 -0.03 0.00 1.00 0.00 0.00 64.86 64.90 1b99 h ILE 28 Cb 0.07 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1b99 h ILE 28 CO -0.03 0.36 0.39 0.40 0.00 0.00 0.00 178.15 179.28 1b99 h ILE 29 N 0.49 1.26 -0.62 -0.67 2.04 -1.03 -2.78 117.51 116.21 1b99 h ILE 29 Ca 0.10 -0.72 -0.04 0.00 1.00 0.00 0.00 64.86 65.20 1b99 h ILE 29 Cb 0.55 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1b99 h ILE 29 CO 0.03 0.31 0.24 0.00 0.00 0.00 0.00 178.15 178.73 1b99 h ALA 30 N 1.21 1.26 -0.75 1.87 0.00 -1.06 -1.80 119.26 120.00 1b99 h ALA 30 Ca 0.28 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1b99 h ALA 30 Cb 0.12 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1b99 h ALA 30 CO -0.04 0.54 0.45 0.00 0.00 0.00 0.00 179.25 180.21 1b99 h ARG 31 N 0.89 1.01 -0.14 0.00 3.08 -1.17 -1.08 114.38 116.97 1b99 h ARG 31 Ca 0.21 -0.09 -0.17 0.00 0.07 0.00 0.00 59.98 60.00 1b99 h ARG 31 Cb 0.19 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1b99 h ARG 31 CO -0.02 0.71 -0.63 1.88 -1.07 0.00 0.00 179.97 180.84 1b99 h TYR 32 N 1.02 0.64 -0.38 3.04 0.05 -1.39 -2.72 116.97 117.22 1b99 h TYR 32 Ca 0.27 -0.25 -0.12 0.00 0.05 0.00 0.00 58.73 58.68 1b99 h TYR 32 Cb -0.04 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.57 1b99 h TYR 32 CO -0.01 0.99 -0.23 0.93 -1.05 0.00 0.00 178.16 178.79 1b99 h GLU 33 N 0.36 0.76 -0.55 4.88 5.08 -1.14 -2.65 114.58 121.32 1b99 h GLU 33 Ca -0.01 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 57.98 1b99 h GLU 33 Cb 1.18 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1b99 h GLU 33 CO 0.11 0.92 0.09 0.87 -1.00 0.00 0.00 179.01 180.00 1b99 h LYS 34 N 0.66 0.87 -0.60 2.33 1.57 -1.11 -2.72 116.57 117.58 1b99 h LYS 34 Ca 0.09 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.60 1b99 h LYS 34 Cb 0.74 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 1b99 h LYS 34 CO 0.06 0.82 0.11 -0.22 -0.57 0.00 0.00 179.45 179.65 1b99 h LYS 35 N 0.83 0.96 0.00 3.15 1.63 -1.28 -3.47 116.57 118.40 1b99 h LYS 35 Ca 0.17 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1b99 h LYS 35 Cb 0.37 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1b99 h LYS 35 CO 0.01 0.88 0.00 0.41 -3.45 0.00 0.00 179.45 177.30 1b99 n GLY 36 N -0.71 0.99 3.82 5.01 0.00 -1.02 -5.12 105.19 108.16 1b99 n GLY 36 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 1b99 n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b99 s PHE 37 N -1.73 3.48 -0.16 1.61 0.08 -1.07 -4.87 117.98 115.32 1b99 s PHE 37 Ca 0.00 1.42 -0.10 0.00 0.12 0.00 0.00 56.93 58.37 1b99 s PHE 37 Cb 0.00 -2.67 -0.05 0.00 -0.57 0.00 0.00 43.02 39.73 1b99 s PHE 37 CO 0.00 0.13 0.17 0.08 -0.10 0.00 0.00 175.22 175.50 1b99 s VAL 38 N -1.85 5.41 -0.66 -0.44 1.01 -0.45 -4.45 120.40 118.98 1b99 s VAL 38 Ca 0.52 0.27 -0.27 0.00 0.00 0.00 0.00 61.98 62.50 1b99 s VAL 38 Cb -0.13 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.79 1b99 s VAL 38 CO 0.18 0.50 1.49 -0.22 0.00 0.00 0.00 175.10 177.06 1b99 s LEU 39 N -0.18 3.26 0.24 3.92 2.96 -1.26 -0.31 118.68 127.31 1b99 s LEU 39 Ca 0.12 -0.03 0.23 0.00 -0.22 0.00 0.00 54.13 54.23 1b99 s LEU 39 Cb -0.12 -2.67 0.16 0.00 0.50 0.00 0.00 46.19 44.06 1b99 s LEU 39 CO 0.02 -1.97 1.24 0.58 -1.32 0.00 0.00 176.35 174.89 1b99 h VAL 40 N 6.38 0.00 -1.92 1.68 2.07 -0.96 -3.47 116.25 120.02 1b99 h VAL 40 Ca -0.27 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.33 1b99 h VAL 40 Cb 1.09 1.52 -0.21 0.00 -1.52 0.00 0.00 31.29 32.18 1b99 h VAL 40 CO 1.24 0.00 0.23 -0.83 0.02 0.00 0.00 177.57 178.23 1b99 s GLY 41 N -4.17 -0.50 -0.25 2.17 0.00 -1.13 -1.19 107.32 102.25 1b99 s GLY 41 Ca 0.03 1.75 -0.21 0.00 0.00 0.00 0.00 44.72 46.29 1b99 s GLY 41 CO 0.75 1.31 0.65 -2.27 0.00 0.00 0.00 173.10 173.54 1b99 s LEU 42 N -0.53 -0.60 -0.18 0.66 2.96 -1.26 -1.41 118.68 118.31 1b99 s LEU 42 Ca -0.05 1.35 -0.31 0.00 -0.22 0.00 0.00 54.13 54.90 1b99 s LEU 42 Cb -0.02 2.25 0.14 0.00 0.50 0.00 0.00 46.19 49.06 1b99 s LEU 42 CO 0.05 -0.23 1.14 -1.59 -1.32 0.00 0.00 176.35 174.39 1b99 s LYS 43 N 0.70 0.40 -0.04 1.98 -2.85 -0.67 -5.01 119.74 114.25 1b99 s LYS 43 Ca -0.03 -0.00 0.03 0.00 -1.00 0.00 0.00 55.97 54.97 1b99 s LYS 43 Cb -0.05 0.19 -0.03 0.00 -2.06 0.00 0.00 37.83 35.88 1b99 s LYS 43 CO -0.05 -0.15 -0.10 -1.14 0.10 0.00 0.00 175.35 174.02 1b99 s GLN 44 N -1.63 2.57 0.20 1.78 0.74 -1.26 -0.73 119.66 121.32 1b99 s GLN 44 Ca 0.05 -0.67 -0.23 0.00 0.05 0.00 0.00 55.36 54.56 1b99 s GLN 44 Cb -0.01 -2.47 0.05 0.00 1.10 0.00 0.00 33.01 31.68 1b99 s GLN 44 CO -0.04 0.63 0.72 -0.48 -0.55 0.00 0.00 175.29 175.57 1b99 s LEU 45 N -0.97 -0.37 -0.37 3.68 2.34 -0.51 -4.97 118.68 117.52 1b99 s LEU 45 Ca 0.13 -0.32 -0.10 0.00 0.06 0.00 0.00 54.13 53.90 1b99 s LEU 45 Cb -0.11 2.56 0.03 0.00 -0.56 0.00 0.00 46.19 48.11 1b99 s LEU 45 CO 0.03 -1.10 0.19 -0.69 -1.06 0.00 0.00 176.35 173.72 1b99 s VAL 46 N -3.72 4.49 0.50 1.48 1.01 -1.26 0.13 120.40 123.03 1b99 s VAL 46 Ca 0.07 -0.88 -0.23 0.00 0.00 0.00 0.00 61.98 60.95 1b99 s VAL 46 Cb -0.03 -3.50 -0.07 0.00 0.00 0.00 0.00 36.38 32.77 1b99 s VAL 46 CO -0.02 -0.22 1.23 -2.65 0.00 0.00 0.00 175.10 173.44 1b99 n PRO 47 N 4.98 1.63 -3.58 2.72 -0.02 -1.26 -5.02 135.00 134.45 1b99 n PRO 47 Ca -0.12 0.59 -0.23 0.00 -2.02 0.00 0.00 63.50 61.72 1b99 n PRO 47 Cb 0.46 -2.40 -0.01 0.00 -0.02 0.00 0.00 33.50 31.53 1b99 n PRO 47 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1b99 s THR 48 N -1.29 5.16 0.17 3.45 -1.32 -1.26 -4.54 115.64 116.00 1b99 s THR 48 Ca 0.68 -0.63 -0.16 0.00 -1.21 0.00 0.00 61.69 60.37 1b99 s THR 48 Cb -0.46 -3.86 0.07 0.00 -1.51 0.00 0.00 72.50 66.75 1b99 s THR 48 CO 0.53 -0.47 1.70 0.11 -2.21 0.00 0.00 174.62 174.27 1b99 h LYS 49 N 0.93 0.10 -0.67 7.08 1.57 -1.95 -0.07 116.57 123.55 1b99 h LYS 49 Ca -0.50 -0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.37 1b99 h LYS 49 Cb 1.22 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 33.43 1b99 h LYS 49 CO 0.61 0.07 0.29 -0.44 -0.57 0.00 0.00 179.45 179.41 1b99 h ASP 50 N 0.10 0.34 -0.15 0.86 3.32 -1.98 0.23 116.42 119.13 1b99 h ASP 50 Ca 0.20 0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.24 1b99 h ASP 50 Cb 0.28 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 1b99 h ASP 50 CO -0.33 0.18 -0.21 0.25 -1.72 0.00 0.00 179.24 177.41 1b99 h LEU 51 N 0.50 0.45 -0.88 1.55 5.85 -1.78 -0.78 115.31 120.22 1b99 h LEU 51 Ca 0.34 -0.52 0.03 0.00 0.84 0.00 0.00 57.88 58.58 1b99 h LEU 51 Cb 0.41 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.26 1b99 h LEU 51 CO -0.30 0.88 0.57 0.00 -0.34 0.00 0.00 178.44 179.24 1b99 h ALA 52 N 0.59 1.16 -0.30 1.25 0.00 -0.39 0.22 119.26 121.77 1b99 h ALA 52 Ca 0.02 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1b99 h ALA 52 Cb 0.78 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1b99 h ALA 52 CO 0.05 0.42 -0.20 0.93 0.00 0.00 0.00 179.25 180.45 1b99 h GLU 53 N 1.11 0.67 -0.50 0.00 5.08 -0.51 -0.95 114.58 119.48 1b99 h GLU 53 Ca 0.35 -0.32 -0.12 0.00 -1.00 0.00 0.00 59.36 58.28 1b99 h GLU 53 Cb -0.00 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1b99 h GLU 53 CO -0.12 0.91 -0.15 0.77 -1.00 0.00 0.00 179.01 179.43 1b99 h SER 54 N 0.42 0.97 -0.06 1.42 0.02 -0.81 -2.03 113.55 113.48 1b99 h SER 54 Ca 0.06 -0.33 0.01 0.00 -0.84 0.00 0.00 61.79 60.68 1b99 h SER 54 Cb 0.74 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1b99 h SER 54 CO 0.05 1.11 0.02 -0.74 -1.14 0.00 0.00 176.83 176.13 1b99 h HIS 55 N 0.85 0.03 -0.55 3.45 -0.00 -0.39 -2.44 115.15 116.11 1b99 h HIS 55 Ca 0.13 0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 60.32 1b99 h HIS 55 Cb 0.70 -0.01 -0.11 0.00 -0.00 0.00 0.00 27.41 28.00 1b99 h HIS 55 CO 0.04 0.02 0.23 0.66 -0.00 0.00 0.00 177.93 178.88 1b99 n TYR 56 N -5.08 1.79 -0.30 5.26 4.01 -0.38 -4.69 117.16 117.78 1b99 n TYR 56 Ca -0.06 -0.98 0.04 0.00 -0.16 0.00 0.00 57.90 56.75 1b99 n TYR 56 Cb 0.04 -0.56 0.13 0.00 -0.31 0.00 0.00 39.34 38.63 1b99 n TYR 56 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1b99 h ALA 57 N 2.33 0.62 -0.44 -0.72 0.00 -0.85 -0.17 119.26 120.03 1b99 h ALA 57 Ca 0.23 0.32 0.13 0.00 0.00 0.00 0.00 54.91 55.58 1b99 h ALA 57 Cb 1.92 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 20.30 1b99 h ALA 57 CO 0.56 -0.41 0.46 0.93 0.00 0.00 0.00 179.25 180.78 1b99 h GLU 58 N 0.01 0.00 -0.51 0.00 5.08 -1.86 0.27 114.58 117.57 1b99 h GLU 58 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1b99 h GLU 58 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1b99 h GLU 58 CO -0.85 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 177.88 1b99 n HIS 59 N -3.77 0.67 -0.26 4.33 8.25 -0.08 -4.58 115.22 119.78 1b99 n HIS 59 Ca 0.08 -0.34 0.27 0.00 -0.26 0.00 0.00 57.72 57.47 1b99 n HIS 59 Cb 0.64 0.00 0.64 0.00 1.12 0.00 0.00 29.99 32.39 1b99 