#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q81 n ASP 2 N 0.00 7.46 -0.25 4.04 5.68 -1.26 -4.62 116.55 127.60 2q81 n ASP 2 Ca 0.00 -3.67 -0.01 0.00 -0.50 0.00 0.00 54.79 50.61 2q81 n ASP 2 Cb 0.00 -1.02 0.11 0.00 -1.14 0.00 0.00 41.12 39.07 2q81 n ASP 2 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2q81 h PHE 3 N 2.18 0.76 0.05 2.11 3.57 -2.05 0.15 116.94 123.70 2q81 h PHE 3 Ca 0.55 0.03 0.03 0.00 3.53 0.00 0.00 57.97 62.10 2q81 h PHE 3 Cb 0.66 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 2q81 h PHE 3 CO 1.30 0.37 -0.36 -1.35 -2.23 0.00 0.00 178.31 176.04 2q81 h PRO 4 N 0.75 -0.53 -0.85 6.41 0.11 -2.00 0.19 132.00 136.09 2q81 h PRO 4 Ca 0.32 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.47 2q81 h PRO 4 Cb 0.19 0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.38 2q81 h PRO 4 CO -0.18 -0.35 0.53 1.96 -0.21 0.00 0.00 178.00 179.75 2q81 h GLN 5 N -0.55 1.14 -0.27 1.05 4.20 -1.89 -2.41 115.11 116.38 2q81 h GLN 5 Ca 0.05 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2q81 h GLN 5 Cb 0.61 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2q81 h GLN 5 CO -0.26 0.78 0.13 1.25 -0.67 0.00 0.00 178.83 180.06 2q81 h HIS 6 N 1.16 0.39 -0.70 2.96 2.76 -0.45 -2.17 115.15 119.10 2q81 h HIS 6 Ca 0.31 -0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.39 2q81 h HIS 6 Cb -0.08 -0.12 -0.03 0.00 1.55 0.00 0.00 27.41 28.73 2q81 h HIS 6 CO -0.01 0.37 0.16 0.77 -1.30 0.00 0.00 177.93 177.92 2q81 h SER 7 N 0.31 1.08 -0.70 3.26 0.02 -0.49 -1.89 113.55 115.13 2q81 h SER 7 Ca 0.09 -0.24 0.02 0.00 -0.84 0.00 0.00 61.79 60.83 2q81 h SER 7 Cb 0.12 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.34 2q81 h SER 7 CO -0.01 1.04 0.45 1.56 -1.14 0.00 0.00 176.83 178.72 2q81 h GLN 8 N 1.07 0.86 -0.06 3.45 4.20 -1.29 -0.87 115.11 122.47 2q81 h GLN 8 Ca 0.22 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2q81 h GLN 8 Cb 0.39 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 2q81 h GLN 8 CO 0.01 0.57 0.04 1.25 -0.67 0.00 0.00 178.83 180.02 2q81 h HIS 9 N 0.89 0.08 -0.31 2.96 2.76 -1.10 -0.64 115.15 119.79 2q81 h HIS 9 Ca 0.27 0.00 0.04 0.00 -2.20 0.00 0.00 60.37 58.48 2q81 h HIS 9 Cb -0.03 -0.03 -0.04 0.00 1.55 0.00 0.00 27.41 28.87 2q81 h HIS 9 CO -0.04 0.07 0.07 0.28 -1.30 0.00 0.00 177.93 177.01 2q81 h VAL 10 N 0.06 0.86 -0.39 5.26 2.07 -1.08 -1.22 116.25 121.81 2q81 h VAL 10 Ca 0.02 -0.06 -0.11 0.00 0.82 0.00 0.00 66.70 67.37 2q81 h VAL 10 Cb 0.02 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2q81 h VAL 10 CO -0.00 0.03 -0.22 0.25 0.02 0.00 0.00 177.57 177.65 2q81 h LEU 11 N 0.18 0.77 -0.32 2.57 5.85 -1.01 -0.24 115.31 123.12 2q81 h LEU 11 Ca 0.14 -0.28 0.06 0.00 0.84 0.00 0.00 57.88 58.65 2q81 h LEU 11 Cb 0.15 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 2q81 h LEU 11 CO -0.19 0.97 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.54 2q81 h GLU 12 N 0.67 0.07 -0.74 1.25 5.08 -0.81 0.88 114.58 120.98 2q81 h GLU 12 Ca 0.09 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2q81 h GLU 12 Cb 0.72 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 2q81 h GLU 12 CO 0.06 0.04 0.37 1.96 -1.00 0.00 0.00 179.01 180.44 2q81 h GLN 13 N 0.07 1.05 -0.90 2.33 1.08 -0.82 -0.76 115.11 117.16 2q81 h GLN 13 Ca 0.15 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2q81 h GLN 13 Cb 0.21 -0.19 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 2q81 h GLN 13 CO -0.27 0.81 0.50 -0.07 -0.95 0.00 0.00 178.83 178.85 2q81 h LEU 14 N 1.03 1.11 -0.42 1.46 3.38 -0.67 0.54 115.31 121.75 2q81 h LEU 14 Ca 0.26 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 2q81 h LEU 14 Cb 0.09 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2q81 h LEU 14 CO -0.04 0.88 -0.05 -1.13 0.09 0.00 0.00 178.44 178.19 2q81 h ASN 15 N 1.25 0.77 -0.07 -0.43 -1.24 -0.57 -1.40 115.58 113.90 