#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 1.03 -0.16 4.04 -0.08 -1.26 -4.74 116.55 115.38 2q81 n ASP 2 Ca 0.00 -1.89 -0.03 0.00 -1.51 0.00 0.00 54.79 51.37 2q81 n ASP 2 Cb 0.00 -0.55 0.04 0.00 2.34 0.00 0.00 41.12 42.96 2q81 n ASP 2 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2q81 h PHE 3 N -0.64 -0.22 0.02 -0.67 3.57 -2.04 0.10 116.94 117.06 2q81 h PHE 3 Ca -0.27 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.30 2q81 h PHE 3 Cb 0.99 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.85 2q81 h PHE 3 CO 0.00 -0.20 -0.39 -1.35 -2.23 0.00 0.00 178.31 174.14 2q81 h PRO 4 N 0.02 -0.54 -0.37 6.41 0.11 -1.99 0.20 132.00 135.84 2q81 h PRO 4 Ca 0.25 0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.37 2q81 h PRO 4 Cb 0.38 0.12 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 2q81 h PRO 4 CO -0.50 -0.36 0.13 1.96 -0.21 0.00 0.00 178.00 179.02 2q81 h GLN 5 N -0.56 0.57 -0.45 1.05 4.20 -1.86 -2.11 115.11 115.94 2q81 h GLN 5 Ca 0.05 -0.11 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 2q81 h GLN 5 Cb 0.63 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 2q81 h GLN 5 CO -0.29 0.57 0.05 1.25 -0.67 0.00 0.00 178.83 179.74 2q81 h HIS 6 N 0.46 0.73 -0.34 2.96 2.76 -0.62 -1.36 115.15 119.74 2q81 h HIS 6 Ca 0.12 -0.08 -0.17 0.00 -2.20 0.00 0.00 60.37 58.05 2q81 h HIS 6 Cb 0.22 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 28.97 2q81 h HIS 6 CO 0.00 0.66 -0.45 0.77 -1.30 0.00 0.00 177.93 177.61 2q81 h SER 7 N 0.68 0.98 -0.70 3.26 0.02 -0.48 -2.42 113.55 114.88 2q81 h SER 7 Ca 0.14 -0.48 -0.02 0.00 -0.84 0.00 0.00 61.79 60.60 2q81 h SER 7 Cb 0.34 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 2q81 h SER 7 CO 0.01 1.28 0.37 1.56 -1.14 0.00 0.00 176.83 178.91 2q81 h GLN 8 N 0.72 0.99 -0.12 3.45 4.20 -1.08 -1.52 115.11 121.75 2q81 h GLN 8 Ca 0.04 -0.13 0.01 0.00 0.06 0.00 0.00 58.65 58.64 2q81 h GLN 8 Cb 1.05 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 2q81 h GLN 8 CO 0.11 0.75 0.02 1.25 -0.67 0.00 0.00 178.83 180.29 2q81 h HIS 9 N 0.97 0.04 -0.31 2.96 2.76 -1.16 -1.40 115.15 119.01 2q81 h HIS 9 Ca 0.24 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.42 2q81 h HIS 9 Cb 0.06 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 2q81 h HIS 9 CO -0.00 0.01 0.18 0.28 -1.30 0.00 0.00 177.93 177.11 2q81 h VAL 10 N 0.07 1.11 -0.42 5.26 2.07 -1.22 -1.34 116.25 121.78 2q81 h VAL 10 Ca 0.05 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.24 2q81 h VAL 10 Cb 0.04 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 2q81 h VAL 10 CO -0.07 0.11 -0.01 0.25 0.02 0.00 0.00 177.57 177.87 2q81 h LEU 11 N 0.39 0.66 -0.77 2.57 5.85 -1.20 -0.69 115.31 122.12 2q81 h LEU 11 Ca 0.11 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.57 2q81 h LEU 11 Cb 0.02 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2q81 h LEU 11 CO -0.02 0.74 -0.26 -0.08 -0.34 0.00 0.00 178.44 178.48 2q81 h GLU 12 N 0.65 0.65 -0.52 1.25 4.57 -0.98 0.29 114.58 120.49 2q81 h GLU 12 Ca 0.13 -0.26 -0.02 0.00 -1.18 0.00 0.00 59.36 58.02 2q81 h GLU 12 Cb 0.43 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.96 2q81 h GLU 12 CO 0.02 0.84 0.24 1.96 -1.18 0.00 0.00 179.01 180.89 2q81 h GLN 13 N 0.56 0.76 -0.66 1.92 1.08 -0.87 0.05 115.11 117.95 2q81 h GLN 13 Ca 0.08 -0.12 -0.05 0.00 -1.45 0.00 0.00 58.65 57.10 2q81 h GLN 13 Cb 0.74 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 28.00 2q81 h GLN 13 CO 0.06 0.65 0.19 -0.07 -0.95 0.00 0.00 178.83 178.71 2q81 h LEU 14 N 0.70 0.94 -0.49 1.46 3.38 -0.82 0.15 115.31 120.64 2q81 h LEU 14 Ca 0.18 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2q81 h LEU 14 Cb 0.15 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2q81 h LEU 14 CO -0.02 0.89 0.21 -1.13 0.09 0.00 0.00 178.44 178.48 2q81 h ASN 15 N 0.97 0.67 -0.45 -0.43 -1.24 -0.74 -1.66 115.58 112.71 2q81 h ASN 15 Ca 0.21 -0.16 -0.01 0.00 0.71 0.00 0.00 56.30 57.06 2q81 h ASN 15 Cb 0.29 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.15 2q81 h ASN 15 CO -0.01 0.64 0.26 1.56 -1.29 0.00 0.00 177.43 178.60 2q81 h GLN 16 N 0.65 0.63 -0.50 6.67 4.20 -0.49 -0.67 115.11 125.61 2q81 h GLN 16 Ca 0.17 -0.07 0.10 0.00 0.06 0.00 0.00 58.65 58.91 2q81 h GLN 16 Cb 0.17 -0.13 -0.08 0.00 0.30 0.00 0.00 27.48 27.74 2q81 h GLN 16 CO -0.02 0.48 -0.00 1.96 -0.67 0.00 0.00 178.83 180.58 2q81 h GLN 17 N 0.60 0.11 -0.23 1.46 4.20 -0.85 -0.85 115.11 119.55 2q81 h GLN 17 Ca 0.16 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2q81 h GLN 17 Cb 0.03 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2q81 h GLN 17 CO -0.03 0.07 0.15 -0.09 -0.67 0.00 0.00 178.83 178.26 2q81 h ARG 18 N 0.11 0.30 -0.43 1.46 2.43 -0.98 0.19 114.38 117.46 2q81 h ARG 18 Ca 0.25 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.36 2q81 h ARG 18 Cb 0.38 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 2q81 h ARG 18 CO -0.42 0.20 0.07 1.96 -1.51 0.00 0.00 179.97 180.26 2q81 h GLN 19 N 0.31 0.66 0.00 0.20 4.20 -0.87 -2.53 115.11 117.09 2q81 h GLN 19 Ca 0.08 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2q81 h GLN 19 Cb -0.04 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.64 2q81 h GLN 19 CO -0.02 0.63 -0.30 -0.07 -0.67 0.00 0.00 178.83 178.40 2q81 h LEU 20 N 0.64 0.00 0.83 1.46 3.38 -0.95 -3.48 115.31 117.20 2q81 h LEU 20 Ca 0.14 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 2q81 h LEU 20 Cb 0.30 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2q81 h LEU 20 CO 0.00 0.04 -0.18 0.61 0.09 0.00 0.00 178.44 179.00 2q81 n GLY 21 N 1.27 0.41 3.40 0.83 0.00 0.45 -5.04 105.19 106.52 2q81 n GLY 21 Ca 0.04 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.09 2.37 -2.02 0.99 1.43 0.09 -4.62 118.68 114.84 2q81 s LEU 22 Ca 0.00 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 2q81 s LEU 22 Cb 0.00 -1.37 0.00 0.00 0.03 0.00 0.00 46.19 44.85 2q81 s LEU 22 CO 0.00 0.24 0.00 0.18 0.23 0.00 0.00 176.35 177.00 2q81 n LEU 23 N 1.50 -1.65 -4.94 1.79 4.77 -1.26 -4.32 117.00 112.89 2q81 n LEU 23 Ca -0.17 0.32 -0.24 0.00 -0.03 0.00 0.00 56.01 55.89 2q81 n LEU 23 Cb 0.52 -2.86 0.01 0.00 -2.33 0.00 0.00 43.42 38.76 2q81 n LEU 23 CO 0.25 -0.76 0.30 0.00 -1.33 0.00 0.00 177.39 175.85 2q81 n ASP 25 N -2.07 0.23 -3.85 0.00 5.68 -0.15 -4.98 116.55 111.41 2q81 n ASP 25 Ca 0.00 -0.83 -0.12 0.00 -0.50 0.00 0.00 54.79 53.34 2q81 n ASP 25 Cb 0.57 0.06 -0.13 0.00 -1.14 0.00 0.00 41.12 40.47 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 -0.01 2.04 -0.18 0.00 2.01 -1.26 -0.67 115.64 117.57 2q81 s THR 27 Ca -0.00 -1.02 -0.07 0.00 0.31 0.00 0.00 61.69 60.91 2q81 s THR 27 Cb -0.01 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 2q81 s THR 27 CO 0.00 0.56 0.05 -0.36 -0.69 0.00 0.00 174.62 174.18 2q81 s PHE 28 N 0.22 3.23 -0.28 4.92 0.08 0.08 -4.92 117.98 121.30 2q81 s PHE 28 Ca -0.15 0.03 -0.05 0.00 0.12 0.00 0.00 56.93 56.87 2q81 s PHE 28 Cb -0.17 -2.07 0.01 0.00 -0.57 0.00 0.00 43.02 40.22 2q81 s PHE 28 CO 0.08 0.13 0.05 0.08 -0.10 0.00 0.00 175.22 175.45 2q81 s VAL 29 N 0.40 3.70 -0.12 -0.44 1.01 -1.26 -0.53 120.40 123.15 2q81 s VAL 29 Ca 0.02 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 2q81 s VAL 29 Cb -0.13 -2.90 0.05 0.00 0.00 0.00 0.00 36.38 33.40 2q81 s VAL 29 CO 0.01 0.11 0.29 0.54 0.00 0.00 0.00 175.10 176.04 2q81 s VAL 30 N 1.46 -0.03 -1.29 2.92 0.11 -0.48 -4.88 120.40 118.19 2q81 s VAL 30 Ca 0.02 0.12 -0.06 0.00 -2.93 0.00 0.00 61.98 59.13 2q81 s VAL 30 Cb -0.17 -0.44 0.04 0.00 -1.53 0.00 0.00 36.38 34.28 2q81 s VAL 30 CO 