#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 2.87 -1.83 6.55 4.13 -1.26 -4.16 115.26 121.56 1b99 n ASN 7 Ca 0.00 -1.99 -0.05 0.00 1.68 0.00 0.00 54.58 54.22 1b99 n ASN 7 Cb 0.00 -0.35 0.27 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 3.42 -2.67 3.52 5.02 -1.26 -2.88 118.16 124.39 1b99 n LYS 8 Ca 0.18 -2.63 -0.38 0.00 -2.02 0.00 0.00 58.31 53.46 1b99 n LYS 8 Cb 0.46 -2.09 -0.05 0.00 -0.02 0.00 0.00 35.03 33.32 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 -2.62 4.55 0.11 1.97 2.12 -1.22 -4.81 118.70 118.80 1b99 s GLU 9 Ca 0.47 1.49 0.06 0.00 0.36 0.00 0.00 54.97 57.35 1b99 s GLU 9 Cb 0.37 -2.90 -0.04 0.00 0.26 0.00 0.00 34.13 31.83 1b99 s GLU 9 CO 0.12 0.22 -0.15 1.03 -0.54 0.00 0.00 175.26 175.93 1b99 s ARG 10 N -1.89 0.99 0.09 4.30 0.52 -1.26 -0.34 118.95 121.36 1b99 s ARG 10 Ca 0.49 -1.16 -0.00 0.00 -0.52 0.00 0.00 55.73 54.54 1b99 s ARG 10 Cb -0.23 -0.95 -0.04 0.00 0.52 0.00 0.00 34.95 34.25 1b99 s ARG 10 CO 0.29 0.20 -0.02 -0.08 0.02 0.00 0.00 175.30 175.71 1b99 s THR 11 N -1.80 0.35 -0.22 0.02 -1.32 -0.95 -4.72 115.64 107.00 1b99 s THR 11 Ca 0.06 -1.88 -0.06 0.00 -1.21 0.00 0.00 61.69 58.60 1b99 s THR 11 Cb -0.07 -1.72 -0.03 0.00 -1.51 0.00 0.00 72.50 69.18 1b99 s THR 11 CO 0.03 -0.81 0.03 0.12 -2.21 0.00 0.00 174.62 171.78 1b99 s PHE 12 N -3.85 3.06 0.11 9.09 5.36 -1.26 -2.67 117.98 127.82 1b99 s PHE 12 Ca 0.13 -0.46 0.09 0.00 -0.96 0.00 0.00 56.93 55.73 1b99 s PHE 12 Cb 0.07 -2.16 -0.04 0.00 -0.34 0.00 0.00 43.02 40.56 1b99 s PHE 12 CO -0.05 -0.30 -0.18 -0.51 -1.46 0.00 0.00 175.22 172.72 1b99 s LEU 13 N 1.29 2.71 -0.20 6.12 1.43 -0.25 -2.24 118.68 127.55 1b99 s LEU 13 Ca 0.04 -0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 52.56 1b99 s LEU 13 Cb -0.15 -1.55 0.10 0.00 0.03 0.00 0.00 46.19 44.62 1b99 s LEU 13 CO 0.02 0.18 0.33 0.00 0.23 0.00 0.00 176.35 177.11 1b99 s ALA 14 N -1.13 -0.81 -0.22 4.21 0.00 -0.48 -1.22 121.76 122.11 1b99 s ALA 14 Ca 0.18 0.88 -0.29 0.00 0.00 0.00 0.00 51.96 52.73 1b99 s ALA 14 Cb -0.11 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.63 1b99 s ALA 14 CO 0.10 -1.02 1.14 0.08 0.00 0.00 0.00 175.76 176.06 1b99 s VAL 15 N 2.48 4.47 0.71 0.00 1.01 -0.06 -1.11 120.40 127.91 1b99 s VAL 15 Ca 0.06 1.76 -0.11 0.00 0.00 0.00 0.00 61.98 63.69 1b99 s VAL 15 Cb -0.14 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.05 1b99 s VAL 15 CO -0.13 -0.23 1.08 -0.54 0.00 0.00 0.00 175.10 175.28 1b99 s LYS 16 N 3.44 2.83 0.33 2.72 1.02 0.54 -2.04 119.74 128.59 1b99 s LYS 16 Ca 0.49 0.62 0.18 0.00 0.02 0.00 0.00 55.97 57.28 1b99 s LYS 16 Cb -0.17 -2.00 1.19 0.00 -0.52 0.00 0.00 37.83 36.32 1b99 s LYS 16 CO 0.12 -1.09 1.43 -2.30 -0.92 0.00 0.00 175.35 172.59 1b99 n PRO 17 N -3.07 -0.06 -0.08 -1.68 -0.02 -1.23 -0.04 135.00 128.81 1b99 n PRO 17 Ca 0.07 1.26 -0.14 0.00 -2.02 0.00 0.00 63.50 62.67 1b99 n PRO 17 Cb 0.56 -2.25 -0.05 0.00 -0.02 0.00 0.00 33.50 31.75 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 0.82 -0.55 2.55 2.03 -1.89 0.13 116.42 119.51 1b99 h ASP 18 Ca 0.76 -0.51 -0.04 0.00 -0.73 0.00 0.00 57.03 56.50 1b99 h ASP 18 Cb 1.98 -0.23 -0.02 0.00 -0.83 0.00 0.00 39.33 40.23 1b99 h ASP 18 CO -0.71 1.17 0.18 1.23 -1.03 0.00 0.00 179.24 180.08 1b99 h GLY 19 N 0.50 0.92 0.71 7.15 0.00 -0.63 -1.30 103.07 110.42 1b99 h GLY 19 Ca 0.03 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1b99 h GLY 19 CO 0.09 0.51 -0.13 -2.08 0.00 0.00 0.00 176.54 174.93 1b99 h VAL 20 N 0.77 0.78 0.00 4.60 2.07 -1.30 -1.24 116.25 121.93 1b99 h VAL 20 Ca 0.18 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1b99 h VAL 20 Cb 0.28 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1b99 h VAL 20 CO -0.01 0.11 0.04 0.00 0.02 0.00 0.00 177.57 177.74 1b99 h ALA 21 N -0.02 1.04 -0.46 1.67 0.00 -0.70 0.14 119.26 120.93 1b99 h ALA 21 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1b99 h ALA 21 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1b99 h ALA 21 CO 0.06 -0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.81 1b99 n ARG 22 N -2.96 2.37 -3.24 0.00 1.74 -0.50 -4.96 116.66 109.11 1b99 n ARG 22 Ca -0.03 -2.10 -0.16 0.00 -0.77 0.00 0.00 57.85 54.79 1b99 n ARG 22 Cb 0.10 -1.48 0.06 0.00 -1.02 0.00 0.00 32.46 30.12 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 1.45 -0.18 0.31 -0.13 0.00 0.04 -4.93 105.19 101.76 1b99 n GLY 23 Ca 0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.28 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 -3.71 1.47 -0.01 0.99 4.77 -0.49 -4.71 117.00 115.31 1b99 n LEU 24 Ca -0.08 -0.78 -0.10 0.00 -0.03 0.00 0.00 56.01 55.02 1b99 n LEU 24 Cb 0.58 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.63 1b99 n LEU 24 CO 0.48 0.29 0.66 0.58 -1.33 0.00 0.00 177.39 178.06 1b99 h VAL 25 N 1.53 0.31 -0.48 4.08 2.07 -1.87 -1.41 116.25 120.48 1b99 h VAL 25 Ca 0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 1b99 h VAL 25 Cb 0.45 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1b99 