n HIS 59 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1b99 h LYS 60 N 4.39 0.17 0.00 -0.41 2.10 -0.95 0.52 116.57 122.39 1b99 h LYS 60 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1b99 h LYS 60 Cb 0.98 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1b99 h LYS 60 CO 0.00 0.11 -0.52 0.39 -2.00 0.00 0.00 179.45 177.43 1b99 n GLU 61 N -4.38 0.16 -2.08 0.07 4.71 -1.26 -4.92 120.64 112.94 1b99 n GLU 61 Ca 0.22 0.05 -0.32 0.00 -0.01 0.00 0.00 57.16 57.10 1b99 n GLU 61 Cb 0.96 -1.61 0.00 0.00 -1.01 0.00 0.00 31.44 29.79 1b99 n GLU 61 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1b99 s ARG 62 N -3.09 3.44 0.06 3.49 3.00 0.18 -5.00 118.95 121.03 1b99 s ARG 62 Ca 0.09 1.11 -0.29 0.00 0.00 0.00 0.00 55.73 56.64 1b99 s ARG 62 Cb 0.15 -2.05 -0.18 0.00 0.00 0.00 0.00 34.95 32.87 1b99 s ARG 62 CO 0.70 -0.71 1.58 -1.35 0.00 0.00 0.00 175.30 175.53 1b99 h PRO 63 N 0.43 -0.60 0.00 3.54 0.11 -1.91 -3.03 132.00 130.54 1b99 h PRO 63 Ca -0.46 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1b99 h PRO 63 Cb 1.21 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1b99 h PRO 63 CO 0.58 -0.37 0.00 1.97 -0.21 0.00 0.00 178.00 179.98 1b99 n PHE 64 N -5.33 0.29 -0.26 0.65 1.16 -1.26 -3.67 117.46 109.04 1b99 n PHE 64 Ca -0.11 0.14 0.01 0.00 -1.87 0.00 0.00 57.45 55.61 1b99 n PHE 64 Cb 0.27 -0.72 0.08 0.00 -1.61 0.00 0.00 39.48 37.50 1b99 n PHE 64 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1b99 h PHE 65 N 0.00 -0.47 -0.63 2.97 3.57 -1.74 0.80 116.94 121.43 1b99 h PHE 65 Ca 0.00 0.07 0.08 0.00 3.53 0.00 0.00 57.97 61.65 1b99 h PHE 65 Cb 0.10 0.32 -0.07 0.00 2.79 0.00 0.00 35.95 39.10 1b99 h PHE 65 CO 0.00 -0.33 0.29 0.78 -2.23 0.00 0.00 178.31 176.82 1b99 h GLY 66 N -0.02 0.92 1.92 2.40 0.00 -1.81 -1.46 103.07 105.02 1b99 h GLY 66 Ca 0.35 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.42 1b99 h GLY 66 CO -0.77 0.05 -0.34 -1.33 0.00 0.00 0.00 176.54 174.15 1b99 h GLY 67 N 0.52 0.10 0.63 4.60 0.00 -1.15 -1.80 103.07 105.97 1b99 h GLY 67 Ca 0.31 -0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 1b99 h GLY 67 CO -0.25 0.08 -0.18 1.41 0.00 0.00 0.00 176.54 177.59 1b99 h LEU 68 N 0.08 -0.42 -1.26 3.11 3.38 -0.22 -1.89 115.31 118.10 1b99 h LEU 68 Ca 0.01 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.89 1b99 h LEU 68 Cb 0.65 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 1b99 h LEU 68 CO 0.05 -0.04 0.53 0.58 0.09 0.00 0.00 178.44 179.65 1b99 h VAL 69 N -0.88 1.08 0.00 1.22 2.07 -1.37 -1.38 116.25 117.00 1b99 h VAL 69 Ca -0.05 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 1b99 h VAL 69 Cb 0.54 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1b99 h VAL 69 CO 0.08 0.17 -0.00 -1.28 0.02 0.00 0.00 177.57 176.56 1b99 h SER 70 N 0.93 -0.00 0.03 0.57 0.87 -1.32 -3.05 113.55 111.57 1b99 h SER 70 Ca 0.33 -0.34 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1b99 h SER 70 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1b99 h SER 70 CO -0.11 0.34 -0.01 0.15 -0.53 0.00 0.00 176.83 176.67 1b99 h PHE 71 N -0.35 -0.04 -0.15 2.24 3.57 -1.10 -2.22 116.94 118.89 1b99 h PHE 71 Ca -0.00 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1b99 h PHE 71 Cb 0.35 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1b99 h PHE 71 CO 0.04 0.24 0.18 0.97 -2.23 0.00 0.00 178.31 177.51 1b99 h ILE 72 N -0.31 0.46 -0.02 1.41 2.10 -1.36 0.21 117.51 119.99 1b99 h ILE 72 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1b99 h ILE 72 Cb 0.29 0.86 0.00 0.00 -1.09 0.00 0.00 36.82 36.87 1b99 h ILE 72 CO 0.01 0.00 -0.06 0.35 -1.08 0.00 0.00 178.15 177.37 1b99 n THR 73 N -3.77 0.00 0.63 2.19 -2.24 -1.12 -4.27 114.28 105.70 1b99 n THR 73 Ca 0.01 -0.40 0.11 0.00 -2.27 0.00 0.00 64.05 61.50 1b99 n THR 73 Cb 0.29 1.18 0.45 0.00 -2.10 0.00 0.00 70.33 70.16 1b99 n THR 73 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1b99 n SER 74 N 0.84 0.34 -3.25 3.42 7.64 0.73 -4.76 113.62 118.57 1b99 n SER 74 Ca 0.15 0.56 -0.01 0.00 1.01 0.00 0.00 58.87 60.57 1b99 n SER 74 Cb 0.52 -0.64 0.02 0.00 -1.01 0.00 0.00 64.21 63.10 1b99 n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1b99 n GLY 75 N 0.66 0.55 3.76 0.23 0.00 -1.26 -5.10 105.19 104.03 1b99 n GLY 75 Ca 0.04 -1.11 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 1b99 n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1b99 s PRO 76 N -2.04 