#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 0.41 -1.71 6.55 5.03 -1.26 -3.34 115.26 120.94 1b99 n ASN 7 Ca 0.00 -1.46 -0.02 0.00 0.87 0.00 0.00 54.58 53.98 1b99 n ASN 7 Cb 0.00 -0.02 0.27 0.00 -1.02 0.00 0.00 39.78 39.01 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 -0.53 3.48 -2.75 3.52 0.00 -1.26 -3.16 118.16 117.46 1b99 n LYS 8 Ca 0.15 -2.45 -0.38 0.00 0.00 0.00 0.00 58.31 55.63 1b99 n LYS 8 Cb 0.13 -2.06 -0.06 0.00 0.00 0.00 0.00 35.03 33.05 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 -2.45 4.64 0.07 1.64 2.12 -1.21 -4.83 118.70 118.68 1b99 s GLU 9 Ca 0.44 1.41 0.04 0.00 0.36 0.00 0.00 54.97 57.21 1b99 s GLU 9 Cb 0.34 -2.94 -0.03 0.00 0.26 0.00 0.00 34.13 31.76 1b99 s GLU 9 CO 0.11 0.32 -0.12 1.03 -0.54 0.00 0.00 175.26 176.06 1b99 s ARG 10 N -1.80 0.76 0.13 4.30 0.52 -1.26 -0.59 118.95 121.00 1b99 s ARG 10 Ca 0.48 -0.93 0.02 0.00 -0.52 0.00 0.00 55.73 54.77 1b99 s ARG 10 Cb -0.21 -0.69 -0.04 0.00 0.52 0.00 0.00 34.95 34.52 1b99 s ARG 10 CO 0.27 0.15 -0.03 -0.08 0.02 0.00 0.00 175.30 175.62 1b99 s THR 11 N -1.40 0.64 -0.21 0.02 -1.32 -0.84 -4.72 115.64 107.82 1b99 s THR 11 Ca -0.03 -1.95 -0.05 0.00 -1.21 0.00 0.00 61.69 58.45 1b99 s THR 11 Cb -0.09 -1.86 -0.02 0.00 -1.51 0.00 0.00 72.50 69.01 1b99 s THR 11 CO 0.02 -0.70 0.01 0.12 -2.21 0.00 0.00 174.62 171.85 1b99 s PHE 12 N -3.67 3.04 0.15 9.09 5.36 -1.26 -2.77 117.98 127.92 1b99 s PHE 12 Ca 0.17 -0.49 0.11 0.00 -0.96 0.00 0.00 56.93 55.76 1b99 s PHE 12 Cb 0.06 -2.11 -0.04 0.00 -0.34 0.00 0.00 43.02 40.59 1b99 s PHE 12 CO -0.01 -0.28 -0.26 -0.51 -1.46 0.00 0.00 175.22 172.70 1b99 s LEU 13 N 1.13 2.37 -0.18 6.12 1.43 -0.40 -2.13 118.68 127.02 1b99 s LEU 13 Ca 0.03 -0.79 -0.07 0.00 -1.03 0.00 0.00 54.13 52.27 1b99 s LEU 13 Cb -0.14 -1.21 0.08 0.00 0.03 0.00 0.00 46.19 44.95 1b99 s LEU 13 CO 0.02 0.16 0.39 0.00 0.23 0.00 0.00 176.35 177.14 1b99 s ALA 14 N -1.28 -1.02 -0.25 4.21 0.00 -0.62 -1.16 121.76 121.65 1b99 s ALA 14 Ca 0.16 1.40 -0.25 0.00 0.00 0.00 0.00 51.96 53.28 1b99 s ALA 14 Cb -0.09 -1.18 -0.00 0.00 0.00 0.00 0.00 23.12 21.85 1b99 s ALA 14 CO 0.07 -0.63 0.83 0.08 0.00 0.00 0.00 175.76 176.12 1b99 s VAL 15 N 2.30 4.83 0.77 0.00 1.01 -0.15 -0.47 120.40 128.70 1b99 s VAL 15 Ca -0.03 1.54 -0.12 0.00 0.00 0.00 0.00 61.98 63.38 1b99 s VAL 15 Cb -0.11 -4.12 0.05 0.00 0.00 0.00 0.00 36.38 32.20 1b99 s VAL 15 CO -0.12 -0.09 1.14 -0.54 0.00 0.00 0.00 175.10 175.48 1b99 s LYS 16 N 2.87 2.31 0.35 2.72 1.02 0.04 -2.06 119.74 126.98 1b99 s LYS 16 Ca 0.35 0.30 0.14 0.00 0.02 0.00 0.00 55.97 56.78 1b99 s LYS 16 Cb -0.15 -1.97 1.12 0.00 -0.52 0.00 0.00 37.83 36.30 1b99 s LYS 16 CO 0.08 -1.39 1.58 -1.35 -0.92 0.00 0.00 175.35 173.35 1b99 h PRO 17 N -0.91 0.02 -0.30 -1.68 0.11 -1.86 0.36 132.00 127.74 1b99 h PRO 17 Ca -0.46 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 1b99 h PRO 17 Cb 1.29 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1b99 h PRO 17 CO 0.64 0.01 -0.38 0.38 -0.21 0.00 0.00 178.00 178.45 1b99 h ASP 18 N 0.02 0.73 -0.39 -2.05 2.03 -1.89 0.18 116.42 115.04 1b99 h ASP 18 Ca 0.75 -0.32 -0.15 0.00 -0.73 0.00 0.00 57.03 56.58 1b99 h ASP 18 Cb 1.85 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 40.14 1b99 h ASP 18 CO -0.82 1.02 -0.36 1.23 -1.03 0.00 0.00 179.24 179.28 1b99 h GLY 19 N 0.97 1.02 0.70 7.15 0.00 -0.51 -1.65 103.07 110.75 1b99 h GLY 19 Ca 0.05 -1.03 -0.00 0.00 0.00 0.00 0.00 47.33 46.36 1b99 h GLY 19 CO 0.08 0.93 -0.01 -2.08 0.00 0.00 0.00 176.54 175.46 1b99 h VAL 20 N 0.75 1.21 0.00 4.60 2.07 -1.10 -1.05 116.25 122.74 1b99 h VAL 20 Ca 0.07 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 1b99 h VAL 20 Cb 0.95 1.67 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1b99 h VAL 20 CO 0.09 0.18 -0.02 0.00 0.02 0.00 0.00 177.57 177.84 1b99 h ALA 21 N 0.65 1.20 -0.48 1.67 0.00 -0.59 -1.97 119.26 119.74 1b99 h ALA 21 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1b99 h ALA 21 Cb 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1b99 h ALA 21 CO 0.00 0.03 0.00 0.54 0.00 0.00 0.00 179.25 179.82 1b99 n ARG 22 N -3.40 2.31 -2.75 0.00 1.74 -0.63 -4.95 116.66 108.97 1b99 n ARG 22 Ca -0.02 -2.01 -0.14 0.00 -0.77 0.00 0.00 57.85 54.91 1b99 n ARG 22 Cb 0.13 -1.46 0.02 0.00 -1.02 0.00 0.00 32.46 30.13 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 1.41 -0.07 0.54 -0.13 0.00 -0.74 -4.94 105.19 101.26 1b99 n GLY 23 Ca 0.19 -0.21 0.11 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.65 2.11 0.06 0.99 4.77 -0.41 -4.61 117.00 117.26 1b99 n LEU 24 Ca -0.07 -0.78 -0.12 0.00 -0.03 0.00 0.00 56.01 55.01 1b99 n LEU 24 Cb 0.57 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.62 1b99 n LEU 24 CO 0.30 0.39 0.67 0.58 -1.33 0.00 0.00 177.39 178.00 1b99 h VAL 25 N 2.63 0.37 -0.85 4.08 2.07 -1.87 -1.57 116.25 121.11 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 0.77 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1b99 h VAL 25 CO 0.00 0.00 0.41 