h VAL 25 CO 0.00 0.00 -0.08 1.23 0.02 0.00 0.00 177.57 178.74 1b99 h GLY 26 N -0.36 0.92 0.90 2.17 0.00 -1.97 -1.94 103.07 102.79 1b99 h GLY 26 Ca 0.10 -0.69 0.02 0.00 0.00 0.00 0.00 47.33 46.77 1b99 h GLY 26 CO -0.36 0.63 0.34 -2.09 0.00 0.00 0.00 176.54 175.07 1b99 h GLU 27 N 0.77 0.67 -0.03 4.80 4.57 -1.76 -0.20 114.58 123.39 1b99 h GLU 27 Ca 0.13 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 1b99 h GLU 27 Cb 0.58 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1b99 h GLU 27 CO 0.04 0.44 -0.01 0.82 -1.18 0.00 0.00 179.01 179.12 1b99 h ILE 28 N 0.69 1.28 -0.80 2.32 2.04 -1.15 -2.66 117.51 119.23 1b99 h ILE 28 Ca 0.22 -0.87 0.05 0.00 1.00 0.00 0.00 64.86 65.27 1b99 h ILE 28 Cb 0.00 1.80 -0.06 0.00 -0.74 0.00 0.00 36.82 37.83 1b99 h ILE 28 CO -0.09 0.23 0.49 0.40 0.00 0.00 0.00 178.15 179.19 1b99 h ILE 29 N -0.28 1.05 -0.89 -0.67 2.04 -1.18 -2.19 117.51 115.39 1b99 h ILE 29 Ca 0.01 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.60 1b99 h ILE 29 Cb 0.38 0.05 -0.06 0.00 -0.74 0.00 0.00 36.82 36.45 1b99 h ILE 29 CO 0.00 0.17 0.57 0.00 0.00 0.00 0.00 178.15 178.89 1b99 h ALA 30 N 1.37 1.20 -0.94 1.87 0.00 -0.97 -1.27 119.26 120.52 1b99 h ALA 30 Ca 0.34 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1b99 h ALA 30 Cb 0.12 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1b99 h ALA 30 CO -0.15 0.37 0.62 0.00 0.00 0.00 0.00 179.25 180.09 1b99 h ARG 31 N 1.07 1.22 -0.06 0.00 3.08 -1.03 -0.15 114.38 118.50 1b99 h ARG 31 Ca 0.37 -0.07 -0.21 0.00 0.07 0.00 0.00 59.98 60.14 1b99 h ARG 31 Cb 0.09 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 29.86 1b99 h ARG 31 CO -0.15 0.81 -0.82 1.88 -1.07 0.00 0.00 179.97 180.62 1b99 h TYR 32 N 1.26 0.69 -0.53 3.04 0.05 -1.37 -2.79 116.97 117.32 1b99 h TYR 32 Ca 0.35 -0.33 -0.07 0.00 0.05 0.00 0.00 58.73 58.73 1b99 h TYR 32 Cb -0.13 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 37.49 1b99 h TYR 32 CO -0.01 1.13 0.08 0.93 -1.05 0.00 0.00 178.16 179.24 1b99 h GLU 33 N 0.32 0.89 -0.16 4.88 5.08 -0.88 -2.59 114.58 122.11 1b99 h GLU 33 Ca -0.06 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.02 1b99 h GLU 33 Cb 1.43 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 1b99 h GLU 33 CO 0.15 0.87 -0.08 0.87 -1.00 0.00 0.00 179.01 179.82 1b99 h LYS 34 N 0.77 0.25 -0.06 2.33 1.57 -1.03 -2.44 116.57 117.96 1b99 h LYS 34 Ca 0.16 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 1b99 h LYS 34 Cb 0.42 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1b99 h LYS 34 CO 0.01 0.34 -0.47 -0.22 -0.57 0.00 0.00 179.45 178.54 1b99 h LYS 35 N 0.24 0.15 0.00 3.15 1.63 -1.18 -3.47 116.57 117.08 1b99 h LYS 35 Ca 0.05 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1b99 h LYS 35 Cb 0.30 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 1b99 h LYS 35 CO 0.02 0.59 0.00 0.41 -3.45 0.00 0.00 179.45 177.02 1b99 n GLY 36 N -0.08 1.33 3.82 5.01 0.00 -0.92 -5.12 105.19 109.23 1b99 n GLY 36 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 3.65 -0.18 1.61 0.08 -1.11 -4.88 117.98 115.15 1b99 s PHE 37 Ca 0.00 1.27 -0.12 0.00 0.12 0.00 0.00 56.93 58.19 1b99 s PHE 37 Cb 0.00 -2.52 -0.05 0.00 -0.57 0.00 0.00 43.02 39.88 1b99 s PHE 37 CO 0.00 0.39 0.23 0.08 -0.10 0.00 0.00 175.22 175.82 1b99 s VAL 38 N -1.46 5.35 -0.51 -0.44 1.01 -0.38 -4.46 120.40 119.50 1b99 s VAL 38 Ca 0.40 0.41 -0.28 0.00 0.00 0.00 0.00 61.98 62.51 1b99 s VAL 38 Cb -0.16 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1b99 s VAL 38 CO 0.20 0.41 1.52 -0.22 0.00 0.00 0.00 175.10 177.01 1b99 s LEU 39 N 0.44 3.43 0.16 3.92 2.96 -1.26 -0.04 118.68 128.29 1b99 s LEU 39 Ca 0.13 0.51 0.23 0.00 -0.22 0.00 0.00 54.13 54.78 1b99 s LEU 39 Cb -0.12 -3.13 0.12 0.00 0.50 0.00 0.00 46.19 43.56 1b99 s LEU 39 CO 0.01 -1.75 1.14 0.58 -1.32 0.00 0.00 176.35 175.01 1b99 h VAL 40 N 6.51 0.00 -1.83 1.68 2.07 -0.96 -3.48 116.25 120.24 1b99 h VAL 40 Ca -0.28 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.47 1b99 h VAL 40 Cb 1.11 1.28 -0.21 0.00 -1.52 0.00 0.00 31.29 31.94 1b99 h VAL 40 CO 1.15 0.00 0.31 -0.83 0.02 0.00 0.00 177.57 178.22 1b99 s GLY 41 N -4.05 -0.43 -0.27 2.17 0.00 -1.14 -1.49 107.32 102.11 1b99 s GLY 41 Ca 0.02 1.83 -0.20 0.00 0.00 0.00 0.00 44.72 46.38 1b99 s GLY 41 CO 0.77 1.25 0.69 -2.27 0.00 0.00 0.00 173.10 173.54 1b99 s LEU 42 N -0.67 -0.81 -0.15 0.66 2.96 -1.26 -1.19 118.68 118.22 1b99 s LEU 42 Ca -0.05 1.46 -0.30 0.00 -0.22 0.00 0.00 54.13 55.02 1b99 s LEU 42 Cb -0.02 2.37 0.13 0.00 0.50 0.00 0.00 46.19 49.18 1b99 s LEU 42 CO 0.04 -0.24 1.04 -1.59 -1.32 0.00 0.00 176.35 174.28 1b99 s LYS 43 N 1.06 0.54 -0.08 1.98 -2.85 -0.55 -5.01 119.74 114.84 1b99 s LYS 43 Ca -0.05 0.03 0.01 0.00 -1.00 0.00 0.00 55.97 54.95 1b99 s LYS 43 Cb -0.05 0.25 -0.03 0.00 -2.06 0.00 0.00 37.83 35.95 1b99 s LYS 43 CO -0.10 -0.19 -0.08 -1.14 0.10 0.00 0.00 175.35 173.94 1b99 s GLN 44 N -1.58 2.84 0.22 1.78 0.74 -1.26 -0.80 119.66 121.61 1b99 