#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q81 s ASP 2 N 0.00 2.18 0.12 6.43 1.47 -1.26 -4.63 116.67 120.97 2q81 s ASP 2 Ca 0.00 1.12 -0.20 0.00 1.18 0.00 0.00 52.55 54.64 2q81 s ASP 2 Cb 0.00 -1.74 -0.06 0.00 -0.34 0.00 0.00 42.92 40.78 2q81 s ASP 2 CO 0.00 -3.40 1.73 0.15 0.68 0.00 0.00 175.17 174.33 2q81 h PHE 3 N -2.08 0.00 -0.68 2.11 3.57 -2.05 0.11 116.94 117.93 2q81 h PHE 3 Ca -0.55 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.11 2q81 h PHE 3 Cb 1.33 0.02 -0.11 0.00 2.79 0.00 0.00 35.95 39.99 2q81 h PHE 3 CO -0.01 -0.01 0.11 -1.35 -2.23 0.00 0.00 178.31 174.81 2q81 h PRO 4 N 0.06 0.20 0.10 6.41 0.11 -1.99 0.11 132.00 137.00 2q81 h PRO 4 Ca 0.07 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 2q81 h PRO 4 Cb 0.08 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.15 2q81 h PRO 4 CO -0.12 0.14 -0.05 0.37 -0.21 0.00 0.00 178.00 178.13 2q81 h GLN 5 N 0.21 -0.13 -0.57 1.05 5.75 -1.85 -2.90 115.11 116.67 2q81 h GLN 5 Ca 0.37 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.89 2q81 h GLN 5 Cb 0.62 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.17 2q81 h GLN 5 CO -0.51 0.22 0.38 1.25 -2.65 0.00 0.00 178.83 177.52 2q81 h HIS 6 N -0.51 0.71 -0.59 3.99 2.76 -0.49 -1.50 115.15 119.52 2q81 h HIS 6 Ca -0.01 0.02 0.12 0.00 -2.20 0.00 0.00 60.37 58.29 2q81 h HIS 6 Cb 0.41 -0.24 -0.09 0.00 1.55 0.00 0.00 27.41 29.04 2q81 h HIS 6 CO 0.04 0.44 0.06 0.77 -1.30 0.00 0.00 177.93 177.94 2q81 h SER 7 N 0.77 -0.15 -0.50 3.26 0.02 -0.87 -0.61 113.55 115.48 2q81 h SER 7 Ca 0.21 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.27 2q81 h SER 7 Cb -0.08 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 2q81 h SER 7 CO -0.05 -0.06 0.22 1.56 -1.14 0.00 0.00 176.83 177.36 2q81 h GLN 8 N 0.17 0.73 -0.36 3.45 4.20 -1.14 -1.51 115.11 120.65 2q81 h GLN 8 Ca 0.31 -0.12 0.03 0.00 0.06 0.00 0.00 58.65 58.92 2q81 h GLN 8 Cb 0.48 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 2q81 h GLN 8 CO -0.46 0.63 0.18 1.25 -0.67 0.00 0.00 178.83 179.77 2q81 h HIS 9 N 0.66 0.34 -0.39 2.96 2.76 -0.88 -0.87 115.15 119.73 2q81 h HIS 9 Ca 0.17 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.35 2q81 h HIS 9 Cb 0.16 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 2q81 h HIS 9 CO -0.00 0.18 0.23 0.28 -1.30 0.00 0.00 177.93 177.33 2q81 h VAL 10 N 0.38 1.13 -0.38 5.26 2.07 -0.79 -1.52 116.25 122.39 2q81 h VAL 10 Ca 0.15 -0.29 -0.13 0.00 0.82 0.00 0.00 66.70 67.25 2q81 h VAL 10 Cb 0.06 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2q81 h VAL 10 CO -0.10 0.13 -0.29 0.25 0.02 0.00 0.00 177.57 177.57 2q81 h LEU 11 N 0.51 0.85 -0.49 2.57 5.85 -1.19 -1.37 115.31 122.04 2q81 h LEU 11 Ca 0.14 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.59 2q81 h LEU 11 Cb 0.00 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 40.74 2q81 h LEU 11 CO -0.03 1.08 0.16 -0.33 -0.34 0.00 0.00 178.44 178.98 2q81 h GLU 12 N 0.70 0.31 -0.80 1.25 5.08 -0.97 0.11 114.58 120.26 2q81 h GLU 12 Ca 0.08 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2q81 h GLU 12 Cb 0.83 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 2q81 h GLU 12 CO 0.07 0.21 0.37 1.96 -1.00 0.00 0.00 179.01 180.62 2q81 h GLN 13 N 0.32 1.17 -0.50 2.33 1.08 -1.05 -0.78 115.11 117.68 2q81 h GLN 13 Ca 0.24 -0.18 -0.10 0.00 -1.45 0.00 0.00 58.65 57.16 2q81 h GLN 13 Cb 0.27 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 2q81 h GLN 13 CO -0.26 0.91 -0.08 -0.07 -0.95 0.00 0.00 178.83 178.38 2q81 h LEU 14 N 1.15 0.89 -0.39 1.46 3.38 -0.52 -0.63 115.31 120.66 2q81 h LEU 14 Ca 0.27 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2q81 h LEU 14 Cb 0.14 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2q81 h LEU 14 CO -0.03 1.00 0.06 -1.13 0.09 0.00 0.00 178.44 178.42 2q81 h