#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q81 h PHE 3 N 0.00 0.80 0.04 -0.67 3.57 -2.04 0.31 116.94 118.95 2q81 h PHE 3 Ca 0.00 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.55 2q81 h PHE 3 Cb 0.00 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.45 2q81 h PHE 3 CO 0.00 0.27 -0.29 -1.35 -2.23 0.00 0.00 178.31 174.71 2q81 h PRO 4 N 0.65 -0.45 0.23 6.41 0.11 -2.05 0.19 132.00 137.09 2q81 h PRO 4 Ca 0.46 0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.59 2q81 h PRO 4 Cb 0.80 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2q81 h PRO 4 CO -0.22 -0.30 -0.11 1.96 -0.21 0.00 0.00 178.00 179.13 2q81 h GLN 5 N -0.47 -0.30 -0.58 1.05 4.20 -1.73 -2.54 115.11 114.75 2q81 h GLN 5 Ca 0.05 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.84 2q81 h GLN 5 Cb 0.53 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.32 2q81 h GLN 5 CO -0.22 -0.15 0.28 1.25 -0.67 0.00 0.00 178.83 179.32 2q81 h HIS 6 N -0.37 0.51 -0.52 2.96 2.76 -0.43 -1.89 115.15 118.18 2q81 h HIS 6 Ca -0.03 0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.23 2q81 h HIS 6 Cb 0.28 -0.14 -0.06 0.00 1.55 0.00 0.00 27.41 29.04 2q81 h HIS 6 CO -0.04 0.22 0.20 0.77 -1.30 0.00 0.00 177.93 177.78 2q81 h SER 7 N 0.53 0.22 -0.39 3.26 0.02 -0.55 -1.92 113.55 114.73 2q81 h SER 7 Ca 0.27 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 2q81 h SER 7 Cb 0.22 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 2q81 h SER 7 CO -0.21 0.15 0.25 1.56 -1.14 0.00 0.00 176.83 177.45 2q81 h GLN 8 N 0.39 0.51 -0.72 3.45 4.20 -0.99 -2.08 115.11 119.87 2q81 h GLN 8 Ca 0.25 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.94 2q81 h GLN 8 Cb 0.26 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 2q81 h GLN 8 CO -0.24 0.33 0.47 1.25 -0.67 0.00 0.00 178.83 179.98 2q81 h HIS 9 N 0.52 0.89 -0.19 2.96 2.76 -1.02 -0.69 115.15 120.38 2q81 h HIS 9 Ca 0.14 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 2q81 h HIS 9 Cb -0.06 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 28.60 2q81 h HIS 9 CO -0.05 0.54 0.06 0.28 -1.30 0.00 0.00 177.93 177.46 2q81 h VAL 10 N 0.95 1.19 -0.65 5.26 2.07 -1.19 -2.19 116.25 121.68 2q81 h VAL 10 Ca 0.27 -0.59 -0.08 0.00 0.82 0.00 0.00 66.70 67.13 2q81 h VAL 10 Cb -0.07 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2q81 h VAL 10 CO -0.07 0.18 0.10 0.25 0.02 0.00 0.00 177.57 178.05 2q81 h LEU 11 N 0.14 1.03 -0.60 2.57 5.85 -1.21 -0.45 115.31 122.64 2q81 h LEU 11 Ca 0.06 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.60 2q81 h LEU 11 Cb 0.23 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 2q81 h LEU 11 CO -0.00 1.02 0.31 -0.33 -0.34 0.00 0.00 