2q81 h ASN 15 Ca 0.32 -0.34 0.03 0.00 0.71 0.00 0.00 56.30 57.02 2q81 h ASN 15 Cb 0.01 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 38.82 2q81 h ASN 15 CO -0.05 0.93 -0.11 -0.61 -1.29 0.00 0.00 177.43 176.30 2q81 h GLN 16 N 0.61 -0.15 -0.47 6.67 4.15 -0.81 -1.76 115.11 123.35 2q81 h GLN 16 Ca 0.11 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.63 2q81 h GLN 16 Cb 0.56 0.03 -0.08 0.00 0.21 0.00 0.00 27.48 28.21 2q81 h GLN 16 CO 0.03 -0.10 -0.01 1.96 -1.93 0.00 0.00 178.83 178.78 2q81 h GLN 17 N -0.15 0.10 0.00 1.69 4.20 -0.75 -2.33 115.11 117.86 2q81 h GLN 17 Ca 0.06 -0.01 -0.15 0.00 0.06 0.00 0.00 58.65 58.62 2q81 h GLN 17 Cb 0.24 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 2q81 h GLN 17 CO -0.16 0.06 -0.70 0.07 -0.67 0.00 0.00 178.83 177.44 2q81 h ARG 18 N 0.10 0.00 -0.40 1.46 -0.00 -0.97 0.33 114.38 114.89 2q81 h ARG 18 Ca 0.24 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 60.19 2q81 h ARG 18 Cb 0.36 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.31 2q81 h ARG 18 CO -0.41 0.70 0.13 0.37 -0.00 0.00 0.00 179.97 180.76 2q81 h GLN 19 N 0.00 0.57 -0.01 0.08 5.75 -1.12 -2.23 115.11 118.15 2q81 h GLN 19 Ca -0.01 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.41 2q81 h GLN 19 Cb 1.25 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.69 2q81 h GLN 19 CO 0.09 0.50 -0.48 1.28 -2.65 0.00 0.00 178.83 177.57 2q81 n LEU 20 N -4.35 1.24 -1.33 -2.39 4.77 -0.67 -4.96 117.00 109.31 2q81 n LEU 20 Ca 0.03 -0.41 -0.12 0.00 -0.03 0.00 0.00 56.01 55.48 2q81 n LEU 20 Cb 0.17 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 2q81 n LEU 20 CO 0.38 0.25 -0.15 0.61 -1.33 0.00 0.00 177.39 177.14 2q81 n GLY 21 N 1.42 -0.05 3.75 -0.72 0.00 0.76 -5.01 105.19 105.34 2q81 n GLY 21 Ca 0.09 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 2q81 n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2q81 s LEU 22 N -3.36 4.35 -1.67 0.99 1.43 0.79 -4.27 118.68 116.94 2q81 s LEU 22 Ca 0.00 0.92 0.00 0.00 -1.03 0.00 0.00 54.13 54.02 2q81 s LEU 22 Cb 0.00 -2.72 0.00 0.00 0.03 0.00 0.00 46.19 43.50 2q81 s LEU 22 CO 0.00 0.09 0.00 0.18 0.23 0.00 0.00 176.35 176.85 2q81 n LEU 23 N 3.07 -1.63 -4.86 1.79 4.77 -1.26 -4.45 117.00 114.43 2q81 n LEU 23 Ca -0.09 0.14 -0.36 0.00 -0.03 0.00 0.00 56.01 55.68 2q81 n LEU 23 Cb 0.52 -2.69 -0.06 0.00 -2.33 0.00 0.00 43.42 38.86 2q81 n LEU 23 CO 0.42 -0.38 0.01 0.00 -1.33 0.00 0.00 177.39 176.12 2q81 n ASP 25 N 1.38 1.88 -4.04 0.00 5.68 -1.03 -4.96 116.55 115.46 2q81 n ASP 25 Ca -0.12 -1.90 -0.27 0.00 -0.50 0.00 0.00 54.79 52.00 2q81 n ASP 25 Cb 0.53 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.34 2q81 n ASP 25 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2q81 s THR 27 N 0.87 1.67 -0.13 0.00 2.01 -0.17 -1.35 115.64 118.54 2q81 s THR 27 Ca -0.10 -0.74 -0.06 0.00 0.31 0.00 0.00 61.69 61.11 2q81 s THR 27 Cb -0.15 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 2q81 s THR 27 CO 0.01 0.47 0.07 -0.36 -0.69 0.00 0.00 174.62 174.12 2q81 s PHE 28 N 0.96 3.35 -0.16 4.92 0.08 0.54 -0.40 117.98 127.27 2q81 s PHE 28 Ca -0.06 0.28 0.01 0.00 0.12 0.00 0.00 56.93 57.28 2q81 s PHE 28 Cb -0.15 -1.94 0.02 0.00 -0.57 0.00 0.00 43.02 40.39 2q81 s PHE 28 CO -0.02 0.47 -0.17 0.08 -0.10 0.00 0.00 175.22 175.48 2q81 s VAL 29 N -0.54 1.79 -0.14 -0.44 1.01 -0.83 -0.88 120.40 120.36 2q81 s VAL 29 Ca 0.11 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 2q81 s VAL 29 Cb -0.12 -1.65 0.04 0.00 0.00 0.00 0.00 36.38 34.66 2q81 s VAL 29 CO 0.02 0.49 0.44 0.54 0.00 0.00 0.00 175.10 176.59 2q81 s VAL 30 N 1.40 0.01 -1.47 2.92 0.11 0.77 -4.52 120.40 119.61 2q81 s VAL 30 Ca 0.05 -0.06 -0.08 0.00 -2.93 0.00 0.00 61.98 58.95 2q81 s VAL 30 Cb -0.13 -0.65 0.06 0.00 -1.53 0.00 0.00 36.38 34.13 2q81 s VAL 30 CO -0.12 -0.04 0.79 0.47 -3.33 0.00 0.00 175.10 172.88 