ASN 15 N 0.82 0.63 -0.90 -0.43 -1.24 -0.61 -2.63 115.58 111.22 2q81 h ASN 15 Ca 0.14 -0.27 0.03 0.00 0.71 0.00 0.00 56.30 56.92 2q81 h ASN 15 Cb 0.60 -0.17 -0.05 0.00 0.73 0.00 0.00 38.32 39.43 2q81 h ASN 15 CO 0.04 0.73 0.59 1.56 -1.29 0.00 0.00 177.43 179.06 2q81 h GLN 16 N 0.49 1.10 -0.82 6.67 4.20 -0.85 -2.45 115.11 123.45 2q81 h GLN 16 Ca 0.12 -0.07 0.06 0.00 0.06 0.00 0.00 58.65 58.82 2q81 h GLN 16 Cb 0.38 -0.25 -0.05 0.00 0.30 0.00 0.00 27.48 27.86 2q81 h GLN 16 CO 0.01 0.73 0.54 1.96 -0.67 0.00 0.00 178.83 181.40 2q81 h GLN 17 N 1.14 0.91 -0.43 1.46 4.20 -0.96 -1.99 115.11 119.44 2q81 h GLN 17 Ca 0.36 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 59.00 2q81 h GLN 17 Cb -0.00 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 2q81 h GLN 17 CO -0.12 0.60 0.19 -0.09 -0.67 0.00 0.00 178.83 178.74 2q81 h ARG 18 N 0.94 0.59 -0.26 1.46 2.43 -1.07 0.29 114.38 118.77 2q81 h ARG 18 Ca 0.35 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 2q81 h ARG 18 Cb 0.17 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2q81 h ARG 18 CO -0.12 0.48 0.17 1.96 -1.51 0.00 0.00 179.97 180.95 2q81 h GLN 19 N 0.60 0.34 0.00 0.20 4.20 -1.20 -2.97 115.11 116.28 2q81 h GLN 19 Ca 0.15 -0.02 -0.19 0.00 0.06 0.00 0.00 58.65 58.64 2q81 h GLN 19 Cb 0.09 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 2q81 h GLN 19 CO -0.02 0.23 -1.01 -0.07 -0.67 0.00 0.00 178.83 177.29 2q81 h LEU 20 N 0.35 0.00 0.00 1.46 4.07 -1.59 -3.48 115.31 116.12 2q81 h LEU 20 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.06 2q81 h LEU 20 Cb -0.04 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.70 2q81 h LEU 20 CO -0.02 0.86 0.00 0.61 -1.08 0.00 0.00 178.44 178.81 2q81 n GLY 21 N 1.35 3.03 0.22 0.83 0.00 0.09 -4.93 105.19 105.79 2q81 n GLY 21 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 2q81 n GLY 21 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2q81 h LEU 22 N 0.00 0.63 -1.61 0.99 3.38 -1.90 -2.59 115.31 114.20 2q81 h LEU 22 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2q81 h LEU 22 Cb 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2q81 h LEU 22 CO 0.00 0.52 0.00 0.18 0.09 0.00 0.00 178.44 179.23 2q81 n LEU 23 N -4.67 2.39 -4.83 1.67 4.77 -1.26 -4.87 117.00 110.20 2q81 n LEU 23 Ca 0.02 -1.06 -0.29 0.00 -0.03 0.00 0.00 56.01 54.65 2q81 n LEU 23 Cb 0.07 -0.20 0.10 0.00 -2.33 0.00 0.00 43.42 41.05 2q81 n LEU 23 CO 0.36 0.53 0.74 0.00 -1.33 0.00 0.00 177.39 177.68 2q81 n ASP 25 N -3.43 0.19 -3.73 0.00 5.68 0.00 -4.96 116.55 110.29 2q81 n ASP 25 Ca 0.07 -1.06 -0.18 0.00 -0.50 0.00 0.00 54.79 53.12 2q81 n ASP 25 Cb 0.58 0.00 -0.17 0.00 -1.14 0.00 0.00 41.12 40.39 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 1.60 3.26 -0.16 0.00 2.01 -1.26 -0.84 115.64 120.25 2q81 s THR 27 Ca -0.02 -0.55 -0.16 0.00 0.31 0.00 0.00 61.69 61.27 2q81 s THR 27 Cb -0.13 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.90 2q81 s THR 27 CO -0.03 0.46 0.39 -0.36 -0.69 0.00 0.00 174.62 174.40 2q81 s PHE 28 N 1.09 3.44 -0.30 4.92 0.08 0.36 -4.94 117.98 122.64 2q81 s PHE 28 Ca 0.01 0.70 -0.07 0.00 0.12 0.00 0.00 56.93 57.69 2q81 s PHE 28 Cb -0.15 -2.48 0.01 0.00 -0.57 0.00 0.00 43.02 39.83 2q81 s PHE 28 CO -0.01 0.12 0.08 0.08 -0.10 0.00 0.00 175.22 175.39 2q81 s VAL 29 N 0.84 3.92 -0.13 -0.44 1.01 -1.26 -1.20 120.40 123.14 2q81 s VAL 29 Ca 0.21 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 2q81 s VAL 29 Cb -0.14 -3.04 0.06 0.00 0.00 0.00 0.00 36.38 33.25 2q81 s VAL 29 CO 0.07 0.05 0.29 0.54 0.00 0.00 0.00 175.10 176.06 2q81 s VAL 30 N 1.49 -0.25 -1.57 2.92 0.11 -0.41 -4.87 120.40 117.82 2q81 s VAL 30 Ca 0.02 0.20 -0.15 0.00 -2.93 0.00 0.00 61.98 59.12 2q81 s VAL 30 Cb -0.17 -0.46 0.10 0.00 -1.53 0.00 0.00 36.38 34.31 2q81 s VAL 30 CO 0.02 0.08 0.95 0.47 -3.33 0.00 0.00 175.10 173.29 2q81 n ASP 31 N 4.80 -4.52 0.00 3.54 8.00 -1.26 -1.40 116.55 125.71 2q81 n ASP 31 Ca -0.16 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.52 2q81 n ASP 31 Cb 0.52 -3.68 0.00 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 -1.64 1.60 3.71 0.44 0.00 -1.26 -5.00 105.19 103.04 2q81 n GLY 32 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 2q81 n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2q81 s VAL 33 N -3.70 4.52 -0.22 1.61 1.01 -0.49 -5.10 120.40 118.03 2q81 s VAL 33 Ca 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 2q81 s VAL 33 Cb 0.00 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 2q81 s VAL 33 CO 0.00 0.60 0.10 -1.00 0.00 0.00 0.00 175.10 174.80 2q81 s HIS 34 N -0.85 3.22 -0.14 5.22 3.76 -1.26 -1.29 115.29 123.95 2q81 s HIS 34 Ca 0.13 0.00 0.01 0.00 -0.15 0.00 0.00 55.06 55.05 2q81 s HIS 34 Cb -0.11 -2.18 -0.01 0.00 1.11 0.00 0.00 32.58 31.39 2q81 s HIS 34 CO 0.03 -0.01 -0.16 -0.06 -0.85 0.00 0.00 174.74 173.69 2q81 s PHE 35 N 0.92 2.76 -0.02 1.40 0.08 -0.34 -4.97 117.98 117.81 2q81 s PHE 35 Ca 0.05 -0.93 -0.00 0.00 0.12 0.00 0.00 56.93 56.17 2q81 s PHE 35 Cb -0.14 -1.86 -0.04 0.00 -0.57 0.00 0.00 43.02 40.42 2q81 s PHE 35 CO 0.03 -0.39 0.04 0.15 -0.10 0.00 0.00 175.22 174.94 2q81 s LYS 36 N 0.63 2.95 0.33 0.44 1.02 -1.26 -0.49 119.74 123.37 2q81 s LYS 36 Ca -0.08 -0.51 -0.12 0.00 0.02 0.00 0.00 55.97 55.28 2q81 s LYS 36 Cb -0.16 -2.78 0.05 0.00 -0.52 0.00 0.00 37.83 34.42 2q81 s LYS 36 CO 0.03 0.65 0.65 0.00 -0.92 0.00 0.00 175.35 175.76 2q81 n ALA 37 N 1.48 -1.42 -3.14 5.17 0.00 -0.02 -4.93 120.51 117.65 2q81 n ALA 37 Ca -0.15 -1.07 -0.35 0.00 0.00 0.00 0.00 53.44 51.87 2q81 n ALA 37 Cb 0.53 0.85 -0.13 0.00 0.00 0.00 0.00 19.45 20.70 2q81 n ALA 37 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2q81 s HIS 38 N -3.31 3.03 0.34 0.00 3.76 -1.26 -0.82 115.29 117.03 2q81 s HIS 38 Ca 0.14 -0.51 0.07 0.00 -0.15 0.00 0.00 55.06 54.61 2q81 s HIS 38 Cb -0.04 -2.08 0.76 0.00 1.11 0.00 0.00 32.58 32.33 2q81 s HIS 38 CO 0.10 -0.27 1.87 0.87 -0.85 0.00 0.00 174.74 176.46 2q81 h LYS 39 N 7.55 0.73 -0.75 1.40 1.57 -1.92 -2.14 116.57 123.01 2q81 h LYS 39 Ca -0.36 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 2q81 h LYS 39 Cb 1.18 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 33.29 2q81 h LYS 39 CO 0.61 0.49 0.44 0.00 -0.57 0.00 0.00 179.45 180.42 2q81 h ALA 40 N 1.59 0.95 -0.19 3.86 0.00 -1.98 0.43 119.26 123.91 2q81 h ALA 40 Ca 0.45 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 2q81 h ALA 40 Cb 0.64 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2q81 h ALA 40 CO -0.21 0.43 -0.20 0.28 0.00 0.00 0.00 179.25 179.56 2q81 h VAL 41 N 1.02 1.33 -0.66 0.00 2.07 -1.85 -1.66 116.25 116.51 2q81 h VAL 41 Ca 0.27 -1.36 0.06 0.00 0.82 0.00 0.00 66.70 66.48 2q81 h VAL 41 Cb -0.02 1.78 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 2q81 h VAL 41 CO -0.05 0.41 0.36 -0.07 0.02 0.00 0.00 177.57 178.25 2q81 h LEU 42 N 0.14 0.53 -1.04 2.57 4.07 -1.18 -1.50 115.31 118.89 2q81 h LEU 42 Ca 0.03 0.03 -0.10 0.00 0.08 0.00 0.00 57.88 57.93 2q81 h LEU 42 Cb 0.74 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.40 2q81 h LEU 42 CO 0.05 0.34 -0.40 0.00 -1.08 0.00 0.00 178.44 177.35 2q81 h ALA 43 N 1.35 1.20 -0.01 1.53 0.00 -0.87 -0.90 119.26 121.56 2q81 h ALA 43 Ca 0.30 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2q81 h ALA 43 Cb 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2q81 h ALA 43 CO -0.19 0.55 -0.38 0.00 0.00 0.00 0.00 179.25 179.24 2q81 h ALA 44 N 1.46 1.35 0.00 0.00 0.00 -0.33 -3.31 119.26 118.44 2q81 h ALA 44 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2q81 h ALA 44 Cb 0.77 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2q81 h ALA 44 CO 