0.01 0.05 0.40 0.47 -3.33 0.00 0.00 175.10 172.70 2q81 n ASP 31 N 4.13 -4.27 0.00 3.54 8.00 -1.26 -1.12 116.55 125.56 2q81 n ASP 31 Ca -0.24 -0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.02 2q81 n ASP 31 Cb 0.54 -3.53 0.00 0.00 -0.02 0.00 0.00 41.12 38.11 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 -1.17 1.48 3.77 0.44 0.00 -1.26 -4.98 105.19 103.47 2q81 n GLY 32 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.41 5.29 -0.26 1.61 1.01 -0.28 -5.09 120.40 119.29 2q81 s VAL 33 Ca 0.00 0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.00 2q81 s VAL 33 Cb 0.00 -3.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 2q81 s VAL 33 CO 0.00 0.51 0.21 -1.00 0.00 0.00 0.00 175.10 174.83 2q81 s HIS 34 N -0.18 3.28 -0.19 5.22 3.76 -1.26 -1.38 115.29 124.53 2q81 s HIS 34 Ca 0.10 0.23 -0.03 0.00 -0.15 0.00 0.00 55.06 55.21 2q81 s HIS 34 Cb -0.12 -2.36 -0.01 0.00 1.11 0.00 0.00 32.58 31.20 2q81 s HIS 34 CO 0.01 -0.06 -0.06 -0.06 -0.85 0.00 0.00 174.74 173.72 2q81 s PHE 35 N 1.45 2.94 -0.03 1.40 0.08 0.31 -4.95 117.98 119.18 2q81 s PHE 35 Ca 0.09 -0.74 -0.09 0.00 0.12 0.00 0.00 56.93 56.32 2q81 s PHE 35 Cb -0.15 -2.01 -0.05 0.00 -0.57 0.00 0.00 43.02 40.24 2q81 s PHE 35 CO 0.08 -0.36 0.27 0.15 -0.10 0.00 0.00 175.22 175.26 2q81 s LYS 36 N 0.98 3.63 0.24 0.44 1.02 -1.26 -0.74 119.74 124.05 2q81 s LYS 36 Ca -0.00 0.04 -0.08 0.00 0.02 0.00 0.00 55.97 55.94 2q81 s LYS 36 Cb -0.15 -3.14 0.03 0.00 -0.52 0.00 0.00 37.83 34.05 2q81 s LYS 36 CO 0.00 0.69 0.47 0.00 -0.92 0.00 0.00 175.35 175.60 2q81 n ALA 37 N 1.54 -1.00 -3.41 5.17 0.00 0.16 -4.91 120.51 118.06 2q81 n ALA 37 Ca -0.14 -0.81 -0.34 0.00 0.00 0.00 0.00 53.44 52.15 2q81 n ALA 37 Cb 0.53 0.65 -0.15 0.00 0.00 0.00 0.00 19.45 20.48 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 -4.66 2.84 0.29 0.00 3.76 -1.26 -0.98 115.29 115.29 2q81 s HIS 38 Ca 0.11 -0.94 -0.00 0.00 -0.15 0.00 0.00 55.06 54.08 2q81 s HIS 38 Cb -0.03 -1.94 0.50 0.00 1.11 0.00 0.00 32.58 32.22 2q81 s HIS 38 CO 0.08 -0.44 1.90 0.87 -0.85 0.00 0.00 174.74 176.30 2q81 h LYS 39 N 7.40 1.04 -0.84 1.40 1.57 -1.93 -2.51 116.57 122.69 2q81 h LYS 39 Ca -0.34 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.39 2q81 h LYS 39 Cb 1.18 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 33.22 2q81 h LYS 39 CO 0.58 0.69 0.55 0.00 -0.57 0.00 0.00 179.45 180.70 2q81 h ALA 40 N 1.50 1.07 -0.48 3.86 0.00 -1.98 -0.28 119.26 122.94 2q81 h ALA 40 Ca 0.41 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 2q81 h ALA 40 Cb 0.21 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2q81 h ALA 40 CO -0.16 0.44 -0.22 0.28 0.00 0.00 0.00 179.25 179.59 2q81 h VAL 41 N 1.11 1.27 -0.58 0.00 2.07 -1.92 -0.69 116.25 117.51 2q81 h VAL 41 Ca 0.31 -1.39 -0.06 0.00 0.82 0.00 0.00 66.70 66.39 2q81 h VAL 41 Cb -0.09 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2q81 h VAL 41 CO -0.08 0.48 0.13 -0.07 0.02 0.00 0.00 177.57 178.05 2q81 h LEU 42 N 0.86 0.89 -1.05 2.57 4.07 -1.06 -2.17 115.31 119.41 2q81 h LEU 42 Ca 0.11 -0.24 -0.10 0.00 0.08 0.00 0.00 57.88 57.73 2q81 h LEU 42 Cb 0.80 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 2q81 h LEU 42 CO 0.07 0.90 -0.44 0.00 -1.08 0.00 0.00 178.44 177.88 2q81 h ALA 43 N 1.02 1.21 0.00 1.53 0.00 -1.03 -0.57 119.26 121.42 2q81 h ALA 43 Ca 0.18 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 2q81 h ALA 43 Cb 0.36 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2q81 h ALA 43 CO 0.00 0.57 -0.28 0.00 0.00 0.00 0.00 179.25 179.55 2q81 h ALA 44 N 1.49 1.48 0.00 0.00 0.00 -0.65 -3.31 119.26 118.27 2q81 h ALA 44 Ca 0.00 -0.25 -0.34 0.00 0.00 0.00 0.00 54.91 54.32 2q81 h ALA 44 Cb 0.81 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 2q81 h ALA 44 CO 0.06 0.35 -2.34 0.00 0.00 0.00 0.00 179.25 177.32 2q81 s SER 46 N -5.45 1.59 0.28 0.00 0.15 -0.25 -4.89 113.70 105.14 2q81 s SER 46 Ca -0.10 -0.20 -0.02 0.00 0.70 0.00 0.00 55.95 56.34 2q81 s SER 46 Cb 0.07 -0.62 0.40 0.00 -1.71 0.00 0.00 66.02 64.15 2q81 s SER 46 CO 0.83 -0.09 1.87 -0.33 1.20 0.00 0.00 173.24 176.72 2q81 h GLU 47 N 7.70 0.92 -0.13 5.44 4.39 -1.82 -0.88 114.58 130.20 2q81 h GLU 47 Ca -0.30 -0.14 0.04 0.00 0.34 0.00 0.00 59.36 59.29 2q81 h GLU 47 Cb 1.15 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 29.59 2q81 h GLU 47 CO 0.40 0.75 -0.10 -0.92 -1.16 0.00 0.00 179.01 177.98 2q81 h TYR 48 N 0.91 -0.26 -0.52 4.33 3.20 -1.85 -1.50 116.97 121.29 2q81 h TYR 48 Ca 0.22 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.01 2q81 h TYR 48 Cb 0.17 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 2q81 h TYR 48 CO 0.01 -0.16 -0.07 0.74 -1.64 0.00 0.00 178.16 177.04 2q81 h PHE 49 N -0.12 1.03 -0.02 -3.82 0.04 -1.75 0.22 116.94 112.53 2q81 h PHE 49 Ca 0.09 -0.19 0.03 0.00 2.80 0.00 0.00 57.97 60.70 2q81 h PHE 49 Cb 0.24 -0.26 -0.05 0.00 2.20 0.00 0.00 35.95 38.08 2q81 h PHE 49 CO -0.23 0.96 -0.30 -0.22 -0.60 0.00 0.00 178.31 177.92 2q81 h LYS 50 N 0.85 -0.42 0.00 1.51 3.64 -1.02 0.19 116.57 121.31 2q81 h LYS 50 Ca 0.14 0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.48 2q81 h LYS 50 Cb 0.60 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 2q81 h LYS 50 CO 0.04 -0.28 -0.35 0.52 -2.27 0.00 0.00 179.45 177.11 2q81 h MET 51 N -0.44 0.00 0.30 1.90 2.86 -1.08 -0.57 114.93 117.90 2q81 h MET 51 Ca 0.07 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 2q81 h MET 51 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 2q81 h MET 51 CO -0.27 0.35 -0.14 1.25 1.06 0.00 0.00 176.91 179.16 2q81 h LEU 52 N 0.00 -0.34 -0.14 1.22 5.85 -0.70 -1.31 115.31 119.90 2q81 h LEU 52 Ca -0.00 -0.20 -0.23 0.00 0.84 0.00 0.00 57.88 58.29 2q81 h LEU 52 Cb 0.95 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.07 2q81 h LEU 52 CO 0.05 0.07 -0.98 -0.26 -0.34 0.00 0.00 178.44 176.97 2q81 h PHE 53 N -0.81 0.58 0.00 1.25 0.04 -0.92 -0.33 116.94 116.75 2q81 h PHE 53 Ca -0.04 -0.33 -0.06 0.00 2.80 0.00 0.00 57.97 60.34 2q81 h PHE 53 Cb 0.51 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 2q81 h PHE 53 CO 0.03 1.16 -0.34 0.28 -0.60 0.00 0.00 178.31 178.84 2q81 h VAL 54 N 0.20 1.41 -0.02 -0.55 2.07 -1.26 -3.41 116.25 114.69 2q81 h VAL 54 Ca -0.09 -2.18 0.00 0.00 0.82 0.00 0.00 66.70 65.25 2q81 h VAL 54 Cb 1.63 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 34.19 2q81 h VAL 54 CO 0.17 0.48 -0.07 0.47 0.02 0.00 0.00 177.57 178.64 2q81 n ASP 55 N -4.57 2.44 -3.45 0.57 8.00 -0.59 -4.99 116.55 113.96 2q81 n ASP 55 Ca -0.15 -1.72 -0.24 0.00 0.71 0.00 0.00 54.79 53.39 2q81 n ASP 55 Cb 0.50 0.08 0.06 0.00 -0.02 0.00 0.00 41.12 41.74 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 0.87 -6.80 -4.31 -1.24 3.00 -0.13 -4.92 117.38 103.84 2q81 n GLN 56 Ca 0.10 0.83 -0.35 0.00 -0.01 0.00 0.00 57.00 57.57 2q81 n GLN 56 Cb 0.46 -5.81 -0.09 0.00 0.00 0.00 0.00 30.24 24.79 2q81 n GLN 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 2q81 s LYS 57 N -6.16 3.14 -1.36 -1.09 2.20 -0.81 -4.65 119.74 111.02 2q81 s LYS 57 Ca 0.51 -0.39 -0.08 0.00 -0.36 0.00 0.00 55.97 55.65 2q81 s LYS 57 Cb -0.23 -2.86 0.02 0.00 -1.51 0.00 0.00 37.83 33.25 2q81 s LYS 57 CO 0.63 0.64 1.11 -3.47 -0.36 0.00 0.00 175.35 173.90 2q81 n ASP 58 N 2.34 -5.21 -0.31 1.43 2.03 -1.26 -4.05 116.55 111.52 2q81 n ASP 58 Ca -0.18 -0.60 -0.04 0.00 0.52 0.00 0.00 54.79 54.49 2q81 n ASP 58 Cb 0.54 -4.85 0.08 0.00 -0.72 0.00 0.00 41.12 36.16 2q81 n ASP 58 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2q81 h VAL 59 N -2.45 1.23 0.00 5.18 2.07 -1.97 -2.88 116.25 117.43 