#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 2.86 -2.04 6.55 4.13 -1.26 -4.13 115.26 121.37 1b99 n ASN 7 Ca 0.00 -1.97 -0.13 0.00 1.68 0.00 0.00 54.58 54.17 1b99 n ASN 7 Cb 0.00 -0.32 0.24 0.00 -1.54 0.00 0.00 39.78 38.16 1b99 n ASN 7 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1b99 n LYS 8 N 1.07 3.03 -2.94 3.52 5.02 -1.26 -3.00 118.16 123.60 1b99 n LYS 8 Ca 0.18 -2.88 -0.38 0.00 -2.02 0.00 0.00 58.31 53.21 1b99 n LYS 8 Cb 0.47 -2.15 -0.06 0.00 -0.02 0.00 0.00 35.03 33.26 1b99 n LYS 8 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1b99 s GLU 9 N -2.95 4.53 0.14 1.97 2.12 -1.22 -4.84 118.70 118.43 1b99 s GLU 9 Ca 0.53 1.17 0.06 0.00 0.36 0.00 0.00 54.97 57.09 1b99 s GLU 9 Cb 0.43 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.73 1b99 s GLU 9 CO 0.12 0.45 -0.14 1.03 -0.54 0.00 0.00 175.26 176.18 1b99 s ARG 10 N -1.58 1.08 0.06 4.30 0.52 -1.26 -0.72 118.95 121.35 1b99 s ARG 10 Ca 0.42 -1.30 -0.01 0.00 -0.52 0.00 0.00 55.73 54.31 1b99 s ARG 10 Cb -0.21 -0.97 -0.04 0.00 0.52 0.00 0.00 34.95 34.26 1b99 s ARG 10 CO 0.25 0.18 -0.01 -0.08 0.02 0.00 0.00 175.30 175.66 1b99 s THR 11 N -2.25 0.21 -0.23 0.02 -1.32 -0.89 -4.70 115.64 106.47 1b99 s THR 11 Ca 0.11 -1.79 -0.05 0.00 -1.21 0.00 0.00 61.69 58.76 1b99 s THR 11 Cb -0.04 -1.56 -0.01 0.00 -1.51 0.00 0.00 72.50 69.37 1b99 s THR 11 CO 0.04 -0.93 -0.01 0.12 -2.21 0.00 0.00 174.62 171.62 1b99 s PHE 12 N -3.93 2.99 0.14 9.09 5.36 -1.26 -2.71 117.98 127.67 1b99 s PHE 12 Ca 0.09 -0.79 0.08 0.00 -0.96 0.00 0.00 56.93 55.35 1b99 s PHE 12 Cb 0.08 -2.14 -0.04 0.00 -0.34 0.00 0.00 43.02 40.57 1b99 s PHE 12 CO -0.09 -0.50 -0.12 -0.51 -1.46 0.00 0.00 175.22 172.55 1b99 s LEU 13 N 1.52 2.93 -0.15 6.12 1.43 -0.07 -2.35 118.68 128.11 1b99 s LEU 13 Ca 0.06 -0.52 -0.05 0.00 -1.03 0.00 0.00 54.13 52.60 1b99 s LEU 13 Cb -0.14 -1.68 0.07 0.00 0.03 0.00 0.00 46.19 44.47 1b99 s LEU 13 CO -0.01 0.14 0.28 0.00 0.23 0.00 0.00 176.35 176.99 1b99 s ALA 14 N -1.42 -0.62 -0.24 4.21 0.00 -0.52 -1.26 121.76 121.92 1b99 s ALA 14 Ca 0.22 0.93 -0.29 0.00 0.00 0.00 0.00 51.96 52.82 1b99 s ALA 14 Cb -0.10 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 21.91 1b99 s ALA 14 CO 0.13 -0.74 1.13 0.08 0.00 0.00 0.00 175.76 176.36 1b99 s VAL 15 N 2.44 4.50 0.72 0.00 1.01 -0.43 -0.91 120.40 127.72 1b99 s VAL 15 Ca 0.02 1.79 -0.11 0.00 0.00 0.00 0.00 61.98 63.68 1b99 s VAL 15 Cb -0.13 -4.24 0.03 0.00 0.00 0.00 0.00 36.38 32.05 1b99 s VAL 15 CO -0.10 -0.25 1.09 -0.54 0.00 0.00 0.00 175.10 175.31 1b99 s LYS 16 N 3.45 2.62 0.29 2.72 1.02 0.25 -2.03 119.74 128.05 1b99 s LYS 16 Ca 0.48 0.30 0.11 0.00 0.02 0.00 0.00 55.97 56.87 1b99 s LYS 16 Cb -0.16 -2.04 0.91 0.00 -0.52 0.00 0.00 37.83 36.02 1b99 s LYS 16 CO 0.11 -1.15 1.30 -2.30 -0.92 0.00 0.00 175.35 172.40 1b99 n PRO 17 N -3.04 -0.06 0.04 -1.68 -0.02 -1.23 0.47 135.00 129.48 1b99 n PRO 17 Ca 0.07 1.19 -0.10 0.00 -2.02 0.00 0.00 63.50 62.64 1b99 n PRO 17 Cb 0.58 -2.02 0.03 0.00 -0.02 0.00 0.00 33.50 32.08 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 0.53 -0.23 2.55 2.03 -1.89 0.20 116.42 119.61 1b99 h ASP 18 Ca 0.62 -0.33 -0.15 0.00 -0.73 0.00 0.00 57.03 56.44 1b99 h ASP 18 Cb 1.51 -0.15 -0.01 0.00 -0.83 0.00 0.00 39.33 39.85 1b99 h ASP 18 CO -0.70 1.06 -0.40 1.23 -1.03 0.00 0.00 179.24 179.40 1b99 h GLY 19 N 1.20 0.85 0.64 7.15 0.00 -0.15 -1.98 103.07 110.78 1b99 h GLY 19 Ca -0.02 -0.86 -0.04 0.00 0.00 0.00 0.00 47.33 46.41 1b99 h GLY 19 CO 0.12 0.78 -0.10 -2.08 0.00 0.00 0.00 176.54 175.26 1b99 h VAL 20 N 0.64 1.38 0.00 4.60 2.07 -1.09 -0.50 116.25 123.34 1b99 h VAL 20 Ca 0.05 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.27 1b99 h VAL 20 Cb 0.95 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 1b99 h VAL 20 CO 0.09 0.36 0.00 0.00 0.02 0.00 0.00 177.57 178.04 1b99 h ALA 21 N 0.55 1.00 -0.62 1.67 0.00 -0.58 -1.91 119.26 119.37 1b99 h ALA 21 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1b99 h ALA 21 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1b99 h ALA 21 CO 0.02 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.81 1b99 n ARG 22 N -2.31 2.67 -2.58 0.00 1.74 -0.75 -4.96 116.66 110.47 1b99 n ARG 22 Ca 0.01 -2.53 -0.13 0.00 -0.77 0.00 0.00 57.85 54.43 1b99 n ARG 22 Cb 0.17 -1.54 0.01 0.00 -1.02 0.00 0.00 32.46 30.09 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 1.55 -0.05 0.54 -0.13 0.00 -0.72 -4.93 105.19 101.45 1b99 n GLY 23 Ca 0.22 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.28 2.04 0.06 0.99 4.77 -0.21 -4.62 117.00 117.75 1b99 n LEU 24 Ca -0.09 -0.73 -0.13 0.00 -0.03 0.00 0.00 56.01 55.04 1b99 n LEU 24 Cb 0.58 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.58 1b99 n LEU 24 CO 0.25 0.37 0.51 0.58 -1.33 0.00 0.00 177.39 177.77 1b99 h VAL 25 N 2.63 0.00 -0.58 4.08 2.07 -1.87 -2.10 116.25 120.49 1b99 h VAL 25 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1b99 h VAL 25 Cb 0.76 