2q81 n ASP 31 N 2.52 -2.85 -1.08 3.54 8.00 -1.26 -0.68 116.55 124.74 2q81 n ASP 31 Ca -0.15 -0.86 -0.14 0.00 0.71 0.00 0.00 54.79 54.36 2q81 n ASP 31 Cb 0.57 -3.67 -0.06 0.00 -0.02 0.00 0.00 41.12 37.94 2q81 n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2q81 n GLY 32 N -1.67 1.46 3.15 0.44 0.00 -1.26 -4.96 105.19 102.35 2q81 n GLY 32 Ca -0.11 -0.31 -0.08 0.00 0.00 0.00 0.00 46.02 45.52 2q81 n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q81 s VAL 33 N -2.49 0.18 0.12 1.61 0.11 0.14 -5.17 120.40 114.90 2q81 s VAL 33 Ca 0.00 -1.44 0.09 0.00 -2.93 0.00 0.00 61.98 57.70 2q81 s VAL 33 Cb 0.00 -1.40 -0.04 0.00 -1.53 0.00 0.00 36.38 33.41 2q81 s VAL 33 CO 0.00 -0.80 -0.21 -1.38 -3.33 0.00 0.00 175.10 169.38 2q81 s HIS 34 N -3.84 1.89 -0.02 1.54 -3.43 -1.26 -0.17 115.29 110.01 2q81 s HIS 34 Ca 0.05 -0.42 0.02 0.00 -0.80 0.00 0.00 55.06 53.92 2q81 s HIS 34 Cb 0.06 -1.01 0.00 0.00 -1.43 0.00 0.00 32.58 30.20 2q81 s HIS 34 CO -0.10 0.27 -0.08 -0.06 -2.00 0.00 0.00 174.74 172.76 2q81 s PHE 35 N -1.37 0.80 0.08 0.38 0.08 -0.06 -4.98 117.98 112.92 2q81 s PHE 35 Ca 0.10 -0.18 0.05 0.00 0.12 0.00 0.00 56.93 57.02 2q81 s PHE 35 Cb -0.09 -0.56 -0.04 0.00 -0.57 0.00 0.00 43.02 41.76 2q81 s PHE 35 CO 0.05 -0.07 -0.01 0.15 -0.10 0.00 0.00 175.22 175.25 2q81 s LYS 36 N 0.10 2.53 0.24 0.44 1.02 -1.26 -0.34 119.74 122.47 2q81 s LYS 36 Ca -0.01 -0.84 -0.20 0.00 0.02 0.00 0.00 55.97 54.94 2q81 s LYS 36 Cb -0.07 -2.53 0.03 0.00 -0.52 0.00 0.00 37.83 34.74 2q81 s LYS 36 CO 0.00 0.54 0.65 0.00 -0.92 0.00 0.00 175.35 175.62 2q81 s ALA 37 N -1.28 -1.14 -0.21 5.17 0.00 -0.46 -4.82 121.76 119.01 2q81 s ALA 37 Ca 0.25 -0.22 -0.13 0.00 0.00 0.00 0.00 51.96 51.86 2q81 s ALA 37 Cb -0.12 0.88 -0.05 0.00 0.00 0.00 0.00 23.12 23.84 2q81 s ALA 37 CO 0.17 -0.94 0.25 -1.01 0.00 0.00 0.00 175.76 174.23 2q81 s HIS 38 N -3.90 3.37 0.29 0.00 0.09 -1.26 -1.85 115.29 112.03 2q81 s HIS 38 Ca 0.10 0.42 0.03 0.00 -0.00 0.00 0.00 55.06 55.61 2q81 s HIS 38 Cb -0.04 -2.34 0.62 0.00 -0.00 0.00 0.00 32.58 30.82 2q81 s HIS 38 CO 0.03 0.10 1.82 0.87 -0.00 0.00 0.00 174.74 177.55 2q81 h LYS 39 N 7.22 0.89 -0.14 1.40 1.57 -1.94 -2.21 116.57 123.36 2q81 h LYS 39 Ca -0.38 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.24 2q81 h LYS 39 Cb 1.16 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 2q81 h LYS 39 CO 0.70 0.59 -0.38 0.00 -0.57 0.00 0.00 179.45 179.80 2q81 h ALA 40 N 1.58 1.10 -0.05 3.86 0.00 -1.98 0.17 119.26 123.93 2q81 h ALA 40 Ca 0.52 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2q81 h ALA 40 Cb 0.63 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 2q81 h ALA 40 CO -0.30 0.58 -0.07 0.28 0.00 0.00 0.00 179.25 179.74 2q81 h VAL 41 N 0.26 1.40 -0.96 0.00 2.07 -1.86 -2.91 116.25 114.24 2q81 h VAL 41 Ca 0.03 -1.29 0.06 0.00 0.82 0.00 0.00 66.70 66.31 2q81 h VAL 41 Cb 0.79 2.13 -0.06 0.00 -1.52 0.00 0.00 31.29 32.63 2q81 h VAL 41 CO 0.06 0.35 0.62 -0.07 0.02 0.00 0.00 177.57 178.55 2q81 h LEU 42 N -0.33 0.99 -2.30 2.57 3.38 -1.27 -1.65 115.31 116.70 2q81 h LEU 42 Ca 0.01 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2q81 h LEU 42 Cb 0.61 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2q81 h LEU 42 CO 0.02 0.64 -0.02 0.00 0.09 0.00 0.00 178.44 179.17 2q81 h ALA 43 N 1.43 1.06 0.00 1.53 0.00 -0.99 -0.61 119.26 121.68 2q81 h ALA 43 Ca 0.41 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 2q81 h ALA 43 Cb 0.14 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2q81 h ALA 43 CO -0.16 0.02 -0.13 0.00 0.00 0.00 0.00 179.25 178.98 2q81 h ALA 44 N 1.98 0.95 0.00 0.00 0.00 -1.09 -3.35 119.26 117.76 2q81 h ALA 44 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2q81 h ALA 44 Cb 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2q81 h ALA 44 CO 0.00 0.17 -0.40 0.00 0.00 0.00 0.00 179.25 179.02 2q81 s SER 