3.39 0.01 1.61 0.04 -1.26 -4.34 135.00 132.41 1b99 s PRO 76 Ca 0.23 2.01 0.05 0.00 0.04 0.00 0.00 61.00 63.33 1b99 s PRO 76 Cb -0.02 -2.30 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 1b99 s PRO 76 CO 0.04 -0.92 -0.15 0.08 0.04 0.00 0.00 177.00 176.08 1b99 s VAL 77 N -1.42 1.20 -0.44 -0.36 1.01 0.12 -3.55 120.40 116.97 1b99 s VAL 77 Ca 0.69 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 1b99 s VAL 77 Cb -0.35 -1.03 0.09 0.00 0.00 0.00 0.00 36.38 35.10 1b99 s VAL 77 CO 0.41 0.23 0.29 -0.69 0.00 0.00 0.00 175.10 175.34 1b99 s VAL 78 N -0.52 4.20 0.10 2.92 1.01 -0.94 -1.42 120.40 125.75 1b99 s VAL 78 Ca 0.05 -1.54 -0.19 0.00 0.00 0.00 0.00 61.98 60.30 1b99 s VAL 78 Cb -0.07 -3.64 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 1b99 s VAL 78 CO 0.00 -0.60 0.59 0.00 0.00 0.00 0.00 175.10 175.09 1b99 s ALA 79 N 1.40 3.57 0.05 5.51 0.00 0.09 -1.13 121.76 131.24 1b99 s ALA 79 Ca 0.04 0.04 -0.21 0.00 0.00 0.00 0.00 51.96 51.84 1b99 s ALA 79 Cb -0.24 -2.66 0.05 0.00 0.00 0.00 0.00 23.12 20.27 1b99 s ALA 79 CO 0.01 0.40 0.49 0.00 0.00 0.00 0.00 175.76 176.65 1b99 s MET 80 N -1.30 1.00 -0.11 0.00 0.23 -0.45 -1.67 119.30 117.00 1b99 s MET 80 Ca 0.32 -0.28 0.02 0.00 -1.03 0.00 0.00 55.69 54.71 1b99 s MET 80 Cb -0.19 0.45 0.01 0.00 -1.53 0.00 0.00 34.83 33.58 1b99 s MET 80 CO 0.20 -0.36 -0.17 0.08 -2.03 0.00 0.00 175.02 172.74 1b99 s VAL 81 N -2.49 1.61 -0.01 5.16 1.01 -0.50 -1.09 120.40 124.08 1b99 s VAL 81 Ca -0.05 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.26 1b99 s VAL 81 Cb -0.01 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 1b99 s VAL 81 CO -0.02 0.46 -0.15 -0.36 0.00 0.00 0.00 175.10 175.03 1b99 s PHE 82 N 0.89 2.67 -0.05 5.22 0.08 -1.00 -0.23 117.98 125.57 1b99 s PHE 82 Ca -0.08 -0.18 0.05 0.00 0.12 0.00 0.00 56.93 56.84 1b99 s PHE 82 Cb -0.15 -1.57 -0.02 0.00 -0.57 0.00 0.00 43.02 40.71 1b99 s PHE 82 CO -0.01 0.23 -0.19 -2.00 -0.10 0.00 0.00 175.22 173.16 1b99 s GLU 83 N -1.08 2.44 0.00 0.44 2.12 0.58 -1.70 118.70 121.50 1b99 s GLU 83 Ca 0.13 -0.79 0.00 0.00 0.36 0.00 0.00 54.97 54.68 1b99 s GLU 83 Cb -0.11 -2.27 0.00 0.00 0.26 0.00 0.00 34.13 32.01 1b99 s GLU 83 CO 0.03 0.56 0.00 0.41 -0.54 0.00 0.00 175.26 175.72 1b99 n GLY 84 N 2.48 1.68 3.69 -1.50 0.00 0.55 -1.34 105.19 110.76 1b99 n GLY 84 Ca -0.17 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 1b99 n GLY 84 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b99 s LYS 85 N -2.00 4.22 -1.44 1.61 2.20 -1.25 -2.56 119.74 120.53 1b99 s LYS 85 Ca 0.00 2.26 -0.01 0.00 -0.36 0.00 0.00 55.97 57.86 1b99 s LYS 85 Cb 0.00 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 1b99 s LYS 85 CO 0.00 -0.67 0.05 0.41 -0.36 0.00 0.00 175.35 174.78 1b99 n GLY 86 N 3.87 -0.50 0.28 5.54 0.00 -1.26 -4.88 105.19 108.24 1b99 n GLY 86 Ca 0.15 0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.20 1b99 n GLY 86 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1b99 h VAL 87 N -0.12 1.14 -0.40 1.61 3.04 -1.78 -1.64 116.25 118.10 1b99 h VAL 87 Ca -0.41 -0.46 -0.01 0.00 -1.01 0.00 0.00 66.70 64.81 1b99 h VAL 87 Cb 1.30 0.78 -0.02 0.00 -2.01 0.00 0.00 31.29 31.34 1b99 h VAL 87 CO 0.48 0.17 0.21 0.58 -1.01 0.00 0.00 177.57 178.00 1b99 h VAL 88 N 0.46 1.16 0.04 1.51 2.07 -1.87 0.27 116.25 119.89 1b99 h VAL 88 Ca 0.11 -0.42 -0.24 0.00 0.82 0.00 0.00 66.70 66.98 1b99 h VAL 88 Cb 0.13 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1b99 h VAL 88 CO -0.01 0.16 -1.02 0.00 0.02 0.00 0.00 177.57 176.73 1b99 h ALA 89 N 1.06 0.30 -0.43 1.67 0.00 -1.87 -3.07 119.26 116.92 1b99 h ALA 89 Ca 0.14 -0.76 -0.13 0.00 0.00 0.00 0.00 54.91 54.16 1b99 h ALA 89 Cb 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1b99 h ALA 89 CO -0.02 0.87 -0.23 1.03 0.00 0.00 0.00 179.25 180.89 1b99 h SER 90 N 0.17 0.92 -0.21 0.00 0.87 -1.15 -1.47 113.55 112.68 1b99 h SER 90 Ca -0.09 -0.35 -0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1b99 h SER 90 Cb 1.68 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 63.38 1b99 h SER 90 CO 0.17 1.11 0.13 0.00 -0.53 0.00 0.00 176.83 177.70 1b99 h ALA 91 N 0.96 0.27 -0.24 6.23 0.00 -0.52 -1.27 119.26 124.69 1b99 h ALA 91 Ca 0.10 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1b99 h ALA 91 Cb 0.79 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1b99 h ALA 91 CO 0.07 -0.21 -0.28 0.00 0.00 0.00 0.00 179.25 178.83 1b99 