178.44 179.09 2q81 h GLU 12 N 1.01 0.55 -0.62 1.25 5.08 -1.06 0.22 114.58 121.01 2q81 h GLU 12 Ca 0.20 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.46 2q81 h GLU 12 Cb 0.43 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2q81 h GLU 12 CO 0.01 0.37 0.13 1.96 -1.00 0.00 0.00 179.01 180.48 2q81 h GLN 13 N 0.57 1.01 -0.62 2.33 1.08 -0.88 -1.55 115.11 117.05 2q81 h GLN 13 Ca 0.27 -0.26 -0.06 0.00 -1.45 0.00 0.00 58.65 57.15 2q81 h GLN 13 Cb 0.20 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.47 2q81 h GLN 13 CO -0.19 0.93 0.14 -0.07 -0.95 0.00 0.00 178.83 178.69 2q81 h LEU 14 N 0.92 0.93 -0.67 1.46 3.38 -0.58 -0.51 115.31 120.24 2q81 h LEU 14 Ca 0.19 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2q81 h LEU 14 Cb 0.39 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2q81 h LEU 14 CO 0.01 0.91 0.23 -1.13 0.09 0.00 0.00 178.44 178.54 2q81 h ASN 15 N 0.94 0.97 -0.57 -0.43 -1.24 -0.68 -1.79 115.58 112.78 2q81 h ASN 15 Ca 0.20 -0.20 -0.05 0.00 0.71 0.00 0.00 56.30 56.96 2q81 h ASN 15 Cb 0.35 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 39.13 2q81 h ASN 15 CO 0.00 0.91 0.18 1.56 -1.29 0.00 0.00 177.43 178.78 2q81 h GLN 16 N 0.97 0.88 -0.35 6.67 4.20 -0.89 -2.41 115.11 124.19 2q81 h GLN 16 Ca 0.22 -0.19 0.03 0.00 0.06 0.00 0.00 58.65 58.77 2q81 h GLN 16 Cb 0.27 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 2q81 h GLN 16 CO -0.01 0.80 0.17 1.96 -0.67 0.00 0.00 178.83 181.08 2q81 h GLN 17 N 0.80 0.34 -0.05 1.46 4.20 -0.89 -1.42 115.11 119.54 2q81 h GLN 17 Ca 0.18 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.75 2q81 h GLN 17 Cb 0.29 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2q81 h GLN 17 CO -0.01 0.22 -0.53 0.07 -0.67 0.00 0.00 178.83 177.92 2q81 h ARG 18 N 0.35 0.14 -0.10 1.46 -0.00 -1.22 0.37 114.38 115.38 2q81 h ARG 18 Ca 0.15 -0.08 -0.08 0.00 -0.00 0.00 0.00 59.98 59.96 2q81 h ARG 18 Cb 0.07 0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 30.04 2q81 h ARG 18 CO -0.11 0.64 -0.32 1.96 -0.00 0.00 0.00 179.97 182.13 2q81 h GLN 19 N 0.11 0.18 0.00 0.08 4.20 -1.29 -2.86 115.11 115.53 2q81 h GLN 19 Ca 0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2q81 h GLN 19 Cb 0.98 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.74 2q81 h GLN 19 CO 0.08 0.50 -0.48 1.28 -0.67 0.00 0.00 178.83 179.53 2q81 n LEU 20 N -4.11 0.49 -2.80 1.46 4.77 -0.55 -4.96 117.00 111.30 2q81 n LEU 20 Ca -0.01 0.10 -0.19 0.00 -0.03 0.00 0.00 56.01 55.88 2q81 n LEU 20 Cb 0.40 -0.26 0.05 0.00 -2.33 0.00 0.00 43.42 41.29 2q81 n LEU 20 CO 0.40 0.07 0.13 0.61 -1.33 0.00 0.00 177.39 177.27 2q81 n GLY 21 N 1.46 -0.26 3.69 -0.72 0.00 0.42 -5.03 105.19 