s GLN 44 Ca 0.02 -0.57 -0.19 0.00 0.05 0.00 0.00 55.36 54.67 1b99 s GLN 44 Cb -0.01 -2.60 0.03 0.00 1.10 0.00 0.00 33.01 31.53 1b99 s GLN 44 CO -0.02 0.60 0.60 -0.48 -0.55 0.00 0.00 175.29 175.43 1b99 s LEU 45 N -0.63 -0.11 -0.44 3.68 2.34 -0.29 -4.96 118.68 118.28 1b99 s LEU 45 Ca 0.09 -0.49 -0.09 0.00 0.06 0.00 0.00 54.13 53.70 1b99 s LEU 45 Cb -0.11 2.37 0.10 0.00 -0.56 0.00 0.00 46.19 47.98 1b99 s LEU 45 CO 0.02 -1.15 0.29 -0.69 -1.06 0.00 0.00 176.35 173.76 1b99 s VAL 46 N -3.88 4.14 0.44 1.48 1.01 -1.26 0.55 120.40 122.87 1b99 s VAL 46 Ca 0.10 -1.61 -0.23 0.00 0.00 0.00 0.00 61.98 60.25 1b99 s VAL 46 Cb -0.03 -3.63 -0.11 0.00 0.00 0.00 0.00 36.38 32.62 1b99 s VAL 46 CO 0.00 -0.63 0.79 -2.65 0.00 0.00 0.00 175.10 172.62 1b99 n PRO 47 N 4.89 0.94 -3.65 2.72 -0.02 -1.26 -5.01 135.00 133.60 1b99 n PRO 47 Ca -0.09 0.34 -0.21 0.00 -2.02 0.00 0.00 63.50 61.52 1b99 n PRO 47 Cb 0.42 -1.81 -0.01 0.00 -0.02 0.00 0.00 33.50 32.08 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 -1.40 4.85 0.12 3.45 -1.32 -1.26 -4.53 115.64 115.56 1b99 s THR 48 Ca 0.65 -0.84 -0.21 0.00 -1.21 0.00 0.00 61.69 60.07 1b99 s THR 48 Cb -0.56 -3.73 -0.05 0.00 -1.51 0.00 0.00 72.50 66.66 1b99 s THR 48 CO 0.56 -0.34 1.70 0.50 -2.21 0.00 0.00 174.62 174.83 1b99 h LYS 49 N 0.96 -0.07 -0.78 7.08 3.64 -1.95 -0.59 116.57 124.86 1b99 h LYS 49 Ca -0.50 0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.06 1b99 h LYS 49 Cb 1.24 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.02 1b99 h LYS 49 CO 0.59 -0.05 0.53 0.38 -2.27 0.00 0.00 179.45 178.63 1b99 h ASP 50 N -0.08 0.30 0.18 4.20 2.03 -1.99 0.28 116.42 121.35 1b99 h ASP 50 Ca 0.08 0.02 -0.25 0.00 -0.73 0.00 0.00 57.03 56.14 1b99 h ASP 50 Cb 0.19 -0.04 0.02 0.00 -0.83 0.00 0.00 39.33 38.67 1b99 h ASP 50 CO -0.17 0.14 -1.16 0.25 -1.03 0.00 0.00 179.24 177.27 1b99 h LEU 51 N 0.31 0.58 -0.58 0.15 5.85 -1.82 -2.49 115.31 117.32 1b99 h LEU 51 Ca 0.39 -0.93 -0.02 0.00 0.84 0.00 0.00 57.88 58.16 1b99 h LEU 51 Cb 1.05 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 1b99 h LEU 51 CO -0.11 1.55 0.28 0.00 -0.34 0.00 0.00 178.44 179.82 1b99 h ALA 52 N 0.09 0.74 -0.31 1.25 0.00 -0.56 0.10 119.26 120.57 1b99 h ALA 52 Ca -0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1b99 h ALA 52 Cb 1.85 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1b99 h ALA 52 CO 0.18 0.30 0.06 0.93 0.00 0.00 0.00 179.25 180.71 1b99 h GLU 53 N 0.78 0.50 -0.57 0.00 5.08 -1.07 -1.18 114.58 118.12 1b99 h GLU 53 Ca 0.20 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 1b99 h GLU 53 Cb 0.11 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1b99 h GLU 53 CO -0.03 0.60 -0.01 0.77 -1.00 0.00 0.00 179.01 179.34 1b99 h SER 54 N 0.33 1.00 -0.66 1.42 0.02 -1.28 -1.84 113.55 112.55 1b99 h SER 54 Ca 0.09 -0.31 0.03 0.00 -0.84 0.00 0.00 61.79 60.76 1b99 h SER 54 Cb 0.33 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 1b99 h SER 54 CO 0.00 1.07 0.40 -0.74 -1.14 0.00 0.00 176.83 176.43 1b99 h HIS 55 N 0.91 0.75 -0.69 3.45 -0.00 -0.56 -2.26 115.15 116.75 1b99 h HIS 55 Ca 0.16 0.02 -0.17 0.00 -0.00 0.00 0.00 60.37 60.38 1b99 h HIS 55 Cb 0.56 -0.25 -0.10 0.00 -0.00 0.00 0.00 27.41 27.62 1b99 h HIS 55 CO 0.04 0.43 0.22 0.66 -0.00 0.00 0.00 177.93 179.28 1b99 n TYR 56 N -4.70 2.31 -0.29 5.26 4.01 -0.47 -4.77 117.16 118.51 1b99 n TYR 56 Ca 0.07 -1.07 0.02 0.00 -0.16 0.00 0.00 57.90 56.76 1b99 n TYR 56 Cb 0.09 -0.64 0.10 0.00 -0.31 0.00 0.00 39.34 38.57 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 2.90 0.51 0.00 -0.72 0.00 -0.71 -0.21 119.26 121.03 1b99 h ALA 57 Ca 0.21 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1b99 h ALA 57 Cb 2.22 0.65 0.00 0.00 0.00 0.00 0.00 17.79 20.65 1b99 h ALA 57 CO 0.67 -0.42 0.26 1.05 0.00 0.00 0.00 179.25 180.82 1b99 h GLU 58 N -0.01 0.00 -0.34 0.00 4.11 -1.86 0.17 114.58 116.65 1b99 h GLU 58 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.82 1b99 h GLU 58 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1b99 h GLU 58 CO -0.85 0.00 0.00 0.72 0.07 0.00 0.00 179.01 178.95 1b99 n HIS 59 N -2.46 0.45 -0.13 2.06 8.25 -0.09 -4.61 115.22 118.69 1b99 n HIS 59 Ca -0.01 -0.36 0.27 0.00 -0.26 0.00 0.00 57.72 57.35 1b99 n HIS 59 Cb 0.30 -0.01 0.72 0.00 1.12 0.00 0.00 29.99 32.11 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 2.78 0.00 0.00 -0.41 2.10 -0.69 0.21 116.57 120.57 1b99 h LYS 60 Ca 0.00 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.57 1b99 h LYS 60 Cb 0.76 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.08 1b99 h LYS 60 CO 0.00 0.00 -0.57 0.93 -2.00 0.00 0.00 179.45 177.81 1b99 h GLU 61 N 0.00 0.00 -7.26 0.07 3.07 -1.81 -3.47 114.58 105.17 1b99 h GLU 61 Ca 0.38 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 58.73 1b99 h GLU 61 Cb 1.54 0.00 0.11 0.00 -0.84 0.00 0.00 28.75 29.57 1b99 h GLU 61 CO -0.00 0.29 0.35 1.03 -1.40 0.00 0.00 179.01 179.27 1b99 s ARG 62 N -3.06 2.55 0.14 2.33 1.81 0.74 -4.98 118.95 118.49 1b99 s ARG 62 Ca 0.03 1.26 -0.12 0.00 -1.72 0.00 0.00 55.73 55.18 1b99 s ARG 62 Cb 0.07 -1.93 0.00 0.00 -0.45 0.00 0.00 34.95 32.65 1b99 s ARG 62 CO 0.74 -1.42 1.57 -1.35 -0.68 0.00 0.00 175.30 174.16 1b99 h PRO 63 N -0.55 0.85 0.00 3.54 0.11 -1.91 -3.11 132.00 130.93 1b99 h PRO 63 Ca -0.45 -0.30 -0.04 0.00 0.11 0.00 0.00 66.00 65.31 1b99 h PRO 63 Cb 1.24 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1b99 h PRO 63 CO 0.53 0.93 -0.21 0.27 -0.21 0.00 0.00 178.00 179.31 1b99 h PHE 64 N 0.70 0.00 -0.72 0.65 -5.15 -1.94 -3.34 116.94 107.14 1b99 h PHE 64 Ca 0.12 0.00 0.15 0.00 -0.20 0.00 0.00 57.97 58.04 1b99 h PHE 64 Cb 0.59 0.00 -0.14 0.00 0.22 0.00 0.00 35.95 36.62 1b99 h PHE 64 CO 0.04 0.21 -0.15 0.34 -2.00 0.00 0.00 178.31 176.75 1b99 n PHE 65 N -3.47 0.29 -0.33 6.09 7.35 -1.18 0.25 117.46 126.45 1b99 n PHE 65 Ca -0.00 0.87 0.05 0.00 -0.76 0.00 0.00 57.45 57.61 1b99 n PHE 65 Cb 0.38 -0.93 0.24 0.00 0.35 0.00 0.00 39.48 39.52 1b99 n PHE 65 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1b99 h GLY 66 N 0.00 1.46 2.00 7.13 0.00 -1.82 -0.74 103.07 111.10 1b99 h GLY 66 Ca 0.36 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 47.15 1b99 h GLY 66 CO -0.73 0.25 -0.55 -1.33 0.00 0.00 0.00 176.54 174.18 1b99 h GLY 67 N 1.03 0.00 0.83 4.60 0.00 -0.47 -2.64 103.07 106.41 1b99 h GLY 67 Ca 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.68 1b99 h GLY 67 CO -0.19 0.00 -0.22 1.41 0.00 0.00 0.00 176.54 177.53 1b99 h LEU 68 N 0.00 0.53 -0.83 3.11 3.38 -0.45 -2.64 115.31 118.41 1b99 h LEU 68 Ca -0.01 -0.49 -0.12 0.00 0.09 0.00 0.00 57.88 57.35 1b99 h LEU 68 Cb 1.28 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1b99 h LEU 68 CO 0.07 0.92 -0.40 0.58 0.09 0.00 0.00 178.44 179.70 1b99 h VAL 69 N 0.16 1.30 -0.15 1.22 2.07 -1.30 -2.79 116.25 116.76 1b99 h VAL 69 Ca 0.03 -1.53 -0.15 0.00 0.82 0.00 0.00 66.70 65.86 1b99 h VAL 69 Cb 0.78 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1b99 h VAL 69 CO 0.05 0.47 -0.51 0.28 0.02 0.00 0.00 177.57 177.88 1b99 h SER 70 N 0.32 0.71 -0.33 0.57 0.02 -1.47 -3.18 113.55 110.19 1b99 h SER 70 Ca 0.03 -0.60 -0.17 0.00 -0.84 0.00 0.00 61.79 60.21 1b99 h SER 70 Cb 0.84 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 1b99 h SER 70 CO 0.07 1.19 -0.46 0.15 -1.14 0.00 0.00 176.83 176.64 1b99 h PHE 71 N 0.27 1.09 0.00 3.45 3.57 -1.50 -2.34 116.94 121.48 1b99 h PHE 71 Ca -0.02 -0.36 -0.02 0.00 3.53 0.00 0.00 57.97 61.09 1b99 h PHE 71 Cb 1.13 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.65 1b99 h PHE 71 CO 0.10 1.19 -0.12 0.97 -2.23 0.00 0.00 178.31 178.22 1b99 h ILE 72 N 0.69 0.59 -0.16 1.41 2.10 -1.60 -0.85 117.51 119.68 1b99 h ILE 72 Ca 0.04 -0.51 0.00 0.00 1.08 0.00 0.00 64.86 65.46 1b99 h ILE 72 Cb 1.06 1.33 0.00 0.00 -1.09 0.00 0.00 36.82 38.12 1b99 h ILE 72 CO 0.11 0.11 0.00 0.35 -1.08 0.00 0.00 178.15 177.64 1b99 n THR 73 N -3.68 0.18 1.00 2.19 -2.24 -1.16 -4.29 114.28 106.29 1b99 n THR 73 Ca -0.02 -0.55 0.13 0.00 -2.27 0.00 0.00 64.05 61.34 1b99 n THR 73 Cb 0.23 1.16 0.59 0.00 -2.10 0.00 0.00 70.33 70.21 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 1.23 0.00 -2.54 3.42 3.41 -0.32 -4.77 113.62 114.04 1b99 n SER 74 Ca 0.16 0.33 -0.01 0.00 -0.26 0.00 0.00 58.87 59.09 1b99 n SER 74 Cb 0.56 -0.44 0.01 0.00 -0.26 0.00 0.00 64.21 64.09 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 1.11 0.69 3.76 5.00 0.00 -1.26 -5.10 105.19 109.39 1b99 n GLY 75 Ca 0.08 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 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 3.00 0.04 1.61 0.04 -1.26 -4.27 135.00 132.12 1b99 s PRO 76 Ca 0.16 1.68 0.04 0.00 0.04 0.00 0.00 61.00 62.91 1b99 s PRO 76 Cb -0.01 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 1b99 s PRO 76 CO 0.02 -1.15 -0.11 0.08 0.04 0.00 0.00 177.00 175.88 1b99 s VAL 77 N -1.81 0.86 -0.40 -0.36 1.01 0.19 -3.54 120.40 116.35 1b99 s VAL 77 Ca 0.74 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 61.73 1b99 s VAL 77 Cb -0.26 -0.82 0.08 0.00 0.00 0.00 0.00 36.38 35.38 1b99 s VAL 77 CO 0.33 -0.09 0.21 -0.69 0.00 0.00 0.00 175.10 174.86 1b99 s VAL 78 N -0.91 3.81 0.13 2.92 1.01 -0.87 -1.13 120.40 125.37 1b99 s VAL 78 Ca -0.02 -1.58 -0.14 0.00 0.00 0.00 0.00 61.98 60.25 1b99 s VAL 78 Cb -0.08 -3.39 -0.07 0.00 0.00 0.00 0.00 36.38 32.85 1b99 s VAL 78 CO 0.01 -0.51 0.52 0.00 0.00 0.00 0.00 175.10 175.12 1b99 s ALA 79 N 1.33 3.61 0.12 5.51 0.00 0.02 -0.88 121.76 131.47 1b99 s ALA 79 Ca 0.03 -0.17 -0.20 0.00 0.00 0.00 0.00 51.96 51.62 1b99 s ALA 79 Cb -0.23 -2.48 0.05 0.00 0.00 0.00 0.00 23.12 20.47 1b99 s ALA 79 CO -0.00 0.47 0.50 0.00 0.00 0.00 0.00 175.76 176.73 1b99 s MET 80 N -1.91 1.15 -0.08 0.00 0.23 -0.36 -1.47 119.30 116.85 1b99 s MET 80 Ca 0.36 -0.53 0.02 0.00 -1.03 0.00 0.00 55.69 54.52 1b99 s MET 80 Cb -0.15 0.52 0.01 0.00 -1.53 0.00 0.00 34.83 33.68 1b99 s MET 80 CO 0.19 -0.47 -0.13 0.08 -2.03 0.00 0.00 175.02 172.66 