46 N -1.52 1.08 0.20 0.00 0.15 -0.30 -5.03 113.70 108.28 2q81 s SER 46 Ca 0.00 -0.02 -0.10 0.00 0.70 0.00 0.00 55.95 56.53 2q81 s SER 46 Cb 0.02 -0.29 0.15 0.00 -1.71 0.00 0.00 66.02 64.19 2q81 s SER 46 CO 0.09 -0.18 1.83 -0.33 1.20 0.00 0.00 173.24 175.85 2q81 h GLU 47 N 7.98 1.04 -0.20 5.44 5.08 -1.86 -0.22 114.58 131.84 2q81 h GLU 47 Ca -0.25 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.05 2q81 h GLU 47 Cb 1.13 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 30.11 2q81 h GLU 47 CO 0.30 0.76 -0.17 -0.92 -1.00 0.00 0.00 179.01 177.99 2q81 h TYR 48 N 1.03 -0.43 -0.44 4.33 3.20 -1.90 -1.00 116.97 121.77 2q81 h TYR 48 Ca 0.27 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.07 2q81 h TYR 48 Cb 0.02 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 2q81 h TYR 48 CO -0.00 -0.24 -0.10 0.74 -1.64 0.00 0.00 178.16 176.91 2q81 h PHE 49 N -0.18 0.94 -0.67 -3.82 0.04 -1.82 0.35 116.94 111.78 2q81 h PHE 49 Ca 0.12 -0.20 0.10 0.00 2.80 0.00 0.00 57.97 60.79 2q81 h PHE 49 Cb 0.36 -0.23 -0.08 0.00 2.20 0.00 0.00 35.95 38.20 2q81 h PHE 49 CO -0.32 0.94 0.29 -0.22 -0.60 0.00 0.00 178.31 178.41 2q81 h LYS 50 N 0.67 0.47 0.19 1.51 3.64 -0.83 0.43 116.57 122.65 2q81 h LYS 50 Ca 0.11 -0.03 -0.29 0.00 -1.27 0.00 0.00 60.65 59.17 2q81 h LYS 50 Cb 0.64 -0.11 0.03 0.00 -0.41 0.00 0.00 32.23 32.38 2q81 h LYS 50 CO 0.04 0.31 -1.25 0.52 -2.27 0.00 0.00 179.45 176.81 2q81 h MET 51 N 0.49 0.51 -0.02 1.90 2.86 -1.06 -3.23 114.93 116.38 2q81 h MET 51 Ca 0.34 -0.80 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 2q81 h MET 51 Cb 0.42 0.29 -0.00 0.00 0.06 0.00 0.00 31.60 32.36 2q81 h MET 51 CO -0.31 1.37 0.01 1.25 1.06 0.00 0.00 176.91 180.30 2q81 h LEU 52 N 0.07 0.03 -0.38 1.22 5.85 -0.09 -3.32 115.31 118.68 2q81 h LEU 52 Ca -0.21 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2q81 h LEU 52 Cb 1.96 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.98 2q81 h LEU 52 CO 0.24 0.04 0.00 -0.26 -0.34 0.00 0.00 178.44 178.11 2q81 h PHE 53 N 0.01 0.00 -3.74 1.25 0.04 -0.25 -3.44 116.94 110.81 2q81 h PHE 53 Ca 0.01 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.24 2q81 h PHE 53 Cb 0.01 0.00 0.10 0.00 2.20 0.00 0.00 35.95 38.26 2q81 h PHE 53 CO -0.07 0.00 0.81 0.14 -0.60 0.00 0.00 178.31 178.58 2q81 s VAL 54 N -3.33 2.10 0.00 -0.55 -7.23 -1.22 -1.42 120.40 108.75 2q81 s VAL 54 Ca 0.06 0.09 0.00 0.00 -1.81 0.00 0.00 61.98 60.32 2q81 s VAL 54 Cb 0.06 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.94 2q81 s VAL 54 CO 0.63 0.02 0.00 0.47 -0.31 0.00 0.00 175.10 175.91 2q81 n ASP 55 N 1.05 0.00 -4.90 4.85 9.92 -1.26 -5.00 116.55 121.22 2q81 n ASP 55 Ca 0.03 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 54.01 2q81 n ASP 55 Cb 0.39 -0.40 -0.02 0.00 -0.64 0.00 0.00 41.12 40.44 2q81 n ASP 55 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2q81 s GLN 56 N 0.00 3.64 0.00 -1.24 -1.52 -0.51 -5.08 119.66 114.96 2q81 s GLN 56 Ca 0.00 0.18 0.00 0.00 -1.95 0.00 0.00 55.36 53.59 2q81 s GLN 56 Cb 0.00 -2.49 0.00 0.00 -0.22 0.00 0.00 33.01 30.30 2q81 s GLN 56 CO 0.00 0.02 0.00 1.63 -0.25 0.00 0.00 175.29 176.69 2q81 n LYS 57 N -1.47 0.00 -2.80 2.91 4.76 -1.26 -5.03 118.16 115.27 2q81 n LYS 57 Ca -0.00 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.04 2q81 n LYS 57 Cb 0.54 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.67 2q81 n LYS 57 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2q81 s ASP 58 N -0.41 7.56 -0.11 4.39 1.01 -1.26 -4.84 116.67 123.01 2q81 s ASP 58 Ca 0.00 1.87 0.02 0.00 0.71 0.00 0.00 52.55 55.16 2q81 s ASP 58 Cb 0.00 -2.58 0.01 0.00 1.01 0.00 0.00 42.92 41.36 2q81 s ASP 58 CO 0.00 0.14 -0.16 -0.69 0.21 0.00 0.00 175.17 174.67 2q81 s VAL 59 N -1.23 1.57 -0.34 -1.27 1.01 0.36 -5.02 120.40 115.47 2q81 s VAL 59 Ca 0.41 -0.69 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 