104.75 2q81 n GLY 21 Ca 0.05 0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 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 -5.86 3.84 -1.81 0.99 1.43 0.10 -4.55 118.68 112.82 2q81 s LEU 22 Ca 0.39 0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.66 2q81 s LEU 22 Cb -0.17 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.11 2q81 s LEU 22 CO 0.49 0.28 0.00 0.18 0.23 0.00 0.00 176.35 177.53 2q81 n LEU 23 N 2.79 -1.63 -4.85 1.79 4.77 -1.26 -4.38 117.00 114.22 2q81 n LEU 23 Ca -0.18 0.21 -0.36 0.00 -0.03 0.00 0.00 56.01 55.66 2q81 n LEU 23 Cb 0.53 -2.75 -0.06 0.00 -2.33 0.00 0.00 43.42 38.82 2q81 n LEU 23 CO 0.32 -0.53 0.13 0.00 -1.33 0.00 0.00 177.39 175.97 2q81 n ASP 25 N 1.10 2.00 -3.91 0.00 5.68 -0.97 -4.97 116.55 115.47 2q81 n ASP 25 Ca -0.09 -2.01 -0.25 0.00 -0.50 0.00 0.00 54.79 51.94 2q81 n ASP 25 Cb 0.52 -0.01 -0.17 0.00 -1.14 0.00 0.00 41.12 40.33 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 1.39 1.89 -0.17 0.00 2.01 -0.10 -1.36 115.64 119.29 2q81 s THR 27 Ca -0.02 -0.86 -0.08 0.00 0.31 0.00 0.00 61.69 61.04 2q81 s THR 27 Cb -0.13 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 2q81 s THR 27 CO -0.04 0.51 0.10 -0.36 -0.69 0.00 0.00 174.62 174.14 2q81 s PHE 28 N 1.02 3.36 -0.16 4.92 0.08 -0.09 0.08 117.98 127.19 2q81 s PHE 28 Ca -0.03 0.25 0.00 0.00 0.12 0.00 0.00 56.93 57.27 2q81 s PHE 28 Cb -0.15 -2.08 0.00 0.00 -0.57 0.00 0.00 43.02 40.23 2q81 s PHE 28 CO -0.05 0.31 -0.16 0.08 -0.10 0.00 0.00 175.22 175.30 2q81 s VAL 29 N 0.09 2.49 -0.23 -0.44 1.01 -0.81 -1.29 120.40 121.23 2q81 s VAL 29 Ca 0.07 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.12 2q81 s VAL 29 Cb -0.12 -2.05 0.08 0.00 0.00 0.00 0.00 36.38 34.29 2q81 s VAL 29 CO -0.00 0.52 0.54 0.54 0.00 0.00 0.00 175.10 176.70 2q81 s VAL 30 N 0.98 -0.19 -1.39 2.92 0.11 -0.02 -4.54 120.40 118.27 2q81 s VAL 30 Ca -0.02 0.06 -0.09 0.00 -2.93 0.00 0.00 61.98 58.99 2q81 s VAL 30 Cb -0.15 -0.81 0.03 0.00 -1.53 0.00 0.00 36.38 33.92 2q81 s VAL 30 CO -0.03 0.02 1.10 0.47 -3.33 0.00 0.00 175.10 173.33 2q81 n ASP 31 N 4.54 -5.41 -1.56 3.54 8.00 -1.26 -1.97 116.55 122.43 2q81 n ASP 31 Ca -0.19 -0.62 -0.15 0.00 0.71 0.00 0.00 54.79 54.54 2q81 n ASP 31 Cb 0.55 -4.70 -0.03 0.00 -0.02 0.00 0.00 41.12 36.93 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 -1.84 0.30 2.96 0.44 0.00 -1.26 -5.00 105.19 100.79 2q81 n GLY 32 Ca -0.02 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.70 0.09 0.10 1.61 1.01 -0.83 -5.17 120.40 114.51 2q81 s VAL 33 Ca 0.00 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.36 2q81 s VAL 33 Cb 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 2q81 s