0.06 0.48 -1.39 0.00 0.00 0.00 0.00 179.25 178.40 2q81 s SER 46 N -3.37 0.89 0.29 0.00 0.15 -0.37 -4.93 113.70 106.35 2q81 s SER 46 Ca -0.02 -0.02 -0.01 0.00 0.70 0.00 0.00 55.95 56.60 2q81 s SER 46 Cb 0.11 -0.27 0.42 0.00 -1.71 0.00 0.00 66.02 64.57 2q81 s SER 46 CO 0.65 -0.15 1.85 -0.33 1.20 0.00 0.00 173.24 176.46 2q81 h GLU 47 N 7.78 0.85 0.14 5.44 4.39 -1.75 -2.30 114.58 129.12 2q81 h GLU 47 Ca -0.30 -0.15 0.01 0.00 0.34 0.00 0.00 59.36 59.25 2q81 h GLU 47 Cb 1.13 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.63 2q81 h GLU 47 CO 0.35 0.73 -0.15 -0.92 -1.16 0.00 0.00 179.01 177.86 2q81 h TYR 48 N 0.83 -0.38 -1.00 4.33 3.20 -1.85 -2.42 116.97 119.69 2q81 h TYR 48 Ca 0.19 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.07 2q81 h TYR 48 Cb 0.23 0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.60 2q81 h TYR 48 CO 0.01 -0.22 0.65 0.74 -1.64 0.00 0.00 178.16 177.71 2q81 h PHE 49 N -0.31 1.26 0.34 -3.82 0.04 -1.80 0.70 116.94 113.35 2q81 h PHE 49 Ca 0.01 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 2q81 h PHE 49 Cb 0.30 -0.43 -0.03 0.00 2.20 0.00 0.00 35.95 38.00 2q81 h PHE 49 CO -0.14 0.80 -0.46 -0.22 -0.60 0.00 0.00 178.31 177.69 2q81 h LYS 50 N 1.35 -0.82 -0.87 1.51 3.64 -1.31 0.52 116.57 120.60 2q81 h LYS 50 Ca 0.36 0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.82 2q81 h LYS 50 Cb -0.15 0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 31.81 2q81 h LYS 50 CO -0.08 -0.54 0.57 0.52 -2.27 0.00 0.00 179.45 177.65 2q81 h MET 51 N -0.85 1.11 0.36 1.90 2.86 -1.16 -0.39 114.93 118.76 2q81 h MET 51 Ca -0.03 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2q81 h MET 51 Cb 0.78 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 32.16 2q81 h MET 51 CO -0.13 0.74 -0.40 1.25 1.06 0.00 0.00 176.91 179.43 2q81 h LEU 52 N 1.15 -1.09 -0.71 1.22 5.85 -0.60 0.12 115.31 121.25 2q81 h LEU 52 Ca 0.33 0.10 -0.14 0.00 0.84 0.00 0.00 57.88 59.01 2q81 h LEU 52 Cb -0.09 0.37 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2q81 h LEU 52 CO -0.08 -0.53 -0.64 -0.26 -0.34 0.00 0.00 178.44 176.59 2q81 h PHE 53 N -0.79 0.04 0.03 1.25 0.04 -0.65 -1.52 116.94 115.35 2q81 h PHE 53 Ca -0.03 -0.02 -0.25 0.00 2.80 0.00 0.00 57.97 60.48 2q81 h PHE 53 Cb 0.71 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.83 2q81 h PHE 53 CO -0.24 0.66 -1.34 0.28 -0.60 0.00 0.00 178.31 177.07 2q81 h VAL 54 N 0.02 0.91 -0.11 -0.55 2.07 -1.11 -3.42 116.25 114.07 2q81 h VAL 54 Ca -0.01 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 65.28 2q81 h VAL 54 Cb 1.13 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 33.26 2q81 h VAL 54 CO 0.08 0.45 0.00 0.47 0.02 0.00 0.00 177.57 178.60 2q81 n ASP 55 N -4.24 2.21 -2.80 0.57 8.00 0.36 -4.98 116.55 115.67 2q81 n ASP 55 Ca -0.31 -1.61 -0.22 0.00 0.71 0.00 0.00 54.79 53.36 2q81 n ASP 55 Cb 0.75 -0.07 0.02 0.00 -0.02 0.00 0.00 41.12 41.80 2q81 n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2q81 n GLN 56 N 0.59 -3.61 -3.18 -1.24 1.13 -0.57 -4.96 117.38 105.55 2q81 n GLN 56 Ca 0.08 0.92 -0.39 0.00 -1.94 0.00 0.00 57.00 55.67 2q81 n GLN 56 Cb 0.32 -5.70 -0.06 0.00 0.11 0.00 0.00 30.24 24.92 2q81 n GLN 56 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2q81 s LYS 57 N -5.46 4.34 -1.27 -1.09 1.02 -1.11 -4.35 119.74 111.82 2q81 s LYS 57 Ca 0.19 0.78 -0.13 0.00 0.02 0.00 0.00 55.97 56.82 2q81 s LYS 57 Cb -0.09 -3.34 0.00 0.00 -0.52 0.00 0.00 37.83 33.88 2q81 s LYS 57 CO 0.23 0.36 0.61 -0.25 -0.92 0.00 0.00 175.35 175.38 2q81 n ASP 58 N 2.72 -2.95 -0.34 2.83 8.00 -1.26 -4.08 116.55 121.48 2q81 n ASP 58 Ca -0.06 -1.05 -0.03 0.00 0.71 0.00 0.00 54.79 54.36 2q81 n ASP 58 Cb 0.51 -3.01 0.11 0.00 -0.02 0.00 0.00 41.12 38.72 2q81 n ASP 58 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2q81 h VAL 59 