1.23 0.02 0.00 0.00 177.57 179.23 1b99 h GLY 26 N -0.43 1.31 1.00 2.17 0.00 -1.97 -2.04 103.07 103.11 1b99 h GLY 26 Ca 0.06 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 1b99 h GLY 26 CO -0.24 0.62 0.36 -2.09 0.00 0.00 0.00 176.54 175.19 1b99 h GLU 27 N 1.21 0.79 -0.12 4.80 4.57 -1.76 -1.45 114.58 122.63 1b99 h GLU 27 Ca 0.29 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.38 1b99 h GLU 27 Cb 0.11 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.53 1b99 h GLU 27 CO -0.04 0.56 -0.05 0.82 -1.18 0.00 0.00 179.01 179.13 1b99 h ILE 28 N 0.79 1.31 -0.60 2.32 2.04 -1.05 -2.87 117.51 119.44 1b99 h ILE 28 Ca 0.21 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 1b99 h ILE 28 Cb -0.03 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1b99 h ILE 28 CO -0.04 0.30 0.28 0.40 0.00 0.00 0.00 178.15 179.09 1b99 h ILE 29 N -0.10 1.20 -0.56 -0.67 2.04 -1.28 -2.20 117.51 115.96 1b99 h ILE 29 Ca 0.03 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 1b99 h ILE 29 Cb 0.49 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 1b99 h ILE 29 CO 0.02 0.24 0.16 0.00 0.00 0.00 0.00 178.15 178.57 1b99 h ALA 30 N 1.45 1.24 -0.92 1.87 0.00 -1.22 -1.71 119.26 119.97 1b99 h ALA 30 Ca 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1b99 h ALA 30 Cb 0.11 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1b99 h ALA 30 CO -0.03 0.54 0.53 0.00 0.00 0.00 0.00 179.25 180.29 1b99 h ARG 31 N 0.81 1.26 -0.15 0.00 3.08 -1.17 -0.04 114.38 118.18 1b99 h ARG 31 Ca 0.18 -0.13 -0.20 0.00 0.07 0.00 0.00 59.98 59.90 1b99 h ARG 31 Cb 0.26 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1b99 h ARG 31 CO -0.01 0.90 -0.72 1.88 -1.07 0.00 0.00 179.97 180.96 1b99 h TYR 32 N 1.28 0.91 -0.33 3.04 0.05 -1.36 -2.87 116.97 117.68 1b99 h TYR 32 Ca 0.33 -0.38 -0.13 0.00 0.05 0.00 0.00 58.73 58.60 1b99 h TYR 32 Cb -0.02 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.56 1b99 h TYR 32 CO 0.01 1.19 -0.31 0.93 -1.05 0.00 0.00 178.16 178.92 1b99 h GLU 33 N 0.48 0.70 -0.74 4.88 5.08 -1.05 -2.63 114.58 121.29 1b99 h GLU 33 Ca -0.03 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 57.98 1b99 h GLU 33 Cb 1.32 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 1b99 h GLU 33 CO 0.14 0.92 0.34 0.87 -1.00 0.00 0.00 179.01 180.28 1b99 h LYS 34 N 0.59 1.07 -0.36 2.33 1.57 -1.02 -2.69 116.57 118.06 1b99 h LYS 34 Ca 0.07 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1b99 h LYS 34 Cb 0.83 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1b99 h LYS 34 CO 0.07 0.84 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.53 1b99 h LYS 35 N 1.06 0.59 0.00 3.15 1.63 -1.31 -3.47 116.57 118.22 1b99 h LYS 35 Ca 0.25 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 1b99 h LYS 35 Cb 0.14 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.69 1b99 h LYS 35 CO -0.03 0.65 0.00 0.41 -3.45 0.00 0.00 179.45 177.03 1b99 n GLY 36 N -0.72 1.20 3.84 5.01 0.00 -1.01 -5.11 105.19 108.40 1b99 n GLY 36 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 3.37 -0.15 1.61 0.08 -1.06 -4.89 117.98 114.94 1b99 s PHE 37 Ca 0.00 1.35 -0.07 0.00 0.12 0.00 0.00 56.93 58.33 1b99 s PHE 37 Cb 0.00 -2.65 -0.04 0.00 -0.57 0.00 0.00 43.02 39.76 1b99 s PHE 37 CO 0.00 -0.05 0.07 0.08 -0.10 0.00 0.00 175.22 175.23 1b99 s VAL 38 N -2.16 4.89 -0.62 -0.44 1.01 0.03 -4.45 120.40 118.66 1b99 s VAL 38 Ca 0.57 -0.01 -0.28 0.00 0.00 0.00 0.00 61.98 62.26 1b99 s VAL 38 Cb -0.10 -3.17 0.02 0.00 0.00 0.00 0.00 36.38 33.14 1b99 s VAL 38 CO 0.19 0.52 1.32 -0.22 0.00 0.00 0.00 175.10 176.90 1b99 s LEU 39 N -0.12 3.35 0.00 3.92 2.96 -1.26 -0.11 118.68 127.41 1b99 s LEU 39 Ca 0.07 0.02 0.23 0.00 -0.22 0.00 0.00 54.13 54.24 1b99 s LEU 39 Cb -0.12 -2.94 0.16 0.00 0.50 0.00 0.00 46.19 43.79 1b99 s LEU 39 CO 0.01 -1.69 1.17 0.52 -1.32 0.00 0.00 176.35 175.04 1b99 n VAL 40 N 6.68 0.00 -3.58 1.68 0.31 0.97 -4.94 118.33 119.45 1b99 n VAL 40 Ca 0.09 -0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.28 1b99 n VAL 40 Cb 0.49 0.60 -0.06 0.00 -0.91 0.00 0.00 33.84 33.96 1b99 n VAL 40 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1b99 s GLY 41 N -3.00 -0.39 -0.28 2.92 0.00 -1.09 -1.61 107.32 103.87 1b99 s GLY 41 Ca 0.10 1.95 -0.20 0.00 0.00 0.00 0.00 44.72 46.57 1b99 s GLY 41 CO 0.78 1.31 0.75 -2.27 0.00 0.00 0.00 173.10 173.68 1b99 s LEU 42 N -0.57 -0.81 -0.17 0.66 2.96 -1.26 -1.40 118.68 118.09 1b99 s LEU 42 Ca -0.03 1.39 -0.31 0.00 -0.22 0.00 0.00 54.13 54.95 1b99 s LEU 42 Cb -0.02 2.32 0.14 0.00 0.50 0.00 0.00 46.19 49.13 1b99 s LEU 42 CO 0.02 -0.23 1.10 -1.59 -1.32 0.00 0.00 176.35 174.33 1b99 s LYS 43 N 1.09 0.46 -0.07 1.98 -2.85 -0.69 -5.02 119.74 114.65 1b99 s LYS 43 Ca -0.06 -0.01 0.02 0.00 -1.00 0.00 0.00 55.97 54.92 1b99 s LYS 43 Cb -0.05 0.22 -0.03 0.00 -2.06 0.00 0.00 37.83 35.91 1b99 s LYS 43 CO -0.11 -0.17 -0.12 -1.14 0.10 0.00 0.00 175.35 173.91 1b99 s GLN 44 N -1.71 2.72 0.23 1.78 0.74 -1.26 -0.99 119.66 121.17 1b99 