2q81 h VAL 59 Ca -0.58 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 2q81 h VAL 59 Cb 1.37 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 2q81 h VAL 59 CO 0.57 0.23 -0.07 0.58 0.02 0.00 0.00 177.57 178.89 2q81 h VAL 60 N 1.16 0.27 0.00 2.57 2.07 -1.99 -2.09 116.25 118.24 2q81 h VAL 60 Ca 0.31 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2q81 h VAL 60 Cb -0.09 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 2q81 h VAL 60 CO -0.06 0.07 0.00 0.45 0.02 0.00 0.00 177.57 178.05 2q81 h HIS 61 N 0.00 0.00 -0.29 1.57 3.86 -1.90 -1.49 115.15 116.90 2q81 h HIS 61 Ca -0.00 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.29 2q81 h HIS 61 Cb 0.40 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 2q81 h HIS 61 CO 0.00 0.00 0.32 -0.07 0.86 0.00 0.00 177.93 179.04 2q81 h LEU 62 N 0.00 0.00 0.00 2.43 3.38 -1.56 -1.82 115.31 117.74 2q81 h LEU 62 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2q81 h LEU 62 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2q81 h LEU 62 CO 0.00 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 177.63 2q81 n ASP 63 N -3.75 0.00 0.17 -0.43 5.68 -0.56 -0.47 116.55 117.18 2q81 n ASP 63 Ca 0.04 -0.19 0.13 0.00 -0.50 0.00 0.00 54.79 54.27 2q81 n ASP 63 Cb 0.47 -0.16 0.40 0.00 -1.14 0.00 0.00 41.12 40.69 2q81 n ASP 63 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 2q81 h ILE 64 N 0.00 0.00 -4.01 2.12 2.04 -1.56 -3.46 117.51 112.64 2q81 h ILE 64 Ca 0.00 -0.57 -0.55 0.00 1.00 0.00 0.00 64.86 64.74 2q81 h ILE 64 Cb 0.08 1.52 0.13 0.00 -0.74 0.00 0.00 36.82 37.81 2q81 h ILE 64 CO 0.00 0.00 0.69 -0.44 0.00 0.00 0.00 178.15 178.40 2q81 s SER 65 N -5.10 5.70 0.09 1.72 0.01 0.38 -4.72 113.70 111.77 2q81 s SER 65 Ca 0.07 2.91 0.02 0.00 1.31 0.00 0.00 55.95 60.25 2q81 s SER 65 Cb 0.09 -2.65 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 2q81 s SER 65 CO 0.57 -1.29 -0.07 0.54 0.41 0.00 0.00 173.24 173.40 2q81 s ASN 66 N -0.59 1.08 0.12 2.44 2.20 -1.26 -4.96 114.94 113.96 2q81 s ASN 66 Ca 0.64 -0.96 -0.16 0.00 -0.94 0.00 0.00 52.86 51.44 2q81 s ASN 66 Cb -0.43 0.09 -0.03 0.00 -2.00 0.00 0.00 41.25 38.88 2q81 s ASN 66 CO 0.55 -0.44 1.59 0.00 -2.94 0.00 0.00 177.10 175.85 2q81 h ALA 67 N 3.14 0.49 -0.23 3.54 0.00 -1.94 -1.11 119.26 123.15 2q81 h ALA 67 Ca -0.35 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.36 2q81 h ALA 67 Cb 1.17 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2q81 h ALA 67 CO 0.62 0.21 0.10 0.00 0.00 0.00 0.00 179.25 180.18 2q81 h ALA 68 N 0.90 0.27 -0.18 0.00 0.00 -1.95 0.45 119.26 118.75 2q81 h ALA 68 Ca 0.11 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2q81 h ALA 68 Cb 0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2q81 h ALA 68 CO 0.01 -0.31 -0.05 0.78 0.00 0.00 0.00 179.25 179.68 2q81 h GLY 69 N 0.22 0.37 1.05 0.00 0.00 -1.73 -2.94 103.07 100.05 2q81 h GLY 69 Ca 0.10 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.04 2q81 h GLY 69 CO -0.08 0.29 0.12 -2.00 0.00 0.00 0.00 176.54 174.87 2q81 h LEU 70 N 0.05 1.02 -0.71 3.11 5.85 -1.11 -1.75 115.31 121.77 2q81 h LEU 70 Ca 0.04 -0.25 0.15 0.00 0.84 0.00 0.00 57.88 58.67 2q81 h LEU 70 Cb 0.50 -0.27 -0.11 0.00 0.37 0.00 0.00 40.66 41.14 2q81 h LEU 70 CO 0.02 1.01 0.12 1.23 -0.34 0.00 0.00 178.44 180.48 2q81 h GLY 71 N 0.99 0.92 1.02 3.75 0.00 -0.90 -1.16 103.07 107.70 2q81 h GLY 71 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.37 2q81 h GLY 71 CO 0.01 -0.21 -0.51 1.46 0.00 0.00 0.00 176.54 177.29 2q81 h GLN 72 N 0.22 0.71 -0.60 4.80 1.08 -1.31 -2.32 115.11 117.69 2q81 h GLN 72 Ca 0.39 -0.49 0.02 0.00 -1.45 0.00 0.00 58.65 57.13 2q81 h GLN 72 Cb 0.67 0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 28.14 2q81 h GLN 72 CO -0.53 1.11 0.37 0.28 -0.95 0.00 