N -1.96 1.25 -0.22 2.53 2.07 -1.97 -2.59 116.25 115.36 2q81 h VAL 59 Ca -0.66 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 66.34 2q81 h VAL 59 Cb 1.37 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2q81 h VAL 59 CO 0.55 0.27 0.15 0.58 0.02 0.00 0.00 177.57 179.14 2q81 h VAL 60 N 1.27 0.94 -0.60 2.57 2.07 -1.96 -2.89 116.25 117.65 2q81 h VAL 60 Ca 0.33 -0.03 0.17 0.00 0.82 0.00 0.00 66.70 67.99 2q81 h VAL 60 Cb -0.04 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2q81 h VAL 60 CO -0.06 0.02 0.44 0.45 0.02 0.00 0.00 177.57 178.44 2q81 h HIS 61 N 0.10 0.00 0.00 1.57 3.86 -1.84 -0.77 115.15 118.07 2q81 h HIS 61 Ca 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2q81 h HIS 61 Cb 0.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.74 2q81 h HIS 61 CO -0.00 0.00 0.18 -0.07 0.86 0.00 0.00 177.93 178.90 2q81 h LEU 62 N 0.00 0.00 -2.15 2.43 3.38 -1.70 -2.71 115.31 114.56 2q81 h LEU 62 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2q81 h LEU 62 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2q81 h LEU 62 CO -0.00 0.00 0.20 -0.78 0.09 0.00 0.00 178.44 177.95 2q81 h ASP 63 N 0.00 0.00 -0.11 -0.43 1.82 -1.38 -1.76 116.42 114.56 2q81 h ASP 63 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2q81 h ASP 63 Cb 0.35 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.36 2q81 h ASP 63 CO 0.00 0.00 0.00 -0.38 -1.61 0.00 0.00 179.24 177.25 2q81 n ILE 64 N -2.81 0.13 -2.34 2.25 5.41 -1.02 -4.93 119.36 116.04 2q81 n ILE 64 Ca -0.02 -0.42 -0.38 0.00 1.00 0.00 0.00 62.75 62.93 2q81 n ILE 64 Cb 0.25 0.82 -0.02 0.00 -0.71 0.00 0.00 39.64 39.97 2q81 n ILE 64 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2q81 s SER 65 N -1.82 6.55 0.09 4.38 0.01 -0.66 -4.62 113.70 117.61 2q81 s SER 65 Ca 0.34 2.28 0.01 0.00 1.31 0.00 0.00 55.95 59.89 2q81 s SER 65 Cb 0.20 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.78 2q81 s SER 65 CO 0.31 -0.65 -0.06 0.54 0.41 0.00 0.00 173.24 173.78 2q81 s ASN 66 N -1.24 1.00 0.09 2.44 2.20 -1.26 -4.99 114.94 113.18 2q81 s ASN 66 Ca 0.58 -0.97 -0.22 0.00 -0.94 0.00 0.00 52.86 51.30 2q81 s ASN 66 Cb -0.29 0.11 -0.13 0.00 -2.00 0.00 0.00 41.25 38.94 2q81 s ASN 66 CO 0.36 -0.47 1.72 0.00 -2.94 0.00 0.00 177.10 175.76 2q81 h ALA 67 N 3.11 0.07 0.00 3.54 0.00 -1.95 -2.10 119.26 121.94 2q81 h ALA 67 Ca -0.35 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.56 2q81 h ALA 67 Cb 1.16 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 2q81 h ALA 67 CO 0.63 -0.41 -0.12 0.00 0.00 0.00 0.00 179.25 179.35 2q81 h ALA 68 N 0.98 -0.14 -0.09 0.00 0.00 -1.95 -2.32 119.26 115.74 2q81 h ALA 68 Ca 0.02 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2q81 h ALA 68 Cb 0.03 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2q81 h ALA 68 CO -0.00 -0.62 0.01 0.78 0.00 0.00 0.00 179.25 179.42 2q81 h GLY 69 N -0.21 0.17 0.80 0.00 0.00 -1.75 -2.93 103.07 99.15 2q81 h GLY 69 Ca 0.04 -0.12 0.04 0.00 0.00 0.00 0.00 47.33 47.30 2q81 h GLY 69 CO -0.12 0.11 0.48 -2.00 0.00 0.00 0.00 176.54 175.01 2q81 h LEU 70 N -0.10 0.77 -0.60 3.11 5.85 -1.38 -1.50 115.31 121.46 2q81 h LEU 70 Ca 0.03 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.85 2q81 h LEU 70 Cb 0.32 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.12 2q81 h LEU 70 CO 0.00 0.51 0.20 1.23 -0.34 0.00 0.00 178.44 180.05 2q81 h GLY 71 N 0.91 0.83 1.00 3.75 0.00 -1.37 -1.26 103.07 106.93 2q81 h GLY 71 Ca 0.32 -0.10 -0.13 0.00 0.00 0.00 0.00 47.33 47.43 2q81 h GLY 71 CO -0.14 -0.04 -0.29 1.46 0.00 0.00 0.00 176.54 177.53 2q81 h GLN 72 N 0.37 0.76 -0.81 4.80 1.08 -1.19 -1.91 115.11 118.21 2q81 h GLN 72 Ca 0.31 -0.39 0.01 0.00 -1.45 0.00 0.00 58.65 57.12 2q81 h GLN 72 Cb 0.40 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.80 2q81 h GLN 72 CO -0.33 1.01 