VAL 33 CO 0.00 -0.39 -0.24 -1.38 0.00 0.00 0.00 175.10 173.09 2q81 s HIS 34 N -1.15 2.05 -0.01 5.22 -3.43 -1.26 -0.84 115.29 115.88 2q81 s HIS 34 Ca -0.13 -0.40 0.03 0.00 -0.80 0.00 0.00 55.06 53.77 2q81 s HIS 34 Cb -0.08 -1.14 -0.01 0.00 -1.43 0.00 0.00 32.58 29.92 2q81 s HIS 34 CO -0.01 0.24 -0.10 -0.06 -2.00 0.00 0.00 174.74 172.81 2q81 s PHE 35 N -1.05 0.91 0.14 0.38 0.08 -0.41 -4.99 117.98 113.04 2q81 s PHE 35 Ca 0.10 -0.18 0.08 0.00 0.12 0.00 0.00 56.93 57.05 2q81 s PHE 35 Cb -0.10 -0.59 -0.04 0.00 -0.57 0.00 0.00 43.02 41.72 2q81 s PHE 35 CO 0.04 -0.02 -0.08 0.15 -0.10 0.00 0.00 175.22 175.22 2q81 s LYS 36 N -0.26 2.14 0.27 0.44 1.02 -1.26 -0.92 119.74 121.18 2q81 s LYS 36 Ca 0.04 -1.13 -0.19 0.00 0.02 0.00 0.00 55.97 54.71 2q81 s LYS 36 Cb -0.04 -2.26 0.01 0.00 -0.52 0.00 0.00 37.83 35.03 2q81 s LYS 36 CO -0.00 0.47 0.65 0.00 -0.92 0.00 0.00 175.35 175.55 2q81 s ALA 37 N -1.48 -0.93 -0.24 5.17 0.00 -0.47 -4.86 121.76 118.96 2q81 s ALA 37 Ca 0.24 -0.48 -0.08 0.00 0.00 0.00 0.00 51.96 51.63 2q81 s ALA 37 Cb -0.10 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 2q81 s ALA 37 CO 0.15 -0.98 0.09 -1.01 0.00 0.00 0.00 175.76 174.01 2q81 s HIS 38 N -3.94 3.15 0.28 0.00 0.09 -1.26 -1.81 115.29 111.79 2q81 s HIS 38 Ca 0.14 -0.20 0.02 0.00 -0.00 0.00 0.00 55.06 55.02 2q81 s HIS 38 Cb -0.04 -2.23 0.61 0.00 -0.00 0.00 0.00 32.58 30.91 2q81 s HIS 38 CO 0.08 -0.20 1.78 0.87 -0.00 0.00 0.00 174.74 177.26 2q81 h LYS 39 N 7.93 0.71 -0.25 1.40 1.57 -1.94 -1.70 116.57 124.28 2q81 h LYS 39 Ca -0.37 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.31 2q81 h LYS 39 Cb 1.18 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 2q81 h LYS 39 CO 0.60 0.47 -0.09 0.00 -0.57 0.00 0.00 179.45 179.85 2q81 h ALA 40 N 1.59 1.38 -0.07 3.86 0.00 -1.94 0.12 119.26 124.19 2q81 h ALA 40 Ca 0.51 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 2q81 h ALA 40 Cb 0.72 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2q81 h ALA 40 CO -0.36 0.43 -0.15 0.28 0.00 0.00 0.00 179.25 179.45 2q81 h VAL 41 N 0.38 1.41 -0.84 0.00 2.07 -1.78 -3.16 116.25 114.33 2q81 h VAL 41 Ca 0.08 -1.46 0.05 0.00 0.82 0.00 0.00 66.70 66.19 2q81 h VAL 41 Cb 0.40 2.20 -0.06 0.00 -1.52 0.00 0.00 31.29 32.32 2q81 h VAL 41 CO 0.02 0.41 0.52 -0.07 0.02 0.00 0.00 177.57 178.47 2q81 h LEU 42 N -0.26 0.83 -2.73 2.57 3.38 -1.05 -1.64 115.31 116.41 2q81 h LEU 42 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2q81 h LEU 42 Cb 0.73 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2q81 h LEU 42 CO 0.03 0.54 0.00 0.00 0.09 0.00 0.00 178.44 179.11 2q81 h ALA 43 N 1.39 1.00 -0.39 1.53 0.00 -0.80 0.40 119.26 122.39 2q81 h ALA 