0.00 178.83 179.11 2q81 h VAL 73 N 0.42 1.08 -0.23 -0.54 2.07 -0.94 -1.10 116.25 117.01 2q81 h VAL 73 Ca -0.01 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 2q81 h VAL 73 Cb 1.12 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2q81 h VAL 73 CO 0.11 0.13 0.03 -0.07 0.02 0.00 0.00 177.57 177.80 2q81 h LEU 74 N 0.73 0.37 -0.50 2.57 3.38 -1.20 -0.98 115.31 119.68 2q81 h LEU 74 Ca 0.24 -0.27 0.10 0.00 0.09 0.00 0.00 57.88 58.04 2q81 h LEU 74 Cb 0.01 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.57 2q81 h LEU 74 CO -0.09 0.54 -0.04 -0.33 0.09 0.00 0.00 178.44 178.60 2q81 h GLU 75 N 0.18 0.07 -0.25 1.13 4.39 -1.24 -2.20 114.58 116.66 2q81 h GLU 75 Ca 0.07 -0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.78 2q81 h GLU 75 Cb 0.33 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 2q81 h GLU 75 CO 0.01 0.05 0.12 0.35 -1.16 0.00 0.00 179.01 178.37 2q81 h PHE 76 N 0.07 0.22 -0.91 4.33 3.57 -0.89 -0.41 116.94 122.92 2q81 h PHE 76 Ca 0.25 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.88 2q81 h PHE 76 Cb 0.39 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 38.98 2q81 h PHE 76 CO -0.35 0.12 0.54 0.52 -2.23 0.00 0.00 178.31 176.90 2q81 h MET 77 N 0.25 0.82 0.00 1.11 2.86 -0.60 0.22 114.93 119.60 2q81 h MET 77 Ca 0.11 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 2q81 h MET 77 Cb 0.04 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.51 2q81 h MET 77 CO -0.08 0.54 -1.32 0.66 1.06 0.00 0.00 176.91 177.77 2q81 n TYR 78 N -4.72 0.72 0.00 -0.22 4.02 -0.89 -4.53 117.16 111.55 2q81 n TYR 78 Ca 0.17 0.21 0.00 0.00 -0.01 0.00 0.00 57.90 58.27 2q81 n TYR 78 Cb 0.35 -0.87 0.00 0.00 -0.02 0.00 0.00 39.34 38.80 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 -2.60 0.00 -1.34 -0.72 -2.24 -0.18 -4.75 114.28 102.45 2q81 n THR 79 Ca -0.03 -0.28 -0.12 0.00 -2.27 0.00 0.00 64.05 61.36 2q81 n THR 79 Cb 0.60 0.92 -0.05 0.00 -2.10 0.00 0.00 70.33 69.71 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 -0.66 -0.18 -2.57 6.98 0.00 0.78 -5.00 120.51 119.86 2q81 n ALA 80 Ca 0.00 0.19 -0.23 0.00 0.00 0.00 0.00 53.44 53.40 2q81 n ALA 80 Cb 0.00 -1.51 -0.13 0.00 0.00 0.00 0.00 19.45 17.81 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 -2.87 1.11 0.22 0.00 1.02 -1.26 -4.97 119.74 112.99 2q81 s LYS 81 Ca 0.00 -1.02 0.10 0.00 0.02 0.00 0.00 55.97 55.07 2q81 s LYS 81 Cb 0.00 -1.26 -0.05 0.00 -0.52 0.00 0.00 37.83 36.00 2q81 s LYS 81 CO 0.00 0.30 -0.20 -0.51 -0.92 0.00 0.00 175.35 174.02 2q81 s LEU 82 N -1.61 2.51 -0.55 3.17 1.43 -1.26 -2.50 118.68 119.86 2q81 s LEU 82 Ca 0.05 -0.95 0.04 0.00 -1.03 0.00 0.00 54.13 52.24 2q81 s LEU 82 Cb -0.09 -0.99 0.14 0.00 0.03 0.00 0.00 46.19 45.27 2q81 s LEU 82 CO 0.03 0.01 0.32 -0.44 0.23 0.00 0.00 176.35 176.50 2q81 s SER 83 N -3.07 4.26 0.34 2.29 0.01 -1.26 -5.08 113.70 111.19 2q81 s SER 83 Ca 0.23 -3.17 -0.18 0.00 1.31 0.00 0.00 55.95 54.14 2q81 s SER 83 Cb -0.05 -1.51 -0.10 0.00 0.21 0.00 0.00 66.02 64.57 2q81 s SER 83 CO 0.10 -0.20 0.81 -0.76 0.41 0.00 0.00 173.24 173.61 2q81 s LEU 84 N -0.48 4.07 0.08 2.44 1.43 -1.26 -5.01 118.68 119.94 2q81 s LEU 84 Ca 0.20 1.44 -0.08 0.00 -1.03 0.00 0.00 54.13 54.66 2q81 s LEU 84 Cb -0.19 -4.16 -0.01 0.00 0.03 0.00 0.00 46.19 41.85 2q81 s LEU 84 CO -0.05 -0.22 0.16 -0.94 0.23 0.00 0.00 176.35 175.53 2q81 s SER 85 N -2.15 0.16 0.55 2.29 1.04 -1.26 -5.03 113.70 109.30 2q81 s SER 85 Ca 0.55 -0.66 0.28 0.00 0.48 0.00 0.00 55.95 56.60 2q81 s SER 85 Cb -0.11 0.31 1.46 0.00 0.10 0.00 0.00 66.02 67.78 2q81 s SER 85 CO 0.17 -0.68 1.97 -0.65 0.98 0.00 0.00 173.24 175.02 2q81 h PRO 86 N 2.93 0.00 -0.17 4.02 0.11 -1.98 -1.89 132.00 135.02 2q81 h PRO 86 Ca -0.34 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.60 2q81 h PRO 86 