1b99 s VAL 81 N -3.54 1.26 -0.03 5.16 1.01 -0.33 -1.08 120.40 122.84 1b99 s VAL 81 Ca 0.01 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.52 1b99 s VAL 81 Cb 0.00 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 1b99 s VAL 81 CO -0.11 0.39 -0.19 -0.36 0.00 0.00 0.00 175.10 174.84 1b99 s PHE 82 N 0.85 2.56 0.03 5.22 0.08 -1.09 -0.24 117.98 125.39 1b99 s PHE 82 Ca -0.11 -0.26 0.07 0.00 0.12 0.00 0.00 56.93 56.75 1b99 s PHE 82 Cb -0.15 -1.57 -0.03 0.00 -0.57 0.00 0.00 43.02 40.69 1b99 s PHE 82 CO 0.01 0.11 -0.18 -2.00 -0.10 0.00 0.00 175.22 173.07 1b99 s GLU 83 N -0.74 2.11 0.00 0.44 2.12 0.94 -2.24 118.70 121.33 1b99 s GLU 83 Ca 0.11 -0.95 0.00 0.00 0.36 0.00 0.00 54.97 54.49 1b99 s GLU 83 Cb -0.10 -2.20 0.00 0.00 0.26 0.00 0.00 34.13 32.09 1b99 s GLU 83 CO 0.00 0.55 0.00 0.41 -0.54 0.00 0.00 175.26 175.68 1b99 n GLY 84 N 1.67 0.96 3.69 -1.50 0.00 0.54 -1.25 105.19 109.31 1b99 n GLY 84 Ca -0.16 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.35 1.61 2.20 -1.24 -2.94 119.74 120.27 1b99 s LYS 85 Ca 0.00 2.06 -0.09 0.00 -0.36 0.00 0.00 55.97 57.58 1b99 s LYS 85 Cb 0.00 -3.56 0.06 0.00 -1.51 0.00 0.00 37.83 32.82 1b99 s LYS 85 CO 0.00 -0.61 0.55 0.41 -0.36 0.00 0.00 175.35 175.34 1b99 n GLY 86 N 3.72 -0.49 0.26 5.54 0.00 -1.26 -4.88 105.19 108.08 1b99 n GLY 86 Ca 0.14 0.10 -0.01 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.12 1.22 -0.44 1.61 3.04 -1.82 -1.96 116.25 116.77 1b99 h VAL 87 Ca -0.46 -0.92 0.00 0.00 -1.01 0.00 0.00 66.70 64.31 1b99 h VAL 87 Cb 1.31 1.06 -0.02 0.00 -2.01 0.00 0.00 31.29 31.63 1b99 h VAL 87 CO 0.55 0.31 0.28 0.58 -1.01 0.00 0.00 177.57 178.27 1b99 h VAL 88 N 0.48 1.13 0.05 1.51 2.07 -1.88 0.36 116.25 119.97 1b99 h VAL 88 Ca 0.10 -0.27 -0.23 0.00 0.82 0.00 0.00 66.70 67.11 1b99 h VAL 88 Cb 0.42 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1b99 h VAL 88 CO 0.02 0.13 -1.06 0.00 0.02 0.00 0.00 177.57 176.68 1b99 h ALA 89 N 1.14 0.29 -0.29 1.67 0.00 -1.88 -2.90 119.26 117.29 1b99 h ALA 89 Ca 0.16 -0.84 -0.19 0.00 0.00 0.00 0.00 54.91 54.04 1b99 h ALA 89 Cb -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1b99 h ALA 89 CO -0.03 1.04 -0.55 1.03 0.00 0.00 0.00 179.25 180.73 1b99 h SER 90 N 0.06 0.98 -0.48 0.00 0.87 -1.24 -1.90 113.55 111.85 1b99 h SER 90 Ca -0.07 -0.53 0.04 0.00 -1.23 0.00 0.00 61.79 60.00 1b99 h SER 90 Cb 1.78 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 63.41 1b99 h SER 90 CO 0.16 1.33 0.24 0.00 -0.53 0.00 0.00 176.83 178.03 1b99 h ALA 91 N 0.69 0.60 -0.15 6.23 0.00 -0.31 -1.07 119.26 125.25 1b99 h ALA 91 Ca 0.01 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1b99 h ALA 91 Cb 1.16 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1b99 h ALA 91 CO 0.12 -0.10 -0.44 0.00 0.00 0.00 0.00 179.25 178.83 1b99 h ARG 92 N 0.48 0.35 -0.67 0.00 3.08 -1.47 -1.26 114.38 114.89 1b99 h ARG 92 Ca 0.21 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 1b99 h ARG 92 Cb 0.11 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1b99 h ARG 92 CO -0.14 0.72 0.16 1.25 -1.07 0.00 0.00 179.97 180.89 1b99 h LEU 93 N 0.28 1.00 -0.43 3.04 5.85 -0.85 -2.12 115.31 122.08 1b99 h LEU 93 Ca 0.02 -0.20 -0.17 0.00 0.84 0.00 0.00 57.88 58.37 1b99 h LEU 93 Cb 0.89 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 1b99 h LEU 93 CO 0.07 0.96 -0.55 0.24 -0.34 0.00 0.00 178.44 178.82 1b99 h MET 94 N 1.00 0.68 -0.24 1.25 2.86 -0.92 -3.25 114.93 116.31 1b99 h MET 94 Ca 0.21 -0.43 -0.01 0.00 -2.06 0.00 0.00 59.70 57.41 1b99 h MET 94 Cb 0.35 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1b99 h MET 94 CO 0.00 1.05 0.11 0.82 1.06 0.00 0.00 176.91 179.95 1b99 h ILE 95 N 0.52 1.16 0.00 -1.22 2.04 -0.88 -0.72 117.51 118.41 1b99 h ILE 95 Ca 0.01 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1b99 h ILE 95 Cb 1.12 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1b99 h ILE 95 CO 0.11 0.16 0.00 0.61 0.00 0.00 0.00 178.15 179.03 1b99 n GLY 96 N -0.78 0.21 3.70 5.37 0.00 -0.83 -1.13 105.19 111.74 1b99 n GLY 96 Ca -0.03 -2.00 -0.25 0.00 0.00 0.00 0.00 46.02 43.74 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 2.36 0.27 1.61 -7.23 -1.26 -4.74 120.40 111.40 1b99 s VAL 97 Ca 0.00 -1.80 -0.10 0.00 -1.81 0.00 0.00 61.98 58.27 1b99 s VAL 97 Cb 0.00 -2.96 0.41 0.00 0.56 0.00 0.00 36.38 34.39 1b99 s VAL 97 CO 0.00 -0.05 1.57 0.74 -0.31 0.00 0.00 175.10 177.05 1b99 h THR 98 N 1.56 0.04 -3.58 5.32 2.02 -1.99 -3.34 112.91 112.94 1b99 h THR 98 Ca -0.43 0.00 -0.66 0.00 0.77 0.00 0.00 66.41 66.09 1b99 h THR 98 Cb 1.25 0.04 -0.16 0.00 -1.74 0.00 0.00 68.15 67.54 1b99 h THR 98 CO 0.71 0.00 0.01 0.21 0.37 0.00 0.00 175.52 176.82 1b99 s ASN 99 N -5.27 6.31 0.55 4.18 3.04 -1.26 -4.67 114.94 117.82 1b99 s ASN 99 Ca -0.15 -0.24 0.24 0.00 0.04 0.00 0.00 52.86 52.75 1b99 s ASN 99 Cb 0.25 -2.29 1.50 0.00 -1.54 0.00 0.00 41.25 39.17 1b99 s ASN 99 CO 0.77 -0.63 2.11 -0.65 -3.04 0.00 0.00 177.10 175.66 1b99 h PRO 100 N 8.67 0.00 