s GLN 44 Ca 0.04 -0.64 -0.20 0.00 0.05 0.00 0.00 55.36 54.61 1b99 s GLN 44 Cb -0.01 -2.49 0.03 0.00 1.10 0.00 0.00 33.01 31.64 1b99 s GLN 44 CO -0.03 0.57 0.62 -0.48 -0.55 0.00 0.00 175.29 175.42 1b99 s LEU 45 N -0.59 -0.18 -0.36 3.68 2.34 -0.33 -4.96 118.68 118.28 1b99 s LEU 45 Ca 0.08 -0.48 -0.07 0.00 0.06 0.00 0.00 54.13 53.72 1b99 s LEU 45 Cb -0.11 2.47 0.05 0.00 -0.56 0.00 0.00 46.19 48.03 1b99 s LEU 45 CO 0.01 -1.18 0.15 -0.69 -1.06 0.00 0.00 176.35 173.59 1b99 s VAL 46 N -3.88 3.97 0.40 1.48 1.01 -1.26 0.57 120.40 122.69 1b99 s VAL 46 Ca 0.10 -1.18 -0.25 0.00 0.00 0.00 0.00 61.98 60.65 1b99 s VAL 46 Cb -0.03 -3.30 -0.11 0.00 0.00 0.00 0.00 36.38 32.94 1b99 s VAL 46 CO 0.01 -0.27 1.00 -2.65 0.00 0.00 0.00 175.10 173.18 1b99 n PRO 47 N 4.85 1.34 -3.50 2.72 -0.02 -1.26 -4.99 135.00 134.14 1b99 n PRO 47 Ca -0.11 0.48 -0.29 0.00 -2.02 0.00 0.00 63.50 61.56 1b99 n PRO 47 Cb 0.44 -2.01 -0.03 0.00 -0.02 0.00 0.00 33.50 31.88 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 -1.26 5.10 0.25 3.45 -1.32 -1.26 -4.55 115.64 116.05 1b99 s THR 48 Ca 0.62 -0.08 -0.07 0.00 -1.21 0.00 0.00 61.69 60.96 1b99 s THR 48 Cb -0.57 -3.72 0.30 0.00 -1.51 0.00 0.00 72.50 67.00 1b99 s THR 48 CO 0.57 -0.23 1.62 0.50 -2.21 0.00 0.00 174.62 174.88 1b99 h LYS 49 N 1.93 0.07 -0.35 7.08 3.64 -1.94 -0.76 116.57 126.24 1b99 h LYS 49 Ca -0.48 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 58.83 1b99 h LYS 49 Cb 1.19 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 1b99 h LYS 49 CO 0.67 0.04 -0.09 0.38 -2.27 0.00 0.00 179.45 178.19 1b99 h ASP 50 N 0.07 0.56 -0.28 4.20 2.03 -1.99 -1.36 116.42 119.64 1b99 h ASP 50 Ca 0.42 -0.14 -0.04 0.00 -0.73 0.00 0.00 57.03 56.54 1b99 h ASP 50 Cb 0.73 -0.15 -0.01 0.00 -0.83 0.00 0.00 39.33 39.07 1b99 h ASP 50 CO -0.72 0.69 0.03 0.25 -1.03 0.00 0.00 179.24 178.46 1b99 h LEU 51 N 0.54 0.47 -0.15 0.15 5.85 -1.57 -0.88 115.31 119.71 1b99 h LEU 51 Ca 0.10 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.57 1b99 h LEU 51 Cb 0.48 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1b99 h LEU 51 CO 0.03 0.63 0.01 0.00 -0.34 0.00 0.00 178.44 178.77 1b99 h ALA 52 N 0.85 0.14 0.31 1.25 0.00 -0.99 -0.44 119.26 120.38 1b99 h ALA 52 Ca 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1b99 h ALA 52 Cb 0.37 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1b99 h ALA 52 CO 0.01 -0.43 -0.15 0.93 0.00 0.00 0.00 179.25 179.61 1b99 h GLU 53 N 0.07 -0.40 0.06 0.00 5.08 -1.16 -0.58 114.58 117.65 1b99 h GLU 53 Ca 0.07 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1b99 h GLU 53 Cb 0.08 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 1b99 h GLU 53 CO -0.11 -0.26 -0.39 0.77 -1.00 0.00 0.00 179.01 178.03 1b99 h SER 54 N -0.43 -1.15 -0.91 1.42 0.02 -1.10 -2.08 113.55 109.32 1b99 h SER 54 Ca -0.04 0.14 0.23 0.00 -0.84 0.00 0.00 61.79 61.27 1b99 h SER 54 Cb 0.33 0.45 -0.17 0.00 0.14 0.00 0.00 62.40 63.15 1b99 h SER 54 CO 0.07 -0.45 -0.02 -0.74 -1.14 0.00 0.00 176.83 174.55 1b99 h HIS 55 N -0.58 -0.11 -0.92 3.45 -0.00 -0.82 -0.79 115.15 115.37 1b99 h HIS 55 Ca 0.04 0.07 -0.64 0.00 -0.00 0.00 0.00 60.37 59.84 1b99 h HIS 55 Cb 0.64 0.20 -0.33 0.00 -0.00 0.00 0.00 27.41 27.91 1b99 h HIS 55 CO -0.37 -0.36 0.34 0.66 -0.00 0.00 0.00 177.93 178.20 1b99 n TYR 56 N -5.46 3.08 -0.11 5.26 4.01 -0.25 -4.80 117.16 118.90 1b99 n TYR 56 Ca 0.19 -2.78 -0.10 0.00 -0.16 0.00 0.00 57.90 55.06 1b99 n TYR 56 Cb 0.62 -1.10 -0.04 0.00 -0.31 0.00 0.00 39.34 38.51 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 2.05 -0.38 0.00 -0.72 0.00 -0.50 -1.51 119.26 118.20 1b99 h ALA 57 Ca 0.53 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1b99 h ALA 57 Cb 1.05 0.84 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1b99 h ALA 57 CO 1.33 -0.84 0.34 1.05 0.00 0.00 0.00 179.25 181.14 1b99 h GLU 58 N -0.32 0.00 -0.01 0.00 4.11 -1.87 0.08 114.58 116.57 1b99 h GLU 58 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 1b99 h GLU 58 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1b99 h GLU 58 CO -0.55 0.00 -0.61 0.72 0.07 0.00 0.00 179.01 178.64 1b99 n HIS 59 N -2.66 0.00 -0.29 2.06 8.25 -0.57 -4.63 115.22 117.38 1b99 n HIS 59 Ca -0.02 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.48 1b99 n HIS 59 Cb 0.38 -0.01 0.09 0.00 1.12 0.00 0.00 29.99 31.57 1b99 n HIS 59 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1b99 n LYS 60 N -0.46 -0.10 0.00 -0.41 3.00 0.01 0.32 118.16 120.51 1b99 n LYS 60 Ca 0.08 1.25 0.14 0.00 -0.00 0.00 0.00 58.31 59.78 1b99 n LYS 60 Cb 0.43 -1.86 0.65 0.00 0.00 0.00 0.00 35.03 34.24 1b99 n LYS 60 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1b99 n GLU 61 N -5.28 0.64 -2.83 1.64 4.71 -1.26 -4.76 120.64 113.51 1b99 n GLU 61 Ca 0.12 -0.18 -0.37 0.00 -0.01 0.00 0.00 57.16 56.71 1b99 n GLU 61 Cb 0.38 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 29.25 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 -2.48 4.57 0.58 3.49 0.52 0.15 -4.95 118.95 120.83 1b99 s ARG 62 Ca 0.29 1.28 0.30 0.00 -0.52 0.00 0.00 55.73 57.08 1b99 s ARG 62 Cb 0.20 -2.88 1.43 0.00 0.52 0.00 0.00 34.95 34.22 1b99 s ARG 62 CO 0.47 0.33 1.83 -1.35 0.02 0.00 0.00 175.30 176.61 1b99 h PRO 63 N 3.36 0.00 -0.14 3.54 0.11 -1.89 -2.02 132.00 134.95 1b99 h PRO 63 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1b99 h PRO 63 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1b99 h PRO 63 CO 0.65 0.00 0.00 1.97 -0.21 0.00 0.00 178.00 180.41 1b99 n PHE 64 N -3.79 0.16 0.15 0.65 1.16 -1.26 -4.30 117.46 110.22 1b99 n PHE 64 Ca 0.13 -0.08 0.15 0.00 -1.87 0.00 0.00 57.45 55.78 1b99 n PHE 64 Cb 0.84 0.00 0.72 0.00 -1.61 0.00 0.00 39.48 39.43 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 3.68 0.00 -0.06 2.97 3.57 -1.56 -2.26 116.94 123.28 1b99 h PHE 65 Ca 0.00 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1b99 h PHE 65 Cb 0.79 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.51 1b99 h PHE 65 CO 0.08 0.00 -0.06 0.78 -2.23 0.00 0.00 178.31 176.89 1b99 h GLY 66 N 0.00 0.00 2.00 2.40 0.00 -1.82 -2.46 103.07 103.19 1b99 h GLY 66 Ca 0.12 0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.43 1b99 h GLY 66 CO -0.00 -0.07 -0.40 -1.33 0.00 0.00 0.00 176.54 174.74 1b99 h GLY 67 N -0.07 0.00 0.80 4.60 0.00 -1.75 -2.72 103.07 103.94 1b99 h GLY 67 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 1b99 h GLY 67 CO -0.11 0.00 -0.10 1.41 0.00 0.00 0.00 176.54 177.74 1b99 h LEU 68 N 0.00 -0.24 -0.01 3.11 3.38 -1.28 0.00 115.31 120.27 1b99 h LEU 68 Ca -0.00 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1b99 h LEU 68 Cb 1.30 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 1b99 h LEU 68 CO 0.05 0.00 0.00 0.58 0.09 0.00 0.00 178.44 179.17 1b99 h VAL 69 N -0.48 1.23 -0.19 1.22 2.07 -1.51 -1.68 116.25 116.91 1b99 h VAL 69 Ca -0.03 -0.69 0.05 0.00 0.82 0.00 0.00 66.70 66.85 1b99 h VAL 69 Cb 0.37 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1b99 h VAL 69 CO 0.05 0.18 0.19 0.28 0.02 0.00 0.00 177.57 178.29 1b99 h SER 70 N -0.27 0.00 0.00 0.57 0.02 -1.51 -2.82 113.55 109.55 1b99 h SER 70 Ca 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.81 1b99 h SER 70 Cb 0.29 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1b99 h SER 70 CO 0.00 0.00 -0.79 0.15 -1.14 0.00 0.00 176.83 175.05 1b99 h PHE 71 N 0.00 0.01 -0.23 3.45 3.57 -0.72 -3.06 116.94 119.95 1b99 h PHE 71 Ca 0.09 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.65 1b99 h PHE 71 Cb 0.47 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1b99 h PHE 71 CO 0.00 1.31 0.23 0.82 -2.23 0.00 0.00 178.31 178.44 1b99 h ILE 72 N -0.99 0.51 -0.02 1.41 1.08 -1.26 0.21 117.51 118.45 1b99 h ILE 72 Ca -0.22 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.25 1b99 h ILE 72 Cb 1.20 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 35.76 1b99 h ILE 72 CO -0.13 0.00 -0.06 0.35 -0.69 0.00 0.00 178.15 177.62 1b99 n THR 73 N -3.89 0.00 0.63 -0.27 -2.24 -1.07 -4.28 114.28 103.16 1b99 n THR 73 Ca 0.03 -0.40 0.12 0.00 -2.27 0.00 0.00 64.05 61.53 1b99 n THR 73 Cb 0.37 1.18 0.46 0.00 -2.10 0.00 0.00 70.33 70.24 1b99 n THR 73 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1b99 n SER 74 N 0.85 0.48 -2.73 3.42 3.41 0.74 -4.77 113.62 115.02 1b99 n SER 74 Ca 0.15 0.57 -0.03 0.00 -0.26 0.00 0.00 58.87 59.30 1b99 n SER 74 Cb 0.52 -0.69 0.02 0.00 -0.26 0.00 0.00 64.21 63.79 1b99 n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b99 n GLY 75 N 0.80 0.85 3.76 5.00 0.00 -1.26 -5.10 105.19 109.24 1b99 n GLY 75 Ca 0.05 -1.13 -0.37 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.05 3.37 -0.01 1.61 0.04 -1.26 -4.32 135.00 132.38 1b99 s PRO 76 Ca 0.17 1.97 0.04 0.00 0.04 0.00 0.00 61.00 63.21 1b99 s PRO 76 Cb -0.03 -2.26 -0.01 0.00 0.04 0.00 0.00 34.50 32.25 1b99 s PRO 76 CO 0.06 -0.93 -0.13 0.08 0.04 0.00 0.00 177.00 176.12 1b99 s VAL 77 N -1.46 1.00 -0.47 -0.36 1.01 0.19 -3.56 120.40 116.76 1b99 s VAL 77 Ca 0.69 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 62.01 1b99 s VAL 77 Cb -0.34 -0.84 0.11 0.00 0.00 0.00 0.00 36.38 35.31 1b99 s VAL 77 CO 0.39 0.27 0.34 -0.69 0.00 0.00 0.00 175.10 175.42 1b99 s VAL 78 N -0.32 4.36 0.16 2.92 1.01 -0.88 -1.19 120.40 126.46 1b99 s VAL 78 Ca 0.05 -1.64 -0.16 0.00 0.00 0.00 0.00 61.98 60.22 1b99 s VAL 78 Cb -0.05 -3.81 -0.07 0.00 0.00 0.00 0.00 36.38 32.45 1b99 s VAL 78 CO -0.00 -0.72 0.60 0.00 0.00 0.00 0.00 175.10 174.97 1b99 s ALA 79 N 1.41 3.54 0.05 5.51 0.00 -0.16 -0.97 121.76 131.13 1b99 s ALA 79 Ca 0.05 -0.03 -0.25 0.00 0.00 0.00 0.00 51.96 51.72 1b99 s ALA 79 Cb -0.26 -2.61 0.06 0.00 0.00 0.00 0.00 23.12 20.31 1b99 s ALA 79 CO 0.01 0.42 0.60 0.00 0.00 0.00 0.00 175.76 176.78 1b99 s MET 80 N -1.87 1.11 -0.09 0.00 0.23 -0.31 -1.70 119.30 116.69 1b99 s MET 80 Ca 0.38 -0.14 0.02 0.00 -1.03 0.00 0.00 55.69 54.93 1b99 s MET 80 Cb -0.16 0.52 0.01 0.00 -1.53 0.00 0.00 34.83 33.67 1b99 s MET 80 CO 0.20 -0.41 -0.15 0.08 -2.03 