h ARG 92 N 0.25 0.47 -0.69 0.00 3.08 -1.45 -0.15 114.38 115.89 1b99 h ARG 92 Ca 0.08 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 1b99 h ARG 92 Cb 0.04 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 1b99 h ARG 92 CO -0.01 0.71 0.27 1.25 -1.07 0.00 0.00 179.97 181.12 1b99 h LEU 93 N 0.41 0.93 -0.44 3.04 5.85 -0.95 -1.84 115.31 122.31 1b99 h LEU 93 Ca 0.06 -0.13 -0.17 0.00 0.84 0.00 0.00 57.88 58.48 1b99 h LEU 93 Cb 0.70 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1b99 h LEU 93 CO 0.05 0.83 -0.78 0.24 -0.34 0.00 0.00 178.44 178.45 1b99 h MET 94 N 1.00 0.06 -0.21 1.25 2.86 -0.71 -3.24 114.93 115.93 1b99 h MET 94 Ca 0.23 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.76 1b99 h MET 94 Cb 0.19 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1b99 h MET 94 CO -0.02 0.81 -0.05 0.82 1.06 0.00 0.00 176.91 179.52 1b99 h ILE 95 N 0.04 1.29 0.00 -1.22 2.04 -0.53 -1.26 117.51 117.87 1b99 h ILE 95 Ca -0.02 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.80 1b99 h ILE 95 Cb 1.37 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 1b99 h ILE 95 CO 0.11 0.32 0.00 0.61 0.00 0.00 0.00 178.15 179.19 1b99 n GLY 96 N -0.14 0.23 3.69 5.37 0.00 -0.74 -1.13 105.19 112.48 1b99 n GLY 96 Ca -0.04 -2.04 -0.25 0.00 0.00 0.00 0.00 46.02 43.69 1b99 n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1b99 s VAL 97 N 0.00 2.38 0.28 1.61 -7.23 -1.26 -4.74 120.40 111.45 1b99 s VAL 97 Ca 0.00 -1.81 -0.01 0.00 -1.81 0.00 0.00 61.98 58.35 1b99 s VAL 97 Cb 0.00 -2.95 0.35 0.00 0.56 0.00 0.00 36.38 34.34 1b99 s VAL 97 CO 0.00 -0.06 1.61 0.74 -0.31 0.00 0.00 175.10 177.08 1b99 h THR 98 N 1.59 0.19 -3.61 5.32 2.02 -1.99 -3.33 112.91 113.11 1b99 h THR 98 Ca -0.43 -0.03 -0.67 0.00 0.77 0.00 0.00 66.41 66.05 1b99 h THR 98 Cb 1.25 0.09 -0.17 0.00 -1.74 0.00 0.00 68.15 67.59 1b99 h THR 98 CO 0.71 0.02 -0.18 0.21 0.37 0.00 0.00 175.52 176.65 1b99 s ASN 99 N -5.08 6.23 0.56 4.18 3.04 -1.26 -4.67 114.94 117.94 1b99 s ASN 99 Ca -0.13 -0.32 0.24 0.00 0.04 0.00 0.00 52.86 52.70 1b99 s ASN 99 Cb 0.26 -2.23 1.52 0.00 -1.54 0.00 0.00 41.25 39.27 1b99 s ASN 99 CO 0.77 -0.47 2.14 1.55 -3.04 0.00 0.00 177.10 178.04 1b99 h PRO 100 N 8.57 0.00 0.00 0.43 0.13 -1.80 -1.79 132.00 137.53 1b99 h PRO 100 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1b99 h PRO 100 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1b99 h PRO 100 CO 0.76 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 178.46 1b99 h LEU 101 N 0.00 0.00 -1.60 1.56 3.38 -1.78 -2.22 115.31 114.64 1b99 h LEU 101 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1b99 h LEU 101 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1b99 h LEU 101 CO -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 178.44 178.43 1b99 n ALA 102 N -2.01 2.69 -2.06 1.53 0.00 -0.69 -4.94 120.51 115.02 1b99 n ALA 102 Ca 0.01 -0.65 -0.40 0.00 0.00 0.00 0.00 53.44 52.40 1b99 n ALA 102 Cb 0.30 -0.70 -0.05 0.00 0.00 0.00 0.00 19.45 19.00 1b99 n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1b99 s SER 103 N -1.86 7.53 0.51 0.00 0.01 -0.84 -4.89 113.70 114.16 1b99 s SER 103 Ca 0.22 1.82 -0.21 0.00 1.31 0.00 0.00 55.95 59.10 1b99 s SER 103 Cb 0.17 -2.58 -0.07 0.00 0.21 0.00 0.00 66.02 63.75 1b99 s SER 103 CO 0.32 0.04 1.14 0.00 0.41 0.00 0.00 173.24 175.15 1b99 s ALA 104 N -0.52 2.81 0.50 1.44 0.00 -1.26 -4.49 121.76 120.24 1b99 s ALA 104 Ca 0.43 0.86 -0.23 0.00 0.00 0.00 0.00 51.96 53.03 1b99 s ALA 104 Cb -0.24 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.45 1b99 s ALA 104 CO 0.30 -0.71 1.39 -2.30 0.00 0.00 0.00 175.76 174.43 1b99 n PRO 105 N -0.96 1.95 0.00 0.00 -0.02 -1.26 -2.54 135.00 132.16 1b99 n PRO 105 Ca 0.10 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1b99 n PRO 105 Cb 0.50 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 1b99 n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1b99 n GLY 106 N 0.69 2.48 3.94 -1.23 0.00 -1.26 -4.98 105.19 104.82 1b99 n GLY 106 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1b99 n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b99 s SER 107 N -0.75 6.08 0.07 1.61 1.04 -1.05 -4.93 113.70 115.77 1b99 s SER 107 Ca 0.00 0.45 -0.35 0.00 0.48 0.00 0.00 55.95 56.53 1b99 s SER 107 Cb 0.00 -1.84 -0.18 0.00 0.10 0.00 0.00 66.02 64.09 1b99 s SER 107 CO 0.00 -0.51 1.53 0.40 0.98 0.00 0.00 173.24 175.64 1b99 h ILE 108 