2q81 s VAL 59 Cb -0.25 -1.41 0.03 0.00 0.00 0.00 0.00 36.38 34.75 2q81 s VAL 59 CO 0.30 0.45 0.13 -0.69 0.00 0.00 0.00 175.10 175.29 2q81 s VAL 60 N 0.87 4.03 -0.28 2.92 1.01 -1.26 -1.00 120.40 126.69 2q81 s VAL 60 Ca -0.09 -1.00 -0.05 0.00 0.00 0.00 0.00 61.98 60.85 2q81 s VAL 60 Cb -0.15 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 32.99 2q81 s VAL 60 CO 0.00 -0.16 0.03 -2.28 0.00 0.00 0.00 175.10 172.69 2q81 s HIS 61 N 1.46 3.13 -0.96 5.22 2.46 0.47 -4.97 115.29 122.10 2q81 s HIS 61 Ca -0.00 -1.21 0.11 0.00 0.47 0.00 0.00 55.06 54.43 2q81 s HIS 61 Cb -0.19 -2.18 0.31 0.00 -0.13 0.00 0.00 32.58 30.38 2q81 s HIS 61 CO 0.04 -0.64 1.25 1.28 -2.47 0.00 0.00 174.74 174.20 2q81 n LEU 62 N 4.79 2.93 -0.73 8.88 4.77 -1.26 -1.97 117.00 134.41 2q81 n LEU 62 Ca -0.15 -1.98 0.08 0.00 -0.03 0.00 0.00 56.01 53.94 2q81 n LEU 62 Cb 0.47 -0.23 0.10 0.00 -2.33 0.00 0.00 43.42 41.43 2q81 n LEU 62 CO 0.30 0.73 0.55 0.47 -1.33 0.00 0.00 177.39 178.10 2q81 n ASP 63 N 0.55 2.58 -4.76 -1.43 8.00 -1.26 -4.90 116.55 115.32 2q81 n ASP 63 Ca 0.12 -1.75 -0.41 0.00 0.71 0.00 0.00 54.79 53.46 2q81 n ASP 63 Cb 0.43 -0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.45 2q81 n ASP 63 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2q81 s ILE 64 N -1.34 2.84 -0.03 0.53 -1.09 -1.26 -4.96 121.20 115.89 2q81 s ILE 64 Ca 0.22 0.82 -0.24 0.00 -2.23 0.00 0.00 60.65 59.23 2q81 s ILE 64 Cb 0.15 -3.53 -0.17 0.00 -1.58 0.00 0.00 42.46 37.33 2q81 s ILE 64 CO 0.22 0.19 1.08 0.28 -1.23 0.00 0.00 174.94 175.48 2q81 h SER 65 N 3.69 -0.19 -4.36 3.58 0.02 -1.93 -3.45 113.55 110.91 2q81 h SER 65 Ca -0.48 -0.33 -0.16 0.00 -0.84 0.00 0.00 61.79 59.98 2q81 h SER 65 Cb 1.22 0.05 -0.23 0.00 0.14 0.00 0.00 62.40 63.58 2q81 h SER 65 CO 0.67 0.29 -0.49 0.54 -1.14 0.00 0.00 176.83 176.70 2q81 s ASN 66 N -5.40 -0.10 0.16 3.07 4.22 -1.26 -4.80 114.94 110.83 2q81 s ASN 66 Ca -0.14 0.11 -0.08 0.00 -2.14 0.00 0.00 52.86 50.61 2q81 s ASN 66 Cb 0.01 0.30 0.02 0.00 1.28 0.00 0.00 41.25 42.86 2q81 s ASN 66 CO 0.55 -0.21 1.48 0.00 -2.04 0.00 0.00 177.10 176.87 2q81 h ALA 67 N 5.08 0.61 -0.06 3.54 0.00 -1.91 -2.86 119.26 123.67 2q81 h ALA 67 Ca -0.28 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.14 2q81 h ALA 67 Cb 1.19 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2q81 h ALA 67 CO 0.40 0.68 0.01 0.00 0.00 0.00 0.00 179.25 180.34 2q81 h ALA 68 N 0.84 0.07 -0.82 0.00 0.00 -1.97 -0.17 119.26 117.21 2q81 h ALA 68 Ca 0.03 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2q81 h ALA 68 Cb 1.05 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2q81 h ALA 68 CO 0.10 -0.30 0.47 0.78 0.00 0.00 0.00 179.25 180.30 2q81 h GLY 69 N -0.13 1.21 0.80 0.00 0.00 -1.74 -2.56 103.07 100.64 2q81 h GLY 69 Ca 0.02 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 2q81 h GLY 69 CO 0.00 0.51 0.00 -2.00 0.00 0.00 0.00 176.54 175.06 2q81 h LEU 70 N 1.14 0.27 -0.69 3.11 5.85 -1.34 -1.15 115.31 122.50 2q81 h LEU 70 Ca 0.29 -0.30 0.15 0.00 0.84 0.00 0.00 57.88 58.86 2q81 h LEU 70 Cb 0.00 -0.07 -0.12 0.00 0.37 0.00 0.00 40.66 40.83 2q81 h LEU 70 CO -0.05 0.51 -0.08 1.23 -0.34 0.00 0.00 178.44 179.71 2q81 h GLY 71 N 0.03 0.64 1.01 3.75 0.00 -0.95 0.17 103.07 107.73 2q81 h GLY 71 Ca 0.05 0.16 -0.11 0.00 0.00 0.00 0.00 47.33 47.43 2q81 h GLY 71 CO 0.01 -0.26 -0.18 1.46 0.00 0.00 0.00 176.54 177.57 2q81 h GLN 72 N 0.06 0.80 -0.50 4.80 4.20 -1.34 -1.14 115.11 121.99 2q81 h GLN 72 Ca 0.36 -0.35 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2q81 h GLN 72 Cb 0.58 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 2q81 h GLN 72 CO -0.65 0.97 0.27 0.28 -0.67 0.00 0.00 178.83 179.03 2q81 h VAL 73 N 0.61 1.18 -0.42 -0.54 2.07 -0.72 -0.89 116.25 117.54 2q81 h VAL 73 Ca 0.09 -0.46 -0.08 0.00 0.82 0.00 0.00 66.70 67.07 2q81 h VAL 73 Cb 0.73 