0.00 0.00 175.02 172.70 1b99 s VAL 81 N -2.41 1.44 0.04 5.16 1.01 -0.50 -1.27 120.40 123.87 1b99 s VAL 81 Ca -0.05 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.36 1b99 s VAL 81 Cb -0.01 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1b99 s VAL 81 CO -0.01 0.43 -0.18 -0.36 0.00 0.00 0.00 175.10 174.98 1b99 s PHE 82 N 0.76 2.56 0.01 5.22 0.08 -1.12 -0.02 117.98 125.48 1b99 s PHE 82 Ca -0.12 -0.25 0.08 0.00 0.12 0.00 0.00 56.93 56.76 1b99 s PHE 82 Cb -0.16 -1.47 -0.02 0.00 -0.57 0.00 0.00 43.02 40.80 1b99 s PHE 82 CO 0.02 0.25 -0.26 -2.00 -0.10 0.00 0.00 175.22 173.13 1b99 s GLU 83 N -1.40 1.95 0.00 0.44 2.12 0.84 -1.98 118.70 120.66 1b99 s GLU 83 Ca 0.14 -1.00 0.00 0.00 0.36 0.00 0.00 54.97 54.48 1b99 s GLU 83 Cb -0.10 -1.98 0.00 0.00 0.26 0.00 0.00 34.13 32.30 1b99 s GLU 83 CO 0.05 0.53 0.00 0.41 -0.54 0.00 0.00 175.26 175.71 1b99 n GLY 84 N 2.16 1.36 3.69 -1.50 0.00 0.24 -0.79 105.19 110.35 1b99 n GLY 84 Ca -0.16 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.53 1.61 2.20 -1.25 -2.79 119.74 120.20 1b99 s LYS 85 Ca 0.00 2.26 -0.14 0.00 -0.36 0.00 0.00 55.97 57.73 1b99 s LYS 85 Cb 0.00 -3.54 0.09 0.00 -1.51 0.00 0.00 37.83 32.87 1b99 s LYS 85 CO 0.00 -0.68 0.88 0.41 -0.36 0.00 0.00 175.35 175.60 1b99 n GLY 86 N 3.89 -0.49 0.22 5.54 0.00 -1.26 -4.88 105.19 108.20 1b99 n GLY 86 Ca 0.15 0.17 -0.02 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.83 1.27 -0.65 1.61 3.04 -1.80 -2.07 116.25 115.82 1b99 h VAL 87 Ca -0.56 -1.31 -0.06 0.00 -1.01 0.00 0.00 66.70 63.76 1b99 h VAL 87 Cb 1.37 1.47 -0.03 0.00 -2.01 0.00 0.00 31.29 32.09 1b99 h VAL 87 CO 0.67 0.40 0.19 0.58 -1.01 0.00 0.00 177.57 178.40 1b99 h VAL 88 N 0.31 1.25 0.10 1.51 2.07 -1.87 0.40 116.25 120.02 1b99 h VAL 88 Ca 0.04 -0.89 -0.27 0.00 0.82 0.00 0.00 66.70 66.40 1b99 h VAL 88 Cb 0.69 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1b99 h VAL 88 CO 0.05 0.34 -1.27 0.00 0.02 0.00 0.00 177.57 176.71 1b99 h ALA 89 N 1.07 0.20 -0.33 1.67 0.00 -1.89 -2.97 119.26 117.03 1b99 h ALA 89 Ca 0.21 -0.96 -0.15 0.00 0.00 0.00 0.00 54.91 54.02 1b99 h ALA 89 Cb 0.32 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1b99 h ALA 89 CO -0.00 1.08 -0.36 1.03 0.00 0.00 0.00 179.25 180.99 1b99 h SER 90 N 0.06 0.88 -0.39 0.00 0.87 -1.27 -1.87 113.55 111.83 1b99 h SER 90 Ca -0.14 -0.48 0.02 0.00 -1.23 0.00 0.00 61.79 59.96 1b99 h SER 90 Cb 1.95 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 63.63 1b99 h SER 90 CO 0.18 1.19 0.23 0.00 -0.53 0.00 0.00 176.83 177.89 1b99 h ALA 91 N 0.72 0.49 -0.58 6.23 0.00 -0.27 -1.21 119.26 124.64 1b99 h ALA 91 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1b99 h ALA 91 Cb 0.95 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1b99 h ALA 91 CO 0.09 -0.11 0.34 0.00 0.00 0.00 0.00 179.25 179.58 1b99 h ARG 92 N 0.47 0.79 -0.82 0.00 3.08 -1.46 -0.75 114.38 115.70 1b99 h ARG 92 Ca 0.15 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.15 1b99 h ARG 92 Cb -0.00 -0.16 -0.05 0.00 0.08 0.00 0.00 29.97 29.84 1b99 h ARG 92 CO -0.07 0.58 0.54 1.25 -1.07 0.00 0.00 179.97 181.20 1b99 h LEU 93 N 0.78 0.88 -0.44 3.04 5.85 -0.81 -1.60 115.31 123.01 1b99 h LEU 93 Ca 0.21 -0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.74 1b99 h LEU 93 Cb -0.00 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 1b99 h LEU 93 CO -0.04 0.61 -0.75 0.24 -0.34 0.00 0.00 178.44 178.16 1b99 h MET 94 N 1.02 0.24 -0.36 1.25 2.86 -0.75 -3.21 114.93 115.99 1b99 h MET 94 Ca 0.32 -0.21 -0.14 0.00 -2.06 0.00 0.00 59.70 57.61 1b99 h MET 94 Cb 0.01 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1b99 h MET 94 CO -0.09 0.88 -0.33 0.82 1.06 0.00 0.00 176.91 179.25 1b99 h ILE 95 N 0.15 1.28 0.00 -1.22 2.04 -0.54 -0.44 117.51 118.78 1b99 h ILE 95 Ca -0.03 -1.49 0.00 0.00 1.00 0.00 0.00 64.86 64.34 1b99 h ILE 95 Cb 1.33 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.77 1b99 h ILE 95 CO 0.12 0.49 0.00 0.61 0.00 0.00 0.00 178.15 179.37 1b99 n GLY 96 N -0.02 0.13 3.60 5.37 0.00 -0.66 -1.05 105.19 112.57 1b99 n GLY 96 Ca -0.01 -1.94 -0.26 0.00 0.00 0.00 0.00 46.02 43.80 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 2.23 0.29 1.61 -7.23 -1.26 -4.75 120.40 111.28 1b99 s VAL 97 Ca 0.00 -2.04 -0.02 0.00 -1.81 0.00 0.00 61.98 58.11 1b99 s VAL 97 Cb 0.00 -2.83 0.43 0.00 0.56 0.00 0.00 36.38 34.54 1b99 s VAL 97 CO 0.00 -0.11 1.54 0.41 -0.31 0.00 0.00 175.10 176.63 1b99 n THR 98 N -0.93 -0.41 -3.29 5.32 -1.04 -1.26 -3.82 114.28 108.85 1b99 n THR 98 Ca -0.04 2.20 -0.42 0.00 -2.04 0.00 0.00 64.05 63.74 1b99 n THR 98 Cb 0.65 -3.15 -0.08 0.00 -1.82 0.00 0.00 70.33 65.93 1b99 n THR 98 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1b99 s ASN 99 N -5.10 6.24 0.53 8.00 3.04 -1.26 -4.68 114.94 121.70 1b99 s ASN 99 Ca -0.14 -0.38 0.21 0.00 0.04 0.00 0.00 52.86 52.59 1b99 s ASN 99 Cb 0.28 -2.24 1.36 0.00 -1.54 0.00 0.00 41.25 39.11 1b99 s ASN 99 CO 0.77 -0.53 2.08 1.55 -3.04 0.00 0.00 177.10 177.93 