N 0.52 0.00 -0.22 -1.02 2.04 -1.15 -0.04 117.51 117.64 1b99 h ILE 108 Ca -0.48 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 1b99 h ILE 108 Cb 1.23 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1b99 h ILE 108 CO 0.60 0.00 -0.06 0.03 0.00 0.00 0.00 178.15 178.72 1b99 h ARG 109 N -1.14 0.34 -0.58 2.37 3.08 -1.38 -1.50 114.38 115.57 1b99 h ARG 109 Ca -0.10 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 1b99 h ARG 109 Cb 0.92 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.89 1b99 h ARG 109 CO 0.09 0.42 0.10 0.78 -1.07 0.00 0.00 179.97 180.30 1b99 h GLY 110 N 0.74 0.99 1.61 0.04 0.00 -1.68 -0.81 103.07 103.95 1b99 h GLY 110 Ca 0.07 -0.62 -0.25 0.00 0.00 0.00 0.00 47.33 46.54 1b99 h GLY 110 CO 0.01 0.58 -1.27 -0.55 0.00 0.00 0.00 176.54 175.31 1b99 h ASP 111 N 0.87 0.05 0.00 0.19 3.32 -0.53 -3.43 116.42 116.90 1b99 h ASP 111 Ca 0.18 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1b99 h ASP 111 Cb 0.37 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1b99 h ASP 111 CO 0.01 1.05 -0.97 0.49 -1.72 0.00 0.00 179.24 178.10 1b99 n PHE 112 N -3.27 0.00 -3.89 4.55 3.72 -0.61 -5.08 117.46 112.88 1b99 n PHE 112 Ca -0.07 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.05 1b99 n PHE 112 Cb 0.99 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.49 1b99 n PHE 112 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1b99 s GLY 113 N -1.95 1.90 0.00 1.37 0.00 -0.31 -4.99 107.32 103.34 1b99 s GLY 113 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.80 1b99 s GLY 113 CO 0.00 -0.90 0.00 3.33 0.00 0.00 0.00 173.10 175.53 1b99 n VAL 114 N -0.26 0.00 -4.53 1.40 0.24 -1.26 -4.24 118.33 109.68 1b99 n VAL 114 Ca -0.06 -0.06 -0.27 0.00 -2.04 0.00 0.00 64.34 61.92 1b99 n VAL 114 Cb 0.53 0.45 -0.13 0.00 -1.47 0.00 0.00 33.84 33.21 1b99 n VAL 114 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1b99 s ASP 115 N -0.57 2.79 0.38 -1.34 2.15 -1.26 -4.48 116.67 114.35 1b99 s ASP 115 Ca 0.00 -0.63 0.21 0.00 0.43 0.00 0.00 52.55 52.56 1b99 s ASP 115 Cb 0.00 -0.20 0.48 0.00 -0.30 0.00 0.00 42.92 42.90 1b99 s ASP 115 CO 0.00 0.15 1.64 1.62 -0.17 0.00 0.00 175.17 178.41 1b99 h VAL 116 N 4.15 0.52 0.00 1.11 3.04 -1.97 -3.05 116.25 120.06 1b99 h VAL 116 Ca -0.46 -1.49 -0.09 0.00 -1.01 0.00 0.00 66.70 63.65 1b99 h VAL 116 Cb 1.17 2.06 -0.01 0.00 -2.01 0.00 0.00 31.29 32.49 1b99 h VAL 116 CO 0.41 0.27 -0.66 1.23 -1.01 0.00 0.00 177.57 177.81 1b99 h GLY 117 N 3.05 0.00 -5.73 3.17 0.00 -1.96 -3.31 103.07 98.29 1b99 h GLY 117 Ca -0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 1b99 h GLY 117 CO 0.04 0.00 -0.34 0.54 0.00 0.00 0.00 176.54 176.77 1b99 n ARG 118 N -3.08 3.40 -1.00 4.80 5.12 -1.16 -4.89 116.66 119.85 1b99 n ARG 118 Ca -0.00 -4.78 -0.20 0.00 -1.93 0.00 0.00 57.85 50.94 1b99 n ARG 118 Cb 0.71 -2.29 0.14 0.00 -1.16 0.00 0.00 32.46 29.86 1b99 n ARG 118 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1b99 n ASN 119 N 0.14 3.80 0.00 0.55 6.94 -1.17 -4.22 115.26 121.30 1b99 n ASN 119 Ca 0.32 -3.30 0.00 0.00 -0.02 0.00 0.00 54.58 51.58 1b99 n ASN 119 Cb 0.38 -0.79 0.00 0.00 -2.36 0.00 0.00 39.78 37.01 1b99 n ASN 119 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1b99 n ILE 120 N -0.80 0.00 -4.04 1.53 5.41 -1.26 -4.80 119.36 115.40 1b99 n ILE 120 Ca 0.48 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 64.15 1b99 n ILE 120 Cb 1.40 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 40.23 1b99 n ILE 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 1b99 s ILE 121 N 0.00 0.17 -0.02 1.39 2.07 -1.26 -0.72 121.20 122.83 1b99 s ILE 121 Ca 0.00 -1.39 0.06 0.00 -1.41 0.00 0.00 60.65 57.91 1b99 s ILE 121 Cb 0.00 -0.93 -0.03 0.00 0.13 0.00 0.00 42.46 41.63 1b99 s ILE 121 CO 0.00 -0.76 -0.19 -2.28 -1.91 0.00 0.00 174.94 169.79 1b99 s HIS 122 N -2.77 2.55 0.01 3.50 5.65 -0.24 -4.93 115.29 119.07 1b99 s HIS 122 Ca -0.04 -0.27 0.00 0.00 0.25 0.00 0.00 55.06 55.01 1b99 s HIS 122 Cb -0.00 -1.54 -0.01 0.00 -1.18 0.00 0.00 32.58 29.84 1b99 s HIS 122 CO -0.06 0.13 -0.03 0.20 -0.65 0.00 0.00 174.74 174.34 1b99 s GLY 123 N -0.88 0.19 0.54 1.59 0.00 -1.26 -1.19 107.32 106.32 1b99 s GLY 123 Ca 0.12 -0.37 -0.21 0.00 0.00 0.00 0.00 44.72 44.26 1b99 s GLY 123 CO 0.01 -0.40 1.26 -0.56 0.00 0.00 0.00 173.10 173.40 1b99 s SER 124 N -0.83 5.44 0.00 1.64 0.01 -0.88 -4.94 113.70 114.13 1b99 s SER 124 Ca -0.08 2.52 