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1b99 h VAL 25 CO 0.00 0.00 0.38 1.23 0.02 0.00 0.00 177.57 179.20 1b99 h GLY 26 N -0.56 0.80 0.97 2.17 0.00 -1.97 -1.91 103.07 102.59 1b99 h GLY 26 Ca 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1b99 h GLY 26 CO -0.27 0.29 0.24 -2.09 0.00 0.00 0.00 176.54 174.72 1b99 h GLU 27 N 0.77 0.67 -0.14 4.80 4.57 -1.76 -0.79 114.58 122.70 1b99 h GLU 27 Ca 0.21 -0.09 -0.04 0.00 -1.18 0.00 0.00 59.36 58.27 1b99 h GLU 27 Cb -0.07 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.39 1b99 h GLU 27 CO -0.05 0.54 -0.07 0.82 -1.18 0.00 0.00 179.01 179.08 1b99 h ILE 28 N 0.62 1.32 -0.37 2.32 2.04 -1.06 -2.48 117.51 119.89 1b99 h ILE 28 Ca 0.16 -1.11 0.03 0.00 1.00 0.00 0.00 64.86 64.94 1b99 h ILE 28 Cb 0.08 1.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.89 1b99 h ILE 28 CO -0.02 0.32 0.19 0.40 0.00 0.00 0.00 178.15 179.03 1b99 h ILE 29 N -0.05 0.98 -0.96 -0.67 2.04 -1.28 -2.22 117.51 115.35 1b99 h ILE 29 Ca 0.03 -0.13 0.12 0.00 1.00 0.00 0.00 64.86 65.88 1b99 h ILE 29 Cb 0.54 0.56 -0.08 0.00 -0.74 0.00 0.00 36.82 37.10 1b99 h ILE 29 CO 0.02 0.07 0.61 0.00 0.00 0.00 0.00 178.15 178.85 1b99 h ALA 30 N 1.20 1.60 -0.74 1.87 0.00 -1.07 -1.52 119.26 120.59 1b99 h ALA 30 Ca 0.16 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1b99 h ALA 30 Cb 0.07 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1b99 h ALA 30 CO -0.11 0.17 0.47 0.00 0.00 0.00 0.00 179.25 179.79 1b99 h ARG 31 N 0.92 0.91 -0.09 0.00 3.08 -0.92 -0.79 114.38 117.49 1b99 h ARG 31 Ca 0.47 -0.05 -0.20 0.00 0.07 0.00 0.00 59.98 60.26 1b99 h ARG 31 Cb 0.50 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1b99 h ARG 31 CO -0.23 0.60 -0.78 1.88 -1.07 0.00 0.00 179.97 180.38 1b99 h TYR 32 N 0.94 0.72 -0.63 3.04 0.05 -1.22 -2.97 116.97 116.89 1b99 h TYR 32 Ca 0.29 -0.33 -0.08 0.00 0.05 0.00 0.00 58.73 58.66 1b99 h TYR 32 Cb -0.02 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 1b99 h TYR 32 CO -0.03 1.12 0.07 0.93 -1.05 0.00 0.00 178.16 179.19 1b99 h GLU 33 N 0.35 1.07 -0.04 4.88 5.08 -0.95 -2.52 114.58 122.45 1b99 h GLU 33 Ca -0.05 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 57.96 1b99 h GLU 33 Cb 1.37 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1b99 h GLU 33 CO 0.14 1.01 -0.22 0.87 -1.00 0.00 0.00 179.01 179.81 1b99 h LYS 34 N 0.98 0.07 0.00 2.33 1.57 -1.16 -2.85 116.57 117.51 1b99 h LYS 34 Ca 0.19 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.85 1b99 h LYS 34 Cb 0.48 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1b99 h LYS 34 CO 0.02 0.29 -0.49 -0.22 -0.57 0.00 0.00 179.45 178.48 1b99 h LYS 35 N 0.07 0.00 0.00 3.15 1.63 -1.29 -3.47 116.57 116.65 1b99 h LYS 35 Ca 0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1b99 h LYS 35 Cb 0.43 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1b99 h LYS 35 CO 0.03 0.49 0.00 0.41 -3.45 0.00 0.00 179.45 176.93 1b99 n GLY 36 N -0.13 1.18 3.84 5.01 0.00 -1.07 -5.12 105.19 108.90 1b99 n GLY 36 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 3.53 -0.20 1.61 0.08 -1.13 -4.87 117.98 115.00 1b99 s PHE 37 Ca 0.00 1.23 -0.10 0.00 0.12 0.00 0.00 56.93 58.17 1b99 s PHE 37 Cb 0.00 -2.51 -0.05 0.00 -0.57 0.00 0.00 43.02 39.89 1b99 s PHE 37 CO 0.00 0.27 0.14 0.08 -0.10 0.00 0.00 175.22 175.61 1b99 s VAL 38 N -1.68 5.40 -0.55 -0.44 1.01 -0.12 -4.50 120.40 119.53 1b99 s VAL 38 Ca 0.46 0.20 -0.28 0.00 0.00 0.00 0.00 61.98 62.36 1b99 s VAL 38 Cb -0.14 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1b99 s VAL 38 CO 0.20 0.43 1.53 -0.22 0.00 0.00 0.00 175.10 177.03 1b99 s LEU 39 N 0.42 3.39 0.08 3.92 2.96 -1.26 -0.29 118.68 127.90 1b99 s LEU 39 Ca 0.08 0.39 0.23 0.00 -0.22 0.00 0.00 54.13 54.61 1b99 s LEU 39 Cb -0.11 -3.01 0.01 0.00 0.50 0.00 0.00 46.19 43.58 1b99 s LEU 39 CO -0.01 -1.82 0.99 0.52 -1.32 0.00 0.00 176.35 174.70 1b99 n VAL 40 N 6.97 0.27 -3.57 1.68 0.31 0.10 -4.93 118.33 119.16 1b99 n VAL 40 Ca 0.15 -0.35 -0.16 0.00 -0.01 0.00 0.00 64.34 63.97 1b99 n VAL 40 Cb 0.49 0.03 -0.06 0.00 -0.91 0.00 0.00 33.84 33.39 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 -3.93 -0.54 -0.27 2.92 0.00 -1.12 -1.24 107.32 103.14 1b99 s GLY 41 Ca 0.01 1.64 -0.15 0.00 0.00 0.00 0.00 44.72 46.23 1b99 s GLY 41 CO 0.81 1.27 0.67 -2.27 0.00 0.00 0.00 173.10 173.58 1b99 s LEU 42 N -0.58 -0.91 -0.04 0.66 2.96 -1.26 -1.38 118.68 118.13 1b99 s LEU 42 Ca -0.06 1.49 -0.29 0.00 -0.22 0.00 0.00 54.13 55.04 1b99 s LEU 42 Cb -0.02 2.32 0.10 0.00 0.50 0.00 0.00 46.19 49.08 1b99 s LEU 42 CO 0.06 -0.24 0.82 -1.59 -1.32 0.00 0.00 176.35 174.08 1b99 s LYS 43 N 1.72 0.89 -0.06 1.98 -2.85 -0.50 -5.02 119.74 115.90 1b99 s LYS 43 Ca -0.10 -0.02 0.02 0.00 -1.00 0.00 0.00 55.97 54.87 1b99 s LYS 43 Cb -0.06 0.41 -0.03 0.00 -2.06 0.00 0.00 37.83 36.10 1b99 s LYS 43 CO -0.19 -0.33 -0.11 -1.14 0.10 0.00 0.00 175.35 173.68 1b99 s GLN 44 N -2.02 2.64 0.18 1.78 0.74 -1.26 -0.76 119.66 120.95 1b99 s GLN 44 Ca -0.02 -0.64 -0.23 0.00 0.05 0.00 0.00 55.36 54.52 1b99 s GLN 44 Cb -0.01 -2.48 0.06 0.00 1.10 0.00 0.00 33.01 31.69 1b99 s GLN 44 CO -0.01 0.62 0.70 -0.48 -0.55 0.00 0.00 175.29 175.57 1b99 s LEU 45 N -0.71 -0.42 -0.36 3.68 2.34 -0.45 -4.96 118.68 117.81 1b99 s LEU 45 Ca 0.11 -0.22 -0.11 0.00 0.06 0.00 0.00 54.13 53.97 1b99 s LEU 45 Cb -0.11 2.53 0.02 0.00 -0.56 0.00 0.00 46.19 48.07 1b99 s LEU 45 CO 0.01 -1.04 0.19 -0.69 -1.06 0.00 0.00 176.35 173.76 1b99 s VAL 46 N -3.68 4.57 0.35 1.48 1.01 -1.26 0.47 120.40 123.34 1b99 s VAL 46 Ca 0.05 -0.75 -0.28 0.00 0.00 0.00 0.00 61.98 61.01 1b99 s VAL 46 Cb -0.03 -3.49 -0.12 0.00 0.00 0.00 0.00 36.38 32.75 1b99 s VAL 46 CO -0.05 -0.15 1.42 -2.65 0.00 0.00 0.00 175.10 173.67 1b99 n PRO 47 N 4.99 2.46 -3.31 2.72 -0.02 -1.26 -5.01 135.00 135.57 1b99 n PRO 47 Ca -0.12 0.86 -0.30 0.00 -2.02 0.00 0.00 63.50 61.92 1b99 n PRO 47 Cb 0.47 -2.54 -0.04 0.00 -0.02 0.00 0.00 33.50 31.37 1b99 n PRO 47 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1b99 s THR 48 N -0.96 4.97 0.21 3.45 -4.23 -1.26 -4.49 115.64 113.34 1b99 s THR 48 Ca 0.56 0.23 -0.13 0.00 -1.18 0.00 0.00 61.69 61.17 1b99 s THR 48 Cb -0.52 -3.70 0.23 0.00 1.34 0.00 0.00 72.50 69.86 1b99 s THR 48 CO 0.61 -0.27 1.63 0.50 -0.54 0.00 0.00 174.62 176.55 1b99 h LYS 49 N 1.88 0.02 -0.85 3.99 3.64 -1.95 0.28 116.57 123.58 1b99 h LYS 49 Ca -0.47 -0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.04 1b99 h LYS 49 Cb 1.18 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.91 1b99 h LYS 49 CO 0.67 0.01 0.44 -0.44 -2.27 0.00 0.00 179.45 177.86 1b99 h ASP 50 N 0.02 0.56 0.15 4.20 3.32 -1.98 0.30 116.42 122.98 1b99 h ASP 50 Ca 0.31 0.08 -0.20 0.00 0.02 0.00 0.00 57.03 57.24 1b99 h ASP 50 Cb 0.49 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1b99 h ASP 50 CO -0.64 0.25 -0.79 0.25 -1.72 0.00 0.00 179.24 176.60 1b99 h LEU 51 N 0.66 0.63 -0.20 1.55 5.85 -1.53 -0.82 115.31 121.46 1b99 h LEU 51 Ca 0.45 -0.43 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1b99 h LEU 51 Cb 0.60 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1b99 h LEU 51 CO -0.34 1.20 0.02 0.00 -0.34 0.00 0.00 178.44 178.98 1b99 h ALA 52 N 0.78 0.26 -0.23 1.25 0.00 0.39 0.37 119.26 122.08 1b99 h ALA 52 Ca -0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1b99 h ALA 52 Cb 1.39 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1b99 h ALA 52 CO 0.14 -0.05 0.08 0.93 0.00 0.00 0.00 179.25 180.36 1b99 h GLU 53 N 0.11 0.35 -0.10 0.00 5.08 -0.50 -0.90 114.58 118.63 1b99 h GLU 53 Ca 0.06 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1b99 h GLU 53 Cb 0.34 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1b99 h GLU 53 CO 0.01 0.42 0.06 1.03 -1.00 0.00 0.00 179.01 179.52 1b99 h SER 54 N 0.21 0.11 -0.67 1.42 0.87 -1.10 -1.42 113.55 112.97 1b99 h SER 54 Ca 0.07 -0.03 0.11 0.00 -1.23 0.00 0.00 61.79 60.71 1b99 h SER 54 Cb 0.21 -0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 62.06 1b99 h SER 54 CO -0.00 0.11 0.27 -0.74 -0.53 0.00 0.00 176.83 175.94 1b99 h HIS 55 N 0.11 0.48 -0.81 2.24 -0.00 -0.76 -2.02 115.15 114.40 1b99 h HIS 55 Ca 0.04 0.03 -0.35 0.00 -0.00 0.00 0.00 60.37 60.09 1b99 h HIS 55 Cb 0.01 -0.11 -0.21 0.00 -0.00 0.00 0.00 27.41 27.11 1b99 h HIS 55 CO -0.06 0.12 0.44 0.66 -0.00 0.00 0.00 177.93 179.08 1b99 n TYR 56 N -4.97 2.57 -0.23 5.26 4.01 -0.36 -4.71 117.16 118.73 1b99 n TYR 56 Ca 0.11 -1.44 0.01 0.00 -0.16 0.00 0.00 57.90 56.42 1b99 n TYR 56 Cb 0.31 -0.78 0.10 0.00 -0.31 0.00 0.00 39.34 38.66 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 1.84 0.54 0.00 -0.72 0.00 -0.48 0.81 119.26 121.25 1b99 h ALA 57 Ca 0.43 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.58 1b99 h ALA 57 Cb 2.49 0.47 0.00 0.00 0.00 0.00 0.00 17.79 20.74 1b99 h ALA 57 CO 0.86 -0.42 0.10 -0.85 0.00 0.00 0.00 179.25 178.95 1b99 n GLU 58 N -5.41 0.11 -0.09 0.00 0.28 -1.26 -0.51 120.64 113.75 1b99 n GLU 58 Ca 0.10 0.59 0.06 0.00 -0.16 0.00 0.00 57.16 57.75 1b99 n GLU 58 Cb 0.38 -1.95 0.11 0.00 1.43 0.00 0.00 31.44 31.41 1b99 n GLU 58 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1b99 n HIS 59 N -2.08 0.25 -0.24 -1.84 8.25 0.27 -4.67 115.22 115.16 1b99 n HIS 59 Ca -0.01 -0.24 0.32 0.00 -0.26 0.00 0.00 57.72 57.53 1b99 n HIS 59 Cb 0.13 -0.01 0.72 0.00 1.12 0.00 0.00 29.99 31.94 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 2.39 0.00 -0.02 -0.41 2.10 -0.72 0.26 116.57 120.17 1b99 h LYS 60 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1b99 h LYS 60 Cb 0.