1b99 h PRO 100 N 8.63 0.00 0.00 0.43 0.13 -1.82 -1.39 132.00 137.97 1b99 h PRO 100 Ca -0.27 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 1b99 h PRO 100 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1b99 h PRO 100 CO 0.78 0.00 -0.08 -0.07 -0.23 0.00 0.00 178.00 178.40 1b99 h LEU 101 N 0.00 0.00 -1.26 1.56 3.38 -1.79 -1.77 115.31 115.43 1b99 h LEU 101 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1b99 h LEU 101 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1b99 h LEU 101 CO -0.00 0.08 -0.34 0.00 0.09 0.00 0.00 178.44 178.28 1b99 n ALA 102 N -2.18 3.23 -1.84 1.53 0.00 -0.55 -4.95 120.51 115.75 1b99 n ALA 102 Ca -0.01 -0.65 -0.40 0.00 0.00 0.00 0.00 53.44 52.37 1b99 n ALA 102 Cb 0.26 -0.78 -0.06 0.00 0.00 0.00 0.00 19.45 18.87 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 -2.31 7.59 0.50 0.00 0.01 -0.67 -4.90 113.70 113.93 1b99 s SER 103 Ca 0.21 1.95 -0.21 0.00 1.31 0.00 0.00 55.95 59.21 1b99 s SER 103 Cb 0.18 -2.61 -0.07 0.00 0.21 0.00 0.00 66.02 63.74 1b99 s SER 103 CO 0.49 0.10 1.14 0.00 0.41 0.00 0.00 173.24 175.37 1b99 s ALA 104 N -0.98 2.84 0.44 1.44 0.00 -1.26 -4.41 121.76 119.83 1b99 s ALA 104 Ca 0.42 0.86 -0.25 0.00 0.00 0.00 0.00 51.96 52.99 1b99 s ALA 104 Cb -0.26 -3.36 -0.08 0.00 0.00 0.00 0.00 23.12 19.42 1b99 s ALA 104 CO 0.32 -0.67 1.38 -2.14 0.00 0.00 0.00 175.76 174.65 1b99 s PRO 105 N -2.99 3.77 0.00 0.00 0.02 -1.26 -2.37 135.00 132.17 1b99 s PRO 105 Ca 0.68 2.32 0.00 0.00 0.02 0.00 0.00 61.00 64.01 1b99 s PRO 105 Cb -0.26 -2.68 0.00 0.00 0.02 0.00 0.00 34.50 31.59 1b99 s PRO 105 CO 0.30 -0.71 0.00 0.41 -0.33 0.00 0.00 177.00 176.67 1b99 n GLY 106 N 0.61 1.72 3.90 0.52 0.00 -1.26 -4.98 105.19 105.69 1b99 n GLY 106 Ca 0.05 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.30 6.31 0.08 1.61 1.04 -1.00 -4.93 113.70 116.52 1b99 s SER 107 Ca 0.00 1.00 -0.32 0.00 0.48 0.00 0.00 55.95 57.10 1b99 s SER 107 Cb 0.00 -2.28 -0.17 0.00 0.10 0.00 0.00 66.02 63.68 1b99 s SER 107 CO 0.00 -0.56 1.62 0.40 0.98 0.00 0.00 173.24 175.68 1b99 h ILE 108 N 0.37 0.30 -0.49 -1.02 2.04 -1.07 0.25 117.51 117.89 1b99 h ILE 108 Ca -0.47 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.33 1b99 h ILE 108 Cb 1.20 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1b99 h ILE 108 CO 0.62 0.00 0.06 0.03 0.00 0.00 0.00 178.15 178.86 1b99 h ARG 109 N -0.86 0.78 -0.24 2.37 3.08 -1.34 -1.45 114.38 116.72 1b99 h ARG 109 Ca -0.07 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 1b99 h ARG 109 Cb 0.70 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1b99 h ARG 109 CO 0.07 0.75 0.02 0.78 -1.07 0.00 0.00 179.97 180.52 1b99 h GLY 110 N 0.96 0.37 1.06 0.04 0.00 -1.65 -0.16 103.07 103.69 1b99 h GLY 110 Ca 0.15 -0.18 -0.29 0.00 0.00 0.00 0.00 47.33 47.01 1b99 h GLY 110 CO 0.01 0.17 -1.65 -0.55 0.00 0.00 0.00 176.54 174.52 1b99 h ASP 111 N 0.34 0.01 0.00 0.19 3.32 -0.43 -3.42 116.42 116.43 1b99 h ASP 111 Ca 0.08 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1b99 h ASP 111 Cb 0.20 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1b99 h ASP 111 CO 0.00 1.02 0.00 0.49 -1.72 0.00 0.00 179.24 179.04 1b99 n PHE 112 N -3.08 0.00 -4.11 4.55 3.72 -0.59 -5.08 117.46 112.86 1b99 n PHE 112 Ca -0.16 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 56.96 1b99 n PHE 112 Cb 1.04 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.51 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 -0.78 1.84 0.00 1.37 0.00 -0.08 -5.00 107.32 104.67 1b99 s GLY 113 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.55 1b99 s GLY 113 CO 0.00 -1.17 0.00 -0.62 0.00 0.00 0.00 173.10 171.31 1b99 n VAL 114 N 0.14 0.00 -4.60 1.40 0.31 -1.26 -4.22 118.33 110.10 1b99 n VAL 114 Ca -0.09 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 63.95 1b99 n VAL 114 Cb 0.53 -0.18 -0.14 0.00 -0.91 0.00 0.00 33.84 33.15 1b99 n VAL 114 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1b99 s ASP 115 N -1.45 3.08 0.31 4.52 -1.08 -1.26 -4.51 116.67 116.29 1b99 s ASP 115 Ca 0.00 -0.66 0.14 0.00 -0.52 0.00 0.00 52.55 51.51 1b99 s ASP 115 Cb 0.00 -0.23 0.45 0.00 -1.46 0.00 0.00 42.92 41.67 1b99 s ASP 115 CO 0.00 0.19 1.64 1.62 0.52 0.00 0.00 175.17 179.14 1b99 h VAL 116 N 4.08 1.22 0.00 1.11 3.04 -1.97 -2.80 116.25 120.93 1b99 h VAL 116 Ca -0.48 -1.94 0.00 0.00 -1.01 0.00 0.00 66.70 63.27 1b99 h VAL 116 Cb 1.16 2.10 0.00 0.00 -2.01 0.00 0.00 31.29 32.54 1b99 h VAL 116 CO 0.41 0.53 -0.00 1.23 -1.01 0.00 0.00 177.57 178.72 1b99 h GLY 117 N 2.03 0.00 -5.57 3.17 0.00 -1.96 -3.29 103.07 97.45 1b99 h GLY 117 Ca -0.01 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1b99 h GLY 117 CO 0.07 0.00 -0.67 0.54 0.00 0.00 0.00 176.54 176.48 1b99 n ARG 118 N -2.65 2.88 -1.29 4.80 5.12 -1.07 -4.92 116.66 119.54 1b99 n ARG 118 Ca 0.05 -4.70 -0.31 0.00 -1.93 0.00 0.00 57.85 50.96 1b99 n ARG 118 Cb 0.48 -2.19 0.11 0.00 -1.16 0.00 0.00 32.46 29.69 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 