0.24 0.00 1.31 0.00 0.00 55.95 59.94 1b99 s SER 124 Cb -0.06 -2.61 0.35 0.00 0.21 0.00 0.00 66.02 63.91 1b99 s SER 124 CO -0.00 -1.44 1.31 -0.90 0.41 0.00 0.00 173.24 172.62 1b99 n ASP 125 N -1.12 1.24 -3.61 2.44 5.68 -1.26 -4.79 116.55 115.14 1b99 n ASP 125 Ca 0.11 -0.99 -0.05 0.00 -0.50 0.00 0.00 54.79 53.36 1b99 n ASP 125 Cb 0.47 0.38 -0.02 0.00 -1.14 0.00 0.00 41.12 40.82 1b99 n ASP 125 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1b99 s SER 126 N -2.64 -0.23 0.36 -1.12 1.04 -1.26 -4.98 113.70 104.86 1b99 s SER 126 Ca 0.18 -0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.51 1b99 s SER 126 Cb 0.18 0.34 0.66 0.00 0.10 0.00 0.00 66.02 67.30 1b99 s SER 126 CO 0.61 -0.59 2.00 0.58 0.98 0.00 0.00 173.24 176.82 1b99 h VAL 127 N 2.00 1.16 -0.43 5.02 2.07 -1.94 0.09 116.25 124.22 1b99 h VAL 127 Ca -0.22 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 1b99 h VAL 127 Cb 1.22 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1b99 h VAL 127 CO 0.28 0.16 0.16 -0.33 0.02 0.00 0.00 177.57 177.86 1b99 h GLU 128 N 0.79 0.66 -0.19 1.57 3.07 -1.98 -2.16 114.58 116.34 1b99 h GLU 128 Ca 0.21 -0.13 -0.16 0.00 -0.50 0.00 0.00 59.36 58.79 1b99 h GLU 128 Cb -0.05 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.75 1b99 h GLU 128 CO -0.04 0.62 -0.54 0.77 -1.40 0.00 0.00 179.01 178.42 1b99 h SER 129 N 0.56 0.61 0.42 1.42 0.02 -1.82 -2.73 113.55 112.02 1b99 h SER 129 Ca 0.14 -0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1b99 h SER 129 Cb 0.22 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1b99 h SER 129 CO -0.01 1.03 -0.29 0.00 -1.14 0.00 0.00 176.83 176.42 1b99 h ALA 130 N 0.98 -0.69 -0.40 3.77 0.00 -0.81 0.80 119.26 122.92 1b99 h ALA 130 Ca 0.01 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.88 1b99 h ALA 130 Cb 1.08 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1b99 h ALA 130 CO 0.10 -0.90 0.27 -0.91 0.00 0.00 0.00 179.25 177.81 1b99 h ASN 131 N -0.68 0.14 0.02 0.00 2.35 -1.40 0.20 115.58 116.22 1b99 h ASN 131 Ca -0.04 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1b99 h ASN 131 Cb 0.58 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1b99 h ASN 131 CO 0.02 0.09 -0.01 -0.09 -1.65 0.00 0.00 177.43 175.79 1b99 h ARG 132 N 0.16 -0.03 -0.49 0.81 2.43 -1.14 -3.14 114.38 112.98 1b99 h ARG 132 Ca 0.18 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.26 1b99 h ARG 132 Cb 0.52 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1b99 h ARG 132 CO -0.03 0.64 -0.08 0.93 -1.51 0.00 0.00 179.97 179.92 1b99 h GLU 133 N -0.75 0.89 -0.62 0.20 5.08 -0.16 -2.38 114.58 116.85 1b99 h GLU 133 Ca -0.00 -0.30 0.03 0.00 -1.00 0.00 0.00 59.36 58.09 1b99 h GLU 133 Cb 0.68 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 1b99 h GLU 133 CO 0.01 0.94 0.38 0.82 -1.00 0.00 0.00 179.01 180.15 1b99 h ILE 134 N 0.81 1.07 0.00 3.13 2.04 -0.75 -0.89 117.51 122.91 1b99 h ILE 134 Ca 0.14 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1b99 h ILE 134 Cb 0.59 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1b99 h ILE 134 CO 0.04 0.13 0.00 0.00 0.00 0.00 0.00 178.15 178.32 1b99 h ALA 135 N 1.27 1.00 0.21 1.87 0.00 -1.47 0.13 119.26 122.27 1b99 h ALA 135 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.87 1b99 h ALA 135 Cb 0.03 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.85 1b99 h ALA 135 CO -0.11 0.00 -1.28 1.25 0.00 0.00 0.00 179.25 179.11 1b99 h LEU 136 N 0.00 0.69 0.00 0.00 6.46 -0.79 -3.39 115.31 118.28 1b99 h LEU 136 Ca 0.00 -0.93 -0.23 0.00 -0.12 0.00 0.00 57.88 56.60 1b99 h LEU 136 Cb 0.62 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.29 1b99 h LEU 136 CO 0.00 1.61 -1.87 0.79 -0.62 0.00 0.00 178.44 178.35 1b99 n TRP 137 N -3.86 0.52 -4.81 1.25 7.02 -0.43 -4.96 117.44 112.17 1b99 n TRP 137 Ca -0.17 0.18 -0.31 0.00 -1.02 0.00 0.00 57.50 56.18 1b99 n TRP 137 Cb 1.00 -0.99 -0.14 0.00 -2.42 0.00 0.00 31.31 28.76 1b99 n TRP 137 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1b99 s PHE 138 N -2.82 2.47 0.18 -5.99 0.40 0.44 -5.10 117.98 107.56 1b99 s PHE 138 Ca -0.06 -0.32 -0.07 0.00 -0.60 0.00 0.00 56.93 55.88 1b99 s PHE 138 Cb 0.08 -1.45 -0.06 0.00 0.51 0.00 0.00 43.02 42.10 1b99 s PHE 138 CO 0.83 0.18 0.45 0.15 0.70 0.00 0.00 175.22 177.53 1b99 s LYS 139 N -1.25 3.70 0.43 0.44 -0.14 -1.26 -4.45 119.74 117.20 1b99 s LYS 139 Ca 0.13 0.07 0.18 0.00 -1.36 0.00 0.00 55.97 54.99 1b99 s LYS 139 Cb -0.10 -2.77 1.10 0.00 -1.68 0.00 0.00 37.83 34.38 1b99 s LYS 139 CO 0.03 0.41 1.89 -1.35 -0.76 0.00 0.00 175.35 175.56 1b99 h PRO 140 N 2.72 0.37 0.00 -1.68 0.11 -1.95 -0.41 132.00 131.15 1b99 h PRO 140 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1b99 h PRO 140 Cb 1.17 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1b99 h PRO 140 CO 0.71 0.24 0.00 0.93 -0.21 0.00 0.00 178.00 179.67 1b99 h GLU 141 N 0.38 0.00 -0.00 1.05 3.07 -2.03 -2.88 114.58 114.17 1b99 h GLU 141 Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 1b99 h GLU 141 Cb 1.