0.00 0.43 0.11 -1.81 -1.09 132.00 138.31 1b99 h PRO 100 Ca -0.26 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 1b99 h PRO 100 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1b99 h PRO 100 CO 0.83 0.00 -0.21 -0.07 -0.21 0.00 0.00 178.00 178.34 1b99 h LEU 101 N 0.00 0.00 -0.97 2.35 3.38 -1.78 -2.75 115.31 115.54 1b99 h LEU 101 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1b99 h LEU 101 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1b99 h LEU 101 CO -0.00 0.21 -0.37 0.00 0.09 0.00 0.00 178.44 178.37 1b99 n ALA 102 N -2.21 3.33 -2.19 1.53 0.00 -0.44 -4.91 120.51 115.61 1b99 n ALA 102 Ca 0.00 -0.59 -0.41 0.00 0.00 0.00 0.00 53.44 52.44 1b99 n ALA 102 Cb 0.43 -0.88 -0.04 0.00 0.00 0.00 0.00 19.45 18.96 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 -2.43 7.46 0.54 0.00 0.01 -1.02 -4.89 113.70 113.38 1b99 s SER 103 Ca 0.21 1.87 -0.20 0.00 1.31 0.00 0.00 55.95 59.14 1b99 s SER 103 Cb 0.19 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.77 1b99 s SER 103 CO 0.53 -0.09 1.18 0.00 0.41 0.00 0.00 173.24 175.27 1b99 s ALA 104 N -0.12 2.72 0.29 1.44 0.00 -1.26 -4.43 121.76 120.40 1b99 s ALA 104 Ca 0.47 0.94 -0.30 0.00 0.00 0.00 0.00 51.96 53.08 1b99 s ALA 104 Cb -0.25 -3.41 -0.11 0.00 0.00 0.00 0.00 23.12 19.35 1b99 s ALA 104 CO 0.31 -0.91 1.55 -2.14 0.00 0.00 0.00 175.76 174.57 1b99 s PRO 105 N -3.15 4.15 0.00 0.00 0.02 -1.26 -2.66 135.00 132.10 1b99 s PRO 105 Ca 0.72 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.26 1b99 s PRO 105 Cb -0.28 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.20 1b99 s PRO 105 CO 0.32 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 176.82 1b99 n GLY 106 N 2.01 0.89 3.92 0.52 0.00 -1.26 -5.00 105.19 106.27 1b99 n GLY 106 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.01 5.93 0.08 1.61 1.04 -1.09 -4.93 113.70 115.33 1b99 s SER 107 Ca 0.00 0.73 -0.35 0.00 0.48 0.00 0.00 55.95 56.81 1b99 s SER 107 Cb 0.00 -1.92 -0.18 0.00 0.10 0.00 0.00 66.02 64.02 1b99 s SER 107 CO 0.00 -0.78 1.58 0.40 0.98 0.00 0.00 173.24 175.42 1b99 h ILE 108 N 0.10 0.10 -0.22 -1.02 2.04 -1.07 -1.13 117.51 116.31 1b99 h ILE 108 Ca -0.46 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.35 1b99 h ILE 108 Cb 1.23 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1b99 h ILE 108 CO 0.61 0.00 -0.06 0.03 0.00 0.00 0.00 178.15 178.73 1b99 h ARG 109 N -1.08 0.34 0.00 2.37 3.08 -1.38 -0.94 114.38 116.77 1b99 h ARG 109 Ca -0.09 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.82 1b99 h ARG 109 Cb 0.88 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 1b99 h ARG 109 CO 0.07 0.42 -0.32 0.78 -1.07 0.00 0.00 179.97 179.86 1b99 h GLY 110 N 0.74 0.00 0.64 0.04 0.00 -1.69 -0.50 103.07 102.30 1b99 h GLY 110 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.08 1b99 h GLY 110 CO 0.01 0.00 -1.95 1.22 0.00 0.00 0.00 176.54 175.83 1b99 n ASP 111 N -4.02 0.64 0.00 0.19 8.00 -0.44 -4.57 116.55 116.33 1b99 n ASP 111 Ca -0.02 0.27 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1b99 n ASP 111 Cb 0.38 0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 1b99 n ASP 111 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1b99 n PHE 112 N -2.96 0.00 -4.03 1.24 3.72 -0.43 -5.08 117.46 109.93 1b99 n PHE 112 Ca -0.23 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.87 1b99 n PHE 112 Cb 1.09 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.57 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 -1.00 2.05 0.00 1.37 0.00 -0.20 -5.00 107.32 104.55 1b99 s GLY 113 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.75 1b99 s GLY 113 CO 0.00 -0.95 0.00 1.55 0.00 0.00 0.00 173.10 173.70 1b99 n VAL 114 N 0.45 0.00 -4.31 1.40 3.14 -1.26 -4.20 118.33 113.55 1b99 n VAL 114 Ca -0.08 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.05 1b99 n VAL 114 Cb 0.51 0.21 -0.13 0.00 -1.06 0.00 0.00 33.84 33.38 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 -0.88 2.73 0.25 6.55 2.15 -1.26 -4.46 116.67 121.75 1b99 s ASP 115 Ca 0.00 -0.70 0.13 0.00 0.43 0.00 0.00 52.55 52.40 1b99 s ASP 115 Cb 0.00 -0.16 0.18 0.00 -0.30 0.00 0.00 42.92 42.64 1b99 s ASP 115 CO 0.00 0.09 1.49 1.62 -0.17 0.00 0.00 175.17 178.20 1b99 h VAL 116 N 4.02 1.23 0.00 1.11 3.04 -1.97 -3.05 116.25 120.63 1b99 h VAL 116 Ca -0.47 -2.41 -0.06 0.00 -1.01 0.00 0.00 66.70 62.75 1b99 h VAL 116 Cb 1.18 2.39 -0.01 0.00 -2.01 0.00 0.00 31.29 32.84 1b99 h VAL 116 CO 0.39 0.63 -0.27 1.23 -1.01 0.00 0.00 177.57 178.55 1b99 h GLY 117 N 2.72 0.00 -5.71 3.17 0.00 -1.96 -3.30 103.07 97.99 1b99 h GLY 117 Ca -0.01 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1b99 h GLY 117 CO 0.08 0.00 -0.54 0.54 0.00 0.00 0.00 176.54 176.62 1b99 n ARG 118 N -3.19 3.06 -1.27 4.80 5.12 -1.16 -4.91 116.66 119.10 1b99 n ARG 118 Ca 0.03 -4.78 -0.29 0.00 -1.93 0.00 0.00 57.85 50.88 1b99 n ARG 118 Cb 0.62 -2.26 0.14 0.00 -1.16 0.00 0.00 32.46 29.80 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 