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 1b99 h LYS 60 CO 0.00 0.00 -0.19 0.39 -2.00 0.00 0.00 179.45 177.65 1b99 n GLU 61 N -3.96 1.82 -2.75 0.07 1.02 -1.26 -4.92 120.64 110.65 1b99 n GLU 61 Ca 0.22 -1.47 -0.29 0.00 -0.02 0.00 0.00 57.16 55.60 1b99 n GLU 61 Cb 1.18 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 31.11 1b99 n GLU 61 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1b99 s ARG 62 N -2.20 3.67 0.10 3.49 3.00 0.91 -5.01 118.95 122.92 1b99 s ARG 62 Ca 0.25 0.35 -0.24 0.00 0.00 0.00 0.00 55.73 56.09 1b99 s ARG 62 Cb 0.19 -2.38 -0.10 0.00 0.00 0.00 0.00 34.95 32.66 1b99 s ARG 62 CO 0.41 -0.11 1.69 -1.35 0.00 0.00 0.00 175.30 175.94 1b99 h PRO 63 N 0.82 -0.22 0.00 3.54 0.11 -1.93 -2.94 132.00 131.39 1b99 h PRO 63 Ca -0.47 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1b99 h PRO 63 Cb 1.19 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1b99 h PRO 63 CO 0.63 -0.14 0.00 1.97 -0.21 0.00 0.00 178.00 180.25 1b99 n PHE 64 N -5.24 0.58 -0.28 0.65 1.16 -1.26 -3.66 117.46 109.40 1b99 n PHE 64 Ca -0.06 0.26 0.09 0.00 -1.87 0.00 0.00 57.45 55.87 1b99 n PHE 64 Cb 0.16 -0.92 0.23 0.00 -1.61 0.00 0.00 39.48 37.35 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 0.27 -0.49 2.97 3.57 -1.71 0.54 116.94 122.09 1b99 h PHE 65 Ca 0.00 0.05 0.08 0.00 3.53 0.00 0.00 57.97 61.62 1b99 h PHE 65 Cb 0.17 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.85 1b99 h PHE 65 CO 0.00 -0.17 0.13 0.78 -2.23 0.00 0.00 178.31 176.82 1b99 h GLY 66 N 0.22 0.62 1.88 2.40 0.00 -1.81 -0.93 103.07 105.45 1b99 h GLY 66 Ca 0.49 -0.05 -0.11 0.00 0.00 0.00 0.00 47.33 47.65 1b99 h GLY 66 CO -0.61 -0.03 -0.49 -1.33 0.00 0.00 0.00 176.54 174.08 1b99 h GLY 67 N 0.28 0.14 0.74 4.60 0.00 -1.20 -2.25 103.07 105.38 1b99 h GLY 67 Ca 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 1b99 h GLY 67 CO -0.29 0.14 -0.05 1.41 0.00 0.00 0.00 176.54 177.75 1b99 h LEU 68 N 0.11 -0.12 -1.24 3.11 3.38 -0.51 -1.42 115.31 118.62 1b99 h LEU 68 Ca 0.00 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1b99 h LEU 68 Cb 0.90 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1b99 h LEU 68 CO 0.07 0.16 0.05 0.58 0.09 0.00 0.00 178.44 179.39 1b99 h VAL 69 N -0.40 1.19 -0.27 1.22 2.07 -1.18 -1.71 116.25 117.16 1b99 h VAL 69 Ca -0.01 -0.72 -0.13 0.00 0.82 0.00 0.00 66.70 66.66 1b99 h VAL 69 Cb 0.33 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1b99 h VAL 69 CO 0.02 0.25 -0.34 0.28 0.02 0.00 0.00 177.57 177.81 1b99 h SER 70 N 0.55 0.77 0.03 0.57 0.02 -1.33 -3.19 113.55 110.97 1b99 h SER 70 Ca 0.12 -0.49 -0.20 0.00 -0.84 0.00 0.00 61.79 60.38 1b99 h SER 70 Cb 0.28 -0.22 0.02 0.00 0.14 0.00 0.00 62.40 62.62 1b99 h SER 70 CO 0.00 1.11 -0.78 0.15 -1.14 0.00 0.00 176.83 176.17 1b99 h PHE 71 N 0.44 0.73 0.00 3.45 3.57 -1.14 -2.73 116.94 121.27 1b99 h PHE 71 Ca 0.03 -0.42 0.00 0.00 3.53 0.00 0.00 57.97 61.12 1b99 h PHE 71 Cb 0.92 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.58 1b99 h PHE 71 CO 0.08 1.25 0.00 0.97 -2.23 0.00 0.00 178.31 178.38 1b99 h ILE 72 N 0.01 0.00 -0.23 1.41 2.10 -1.43 0.58 117.51 119.95 1b99 h ILE 72 Ca -0.10 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.64 1b99 h ILE 72 Cb 1.49 1.13 0.00 0.00 -1.09 0.00 0.00 36.82 38.34 1b99 h ILE 72 CO 0.15 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 177.57 1b99 n THR 73 N -2.94 0.34 1.17 2.19 -2.24 -1.20 -4.25 114.28 107.35 1b99 n THR 73 Ca -0.01 -0.67 0.14 0.00 -2.27 0.00 0.00 64.05 61.24 1b99 n THR 73 Cb 0.16 1.10 0.67 0.00 -2.10 0.00 0.00 70.33 70.16 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 1.19 0.00 -2.32 3.42 3.41 0.19 -4.77 113.62 114.75 1b99 n SER 74 Ca 0.15 0.20 -0.00 0.00 -0.26 0.00 0.00 58.87 58.95 1b99 n SER 74 Cb 0.52 -0.40 0.01 0.00 -0.26 0.00 0.00 64.21 64.08 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 1.33 0.74 3.77 5.00 0.00 -1.26 -5.10 105.19 109.67 1b99 n GLY 75 Ca 0.10 -1.01 -0.38 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.02 3.71 -0.02 1.61 0.04 -1.26 -4.28 135.00 132.79 1b99 s PRO 76 Ca 0.14 1.95 0.05 0.00 0.04 0.00 0.00 61.00 63.17 1b99 s PRO 76 Cb -0.01 -2.48 -0.01 0.00 0.04 0.00 0.00 34.50 32.04 1b99 s PRO 76 CO 0.02 -0.64 -0.16 0.08 0.04 0.00 0.00 177.00 176.34 1b99 s VAL 77 N -1.42 1.26 -0.54 -0.36 1.01 0.18 -3.57 120.40 116.96 1b99 s VAL 77 Ca 0.63 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.83 1b99 s VAL 77 Cb -0.33 -1.06 0.14 0.00 0.00 0.00 0.00 36.38 35.13 1b99 s VAL 77 CO 0.41 0.36 0.44 -0.69 0.00 0.00 0.00 175.10 175.61 1b99 s VAL 78 N -0.33 4.50 0.25 2.92 1.01 -0.86 -1.34 120.40 126.55 1b99 s VAL 78 Ca 0.05 -1.96 -0.22 0.00 0.00 0.00 0.00 61.98 59.86 1b99 s VAL 78 Cb -0.07 -3.92 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 1b99 s VAL 78 CO -0.00 -0.84 0.80 0.00 0.00 0.00 0.00 175.10 175.06 1b99 s ALA 79 N 1.09 3.35 0.05 5.51 0.00 0.06 -1.32 121.76 130.50 1b99 s ALA 79 Ca 0.08 0.29 -0.25 0.00 0.00 0.00 0.00 51.96 52.08 1b99 s ALA 79 Cb -0.24 -2.94 0.06 0.00 0.00 0.00 0.00 23.12 20.00 1b99 s ALA 79 CO -0.01 0.28 0.59 0.00 0.00 0.00 0.00 175.76 176.61 1b99 s MET 80 N -1.99 1.10 -0.12 0.00 0.23 -0.39 -1.41 119.30 116.72 1b99 s MET 80 Ca 0.45 -0.15 0.01 0.00 -1.03 0.00 0.00 55.69 54.96 1b99 s MET 80 Cb -0.17 0.51 0.02 0.00 -1.53 0.00 0.00 34.83 33.66 1b99 s MET 80 CO 0.22 -0.41 -0.12 0.08 -2.03 0.00 0.00 175.02 172.76 