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2q81 h PRO 86 CO 0.56 0.00 -0.60 0.93 -0.21 0.00 0.00 178.00 178.68 2q81 h GLU 87 N 0.00 0.56 -0.00 1.05 3.07 -2.01 -3.34 114.58 113.91 2q81 h GLU 87 Ca 0.25 -0.38 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 2q81 h GLU 87 Cb 1.11 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 2q81 h GLU 87 CO -0.00 0.99 -0.60 0.27 -1.40 0.00 0.00 179.01 178.27 2q81 n ASN 88 N -3.93 1.15 -0.27 1.42 0.23 -1.00 -4.74 115.26 108.12 2q81 n ASN 88 Ca -0.04 -1.07 -0.03 0.00 -0.53 0.00 0.00 54.58 52.91 2q81 n ASN 88 Cb 0.64 0.78 0.08 0.00 -2.08 0.00 0.00 39.78 39.21 2q81 n ASN 88 CO 0.00 0.00 0.00 -0.37 -0.93 0.00 0.00 177.26 175.96 2q81 h VAL 89 N 0.78 1.13 -0.38 3.53 -1.51 -1.47 -0.20 116.25 118.12 2q81 h VAL 89 Ca 0.00 -0.33 -0.09 0.00 -1.23 0.00 0.00 66.70 65.05 2q81 h VAL 89 Cb 0.47 0.09 -0.01 0.00 -2.13 0.00 0.00 31.29 29.70 2q81 h VAL 89 CO 0.00 0.17 -0.12 0.44 -1.23 0.00 0.00 177.57 176.84 2q81 h ASP 90 N 0.95 0.76 -0.70 4.19 3.32 -1.85 0.17 116.42 123.26 2q81 h ASP 90 Ca 0.30 -0.38 0.01 0.00 0.02 0.00 0.00 57.03 56.98 2q81 h ASP 90 Cb -0.01 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 2q81 h ASP 90 CO -0.10 0.96 0.46 0.44 -1.72 0.00 0.00 179.24 179.28 2q81 h ASP 91 N 0.55 0.81 -0.29 6.45 3.32 -1.76 -0.99 116.42 124.51 2q81 h ASP 91 Ca 0.09 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 2q81 h ASP 91 Cb 0.64 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 2q81 h ASP 91 CO 0.04 0.60 -0.03 0.58 -1.72 0.00 0.00 179.24 178.71 2q81 h VAL 92 N 0.95 1.27 -0.54 -1.35 2.07 -0.87 -2.75 116.25 115.03 2q81 h VAL 92 Ca 0.26 -1.00 0.07 0.00 0.82 0.00 0.00 66.70 66.84 2q81 h VAL 92 Cb -0.10 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.95 2q81 h VAL 92 CO -0.05 0.32 0.23 0.25 0.02 0.00 0.00 177.57 178.34 2q81 h LEU 93 N 0.32 0.28 -0.31 2.57 5.85 -0.43 0.81 115.31 124.39 2q81 h LEU 93 Ca 0.08 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.87 2q81 h LEU 93 Cb 0.48 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 2q81 h LEU 93 CO 0.02 0.19 0.15 0.00 -0.34 0.00 0.00 178.44 178.46 2q81 h ALA 94 N 1.34 0.38 -0.14 1.25 0.00 -1.12 -0.32 119.26 120.65 2q81 h ALA 94 Ca 0.26 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2q81 h ALA 94 Cb 0.24 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2q81 h ALA 94 CO -0.23 -0.23 0.00 0.28 0.00 0.00 0.00 179.25 179.08 2q81 h VAL 95 N 0.32 1.25 -0.35 0.00 2.07 -1.16 -2.95 116.25 115.42 2q81 h VAL 95 Ca 0.13 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 2q81 h VAL 95 Cb 0.05 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 2q81 h VAL 95 CO -0.09 0.24 0.14 0.00 0.02 0.00 0.00 177.57 177.87 2q81 h ALA 96 N 0.76 1.58 0.40 1.67 0.00 -0.68 -0.85 119.26 122.14 2q81 h ALA 96 Ca 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2q81 h ALA 96 Cb 0.36 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2q81 h ALA 96 CO 0.01 0.33 -0.19 1.15 0.00 0.00 0.00 179.25 180.54 2q81 h THR 97 N 0.50 0.61 0.00 0.00 2.02 -0.97 -0.00 112.91 115.06 2q81 h THR 97 Ca 0.12 -0.17 -0.09 0.00 0.77 0.00 0.00 66.41 67.04 2q81 h THR 97 Cb 0.11 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2q81 h THR 97 CO -0.01 0.03 -0.42 2.19 0.37 0.00 0.00 175.52 177.69 2q81 h PHE 98 N -0.64 0.00 0.00 3.16 -5.15 -1.33 -1.85 116.94 111.14 2q81 h PHE 98 Ca -0.05 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.72 2q81 h PHE 98 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.64 2q81 h PHE 98 CO -0.03 0.42 0.00 1.28 -2.00 0.00 0.00 178.31 177.98 2q81 n LEU 99 N -3.75 0.00 -3.69 2.10 4.77 -0.35 -4.72 117.00 111.37 2q81 n LEU 99 Ca -0.01 0.35 -0.22 0.00 -0.03 0.00 0.00 56.01 56.09 2q81 n LEU 99 Cb 0.49 -0.35 0.04 0.00 -2.33 0.00 