0.53 0.28 -0.95 0.00 0.00 178.83 179.37 2q81 h VAL 73 N 0.53 1.21 -0.52 -0.54 2.07 -1.09 -1.78 116.25 116.13 2q81 h VAL 73 Ca 0.05 -0.40 -0.10 0.00 0.82 0.00 0.00 66.70 67.07 2q81 h VAL 73 Cb 0.86 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 2q81 h VAL 73 CO 0.07 0.21 -0.07 -0.07 0.02 0.00 0.00 177.57 177.73 2q81 h LEU 74 N 1.10 0.96 -0.38 2.57 3.38 -1.16 -2.11 115.31 119.68 2q81 h LEU 74 Ca 0.29 -0.34 0.07 0.00 0.09 0.00 0.00 57.88 58.00 2q81 h LEU 74 Cb -0.11 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.32 2q81 h LEU 74 CO -0.06 1.07 0.01 -0.33 0.09 0.00 0.00 178.44 179.22 2q81 h GLU 75 N 0.84 0.11 -0.15 1.13 4.39 -1.05 -2.48 114.58 117.36 2q81 h GLU 75 Ca 0.14 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.87 2q81 h GLU 75 Cb 0.62 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 2q81 h GLU 75 CO 0.04 0.07 -0.08 0.35 -1.16 0.00 0.00 179.01 178.23 2q81 h PHE 76 N 0.11 -0.19 -0.93 4.33 3.57 -1.16 0.85 116.94 123.52 2q81 h PHE 76 Ca 0.19 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.82 2q81 h PHE 76 Cb 0.26 0.11 -0.07 0.00 2.79 0.00 0.00 35.95 39.04 2q81 h PHE 76 CO -0.25 -0.13 0.59 0.52 -2.23 0.00 0.00 178.31 176.81 2q81 h MET 77 N -0.07 0.86 0.00 1.11 2.86 -1.07 0.28 114.93 118.89 2q81 h MET 77 Ca 0.09 -0.05 -0.26 0.00 -2.06 0.00 0.00 59.70 57.42 2q81 h MET 77 Cb 0.20 -0.19 -0.05 0.00 0.06 0.00 0.00 31.60 31.62 2q81 h MET 77 CO -0.20 0.57 -1.84 0.66 1.06 0.00 0.00 176.91 177.16 2q81 n TYR 78 N -4.56 0.65 0.00 -0.22 4.02 -0.96 -4.58 117.16 111.51 2q81 n TYR 78 Ca 0.17 0.23 0.00 0.00 -0.01 0.00 0.00 57.90 58.28 2q81 n TYR 78 Cb 0.35 -1.06 0.00 0.00 -0.02 0.00 0.00 39.34 38.61 2q81 n TYR 78 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2q81 n THR 79 N -2.87 0.00 -1.23 -0.72 -2.24 0.27 -4.81 114.28 102.68 2q81 n THR 79 Ca -0.19 -0.39 -0.08 0.00 -2.27 0.00 0.00 64.05 61.12 2q81 n THR 79 Cb 0.99 0.90 -0.03 0.00 -2.10 0.00 0.00 70.33 70.08 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 -1.10 -0.12 -2.50 6.98 0.00 0.99 -5.00 120.51 119.76 2q81 n ALA 80 Ca 0.00 0.13 -0.25 0.00 0.00 0.00 0.00 53.44 53.32 2q81 n ALA 80 Cb 0.00 -1.22 -0.15 0.00 0.00 0.00 0.00 19.45 18.08 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 -2.40 1.38 0.14 0.00 1.02 -1.26 -4.97 119.74 113.66 2q81 s LYS 81 Ca 0.00 -0.80 0.09 0.00 0.02 0.00 0.00 55.97 55.28 2q81 s LYS 81 Cb 0.00 -1.41 -0.04 0.00 -0.52 0.00 0.00 37.83 35.86 2q81 s LYS 81 CO 0.00 0.37 -0.14 -0.51 -0.92 0.00 0.00 175.35 174.16 2q81 s LEU 82 N -0.86 2.86 -0.60 3.17 1.43 -1.26 -2.97 118.68 120.45 2q81 s LEU 82 Ca 0.07 -0.55 0.06 0.00 -1.03 0.00 0.00 54.13 52.67 2q81 s LEU 82 Cb -0.08 -1.62 0.29 0.00 0.03 0.00 0.00 46.19 44.81 2q81 s LEU 82 CO 0.01 0.14 0.82 -0.24 0.23 0.00 0.00 176.35 177.31 2q81 n SER 83 N 0.44 3.79 -4.68 2.29 2.88 -1.26 -5.07 113.62 112.00 2q81 n SER 83 Ca -0.13 -3.49 -0.42 0.00 -1.33 0.00 0.00 58.87 53.50 2q81 n SER 83 Cb 0.54 -0.62 -0.03 0.00 -0.75 0.00 0.00 64.21 63.34 2q81 n SER 83 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2q81 s LEU 84 N -2.81 4.23 0.06 2.46 1.43 -1.26 -5.02 118.68 117.77 2q81 s LEU 84 Ca 0.43 1.38 0.04 0.00 -1.03 0.00 0.00 54.13 54.95 2q81 s LEU 84 Cb 0.21 -3.41 -0.03 0.00 0.03 0.00 0.00 46.19 42.99 2q81 s LEU 84 CO -0.07 -0.40 -0.11 -0.94 0.23 0.00 0.00 176.35 175.06 2q81 s SER 85 N 1.09 1.23 0.26 2.29 1.04 -1.26 -5.02 113.70 113.34 2q81 s SER 85 Ca 0.44 -0.58 0.14 0.00 0.48 0.00 0.00 55.95 56.43 2q81 s SER 85 Cb -0.18 -0.00 0.92 0.00 0.10 0.00 0.00 66.02 66.86 2q81 s SER 85 CO 0.16 -0.14 1.12 -2.65 0.98 0.00 0.00 173.24 172.71 2q81 n PRO 86 N 1.38 -0.04 0.10 4.02 -0.02 -1.26 -0.48 135.00 138.70 2q81 n PRO 86 Ca -0.22 0.98 -0.01 0.00 -2.02 0.00 0.00 63.50 62.24 2q81 n PRO 86 Cb 0.54 -1.75 0.27 0.00 -0.02 0.00 0.00 