1b99 s VAL 81 N -2.42 1.36 0.00 5.16 1.01 -0.48 -0.89 120.40 124.15 1b99 s VAL 81 Ca -0.05 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.44 1b99 s VAL 81 Cb -0.01 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 1b99 s VAL 81 CO -0.01 0.42 -0.11 -0.36 0.00 0.00 0.00 175.10 175.04 1b99 s PHE 82 N 1.32 2.78 0.06 5.22 0.08 -1.10 0.03 117.98 126.36 1b99 s PHE 82 Ca -0.00 -0.11 0.09 0.00 0.12 0.00 0.00 56.93 57.03 1b99 s PHE 82 Cb -0.14 -1.58 -0.03 0.00 -0.57 0.00 0.00 43.02 40.71 1b99 s PHE 82 CO -0.06 0.31 -0.26 -2.00 -0.10 0.00 0.00 175.22 173.11 1b99 s GLU 83 N -1.31 1.72 0.00 0.44 2.12 0.61 -2.10 118.70 120.17 1b99 s GLU 83 Ca 0.16 -1.13 0.00 0.00 0.36 0.00 0.00 54.97 54.35 1b99 s GLU 83 Cb -0.11 -1.93 0.00 0.00 0.26 0.00 0.00 34.13 32.35 1b99 s GLU 83 CO 0.06 0.49 0.00 0.41 -0.54 0.00 0.00 175.26 175.68 1b99 n GLY 84 N 1.66 0.60 3.70 -1.50 0.00 0.10 -0.94 105.19 108.80 1b99 n GLY 84 Ca -0.17 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 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 4.26 -1.32 1.61 2.20 -1.25 -2.94 119.74 120.30 1b99 s LYS 85 Ca 0.00 2.15 -0.09 0.00 -0.36 0.00 0.00 55.97 57.67 1b99 s LYS 85 Cb 0.00 -3.46 0.06 0.00 -1.51 0.00 0.00 37.83 32.92 1b99 s LYS 85 CO 0.00 -0.60 0.50 0.41 -0.36 0.00 0.00 175.35 175.31 1b99 n GLY 86 N 3.73 -0.49 0.32 5.54 0.00 -1.26 -4.87 105.19 108.17 1b99 n GLY 86 Ca 0.14 0.09 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.02 1.21 -0.25 1.61 3.04 -1.80 -1.81 116.25 117.23 1b99 h VAL 87 Ca -0.44 -0.63 0.03 0.00 -1.01 0.00 0.00 66.70 64.64 1b99 h VAL 87 Cb 1.30 0.42 -0.03 0.00 -2.01 0.00 0.00 31.29 30.97 1b99 h VAL 87 CO 0.54 0.26 0.07 0.58 -1.01 0.00 0.00 177.57 178.01 1b99 h VAL 88 N 0.91 0.92 -0.02 1.51 2.07 -1.88 0.40 116.25 120.16 1b99 h VAL 88 Ca 0.22 -0.06 -0.21 0.00 0.82 0.00 0.00 66.70 67.47 1b99 h VAL 88 Cb 0.13 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1b99 h VAL 88 CO -0.03 0.03 -0.88 0.00 0.02 0.00 0.00 177.57 176.72 1b99 h ALA 89 N 1.16 0.44 -0.30 1.67 0.00 -1.87 -2.88 119.26 117.49 1b99 h ALA 89 Ca 0.11 -0.69 -0.12 0.00 0.00 0.00 0.00 54.91 54.22 1b99 h ALA 89 Cb 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1b99 h ALA 89 CO -0.12 0.82 -0.27 1.03 0.00 0.00 0.00 179.25 180.70 1b99 h SER 90 N 0.23 0.75 -0.46 0.00 0.87 -1.10 -1.26 113.55 112.57 1b99 h SER 90 Ca -0.06 -0.46 0.06 0.00 -1.23 0.00 0.00 61.79 60.10 1b99 h SER 90 Cb 1.50 -0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 63.19 1b99 h SER 90 CO 0.15 1.06 0.16 0.00 -0.53 0.00 0.00 176.83 177.67 1b99 h ALA 91 N 0.72 0.55 -0.46 6.23 0.00 -0.24 -0.16 119.26 125.90 1b99 h ALA 91 Ca 0.05 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1b99 h ALA 91 Cb 0.84 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1b99 h ALA 91 CO 0.07 -0.23 -0.10 0.00 0.00 0.00 0.00 179.25 179.00 1b99 h ARG 92 N 0.34 0.83 -0.74 0.00 3.08 -1.44 -0.57 114.38 115.88 1b99 h ARG 92 Ca 0.22 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1b99 h ARG 92 Cb 0.22 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 1b99 h ARG 92 CO -0.22 0.89 0.28 1.25 -1.07 0.00 0.00 179.97 181.10 1b99 h LEU 93 N 0.75 1.02 -0.49 3.04 5.85 -0.54 -2.02 115.31 122.91 1b99 h LEU 93 Ca 0.13 -0.16 -0.17 0.00 0.84 0.00 0.00 57.88 58.52 1b99 h LEU 93 Cb 0.59 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1b99 h LEU 93 CO 0.04 0.91 -0.67 0.24 -0.34 0.00 0.00 178.44 178.62 1b99 h MET 94 N 1.07 0.37 -0.11 1.25 2.86 -0.70 -3.23 114.93 116.44 1b99 h MET 94 Ca 0.25 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1b99 h MET 94 Cb 0.22 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 1b99 h MET 94 CO -0.02 0.91 0.03 0.82 1.06 0.00 0.00 176.91 179.71 1b99 h ILE 95 N 0.27 1.19 0.00 -1.22 2.04 -0.76 -0.84 117.51 118.18 1b99 h ILE 95 Ca -0.02 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.27 1b99 h ILE 95 Cb 1.22 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 1b99 h ILE 95 CO 0.11 0.17 0.00 0.61 0.00 0.00 0.00 178.15 179.04 1b99 n GLY 96 N -0.54 0.19 3.78 5.37 0.00 -0.79 -1.00 105.19 112.21 1b99 n GLY 96 Ca -0.06 -2.12 -0.23 0.00 0.00 0.00 0.00 46.02 43.62 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 2.72 0.28 1.61 -7.23 -1.26 -4.77 120.40 111.74 1b99 s VAL 97 Ca 0.00 -1.59 -0.06 0.00 -1.81 0.00 0.00 61.98 58.52 1b99 s VAL 97 Cb 0.00 -3.00 0.44 0.00 0.56 0.00 0.00 36.38 34.38 1b99 s VAL 97 CO 0.00 -0.07 1.51 0.41 -0.31 0.00 0.00 175.10 176.64 1b99 n THR 98 N -1.29 -0.41 -3.28 5.32 -1.04 -1.26 -3.88 114.28 108.44 1b99 n THR 98 Ca -0.01 2.21 -0.43 0.00 -2.04 0.00 0.00 64.05 63.78 1b99 n THR 98 Cb 0.62 -3.08 -0.08 0.00 -1.82 0.00 0.00 70.33 65.97 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 -5.21 6.22 0.51 8.00 3.04 -1.26 -4.68 114.94 121.56 1b99 s ASN 99 Ca -0.14 -0.56 0.21 0.00 0.04 0.00 0.00 52.86 52.40 1b99 s ASN 99 Cb 0.27 -2.24 1.29 0.00 -1.54 0.00 0.00 41.25 39.03 1b99 s ASN 99 CO 0.76 -0.60 