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2q81 h VAL 73 CO 0.05 0.19 -0.07 -0.07 0.02 0.00 0.00 177.57 177.70 2q81 h LEU 74 N 0.66 0.78 -0.58 2.57 3.38 -0.66 -1.16 115.31 120.29 2q81 h LEU 74 Ca 0.18 -0.35 0.06 0.00 0.09 0.00 0.00 57.88 57.86 2q81 h LEU 74 Cb 0.06 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 2q81 h LEU 74 CO -0.03 0.94 0.28 -0.08 0.09 0.00 0.00 178.44 179.65 2q81 h GLU 75 N 0.60 0.51 -0.06 1.13 4.57 -1.08 -2.23 114.58 118.02 2q81 h GLU 75 Ca 0.11 -0.03 0.01 0.00 -1.18 0.00 0.00 59.36 58.27 2q81 h GLU 75 Cb 0.58 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 2q81 h GLU 75 CO 0.03 0.34 -0.02 0.35 -1.18 0.00 0.00 179.01 178.53 2q81 h PHE 76 N 0.53 -0.05 -0.77 0.92 3.57 -0.94 0.17 116.94 120.37 2q81 h PHE 76 Ca 0.27 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.91 2q81 h PHE 76 Cb 0.22 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 2q81 h PHE 76 CO -0.11 -0.04 0.51 0.52 -2.23 0.00 0.00 178.31 176.96 2q81 h MET 77 N -0.01 0.48 0.08 1.11 2.86 -0.90 0.57 114.93 119.12 2q81 h MET 77 Ca 0.03 -0.03 -0.26 0.00 -2.06 0.00 0.00 59.70 57.39 2q81 h MET 77 Cb 0.06 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 2q81 h MET 77 CO -0.07 0.32 -1.35 1.88 1.06 0.00 0.00 176.91 178.75 2q81 h TYR 78 N 0.49 0.33 0.00 -0.22 0.05 -1.17 -3.43 116.97 113.02 2q81 h TYR 78 Ca 0.38 -0.24 0.00 0.00 0.05 0.00 0.00 58.73 58.92 2q81 h TYR 78 Cb 0.77 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.50 2q81 h TYR 78 CO -0.00 1.53 -0.72 0.25 -1.05 0.00 0.00 178.16 178.17 2q81 n THR 79 N -4.03 0.00 -0.48 -2.88 -2.24 0.57 -4.91 114.28 100.30 2q81 n THR 79 Ca -0.26 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 2q81 n THR 79 Cb 0.84 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 2q81 n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2q81 n ALA 80 N -1.39 0.00 -2.29 6.98 0.00 0.20 -5.00 120.51 119.00 2q81 n ALA 80 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.02 2q81 n ALA 80 Cb 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 2q81 n ALA 80 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2q81 s LYS 81 N -0.06 4.21 -0.14 0.00 1.02 -1.26 -4.90 119.74 118.61 2q81 s LYS 81 Ca 0.00 1.82 -0.04 0.00 0.02 0.00 0.00 55.97 57.77 2q81 s LYS 81 Cb 0.00 -3.84 0.07 0.00 -0.52 0.00 0.00 37.83 33.54 2q81 s LYS 81 CO 0.00 -0.76 0.24 -1.17 -0.92 0.00 0.00 175.35 172.74 2q81 s LEU 82 N 3.69 -0.22 -0.31 3.17 2.96 -1.26 -3.04 118.68 123.66 2q81 s LEU 82 Ca 0.61 0.36 -0.10 0.00 -0.22 0.00 0.00 54.13 54.78 2q81 s LEU 82 Cb -0.25 0.56 -0.01 0.00 0.50 0.00 0.00 46.19 46.99 2q81 s LEU 82 CO 0.19 -0.26 0.15 -0.44 -1.32 0.00 0.00 176.35 174.67 2q81 s SER 83 N 2.38 5.54 -0.21 3.68 0.01 -1.26 -5.09 113.70 118.74 2q81 s SER 83 Ca 0.03 -0.54 -0.09 0.00 1.31 0.00 0.00 55.95 56.67 2q81 s SER 83 Cb -0.13 -2.00 -0.04 0.00 0.21 0.00 0.00 66.02 64.06 2q81 s SER 83 CO -0.09 -0.20 0.10 -0.76 0.41 0.00 0.00 173.24 172.71 2q81 s LEU 84 N 1.61 3.88 0.04 2.44 1.43 -1.26 -4.96 118.68 121.86 2q81 s LEU 84 Ca 0.04 0.05 -0.03 0.00 -1.03 0.00 0.00 54.13 53.17 2q81 s LEU 84 Cb -0.17 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 2q81 s LEU 84 CO 0.06 0.10 0.03 -0.94 0.23 0.00 0.00 176.35 175.83 2q81 s SER 85 N 0.81 0.29 0.66 2.29 1.04 -1.26 -5.02 113.70 112.52 2q81 s SER 85 Ca 0.05 -0.68 0.25 0.00 0.48 0.00 0.00 55.95 56.05 2q81 s SER 85 Cb -0.13 0.19 1.34 0.00 0.10 0.00 0.00 66.02 67.52 2q81 s SER 85 CO 0.02 -0.49 1.76 -0.65 0.98 0.00 0.00 173.24 174.86 2q81 h PRO 86 N 3.71 0.00 -0.02 4.02 0.11 -1.99 -0.52 132.00 137.32 2q81 h PRO 86 Ca -0.33 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.63 2q81 h PRO 86 Cb 1.18 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.30 2q81 h PRO 86 CO 0.53 0.00 -0.57 0.93 -0.21 0.00 0.00 178.00 178.68 2q81 h GLU 87 N 0.00 0.41 -0.01 1.05 4.39 -2.00 -3.38 114.58 115.04 2q81 h GLU 87 Ca 0.01 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.29 2q81 h GLU 87 Cb 0.93 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 2q81 h GLU 87 CO -0.00 1.08 -0.25 0.27 -1.16 0.00 0.00 179.01 178.95 2q81 n ASN 88 N -4.24 1.61 0.02 1.42 0.23 -0.61 -4.69 115.26 109.01 2q81 n ASN 88 Ca -0.10 -1.30 -0.00 0.00 -0.53 0.00 0.00 54.58 52.64 2q81 n ASN 88 Cb 0.65 0.40 0.29 0.00 -2.08 0.00 0.00 39.78 39.05 2q81 n ASN 88 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 2q81 h VAL 89 N 1.78 1.21 -0.22 3.53 3.04 -1.31 -2.26 116.25 122.01 2q81 h VAL 89 Ca 0.00 -0.88 -0.15 0.00 -1.01 0.00 0.00 66.70 64.66 2q81 h VAL 89 Cb 0.50 1.07 -0.01 0.00 -2.01 0.00 0.00 31.29 30.85 2q81 h VAL 89 CO 0.00 0.29 -0.47 0.44 -1.01 0.00 0.00 177.57 176.82 2q81 h ASP 90 N 0.44 0.64 -0.35 3.17 3.32 -1.84 0.14 116.42 121.95 2q81 h ASP 90 Ca 0.09 -0.31 -0.08 0.00 0.02 0.00 0.00 57.03 56.75 2q81 h ASP 90 Cb 0.40 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 2q81 h ASP 90 CO 0.02 1.01 -0.08 0.44 -1.72 0.00 0.00 179.24 178.92 2q81 h ASP 91 N 0.47 0.67 -0.24 6.45 3.32 -1.80 -1.83 116.42 123.46 2q81 h ASP 91 Ca 0.03 -0.36 -0.08 0.00 0.02 0.00 0.00 57.03 56.64 2q81 h ASP 91 Cb 1.00 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 2q81 h ASP 91 CO 0.09 0.87 -0.15 0.58 -1.72 0.00 0.00 179.24 178.91 2q81 h VAL 92 N 0.46 1.31 0.01 -1.35 2.07 -1.35 -2.97 116.25 114.43 2q81 h VAL 92 Ca 0.09 -1.26 0.03 0.00 0.82 0.00 0.00 66.70 66.38 2q81 h VAL 92 Cb 0.58 1.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.92 2q81 h VAL 92 CO 0.03 0.39 -0.29 0.25 0.02 0.00 0.00 177.57 177.97 2q81 h LEU 93 N 0.23 -0.86 -0.75 2.57 5.85 -0.71 0.46 115.31 122.09 2q81 h LEU 93 Ca 0.05 0.11 0.16 0.00 0.84 0.00 0.00 57.88 59.04 2q81 h LEU 93 Cb 0.67 0.35 -0.14 0.00 0.37 0.00 0.00 40.66 41.91 2q81 h LEU 93 CO 0.04 -0.36 -0.14 0.00 -0.34 0.00 0.00 178.44 177.64 2q81 h ALA 94 N 0.33 0.57 -0.16 1.25 0.00 -1.30 1.22 119.26 121.17 2q81 h ALA 94 Ca 0.06 0.28 -0.19 0.00 0.00 0.00 0.00 54.91 55.06 2q81 h ALA 94 Cb 0.52 0.54 0.01 0.00 0.00 0.00 0.00 17.79 18.86 2q81 h ALA 94 CO -0.24 -0.42 -0.65 0.28 0.00 0.00 0.00 179.25 178.22 2q81 h VAL 95 N 0.02 1.30 -0.69 0.00 2.07 -1.33 -1.19 116.25 116.44 2q81 h VAL 95 Ca 0.37 -1.88 -0.02 0.00 0.82 0.00 0.00 66.70 65.99 2q81 h VAL 95 Cb 0.60 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.33 2q81 h VAL 95 CO -0.75 0.59 0.33 0.00 0.02 0.00 0.00 177.57 177.76 2q81 h ALA 96 N 0.54 1.29 -0.58 1.67 0.00 0.07 -0.21 119.26 122.03 2q81 h ALA 96 Ca -0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2q81 h ALA 96 Cb 1.28 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2q81 h ALA 96 CO 0.14 0.55 0.20 1.15 0.00 0.00 0.00 179.25 181.29 2q81 h THR 97 N 0.97 1.24 -0.16 0.00 2.02 0.16 -0.28 112.91 116.85 2q81 h THR 97 Ca 0.24 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 2q81 h THR 97 Cb 0.10 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 2q81 h THR 97 CO -0.03 0.30 0.07 0.15 0.37 0.00 0.00 175.52 176.37 2q81 h PHE 98 N 0.82 0.25 -0.21 3.16 3.57 -0.90 -2.96 116.94 120.66 2q81 h PHE 98 Ca 0.19 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2q81 h PHE 98 Cb 0.26 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.92 2q81 h PHE 98 CO 0.02 0.31 0.00 1.28 -2.23 0.00 0.00 178.31 177.69 2q81 n LEU 99 N -4.87 1.15 -3.94 0.59 4.77 -0.12 -4.92 117.00 109.67 2q81 n LEU 99 Ca -0.04 -0.57 -0.25 0.00 -0.03 0.00 0.00 56.01 55.11 2q81 n LEU 99 Cb 0.12 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 40.99 2q81 n LEU 99 CO 0.35 0.29 -0.37 0.00 -1.33 0.00 0.00 177.39 176.33 2q81 n GLN 100 N 0.13 -0.94 -2.95 3.23 1.13 -0.23 -4.28 117.38 113.46 2q81 n GLN 100 Ca 0.07 0.07 -0.43 0.00 -1.94 0.00 0.00 57.00 54.77 2q81 n GLN 100 Cb 0.18 -2.89 -0.04 0.00 0.11 0.00 0.00 30.24 