0.23 5.51 0.00 0.55 0.23 -1.17 -4.22 115.26 116.39 1b99 n ASN 119 Ca 0.31 -3.69 0.00 0.00 -0.53 0.00 0.00 54.58 50.67 1b99 n ASN 119 Cb 0.39 -0.90 0.00 0.00 -2.08 0.00 0.00 39.78 37.19 1b99 n ASN 119 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1b99 n ILE 120 N -1.05 0.00 -4.17 1.53 5.41 -1.26 -4.80 119.36 115.02 1b99 n ILE 120 Ca 0.61 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 64.24 1b99 n ILE 120 Cb 1.23 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 40.05 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 0.77 0.03 1.39 2.07 -1.26 -0.34 121.20 123.86 1b99 s ILE 121 Ca 0.00 -1.81 0.07 0.00 -1.41 0.00 0.00 60.65 57.50 1b99 s ILE 121 Cb 0.00 -1.53 -0.03 0.00 0.13 0.00 0.00 42.46 41.03 1b99 s ILE 121 CO 0.00 -0.75 -0.17 -2.28 -1.91 0.00 0.00 174.94 169.83 1b99 s HIS 122 N -3.14 2.60 0.01 3.50 5.65 -0.27 -4.94 115.29 118.69 1b99 s HIS 122 Ca 0.09 -0.23 -0.00 0.00 0.25 0.00 0.00 55.06 55.17 1b99 s HIS 122 Cb 0.02 -1.49 -0.01 0.00 -1.18 0.00 0.00 32.58 29.93 1b99 s HIS 122 CO -0.03 0.26 -0.01 0.20 -0.65 0.00 0.00 174.74 174.52 1b99 s GLY 123 N -1.41 0.10 0.52 1.59 0.00 -1.26 -1.38 107.32 105.48 1b99 s GLY 123 Ca 0.15 -0.24 -0.22 0.00 0.00 0.00 0.00 44.72 44.41 1b99 s GLY 123 CO 0.05 -0.27 1.29 -0.56 0.00 0.00 0.00 173.10 173.61 1b99 s SER 124 N -0.63 5.53 0.00 1.64 0.01 -0.95 -4.93 113.70 114.37 1b99 s SER 124 Ca -0.07 2.61 0.25 0.00 1.31 0.00 0.00 55.95 60.05 1b99 s SER 124 Cb -0.04 -2.62 0.39 0.00 0.21 0.00 0.00 66.02 63.96 1b99 s SER 124 CO -0.00 -1.38 1.35 -0.90 0.41 0.00 0.00 173.24 172.72 1b99 n ASP 125 N -0.90 1.94 -3.64 2.44 5.75 -1.26 -4.79 116.55 116.09 1b99 n ASP 125 Ca 0.10 -1.48 -0.05 0.00 -0.01 0.00 0.00 54.79 53.35 1b99 n ASP 125 Cb 0.46 0.21 -0.02 0.00 -1.03 0.00 0.00 41.12 40.74 1b99 n ASP 125 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1b99 s SER 126 N -2.29 -0.22 0.29 -1.12 1.04 -1.26 -4.97 113.70 105.17 1b99 s SER 126 Ca 0.25 -0.21 -0.01 0.00 0.48 0.00 0.00 55.95 56.46 1b99 s SER 126 Cb 0.19 0.39 0.44 0.00 0.10 0.00 0.00 66.02 67.15 1b99 s SER 126 CO 0.46 -0.69 1.89 0.58 0.98 0.00 0.00 173.24 176.46 1b99 h VAL 127 N 2.00 1.21 -0.41 5.02 2.07 -1.93 0.16 116.25 124.36 1b99 h VAL 127 Ca -0.23 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 1b99 h VAL 127 Cb 1.23 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 1b99 h VAL 127 CO 0.27 0.25 0.20 -0.33 0.02 0.00 0.00 177.57 177.99 1b99 h GLU 128 N 0.91 0.59 -0.04 1.57 3.07 -1.97 -1.77 114.58 116.94 1b99 h GLU 128 Ca 0.22 -0.08 -0.20 0.00 -0.50 0.00 0.00 59.36 58.80 1b99 h GLU 128 Cb 0.11 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1b99 h GLU 128 CO -0.03 0.50 -0.81 0.66 -1.40 0.00 0.00 179.01 177.94 1b99 h SER 129 N 0.53 0.44 -0.09 1.42 4.64 -1.86 -2.84 113.55 115.79 1b99 h SER 129 Ca 0.14 -0.32 0.03 0.00 -0.47 0.00 0.00 61.79 61.17 1b99 h SER 129 Cb 0.10 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.03 1b99 h SER 129 CO -0.02 1.08 -0.08 0.00 -0.87 0.00 0.00 176.83 176.94 1b99 h ALA 130 N 0.90 -0.01 -0.34 5.18 0.00 -0.48 0.80 119.26 125.31 1b99 h ALA 130 Ca -0.05 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1b99 h ALA 130 Cb 1.41 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1b99 h ALA 130 CO 0.14 -0.55 0.11 -0.91 0.00 0.00 0.00 179.25 178.04 1b99 h ASN 131 N -0.10 0.43 -0.03 0.00 2.35 -1.30 -0.13 115.58 116.81 1b99 h ASN 131 Ca 0.06 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 1b99 h ASN 131 Cb 0.19 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1b99 h ASN 131 CO -0.15 0.42 -0.12 -0.09 -1.65 0.00 0.00 177.43 175.84 1b99 h ARG 132 N 0.48 0.14 -0.42 0.81 2.43 -1.15 -2.99 114.38 113.69 1b99 h ARG 132 Ca 0.12 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 1b99 h ARG 132 Cb 0.14 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1b99 h ARG 132 CO -0.01 0.74 0.19 0.93 -1.51 0.00 0.00 179.97 180.32 1b99 h GLU 133 N -0.43 0.61 -0.91 0.20 5.08 -0.58 -2.01 114.58 116.54 1b99 h GLU 133 Ca -0.01 -0.10 0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1b99 h GLU 133 Cb 0.76 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.84 1b99 h GLU 133 CO 0.03 0.54 0.58 0.82 -1.00 0.00 0.00 179.01 179.97 1b99 h ILE 134 N 0.53 1.07 0.00 3.13 2.04 -1.12 -0.24 117.51 122.92 1b99 h ILE 134 Ca 0.14 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 1b99 h ILE 134 Cb 0.14 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.14 1b99 h ILE 134 CO -0.02 0.19 -0.14 0.00 0.00 0.00 0.00 178.15 178.18 1b99 h ALA 135 N 1.42 0.99 0.11 1.87 0.00 -1.37 0.38 119.26 122.65 1b99 h ALA 135 Ca 0.39 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.94 1b99 h ALA 135 Cb 0.15 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.94 1b99 h ALA 135 CO -0.17 0.18 -0.96 1.25 0.00 0.00 0.00 179.25 179.55 1b99 h LEU 136 N 0.00 0.65 0.00 0.00 6.46 -0.39 -3.38 115.31 118.65 1b99 h LEU 136 Ca -0.00 -0.86 -0.14 0.00 -0.12 0.00 0.00 