2.02 1.55 -3.04 0.00 0.00 177.10 177.79 1b99 h PRO 100 N 8.73 0.09 0.00 0.43 0.13 -1.83 0.63 132.00 140.18 1b99 h PRO 100 Ca -0.26 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.83 1b99 h PRO 100 Cb 1.11 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1b99 h PRO 100 CO 0.81 0.06 -0.15 -0.07 -0.23 0.00 0.00 178.00 178.41 1b99 h LEU 101 N 0.09 0.00 -1.99 1.56 3.38 -1.79 -1.19 115.31 115.38 1b99 h LEU 101 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1b99 h LEU 101 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1b99 h LEU 101 CO -0.02 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.66 1b99 n ALA 102 N -2.32 2.45 -1.97 1.53 0.00 0.18 -4.92 120.51 115.45 1b99 n ALA 102 Ca -0.02 -0.74 -0.40 0.00 0.00 0.00 0.00 53.44 52.28 1b99 n ALA 102 Cb 0.26 -0.83 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.91 7.50 0.51 0.00 0.01 -0.45 -4.87 113.70 114.50 1b99 s SER 103 Ca 0.30 1.78 -0.21 0.00 1.31 0.00 0.00 55.95 59.13 1b99 s SER 103 Cb 0.21 -2.56 -0.06 0.00 0.21 0.00 0.00 66.02 63.81 1b99 s SER 103 CO 0.30 0.12 1.14 0.00 0.41 0.00 0.00 173.24 175.22 1b99 s ALA 104 N -0.85 2.80 0.31 1.44 0.00 -1.26 -4.40 121.76 119.79 1b99 s ALA 104 Ca 0.40 0.87 -0.29 0.00 0.00 0.00 0.00 51.96 52.94 1b99 s ALA 104 Cb -0.24 -3.37 -0.11 0.00 0.00 0.00 0.00 23.12 19.40 1b99 s ALA 104 CO 0.29 -0.73 1.49 -2.14 0.00 0.00 0.00 175.76 174.66 1b99 s PRO 105 N -3.06 4.19 0.00 0.00 0.02 -1.26 -2.45 135.00 132.43 1b99 s PRO 105 Ca 0.69 2.46 0.00 0.00 0.02 0.00 0.00 61.00 64.17 1b99 s PRO 105 Cb -0.26 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.23 1b99 s PRO 105 CO 0.30 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 176.89 1b99 n GLY 106 N 1.54 1.56 3.88 0.52 0.00 -1.26 -4.99 105.19 106.43 1b99 n GLY 106 Ca 0.05 -0.49 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.56 6.36 0.08 1.61 1.04 -1.03 -4.92 113.70 116.28 1b99 s SER 107 Ca 0.00 1.22 -0.36 0.00 0.48 0.00 0.00 55.95 57.29 1b99 s SER 107 Cb 0.00 -2.37 -0.18 0.00 0.10 0.00 0.00 66.02 63.57 1b99 s SER 107 CO 0.00 -0.63 1.57 0.40 0.98 0.00 0.00 173.24 175.56 1b99 h ILE 108 N 0.33 0.04 -0.66 -1.02 2.04 -1.01 -0.02 117.51 117.22 1b99 h ILE 108 Ca -0.46 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 1b99 h ILE 108 Cb 1.19 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1b99 h ILE 108 CO 0.62 0.00 0.36 0.03 0.00 0.00 0.00 178.15 179.16 1b99 h ARG 109 N -1.05 0.90 -0.36 2.37 3.08 -1.33 -1.33 114.38 116.67 1b99 h ARG 109 Ca -0.07 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 1b99 h ARG 109 Cb 0.89 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 1b99 h ARG 109 CO -0.00 0.66 0.11 0.78 -1.07 0.00 0.00 179.97 180.44 1b99 h GLY 110 N 0.96 0.55 1.10 0.04 0.00 -1.60 -0.11 103.07 104.02 1b99 h GLY 110 Ca 0.23 -0.27 -0.30 0.00 0.00 0.00 0.00 47.33 46.99 1b99 h GLY 110 CO -0.04 0.26 -1.63 -0.55 0.00 0.00 0.00 176.54 174.58 1b99 h ASP 111 N 0.51 0.19 0.00 0.19 3.32 -0.34 -3.43 116.42 116.85 1b99 h ASP 111 Ca 0.12 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1b99 h ASP 111 Cb 0.16 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1b99 h ASP 111 CO -0.01 1.28 -0.05 0.49 -1.72 0.00 0.00 179.24 179.23 1b99 n PHE 112 N -3.27 0.00 -4.05 4.55 3.72 -0.56 -5.08 117.46 112.77 1b99 n PHE 112 Ca -0.17 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 56.90 1b99 n PHE 112 Cb 1.04 0.00 -0.06 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 -0.98 2.05 0.00 1.37 0.00 -0.06 -5.00 107.32 104.70 1b99 s GLY 113 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.83 1b99 s GLY 113 CO 0.00 -0.80 0.00 1.55 0.00 0.00 0.00 173.10 173.85 1b99 n VAL 114 N 0.90 0.00 -4.58 1.40 3.14 -1.26 -4.19 118.33 113.74 1b99 n VAL 114 Ca -0.11 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.00 1b99 n VAL 114 Cb 0.52 0.12 -0.14 0.00 -1.06 0.00 0.00 33.84 33.28 1b99 n VAL 114 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1b99 s ASP 115 N -1.08 2.80 0.34 6.55 -1.08 -1.26 -4.49 116.67 118.45 1b99 s ASP 115 Ca 0.00 -0.62 0.16 0.00 -0.52 0.00 0.00 52.55 51.57 1b99 s ASP 115 Cb 0.00 -0.21 0.59 0.00 -1.46 0.00 0.00 42.92 41.84 1b99 s ASP 115 CO 0.00 0.16 1.71 1.62 0.52 0.00 0.00 175.17 179.18 1b99 h VAL 116 N 4.18 1.09 0.00 1.11 3.04 -1.97 -2.85 116.25 120.85 1b99 h VAL 116 Ca -0.46 -1.68 -0.07 0.00 -1.01 0.00 0.00 66.70 63.49 1b99 h VAL 116 Cb 1.16 1.97 -0.01 0.00 -2.01 0.00 0.00 31.29 32.40 1b99 h VAL 116 CO 0.42 0.44 -0.33 1.23 -1.01 0.00 0.00 177.57 178.31 1b99 h GLY 117 N 1.90 0.00 -5.74 3.17 0.00 -1.96 -3.29 103.07 97.15 1b99 h GLY 117 Ca -0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1b99 h GLY 117 CO 0.06 0.00 -0.53 0.54 0.00 0.00 0.00 176.54 176.61 1b99 n ARG 118 N -3.18 3.05 -1.24 4.80 5.12 -1.09 -4.90 116.66 119.23 1b99 n ARG 118 Ca 0.03 -4.78 -0.27 0.00 -1.93 0.00 0.00 57.85 50.90 1b99 n ARG 118 Cb 0.67 -2.26 0.15 0.00 -1.16 0.00 0.00 32.46 29.85 