0.09 6.53 0.00 0.55 6.94 -1.16 -4.26 115.26 123.94 1b99 n ASN 119 Ca 0.30 -3.71 0.00 0.00 -0.02 0.00 0.00 54.58 51.15 1b99 n ASN 119 Cb 0.41 -0.94 0.00 0.00 -2.36 0.00 0.00 39.78 36.89 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 -0.95 0.00 -4.07 1.53 5.41 -1.26 -4.77 119.36 115.25 1b99 n ILE 120 Ca 0.61 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 64.28 1b99 n ILE 120 Cb 0.95 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 39.78 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 0.27 0.00 1.39 2.07 -1.26 -0.78 121.20 122.90 1b99 s ILE 121 Ca 0.00 -1.52 0.07 0.00 -1.41 0.00 0.00 60.65 57.78 1b99 s ILE 121 Cb 0.00 -1.12 -0.03 0.00 0.13 0.00 0.00 42.46 41.44 1b99 s ILE 121 CO 0.00 -0.80 -0.20 -2.28 -1.91 0.00 0.00 174.94 169.75 1b99 s HIS 122 N -3.01 2.52 0.01 3.50 5.65 0.38 -4.94 115.29 119.39 1b99 s HIS 122 Ca -0.00 -0.29 0.01 0.00 0.25 0.00 0.00 55.06 55.03 1b99 s HIS 122 Cb 0.01 -1.51 -0.01 0.00 -1.18 0.00 0.00 32.58 29.90 1b99 s HIS 122 CO -0.06 0.16 -0.02 0.20 -0.65 0.00 0.00 174.74 174.36 1b99 s GLY 123 N -1.05 0.15 0.65 1.59 0.00 -1.26 -1.59 107.32 105.80 1b99 s GLY 123 Ca 0.12 -0.24 -0.17 0.00 0.00 0.00 0.00 44.72 44.43 1b99 s GLY 123 CO 0.02 -0.26 1.20 -0.56 0.00 0.00 0.00 173.10 173.51 1b99 s SER 124 N -0.49 4.82 0.00 1.64 0.01 -0.90 -4.94 113.70 113.84 1b99 s SER 124 Ca -0.04 2.34 0.20 0.00 1.31 0.00 0.00 55.95 59.77 1b99 s SER 124 Cb -0.04 -2.59 -0.17 0.00 0.21 0.00 0.00 66.02 63.43 1b99 s SER 124 CO -0.00 -1.84 0.90 -0.90 0.41 0.00 0.00 173.24 171.81 1b99 n ASP 125 N -2.08 1.18 -3.54 2.44 5.68 -1.26 -4.76 116.55 114.22 1b99 n ASP 125 Ca 0.13 -1.09 -0.10 0.00 -0.50 0.00 0.00 54.79 53.23 1b99 n ASP 125 Cb 0.50 0.89 -0.02 0.00 -1.14 0.00 0.00 41.12 41.35 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 -2.79 -0.45 0.50 -1.12 1.04 -1.26 -4.95 113.70 104.67 1b99 s SER 126 Ca 0.10 -0.14 0.21 0.00 0.48 0.00 0.00 55.95 56.60 1b99 s SER 126 Cb 0.16 0.58 1.31 0.00 0.10 0.00 0.00 66.02 68.16 1b99 s SER 126 CO 0.77 -0.97 2.09 0.58 0.98 0.00 0.00 173.24 176.69 1b99 h VAL 127 N 2.00 0.86 -0.17 5.02 2.07 -1.95 0.20 116.25 124.28 1b99 h VAL 127 Ca -0.28 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 66.76 1b99 h VAL 127 Cb 1.28 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1b99 h VAL 127 CO 0.33 0.10 -0.26 -0.33 0.02 0.00 0.00 177.57 177.43 1b99 h GLU 128 N 0.00 0.47 -0.23 1.57 5.08 -1.97 -2.48 114.58 117.03 1b99 h GLU 128 Ca -0.00 -0.28 -0.17 0.00 -1.00 0.00 0.00 59.36 57.90 1b99 h GLU 128 Cb 0.21 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1b99 h GLU 128 CO 0.01 0.88 -0.56 0.77 -1.00 0.00 0.00 179.01 179.12 1b99 h SER 129 N 0.11 0.77 0.37 1.42 0.02 -1.79 -2.77 113.55 111.69 1b99 h SER 129 Ca 0.01 -0.42 -0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1b99 h SER 129 Cb 0.84 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 1b99 h SER 129 CO 0.06 1.17 -0.37 0.00 -1.14 0.00 0.00 176.83 176.55 1b99 h ALA 130 N 0.84 -0.81 -0.77 3.77 0.00 -0.64 0.24 119.26 121.90 1b99 h ALA 130 Ca 0.01 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1b99 h ALA 130 Cb 1.13 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 1b99 h ALA 130 CO 0.11 -0.99 0.50 -0.91 0.00 0.00 0.00 179.25 177.96 1b99 h ASN 131 N -0.77 0.69 0.00 0.00 2.35 -1.47 0.13 115.58 116.51 1b99 h ASN 131 Ca -0.03 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1b99 h ASN 131 Cb 0.69 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1b99 h ASN 131 CO -0.07 0.43 -0.00 -0.09 -1.65 0.00 0.00 177.43 176.05 1b99 h ARG 132 N 0.77 -0.01 -0.51 0.81 2.43 -1.21 -2.93 114.38 113.75 1b99 h ARG 132 Ca 0.34 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.43 1b99 h ARG 132 Cb 0.32 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1b99 h ARG 132 CO -0.12 0.40 -0.01 0.93 -1.51 0.00 0.00 179.97 179.65 1b99 h GLU 133 N -0.41 0.86 -0.71 0.20 5.08 -0.34 -1.65 114.58 117.62 1b99 h GLU 133 Ca -0.00 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1b99 h GLU 133 Cb 0.40 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1b99 h GLU 133 CO 0.00 0.87 0.43 0.82 -1.00 0.00 0.00 179.01 180.13 1b99 h ILE 134 N 0.80 1.20 0.00 3.13 2.04 -0.82 -0.70 117.51 123.15 1b99 h ILE 134 Ca 0.15 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 1b99 h ILE 134 Cb 0.49 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1b99 h ILE 134 CO 0.02 0.20 -0.19 0.00 0.00 0.00 0.00 178.15 178.19 1b99 h ALA 135 N 1.23 0.97 -0.01 1.87 0.00 -1.30 0.44 119.26 122.47 1b99 h ALA 135 Ca 0.25 -0.17 -0.26 0.00 0.00 0.00 0.00 54.91 54.74 1b99 h ALA 135 Cb -0.05 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.73 1b99 h ALA 135 CO -0.05 0.24 -1.01 1.25 0.00 0.00 0.00 179.25 179.68 1b99 h LEU 136 N 0.00 0.83 0.00 0.00 6.46 -0.21 -3.37 115.31 119.02 1b99 h LEU 136 Ca -0.00 -0.66 -0.17 0.00 -0.12 0.00 0.00 57.88 56.93 1b99 h LEU 136 Cb 0.80 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 