57.88 56.76 1b99 h LEU 136 Cb 0.75 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.45 1b99 h LEU 136 CO 0.02 1.45 -1.58 0.79 -0.62 0.00 0.00 178.44 178.50 1b99 n TRP 137 N -4.01 0.68 -5.10 1.25 7.02 -0.25 -4.96 117.44 112.07 1b99 n TRP 137 Ca -0.13 0.22 -0.31 0.00 -1.02 0.00 0.00 57.50 56.26 1b99 n TRP 137 Cb 0.86 -0.96 -0.15 0.00 -2.42 0.00 0.00 31.31 28.65 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 -3.04 2.32 0.33 -5.99 0.08 0.12 -5.10 117.98 106.71 1b99 s PHE 138 Ca -0.04 -0.43 -0.10 0.00 0.12 0.00 0.00 56.93 56.48 1b99 s PHE 138 Cb 0.09 -1.44 -0.07 0.00 -0.57 0.00 0.00 43.02 41.03 1b99 s PHE 138 CO 0.83 0.05 0.67 0.15 -0.10 0.00 0.00 175.22 176.81 1b99 s LYS 139 N -0.93 3.79 0.42 0.44 3.01 -1.26 -4.50 119.74 120.70 1b99 s LYS 139 Ca 0.11 0.36 0.12 0.00 -1.01 0.00 0.00 55.97 55.55 1b99 s LYS 139 Cb -0.10 -2.51 0.97 0.00 -1.01 0.00 0.00 37.83 35.18 1b99 s LYS 139 CO 0.01 0.12 1.98 -1.35 0.51 0.00 0.00 175.35 176.62 1b99 h PRO 140 N 1.78 0.46 0.00 -1.68 0.11 -1.95 -0.65 132.00 130.07 1b99 h PRO 140 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1b99 h PRO 140 Cb 1.18 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1b99 h PRO 140 CO 0.66 0.31 0.00 0.93 -0.21 0.00 0.00 178.00 179.68 1b99 h GLU 141 N 0.48 0.00 -0.01 1.05 5.08 -2.03 -2.34 114.58 116.81 1b99 h GLU 141 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1b99 h GLU 141 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1b99 h GLU 141 CO -0.08 0.00 -0.38 0.39 -1.00 0.00 0.00 179.01 177.93 1b99 n GLU 142 N -2.69 0.76 -4.37 2.33 1.02 -0.25 -4.89 120.64 112.55 1b99 n GLU 142 Ca -0.00 -0.51 -0.35 0.00 -0.02 0.00 0.00 57.16 56.28 1b99 n GLU 142 Cb 0.17 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.00 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 -2.59 3.50 0.34 -4.62 1.43 -0.88 -4.57 118.68 111.29 1b99 s LEU 143 Ca 0.20 0.07 -0.27 0.00 -1.03 0.00 0.00 54.13 53.10 1b99 s LEU 143 Cb 0.19 -1.81 -0.09 0.00 0.03 0.00 0.00 46.19 44.50 1b99 s LEU 143 CO 0.58 0.32 1.17 -0.76 0.23 0.00 0.00 176.35 177.88 1b99 s LEU 144 N -0.54 4.37 -0.27 1.79 1.43 -0.56 -4.96 118.68 119.94 1b99 s LEU 144 Ca 0.09 2.37 -0.10 0.00 -1.03 0.00 0.00 54.13 55.46 1b99 s LEU 144 Cb -0.12 -3.81 -0.14 0.00 0.03 0.00 0.00 46.19 42.15 1b99 s LEU 144 CO 0.02 -0.44 -0.28 0.35 0.23 0.00 0.00 176.35 176.23 1b99 n THR 145 N 0.62 1.53 -2.67 5.49 -2.24 -1.26 -4.76 114.28 110.98 1b99 n THR 145 Ca 0.01 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 60.95 1b99 n THR 145 Cb 0.45 -1.77 -0.03 0.00 -2.10 0.00 0.00 70.33 66.88 1b99 n THR 145 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1b99 s GLU 146 N -2.51 3.34 0.00 -0.78 -6.30 -1.26 -4.88 118.70 106.31 1b99 s GLU 146 Ca -0.37 -0.82 0.00 0.00 -2.50 0.00 0.00 54.97 51.28 1b99 s GLU 146 Cb 0.13 -4.62 0.00 0.00 0.00 0.00 0.00 34.13 29.63 1b99 s GLU 146 CO 0.53 -2.04 0.00 1.55 0.02 0.00 0.00 175.26 175.31 1b99 n VAL 147 N 6.31 0.00 -2.68 3.70 3.14 -1.26 -5.09 118.33 122.44 1b99 n VAL 147 Ca 0.13 0.45 -0.02 0.00 -2.96 0.00 0.00 64.34 61.94 1b99 n VAL 147 Cb 0.49 -1.41 -0.02 0.00 -1.06 0.00 0.00 33.84 31.85 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 -2.15 -2.76 -2.42 1.45 3.00 -1.26 -5.03 118.16 109.00 1b99 n LYS 148 Ca 0.00 2.16 -0.24 0.00 -0.00 0.00 0.00 58.31 60.23 1b99 n LYS 148 Cb 0.00 -2.73 0.05 0.00 0.00 0.00 0.00 35.03 32.35 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 -0.30 2.44 0.09 1.64 0.04 -1.26 -5.02 135.00 132.62 1b99 s PRO 149 Ca -0.10 -0.43 -0.34 0.00 0.04 0.00 0.00 61.00 60.17 1b99 s PRO 149 Cb 0.01 -2.31 -0.13 0.00 0.04 0.00 0.00 34.50 32.10 1b99 s PRO 149 CO 0.28 -0.95 1.67 -1.71 0.04 0.00 0.00 177.00 176.33 1b99 n ASN 150 N -2.64 3.20 0.06 6.66 2.85 -1.26 -4.85 115.26 119.29 1b99 n ASN 150 Ca 0.07 1.05 0.08 0.00 -0.11 0.00 0.00 54.58 55.67 1b99 n ASN 150 Cb 0.60 -1.41 0.34 0.00 1.24 0.00 0.00 39.78 40.55 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 4.40 0.08 -0.04 1.20 -0.04 -1.26 -1.84 135.00 137.49 1b99 n PRO 151 Ca 0.19 0.41 0.12 0.00 -0.04 0.00 0.00 63.50 64.17 1b99 n PRO 151 Cb 0.29 -1.68 0.47 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.83 1.30 -0.12 3.54 3.02 -1.26 -3.90 115.26 116.00 1b99 n ASN 152 Ca 0.02 -1.57 -0.22 0.00 -0.03 0.00 0.00 54.58 52.78 1b99 n ASN 152 Cb 0.13 -0.06 -0.12 0.00 -0.61 0.00 0.00 39.78 39.13 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 0.05 2.62 -4.53 3.41 4.77 -0.77 -5.00 117.00 117.56 1b99 n LEU 153 Ca 0.17 0.04 -0.33 0.00 -0.03 0.00 0.00 56.01 55.87 1b99 n LEU 153 Cb 0.29 -0.90 -0.12 0.00 -2.33 0.00 0.00 43.42 40.36 1b99 n LEU 153 CO 0.14 0.81 -0.42 -0.31 -1.33 0.00 0.00 177.39 176.27 1b99 s TYR 154 N -2.51 2.79 -2.00 -1.77 2.02 -1.25 -5.13 117.35 109.49 1b99 s TYR 154 Ca -0.35 -0.10 0.31 0.00 -0.37 0.00 0.00 57.07 56.56 1b99 s TYR 154 Cb 0.11 -1.63 1.84 0.00 -0.40 0.00 0.00 41.96 41.87 1b99 s TYR 154 CO 0.58 0.27 2.17 -1.91 -1.57 0.00 0.00 175.55 175.08