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 0.25 4.99 0.00 0.55 6.94 -1.15 -4.19 115.26 122.65 1b99 n ASN 119 Ca 0.31 -3.64 0.00 0.00 -0.02 0.00 0.00 54.58 51.23 1b99 n ASN 119 Cb 0.39 -0.88 0.00 0.00 -2.36 0.00 0.00 39.78 36.93 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 -1.04 0.00 -4.07 1.53 5.41 -1.26 -4.79 119.36 115.14 1b99 n ILE 120 Ca 0.60 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 64.24 1b99 n ILE 120 Cb 1.34 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 40.16 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 0.39 0.07 1.39 2.07 -1.26 -0.58 121.20 123.28 1b99 s ILE 121 Ca 0.00 -1.34 0.09 0.00 -1.41 0.00 0.00 60.65 57.99 1b99 s ILE 121 Cb 0.00 -0.90 -0.03 0.00 0.13 0.00 0.00 42.46 41.66 1b99 s ILE 121 CO 0.00 -0.63 -0.21 -2.28 -1.91 0.00 0.00 174.94 169.91 1b99 s HIS 122 N -2.32 2.46 -0.02 3.50 5.65 -0.09 -4.95 115.29 119.52 1b99 s HIS 122 Ca -0.04 -0.32 -0.07 0.00 0.25 0.00 0.00 55.06 54.88 1b99 s HIS 122 Cb -0.04 -1.39 0.01 0.00 -1.18 0.00 0.00 32.58 29.98 1b99 s HIS 122 CO -0.03 0.25 0.15 0.20 -0.65 0.00 0.00 174.74 174.67 1b99 s GLY 123 N -1.59 -0.02 0.44 1.59 0.00 -1.26 -1.44 107.32 105.04 1b99 s GLY 123 Ca 0.14 0.09 -0.24 0.00 0.00 0.00 0.00 44.72 44.71 1b99 s GLY 123 CO 0.05 -0.03 1.25 -0.56 0.00 0.00 0.00 173.10 173.81 1b99 s SER 124 N -0.88 6.17 0.00 1.64 0.01 -0.99 -4.94 113.70 114.72 1b99 s SER 124 Ca -0.10 2.51 0.24 0.00 1.31 0.00 0.00 55.95 59.92 1b99 s SER 124 Cb -0.05 -2.62 0.29 0.00 0.21 0.00 0.00 66.02 63.84 1b99 s SER 124 CO 0.01 -0.93 1.26 -0.90 0.41 0.00 0.00 173.24 173.09 1b99 n ASP 125 N -0.21 0.97 -3.46 2.44 5.68 -1.26 -4.78 116.55 115.93 1b99 n ASP 125 Ca 0.06 -0.77 -0.10 0.00 -0.50 0.00 0.00 54.79 53.47 1b99 n ASP 125 Cb 0.46 0.46 -0.02 0.00 -1.14 0.00 0.00 41.12 40.87 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 -2.82 -0.46 0.54 -1.12 1.04 -1.26 -4.95 113.70 104.67 1b99 s SER 126 Ca 0.14 -0.00 0.20 0.00 0.48 0.00 0.00 55.95 56.77 1b99 s SER 126 Cb 0.18 0.49 1.42 0.00 0.10 0.00 0.00 66.02 68.20 1b99 s SER 126 CO 0.69 -0.79 2.17 0.58 0.98 0.00 0.00 173.24 176.87 1b99 h VAL 127 N 2.00 0.87 -0.22 5.02 2.07 -1.93 0.32 116.25 124.38 1b99 h VAL 127 Ca -0.28 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 1b99 h VAL 127 Cb 1.27 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1b99 h VAL 127 CO 0.34 0.01 -0.10 -0.33 0.02 0.00 0.00 177.57 177.51 1b99 h GLU 128 N 0.00 0.45 -0.00 1.57 3.07 -1.97 -2.13 114.58 115.57 1b99 h GLU 128 Ca -0.00 -0.19 -0.17 0.00 -0.50 0.00 0.00 59.36 58.50 1b99 h GLU 128 Cb 0.01 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 1b99 h GLU 128 CO 0.00 0.72 -0.79 0.66 -1.40 0.00 0.00 179.01 178.20 1b99 h SER 129 N 0.16 0.08 0.29 1.42 4.64 -1.78 -2.91 113.55 115.45 1b99 h SER 129 Ca 0.05 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1b99 h SER 129 Cb 0.58 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1b99 h SER 129 CO 0.03 0.83 -0.21 0.00 -0.87 0.00 0.00 176.83 176.61 1b99 h ALA 130 N 1.16 -0.49 -0.14 5.18 0.00 -0.26 -0.23 119.26 124.49 1b99 h ALA 130 Ca -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1b99 h ALA 130 Cb 1.39 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1b99 h ALA 130 CO 0.11 -0.79 0.01 -0.91 0.00 0.00 0.00 179.25 177.67 1b99 h ASN 131 N -0.50 0.17 -0.03 0.00 2.35 -1.40 -0.69 115.58 115.48 1b99 h ASN 131 Ca -0.02 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 1b99 h ASN 131 Cb 0.44 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1b99 h ASN 131 CO 0.00 0.20 -0.06 -0.09 -1.65 0.00 0.00 177.43 175.84 1b99 h ARG 132 N 0.19 0.09 -0.38 0.81 2.43 -1.25 -3.00 114.38 113.27 1b99 h ARG 132 Ca 0.05 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1b99 h ARG 132 Cb 0.12 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1b99 h ARG 132 CO 0.00 0.64 0.12 0.93 -1.51 0.00 0.00 179.97 180.15 1b99 h GLU 133 N -0.45 0.58 -0.98 0.20 5.08 -0.65 -2.08 114.58 116.28 1b99 h GLU 133 Ca 0.00 -0.12 0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1b99 h GLU 133 Cb 0.63 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.73 1b99 h GLU 133 CO 0.01 0.59 0.63 0.82 -1.00 0.00 0.00 179.01 180.06 1b99 h ILE 134 N 0.46 1.08 0.00 3.13 2.04 -1.22 0.17 117.51 123.16 1b99 h ILE 134 Ca 0.12 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 1b99 h ILE 134 Cb 0.25 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 1b99 h ILE 134 CO -0.00 0.21 -0.20 0.00 0.00 0.00 0.00 178.15 178.15 1b99 h ALA 135 N 1.44 0.99 0.03 1.87 0.00 -1.36 0.76 119.26 122.98 1b99 h ALA 135 Ca 0.42 -0.18 -0.24 0.00 0.00 0.00 0.00 54.91 54.91 1b99 h ALA 135 Cb 0.16 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 17.94 1b99 h ALA 135 CO -0.17 0.25 -0.94 1.25 0.00 0.00 0.00 179.25 179.64 1b99 h LEU 136 N 0.00 0.78 0.00 0.00 6.46 -0.02 -3.37 115.31 119.15 1b99 h LEU 136 Ca -0.00 -0.77 -0.31 0.00 -0.12 0.00 0.00 57.88 56.68 1b99 h LEU 136 Cb 0.79 -0.24 -0.06 