0.00 43.42 41.28 2q81 n LEU 99 CO 0.38 -0.10 0.02 0.00 -1.33 0.00 0.00 177.39 176.36 2q81 n GLN 100 N -1.35 -5.53 -3.53 3.23 6.02 -0.52 -3.89 117.38 111.81 2q81 n GLN 100 Ca 0.09 0.67 -0.42 0.00 -0.01 0.00 0.00 57.00 57.33 2q81 n GLN 100 Cb 0.20 -5.40 -0.06 0.00 1.02 0.00 0.00 30.24 25.99 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 -6.01 3.00 0.23 -1.09 -1.94 -0.13 -4.66 119.30 108.70 2q81 s MET 101 Ca 0.16 -2.41 -0.09 0.00 -1.71 0.00 0.00 55.69 51.65 2q81 s MET 101 Cb -0.08 -4.06 0.20 0.00 2.01 0.00 0.00 34.83 32.90 2q81 s MET 101 CO 0.80 -1.23 1.90 0.37 -0.01 0.00 0.00 175.02 176.84 2q81 h GLN 102 N 7.53 1.13 -0.15 2.03 5.75 -1.93 -1.53 115.11 127.94 2q81 h GLN 102 Ca 0.01 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.37 2q81 h GLN 102 Cb 1.00 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 29.29 2q81 h GLN 102 CO 0.75 0.76 -0.19 -0.44 -2.65 0.00 0.00 178.83 177.06 2q81 h ASP 103 N 1.16 0.24 0.03 -0.69 3.32 -1.98 0.00 116.42 118.50 2q81 h ASP 103 Ca 0.31 -0.06 -0.19 0.00 0.02 0.00 0.00 57.03 57.11 2q81 h ASP 103 Cb -0.12 -0.06 0.02 0.00 0.22 0.00 0.00 39.33 39.38 2q81 h ASP 103 CO -0.07 0.45 -0.75 0.40 -1.72 0.00 0.00 179.24 177.55 2q81 h ILE 104 N 0.23 1.40 -0.59 0.35 2.04 -1.85 -2.35 117.51 116.75 2q81 h ILE 104 Ca 0.04 -2.20 0.12 0.00 1.00 0.00 0.00 64.86 63.82 2q81 h ILE 104 Cb 0.47 2.66 -0.09 0.00 -0.74 0.00 0.00 36.82 39.12 2q81 h ILE 104 CO 0.03 0.65 0.06 0.40 0.00 0.00 0.00 178.15 179.28 2q81 h ILE 105 N -0.03 0.58 -0.34 -0.67 2.04 -1.05 0.38 117.51 118.41 2q81 h ILE 105 Ca -0.10 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 2q81 h ILE 105 Cb 1.47 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 2q81 h ILE 105 CO 0.15 0.03 0.12 0.74 0.00 0.00 0.00 178.15 179.19 2q81 h THR 106 N 0.18 1.20 -0.90 -0.27 2.02 -1.01 -1.43 112.91 112.70 2q81 h THR 106 Ca 0.31 -0.63 0.03 0.00 0.77 0.00 0.00 66.41 66.89 2q81 h THR 106 Cb 0.48 0.97 -0.05 0.00 -1.74 0.00 0.00 68.15 67.81 2q81 h THR 106 CO -0.45 0.22 0.59 0.00 0.37 0.00 0.00 175.52 176.24 2q81 h ALA 107 N 0.96 1.17 -0.31 6.16 0.00 -1.05 0.15 119.26 126.34 2q81 h ALA 107 Ca 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2q81 h ALA 107 Cb 0.22 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2q81 h ALA 107 CO -0.01 0.47 0.13 0.00 0.00 0.00 0.00 179.25 179.85 2q81 h HIS 109 N 0.35 0.98 -0.60 0.00 3.86 -0.94 -1.69 115.15 117.11 2q81 h HIS 109 Ca 0.10 -0.13 0.06 0.00 -1.16 0.00 0.00 60.37 59.24 2q81 h HIS 109 Cb 0.16 -0.27 -0.05 0.00 1.06 0.00 0.00 27.41 28.31 2q81 h HIS 109 CO -0.01 0.86 0.31 0.00 0.86 0.00 0.00 177.93 179.95 2q81 h ALA 110 N 1.19 0.78 -0.27 2.45 0.00 -0.50 -1.16 119.26 121.75 2q81 h ALA 110 Ca 0.17 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2q81 h ALA 110 Cb 0.44 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2q81 h ALA 110 CO 0.02 -0.04 -0.16 1.25 0.00 0.00 0.00 179.25 180.32 2q81 h LEU 111 N 0.58 0.60 -1.93 0.00 6.46 -1.13 -3.13 115.31 116.75 2q81 h LEU 111 Ca 0.27 -0.42 -0.02 0.00 -0.12 0.00 0.00 57.88 57.59 2q81 h LEU 111 Cb 0.19 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 39.95 2q81 h LEU 111 CO -0.19 0.90 -0.08 0.11 -0.62 0.00 0.00 178.44 178.56 2q81 h LYS 112 N 0.31 0.00 0.00 1.25 1.57 -1.02 -1.29 116.57 117.40 2q81 h LYS 112 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2q81 h LYS 112 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2q81 h LYS 112 CO 0.04 0.08 0.00 -1.13 -0.57 0.00 0.00 179.45 177.87 2q81 n SER 113 N -4.27 0.00 -0.72 0.86 3.41 -0.46 -5.10 113.62 107.34 2q81 n SER 113 Ca -0.03 0.16 0.09 0.00 -0.26 0.00 0.00 58.87 58.83 2q81 n SER 113 Cb 0.16 -0.36 0.08 0.00 -0.26 0.00 0.00 64.21 63.83 2q81 n SER 113 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06