33.50 32.54 2q81 n PRO 86 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2q81 h GLU 87 N 0.00 0.25 -0.01 -0.52 3.07 -2.00 -3.29 114.58 112.08 2q81 h GLU 87 Ca 0.59 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 2q81 h GLU 87 Cb 1.54 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.44 2q81 h GLU 87 CO -0.56 0.56 -0.37 0.27 -1.40 0.00 0.00 179.01 177.51 2q81 n ASN 88 N -4.09 1.13 -0.36 1.42 0.23 0.37 -4.66 115.26 109.30 2q81 n ASN 88 Ca -0.01 -1.06 0.03 0.00 -0.53 0.00 0.00 54.58 53.00 2q81 n ASN 88 Cb 0.42 0.65 0.19 0.00 -2.08 0.00 0.00 39.78 38.96 2q81 n ASN 88 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 2q81 h VAL 89 N 0.96 1.08 -0.03 3.53 2.07 -1.56 -1.44 116.25 120.85 2q81 h VAL 89 Ca 0.00 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 2q81 h VAL 89 Cb 0.39 -0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 29.99 2q81 h VAL 89 CO 0.00 0.21 0.01 0.44 0.02 0.00 0.00 177.57 178.25 2q81 h ASP 90 N 1.15 0.04 -0.66 0.57 5.19 -1.83 -1.97 116.42 118.91 2q81 h ASP 90 Ca 0.43 -0.21 0.03 0.00 -0.62 0.00 0.00 57.03 56.66 2q81 h ASP 90 Cb 0.18 -0.01 -0.04 0.00 0.18 0.00 0.00 39.33 39.63 2q81 h ASP 90 CO -0.17 0.24 0.41 0.44 -3.12 0.00 0.00 179.24 177.03 2q81 h ASP 91 N -0.15 0.66 0.27 6.45 3.32 -1.77 -2.32 116.42 122.87 2q81 h ASP 91 Ca 0.01 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 2q81 h ASP 91 Cb 0.21 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2q81 h ASP 91 CO -0.00 0.45 -0.27 0.58 -1.72 0.00 0.00 179.24 178.28 2q81 h VAL 92 N 0.79 1.18 -0.14 -1.35 2.07 -1.18 -2.67 116.25 114.95 2q81 h VAL 92 Ca 0.27 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 2q81 h VAL 92 Cb 0.05 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2q81 h VAL 92 CO -0.12 0.26 -0.15 0.25 0.02 0.00 0.00 177.57 177.84 2q81 h LEU 93 N 0.00 0.38 -0.74 2.57 5.85 -0.81 0.01 115.31 122.56 2q81 h LEU 93 Ca -0.00 -0.48 -0.07 0.00 0.84 0.00 0.00 57.88 58.17 2q81 h LEU 93 Cb 0.47 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 2q81 h LEU 93 CO 0.03 0.78 0.17 0.00 -0.34 0.00 0.00 178.44 179.09 2q81 h ALA 94 N 0.61 0.97 -0.13 1.25 0.00 -1.36 -1.76 119.26 118.84 2q81 h ALA 94 Ca 0.02 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2q81 h ALA 94 Cb 0.68 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2q81 h ALA 94 CO 0.04 0.67 -0.33 0.28 0.00 0.00 0.00 179.25 179.90 2q81 h VAL 95 N 1.07 1.37 0.00 0.00 2.07 -1.52 -3.30 116.25 115.94 2q81 h VAL 95 Ca 0.22 -1.63 -0.05 0.00 0.82 0.00 0.00 66.70 66.07 2q81 h VAL 95 Cb 0.37 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 2q81 h VAL 95 CO 0.00 0.48 -0.23 0.00 0.02 0.00 0.00 177.57 177.85 2q81 h ALA 96 N 0.52 1.61 0.22 1.67 0.00 -0.89 -3.19 119.26 119.20 2q81 h ALA 96 Ca -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2q81 h ALA 96 Cb 0.94 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2q81 h ALA 96 CO 0.07 0.29 -0.10 1.15 0.00 0.00 0.00 179.25 180.65 2q81 h THR 97 N 0.00 0.00 0.00 0.00 2.02 -1.39 -3.05 112.91 110.49 2q81 h THR 97 Ca -0.00 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 2q81 h THR 97 Cb 0.41 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.82 2q81 h THR 97 CO 0.03 0.00 -0.05 2.19 0.37 0.00 0.00 175.52 178.06 2q81 h PHE 98 N -0.32 0.00 0.00 3.16 -5.15 -1.66 0.12 116.94 113.09 2q81 h PHE 98 Ca -0.03 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.74 2q81 h PHE 98 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.39 2q81 h PHE 98 CO 0.16 0.05 0.00 1.28 -2.00 0.00 0.00 178.31 177.80 2q81 n LEU 99 N -3.32 0.00 -3.25 2.10 4.77 -1.20 -4.73 117.00 111.35 2q81 n LEU 99 Ca -0.02 0.18 -0.10 0.00 -0.03 0.00 0.00 56.01 56.04 2q81 n LEU 99 Cb 0.20 -0.18 0.02 0.00 -2.33 0.00 0.00 43.42 41.14 2q81 n LEU 99 CO 0.26 -0.03 0.16 0.00 -1.33 