0.00 -0.73 0.00 0.00 40.66 40.42 1b99 h LEU 136 CO 0.03 1.45 -2.02 0.79 -0.62 0.00 0.00 178.44 178.07 1b99 n TRP 137 N -3.97 0.50 -4.77 1.25 7.02 -0.32 -4.97 117.44 112.18 1b99 n TRP 137 Ca -0.11 0.18 -0.32 0.00 -1.02 0.00 0.00 57.50 56.23 1b99 n TRP 137 Cb 0.84 -1.07 -0.13 0.00 -2.42 0.00 0.00 31.31 28.53 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 -2.59 2.67 0.22 -5.99 0.40 0.25 -5.10 117.98 107.84 1b99 s PHE 138 Ca -0.07 -0.18 -0.11 0.00 -0.60 0.00 0.00 56.93 55.96 1b99 s PHE 138 Cb 0.07 -1.57 -0.07 0.00 0.51 0.00 0.00 43.02 41.96 1b99 s PHE 138 CO 0.83 0.23 0.57 0.15 0.70 0.00 0.00 175.22 177.69 1b99 s LYS 139 N -1.05 3.87 0.45 0.44 -0.14 -1.26 -4.48 119.74 117.56 1b99 s LYS 139 Ca 0.13 0.37 0.21 0.00 -1.36 0.00 0.00 55.97 55.32 1b99 s LYS 139 Cb -0.11 -2.69 1.18 0.00 -1.68 0.00 0.00 37.83 34.53 1b99 s LYS 139 CO 0.03 0.34 1.87 -1.35 -0.76 0.00 0.00 175.35 175.48 1b99 h PRO 140 N 2.77 0.30 0.00 -1.68 0.11 -1.95 -0.10 132.00 131.43 1b99 h PRO 140 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1b99 h PRO 140 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1b99 h PRO 140 CO 0.68 0.20 0.00 0.93 -0.21 0.00 0.00 178.00 179.59 1b99 h GLU 141 N 0.30 0.00 -0.01 1.05 3.07 -2.03 -2.89 114.58 114.07 1b99 h GLU 141 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 1b99 h GLU 141 Cb 1.25 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 1b99 h GLU 141 CO -0.13 0.00 -0.30 0.39 -1.40 0.00 0.00 179.01 177.57 1b99 n GLU 142 N -2.78 0.74 -4.33 2.33 1.02 -0.05 -4.89 120.64 112.67 1b99 n GLU 142 Ca 0.01 -0.45 -0.35 0.00 -0.02 0.00 0.00 57.16 56.35 1b99 n GLU 142 Cb 0.25 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 30.09 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 -2.57 3.62 0.31 -4.62 1.43 -1.09 -4.57 118.68 111.20 1b99 s LEU 143 Ca 0.22 0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 53.19 1b99 s LEU 143 Cb 0.19 -1.84 -0.10 0.00 0.03 0.00 0.00 46.19 44.48 1b99 s LEU 143 CO 0.55 0.36 1.13 -0.76 0.23 0.00 0.00 176.35 177.86 1b99 s LEU 144 N -0.79 4.47 -0.23 1.79 1.43 -0.37 -4.97 118.68 120.02 1b99 s LEU 144 Ca 0.12 2.32 -0.16 0.00 -1.03 0.00 0.00 54.13 55.39 1b99 s LEU 144 Cb -0.12 -3.71 -0.11 0.00 0.03 0.00 0.00 46.19 42.29 1b99 s LEU 144 CO 0.02 -0.28 -0.22 0.41 0.23 0.00 0.00 176.35 176.51 1b99 n THR 145 N 0.94 1.51 -2.67 5.49 -1.04 -1.26 -4.73 114.28 112.51 1b99 n THR 145 Ca -0.00 -0.14 -0.42 0.00 -2.04 0.00 0.00 64.05 61.45 1b99 n THR 145 Cb 0.45 -2.06 -0.03 0.00 -1.82 0.00 0.00 70.33 66.86 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 -2.54 3.21 -0.06 -2.82 0.41 -1.26 -4.86 118.70 110.77 1b99 s GLU 146 Ca -0.32 -0.57 -0.04 0.00 -0.41 0.00 0.00 54.97 53.62 1b99 s GLU 146 Cb 0.10 -4.31 -0.01 0.00 -1.78 0.00 0.00 34.13 28.12 1b99 s GLU 146 CO 0.47 -2.02 -0.08 1.55 -0.49 0.00 0.00 175.26 174.69 1b99 n VAL 147 N 6.22 0.62 -3.05 2.63 3.14 -1.26 -5.09 118.33 121.54 1b99 n VAL 147 Ca 0.04 0.38 -0.00 0.00 -2.96 0.00 0.00 64.34 61.79 1b99 n VAL 147 Cb 0.48 -1.89 -0.00 0.00 -1.06 0.00 0.00 33.84 31.37 1b99 n VAL 147 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1b99 n LYS 148 N -3.28 -1.32 -2.10 1.45 3.00 -1.26 -5.02 118.16 109.63 1b99 n LYS 148 Ca -0.03 1.37 -0.27 0.00 -0.00 0.00 0.00 58.31 59.38 1b99 n LYS 148 Cb 0.12 -1.80 0.09 0.00 0.00 0.00 0.00 35.03 33.44 1b99 n LYS 148 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1b99 s PRO 149 N -0.75 1.97 0.08 1.64 0.04 -1.26 -5.01 135.00 131.70 1b99 s PRO 149 Ca -0.02 -0.19 -0.36 0.00 0.04 0.00 0.00 61.00 60.47 1b99 s PRO 149 Cb 0.00 -2.08 -0.15 0.00 0.04 0.00 0.00 34.50 32.31 1b99 s PRO 149 CO 0.16 -1.46 1.51 -1.71 0.04 0.00 0.00 177.00 175.54 1b99 n ASN 150 N -3.11 2.46 0.03 6.66 2.85 -1.26 -4.87 115.26 118.02 1b99 n ASN 150 Ca 0.09 1.09 0.07 0.00 -0.11 0.00 0.00 54.58 55.72 1b99 n ASN 150 Cb 0.61 -1.30 0.30 0.00 1.24 0.00 0.00 39.78 40.62 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 3.44 0.04 -0.02 1.20 -0.04 -1.26 -1.93 135.00 136.43 1b99 n PRO 151 Ca 0.19 0.34 0.13 0.00 -0.04 0.00 0.00 63.50 64.12 1b99 n PRO 151 Cb 0.24 -1.58 0.55 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.65 1.26 -0.10 3.54 3.02 -1.26 -3.84 115.26 116.21 1b99 n ASN 152 Ca 0.02 -1.47 -0.20 0.00 -0.03 0.00 0.00 54.58 52.90 1b99 n ASN 152 Cb 0.14 -0.02 -0.12 0.00 -0.61 0.00 0.00 39.78 39.17 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 -0.00 2.73 -4.47 3.41 4.77 -0.81 -4.99 117.00 117.64 1b99 n LEU 153 Ca 0.19 0.02 -0.31 0.00 -0.03 0.00 0.00 56.01 55.87 1b99 n LEU 153 Cb 0.30 -0.94 -0.13 0.00 -2.33 0.00 0.00 43.42 40.32 1b99 n LEU 153 CO 0.16 0.85 -0.48 -0.31 -1.33 0.00 0.00 177.39 176.28 1b99 s TYR 154 N -2.52 2.60 -2.06 -1.77 2.02 -1.25 -5.14 117.35 109.23 1b99 s TYR 154 Ca -0.33 -0.23 0.31 0.00 -0.37 0.00 0.00 57.07 56.45 1b99 s TYR 154 Cb 0.09 -1.49 1.80 0.00 -0.40 0.00 0.00 41.96 41.96 1b99 s TYR 154 CO 0.62 0.25 2.17 -1.91 -1.57 0.00 0.00 175.55 175.10