40.45 1b99 h LEU 136 CO 0.02 1.46 -2.12 0.79 -0.62 0.00 0.00 178.44 177.98 1b99 n TRP 137 N -3.83 0.07 -5.25 1.25 7.02 -0.48 -4.98 117.44 111.25 1b99 n TRP 137 Ca -0.10 0.02 -0.30 0.00 -1.02 0.00 0.00 57.50 56.10 1b99 n TRP 137 Cb 0.87 -0.75 -0.16 0.00 -2.42 0.00 0.00 31.31 28.84 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 -3.05 2.24 0.21 -5.99 0.08 0.14 -5.10 117.98 106.51 1b99 s PHE 138 Ca -0.08 -0.42 -0.17 0.00 0.12 0.00 0.00 56.93 56.37 1b99 s PHE 138 Cb 0.10 -1.44 -0.08 0.00 -0.57 0.00 0.00 43.02 41.03 1b99 s PHE 138 CO 0.87 -0.03 0.66 0.15 -0.10 0.00 0.00 175.22 176.76 1b99 s LYS 139 N -0.61 4.11 0.39 0.44 -0.14 -1.26 -4.46 119.74 118.21 1b99 s LYS 139 Ca 0.10 0.68 0.17 0.00 -1.36 0.00 0.00 55.97 55.57 1b99 s LYS 139 Cb -0.10 -2.84 1.08 0.00 -1.68 0.00 0.00 37.83 34.29 1b99 s LYS 139 CO -0.01 0.39 1.78 -1.35 -0.76 0.00 0.00 175.35 175.40 1b99 h PRO 140 N 3.30 0.41 0.00 -1.68 0.11 -1.95 0.15 132.00 132.34 1b99 h PRO 140 Ca -0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1b99 h PRO 140 Cb 1.19 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1b99 h PRO 140 CO 0.66 0.27 -0.02 0.93 -0.21 0.00 0.00 178.00 179.62 1b99 h GLU 141 N 0.42 0.00 -0.06 1.05 3.07 -2.03 -2.65 114.58 114.38 1b99 h GLU 141 Ca 0.58 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.44 1b99 h GLU 141 Cb 1.44 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.35 1b99 h GLU 141 CO -0.29 0.02 0.00 0.39 -1.40 0.00 0.00 179.01 177.73 1b99 n GLU 142 N -3.19 1.75 -4.64 2.33 1.02 0.54 -4.88 120.64 113.57 1b99 n GLU 142 Ca -0.01 -1.10 -0.33 0.00 -0.02 0.00 0.00 57.16 55.70 1b99 n GLU 142 Cb 0.21 -1.46 -0.12 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 -1.89 3.00 0.35 -4.62 1.43 -1.00 -4.56 118.68 111.39 1b99 s LEU 143 Ca 0.36 -0.15 -0.25 0.00 -1.03 0.00 0.00 54.13 53.05 1b99 s LEU 143 Cb 0.20 -1.68 -0.09 0.00 0.03 0.00 0.00 46.19 44.65 1b99 s LEU 143 CO 0.32 0.32 1.01 -0.76 0.23 0.00 0.00 176.35 177.47 1b99 s LEU 144 N -1.07 4.27 -0.20 1.79 1.43 -0.63 -4.99 118.68 119.29 1b99 s LEU 144 Ca 0.14 1.98 -0.17 0.00 -1.03 0.00 0.00 54.13 55.05 1b99 s LEU 144 Cb -0.11 -4.05 -0.12 0.00 0.03 0.00 0.00 46.19 41.94 1b99 s LEU 144 CO 0.04 -0.27 -0.03 0.41 0.23 0.00 0.00 176.35 176.72 1b99 n THR 145 N 0.34 1.50 -2.50 5.49 -1.04 -1.26 -4.89 114.28 111.92 1b99 n THR 145 Ca 0.03 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.63 1b99 n THR 145 Cb 0.49 -2.14 -0.04 0.00 -1.82 0.00 0.00 70.33 66.82 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 -2.40 4.55 -0.07 -2.82 8.01 -1.26 -5.00 118.70 119.72 1b99 s GLU 146 Ca -0.26 1.72 -0.09 0.00 0.01 0.00 0.00 54.97 56.35 1b99 s GLU 146 Cb 0.06 -3.30 -0.03 0.00 -4.31 0.00 0.00 34.13 26.55 1b99 s GLU 146 CO 0.46 -0.01 -0.17 1.55 0.01 0.00 0.00 175.26 177.09 1b99 n VAL 147 N 2.77 0.97 -2.82 2.63 3.14 -1.26 -5.08 118.33 118.67 1b99 n VAL 147 Ca 0.04 0.26 -0.00 0.00 -2.96 0.00 0.00 64.34 61.68 1b99 n VAL 147 Cb 0.46 -1.90 0.00 0.00 -1.06 0.00 0.00 33.84 31.35 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 -3.66 -1.15 -2.93 1.45 5.02 -1.26 -5.00 118.16 110.63 1b99 n LYS 148 Ca -0.07 1.37 -0.38 0.00 -2.02 0.00 0.00 58.31 57.21 1b99 n LYS 148 Cb 0.26 -5.14 -0.06 0.00 -0.02 0.00 0.00 35.03 30.07 1b99 n LYS 148 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1b99 s PRO 149 N -2.98 4.51 -0.33 1.97 0.04 -1.26 -4.96 135.00 131.99 1b99 s PRO 149 Ca 0.01 1.16 -0.44 0.00 0.04 0.00 0.00 61.00 61.76 1b99 s PRO 149 Cb -0.00 -3.00 -0.20 0.00 0.04 0.00 0.00 34.50 31.34 1b99 s PRO 149 CO 0.64 0.42 1.45 -1.71 0.04 0.00 0.00 177.00 177.84 1b99 n ASN 150 N 0.99 0.93 0.07 6.66 2.85 -1.26 -4.79 115.26 120.70 1b99 n ASN 150 Ca -0.02 1.17 0.07 0.00 -0.11 0.00 0.00 54.58 55.70 1b99 n ASN 150 Cb 0.50 -0.91 0.33 0.00 1.24 0.00 0.00 39.78 40.94 1b99 n ASN 150 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1b99 n PRO 151 N 3.32 0.08 -0.10 1.20 -0.04 -1.26 -1.90 135.00 136.29 1b99 n PRO 151 Ca 0.27 0.44 0.10 0.00 -0.04 0.00 0.00 63.50 64.27 1b99 n PRO 151 Cb -0.01 -1.69 0.33 0.00 -0.04 0.00 0.00 33.50 32.10 1b99 n PRO 151 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1b99 n ASN 152 N -1.84 1.75 -0.12 3.54 3.02 -1.26 -3.84 115.26 116.51 1b99 n ASN 152 Ca 0.01 -1.77 -0.23 0.00 -0.03 0.00 0.00 54.58 52.57 1b99 n ASN 152 Cb 0.11 -0.13 -0.11 0.00 -0.61 0.00 0.00 39.78 39.03 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 0.39 2.53 -4.46 3.41 4.77 -0.80 -5.00 117.00 117.84 1b99 n LEU 153 Ca 0.15 0.09 -0.31 0.00 -0.03 0.00 0.00 56.01 55.91 1b99 n LEU 153 Cb 0.33 -0.89 -0.13 0.00 -2.33 0.00 0.00 43.42 40.40 1b99 n LEU 153 CO 0.12 0.77 -0.48 -0.31 -1.33 0.00 0.00 177.39 176.16 1b99 s TYR 154 N -2.51 2.59 -2.26 -1.77 2.02 -1.25 -5.13 117.35 109.04 1b99 s TYR 154 Ca -0.35 -0.23 0.30 0.00 -0.37 0.00 0.00 57.07 56.41 1b99 s TYR 154 Cb 0.11 -1.50 1.47 0.00 -0.40 0.00 0.00 41.96 41.63 1b99 s TYR 154 CO 0.57 0.23 1.98 -1.91 -1.57 0.00 0.00 175.55 174.86