27.60 2q81 n GLN 100 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 2q81 s MET 101 N -6.46 3.14 0.16 -1.09 -1.94 -0.55 -4.87 119.30 107.68 2q81 s MET 101 Ca 0.04 -0.84 -0.10 0.00 -1.71 0.00 0.00 55.69 53.07 2q81 s MET 101 Cb -0.02 -4.19 -0.00 0.00 2.01 0.00 0.00 34.83 32.63 2q81 s MET 101 CO 0.80 -1.61 1.51 1.96 -0.01 0.00 0.00 175.02 177.67 2q81 h GLN 102 N 9.35 0.93 -0.17 2.03 1.08 -1.90 -1.45 115.11 124.98 2q81 h GLN 102 Ca -0.28 -0.46 0.00 0.00 -1.45 0.00 0.00 58.65 56.46 2q81 h GLN 102 Cb 1.08 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.50 2q81 h GLN 102 CO 1.11 1.11 0.11 -0.44 -0.95 0.00 0.00 178.83 179.78 2q81 h ASP 103 N 0.77 0.18 -0.46 1.46 5.19 -1.99 0.14 116.42 121.72 2q81 h ASP 103 Ca 0.07 -0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.44 2q81 h ASP 103 Cb 0.92 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 40.37 2q81 h ASP 103 CO 0.09 0.13 0.13 0.40 -3.12 0.00 0.00 179.24 176.87 2q81 h ILE 104 N 0.22 1.23 -0.44 0.35 2.04 -1.97 -0.36 117.51 118.59 2q81 h ILE 104 Ca 0.06 -0.77 0.09 0.00 1.00 0.00 0.00 64.86 65.24 2q81 h ILE 104 Cb -0.02 0.85 -0.09 0.00 -0.74 0.00 0.00 36.82 36.83 2q81 h ILE 104 CO -0.02 0.28 -0.14 0.40 0.00 0.00 0.00 178.15 178.67 2q81 h ILE 105 N 0.61 0.51 -0.10 -0.67 2.04 -0.78 0.19 117.51 119.30 2q81 h ILE 105 Ca 0.15 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.00 2q81 h ILE 105 Cb 0.29 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 2q81 h ILE 105 CO -0.00 0.00 0.05 0.74 0.00 0.00 0.00 178.15 178.93 2q81 h THR 106 N -0.04 1.13 -0.76 -0.27 2.02 -0.49 -0.70 112.91 113.79 2q81 h THR 106 Ca 0.21 -0.39 0.13 0.00 0.77 0.00 0.00 66.41 67.14 2q81 h THR 106 Cb 0.36 1.20 -0.09 0.00 -1.74 0.00 0.00 68.15 67.88 2q81 h THR 106 CO -0.47 0.12 0.34 0.00 0.37 0.00 0.00 175.52 175.88 2q81 h ALA 107 N 0.90 1.09 -0.38 6.16 0.00 -0.73 0.34 119.26 126.63 2q81 h ALA 107 Ca 0.03 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2q81 h ALA 107 Cb 0.14 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2q81 h ALA 107 CO -0.00 -0.15 0.07 0.00 0.00 0.00 0.00 179.25 179.17 2q81 h HIS 109 N 0.47 1.18 -0.55 0.00 3.86 -0.65 -0.89 115.15 118.57 2q81 h HIS 109 Ca 0.12 -0.11 0.02 0.00 -1.16 0.00 0.00 60.37 59.24 2q81 h HIS 109 Cb 0.34 -0.34 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 2q81 h HIS 109 CO 0.02 0.92 0.33 0.00 0.86 0.00 0.00 177.93 180.06 2q81 h ALA 110 N 1.13 0.70 -0.28 2.45 0.00 -0.85 -0.12 119.26 122.29 2q81 h ALA 110 Ca 0.24 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 2q81 h ALA 110 Cb 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2q81 h ALA 110 CO -0.01 0.05 -0.34 1.25 0.00 0.00 0.00 179.25 180.20 2q81 h LEU 111 N 0.66 0.64 -1.27 0.00 5.85 -1.16 -2.46 115.31 117.57 2q81 h LEU 111 Ca 0.22 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 2q81 h LEU 111 Cb 0.02 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2q81 h LEU 111 CO -0.10 0.93 -0.25 0.11 -0.34 0.00 0.00 178.44 178.80 2q81 h LYS 112 N 0.52 0.19 0.00 1.25 1.57 -0.86 -2.91 116.57 116.33 2q81 h LYS 112 Ca 0.06 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2q81 h LYS 112 Cb 0.84 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2q81 h LYS 112 CO 0.07 0.43 0.00 0.43 -0.57 0.00 0.00 179.45 179.81 2q81 n SER 113 N -4.18 0.00 -4.56 0.86 7.64 -0.08 -4.74 113.62 108.56 2q81 n SER 113 Ca -0.01 -1.10 -0.35 0.00 1.01 0.00 0.00 58.87 58.42 2q81 n SER 113 Cb 0.35 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.51 2q81 n SER 113 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2q81 s LEU 114 N -1.47 3.33 0.00 -3.43 1.43 -1.10 -5.07 118.68 112.36 2q81 s LEU 114 Ca 0.16 -0.99 0.20 0.00 -1.03 0.00 0.00 54.13 52.47 2q81 s LEU 114 Cb 0.07 -2.56 0.16 0.00 0.03 0.00 0.00 46.19 43.89 2q81 s LEU 114 CO 0.13 -2.09 1.14 0.00 0.23 0.00 0.00 176.35 175.75