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 1b99 h GLU 141 CO -0.14 0.00 -0.48 0.39 -1.40 0.00 0.00 179.01 177.38 1b99 n GLU 142 N -2.55 0.44 -4.26 2.33 1.02 -0.17 -4.92 120.64 112.54 1b99 n GLU 142 Ca 0.01 -0.29 -0.34 0.00 -0.02 0.00 0.00 57.16 56.51 1b99 n GLU 142 Cb 0.21 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 30.05 1b99 n GLU 142 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1b99 s LEU 143 N -2.76 3.72 0.36 -4.62 1.43 -1.09 -4.58 118.68 111.14 1b99 s LEU 143 Ca 0.16 0.16 -0.26 0.00 -1.03 0.00 0.00 54.13 53.16 1b99 s LEU 143 Cb 0.18 -1.96 -0.09 0.00 0.03 0.00 0.00 46.19 44.35 1b99 s LEU 143 CO 0.65 0.35 1.08 -0.76 0.23 0.00 0.00 176.35 177.90 1b99 s LEU 144 N -1.15 4.27 -0.21 1.79 1.43 -0.33 -4.97 118.68 119.51 1b99 s LEU 144 Ca 0.16 2.15 -0.16 0.00 -1.03 0.00 0.00 54.13 55.26 1b99 s LEU 144 Cb -0.12 -4.00 -0.09 0.00 0.03 0.00 0.00 46.19 42.01 1b99 s LEU 144 CO 0.06 -0.42 -0.22 0.41 0.23 0.00 0.00 176.35 176.41 1b99 n THR 145 N 0.32 1.50 -2.67 5.49 -1.04 -1.26 -4.78 114.28 111.84 1b99 n THR 145 Ca 0.03 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.05 61.60 1b99 n THR 145 Cb 0.48 -2.17 -0.03 0.00 -1.82 0.00 0.00 70.33 66.78 1b99 n THR 145 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1b99 s GLU 146 N -2.56 3.18 -0.05 -2.82 8.01 -1.26 -4.89 118.70 118.30 1b99 s GLU 146 Ca -0.29 -0.42 -0.04 0.00 0.01 0.00 0.00 54.97 54.23 1b99 s GLU 146 Cb 0.07 -4.18 -0.01 0.00 -4.31 0.00 0.00 34.13 25.69 1b99 s GLU 146 CO 0.43 -1.99 -0.07 1.55 0.01 0.00 0.00 175.26 175.19 1b99 n VAL 147 N 6.23 0.55 -3.02 2.63 3.14 -1.26 -5.09 118.33 121.51 1b99 n VAL 147 Ca 0.01 0.39 -0.01 0.00 -2.96 0.00 0.00 64.34 61.77 1b99 n VAL 147 Cb 0.48 -1.84 -0.01 0.00 -1.06 0.00 0.00 33.84 31.41 1b99 n VAL 147 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1b99 n LYS 148 N -3.17 -1.67 -2.22 1.45 4.76 -1.26 -5.01 118.16 111.04 1b99 n LYS 148 Ca -0.03 1.55 -0.26 0.00 -2.87 0.00 0.00 58.31 56.70 1b99 n LYS 148 Cb 0.10 -1.74 0.11 0.00 -1.84 0.00 0.00 35.03 31.66 1b99 n LYS 148 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1b99 s PRO 149 N -0.42 1.71 0.17 1.97 0.04 -1.26 -5.01 135.00 132.19 1b99 s PRO 149 Ca -0.04 -0.48 -0.34 0.00 0.04 0.00 0.00 61.00 60.19 1b99 s PRO 149 Cb 0.00 -2.13 -0.14 0.00 0.04 0.00 0.00 34.50 32.28 1b99 s PRO 149 CO 0.16 -1.57 1.52 -1.71 0.04 0.00 0.00 177.00 175.45 1b99 n ASN 150 N -3.11 2.91 0.17 6.66 2.85 -1.26 -4.88 115.26 118.60 1b99 n ASN 150 Ca 0.11 1.10 0.13 0.00 -0.11 0.00 0.00 54.58 55.81 1b99 n ASN 150 Cb 0.60 -1.41 0.55 0.00 1.24 0.00 0.00 39.78 40.76 1b99 n ASN 150 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1b99 h PRO 151 N 5.47 0.00 -0.00 1.20 0.13 -1.95 -2.37 132.00 134.47 1b99 h PRO 151 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1b99 h PRO 151 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1b99 h PRO 151 CO 0.85 0.00 -0.02 0.09 -0.23 0.00 0.00 178.00 178.69 1b99 n ASN 152 N -2.45 0.23 -0.07 1.44 3.02 -1.26 -3.81 115.26 112.35 1b99 n ASN 152 Ca 0.02 -0.77 -0.22 0.00 -0.03 0.00 0.00 54.58 53.58 1b99 n ASN 152 Cb 0.25 -0.08 -0.12 0.00 -0.61 0.00 0.00 39.78 39.21 1b99 n ASN 152 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1b99 n LEU 153 N -0.95 2.50 -4.48 3.41 4.77 -0.89 -4.99 117.00 116.37 1b99 n LEU 153 Ca 0.20 0.17 -0.30 0.00 -0.03 0.00 0.00 56.01 56.04 1b99 n LEU 153 Cb 0.19 -0.99 -0.12 0.00 -2.33 0.00 0.00 43.42 40.17 1b99 n LEU 153 CO 0.20 0.74 -0.48 -0.31 -1.33 0.00 0.00 177.39 176.21 1b99 s TYR 154 N -2.51 2.58 -2.19 -1.77 2.02 -1.25 -5.13 117.35 109.10 1b99 s TYR 154 Ca -0.30 -0.24 0.30 0.00 -0.37 0.00 0.00 57.07 56.47 1b99 s TYR 154 Cb 0.08 -1.44 1.58 0.00 -0.40 0.00 0.00 41.96 41.78 1b99 s TYR 154 CO 0.65 0.30 2.04 -1.91 -1.57 0.00 0.00 175.55 175.06