0.00 0.00 177.39 176.45 2q81 n GLN 100 N -1.18 -1.55 -3.67 3.23 6.02 0.43 -3.60 117.38 117.07 2q81 n GLN 100 Ca 0.15 1.15 -0.29 0.00 -0.01 0.00 0.00 57.00 58.00 2q81 n GLN 100 Cb 0.15 -5.22 -0.15 0.00 1.02 0.00 0.00 30.24 26.05 2q81 n GLN 100 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2q81 s MET 101 N -3.87 0.53 0.13 -1.09 -1.94 -1.15 -4.31 119.30 107.59 2q81 s MET 101 Ca 0.16 -0.83 -0.13 0.00 -1.71 0.00 0.00 55.69 53.18 2q81 s MET 101 Cb -0.03 -1.73 -0.03 0.00 2.01 0.00 0.00 34.83 35.04 2q81 s MET 101 CO 0.78 -0.96 1.51 1.96 -0.01 0.00 0.00 175.02 178.29 2q81 h GLN 102 N 8.21 0.79 -0.34 2.03 1.08 -1.96 -3.16 115.11 121.77 2q81 h GLN 102 Ca -0.16 -0.33 0.08 0.00 -1.45 0.00 0.00 58.65 56.78 2q81 h GLN 102 Cb 1.02 -0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 28.34 2q81 h GLN 102 CO 0.45 0.96 -0.24 -0.44 -0.95 0.00 0.00 178.83 178.60 2q81 h ASP 103 N 0.60 -0.81 -0.49 1.46 3.32 -1.98 -1.64 116.42 116.88 2q81 h ASP 103 Ca 0.09 0.16 -0.11 0.00 0.02 0.00 0.00 57.03 57.19 2q81 h ASP 103 Cb 0.70 0.40 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 2q81 h ASP 103 CO 0.05 -0.27 -0.11 0.40 -1.72 0.00 0.00 179.24 177.59 2q81 h ILE 104 N -0.20 1.27 -0.17 0.35 2.04 -1.96 -0.30 117.51 118.54 2q81 h ILE 104 Ca 0.17 -1.26 0.04 0.00 1.00 0.00 0.00 64.86 64.81 2q81 h ILE 104 Cb 0.47 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 2q81 h ILE 104 CO -0.46 0.44 -0.06 0.40 0.00 0.00 0.00 178.15 178.47 2q81 h ILE 105 N 0.87 0.78 -0.44 -0.67 2.04 -1.40 0.27 117.51 118.96 2q81 h ILE 105 Ca 0.14 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.89 2q81 h ILE 105 Cb 0.67 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 2q81 h ILE 105 CO 0.05 0.00 -0.16 0.74 0.00 0.00 0.00 178.15 178.77 2q81 h THR 106 N -0.03 1.27 -0.98 -0.27 2.02 -1.24 -2.80 112.91 110.88 2q81 h THR 106 Ca 0.09 -1.27 0.02 0.00 0.77 0.00 0.00 66.41 66.01 2q81 h THR 106 Cb 0.16 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 2q81 h THR 106 CO -0.19 0.43 0.65 0.00 0.37 0.00 0.00 175.52 176.78 2q81 h ALA 107 N 1.07 1.32 -0.50 6.16 0.00 -0.61 0.28 119.26 126.99 2q81 h ALA 107 Ca 0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2q81 h ALA 107 Cb 0.68 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2q81 h ALA 107 CO 0.05 0.62 0.17 0.00 0.00 0.00 0.00 179.25 180.09 2q81 h HIS 109 N 0.67 0.00 0.00 0.00 3.86 -1.16 0.36 115.15 118.88 2q81 h HIS 109 Ca 0.16 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2q81 h HIS 109 Cb 0.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.71 2q81 h HIS 109 CO 0.01 0.34 0.00 0.00 0.86 0.00 0.00 177.93 179.14 2q81 h ALA 110 N 1.66 1.00 0.00 2.45 0.00 -0.88 -2.64 119.26 120.84 2q81 h ALA 110 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2q81 h ALA 110 Cb 0.87 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2q81 h ALA 110 CO 0.04 0.00 -1.45 1.28 0.00 0.00 0.00 179.25 179.13 2q81 n LEU 111 N -2.56 0.00 -0.07 0.00 4.77 -0.98 -3.74 117.00 114.43 2q81 n LEU 111 Ca 0.02 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.96 2q81 n LEU 111 Cb 0.29 0.07 0.19 0.00 -2.33 0.00 0.00 43.42 41.64 2q81 n LEU 111 CO 0.24 0.07 0.85 0.11 -1.33 0.00 0.00 177.39 177.33 2q81 h LYS 112 N 0.00 0.69 0.00 3.23 1.79 -0.28 -3.36 116.57 118.65 2q81 h LYS 112 Ca -0.08 -0.20 -0.32 0.00 -2.18 0.00 0.00 60.65 57.88 2q81 h LYS 112 Cb 0.79 -0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 31.32 2q81 h LYS 112 CO 0.00 0.75 -1.84 -1.13 -1.08 0.00 0.00 179.45 176.15 2q81 n SER 113 N -4.20 1.91 0.00 0.86 3.41 -1.00 -5.06 113.62 109.53 2q81 n SER 113 Ca 0.02 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.01 2q81 n SER 113 Cb 0.32 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 2q81 n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88