43 Ca 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 2q81 h ALA 43 Cb 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2q81 h ALA 43 CO -0.16 -0.00 0.08 0.00 0.00 0.00 0.00 179.25 179.17 2q81 h ALA 44 N 1.99 1.40 0.00 0.00 0.00 -1.26 -3.36 119.26 118.04 2q81 h ALA 44 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2q81 h ALA 44 Cb 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2q81 h ALA 44 CO 0.00 0.43 -0.52 0.00 0.00 0.00 0.00 179.25 179.16 2q81 s SER 46 N -1.43 5.54 0.48 0.00 0.15 0.12 -4.28 113.70 114.28 2q81 s SER 46 Ca 0.00 -0.58 0.13 0.00 0.70 0.00 0.00 55.95 56.20 2q81 s SER 46 Cb 0.00 -2.00 1.12 0.00 -1.71 0.00 0.00 66.02 63.43 2q81 s SER 46 CO 0.00 -0.21 2.11 -0.33 1.20 0.00 0.00 173.24 176.01 2q81 h GLU 47 N 8.35 0.21 -0.29 5.44 4.39 -1.49 -1.86 114.58 129.33 2q81 h GLU 47 Ca -0.31 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.40 2q81 h GLU 47 Cb 1.14 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.72 2q81 h GLU 47 CO 0.62 0.14 0.11 -0.92 -1.16 0.00 0.00 179.01 177.80 2q81 h TYR 48 N 0.21 0.21 0.00 4.33 3.20 -1.74 -1.82 116.97 121.35 2q81 h TYR 48 Ca 0.06 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.95 2q81 h TYR 48 Cb -0.01 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.21 2q81 h TYR 48 CO -0.00 0.10 -0.03 1.19 -1.64 0.00 0.00 178.16 177.78 2q81 n PHE 49 N -5.01 0.67 0.13 -3.82 3.72 -1.10 -1.84 117.46 110.21 2q81 n PHE 49 Ca -0.01 0.19 -0.01 0.00 -0.05 0.00 0.00 57.45 57.57 2q81 n PHE 49 Cb 0.09 -0.81 0.20 0.00 -0.94 0.00 0.00 39.48 38.02 2q81 n PHE 49 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2q81 h LYS 50 N 0.00 0.06 0.00 -1.08 1.57 -0.89 -3.40 116.57 112.83 2q81 h LYS 50 Ca 0.00 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 2q81 h LYS 50 Cb 0.67 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 2q81 h LYS 50 CO 0.00 0.60 -1.73 -1.33 -0.57 0.00 0.00 179.45 176.43 2q81 n MET 51 N -3.89 1.39 -4.13 3.15 2.81 -0.73 -4.87 117.12 110.86 2q81 n MET 51 Ca -0.02 -0.05 -0.28 0.00 -1.81 0.00 0.00 57.70 55.55 2q81 n MET 51 Cb 0.57 -1.31 -0.07 0.00 -0.71 0.00 0.00 33.22 31.70 2q81 n MET 51 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2q81 s LEU 52 N -4.49 3.57 -1.41 4.03 1.43 -0.77 -4.56 118.68 116.49 2q81 s LEU 52 Ca -0.05 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 2q81 s LEU 52 Cb 0.05 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 44.04 2q81 s LEU 52 CO 0.51 0.11 0.00 0.49 0.23 0.00 0.00 176.35 177.69 2q81 n PHE 53 N 0.02 0.00 -0.16 0.29 0.99 -1.26 -4.75 117.46 112.59 2q81 n PHE 53 Ca -0.09 0.00 -0.06 0.00 -0.00 0.00 0.00 57.45 57.30 2q81 n PHE 53 Cb 0.54 -2.52 0.04 0.00 -1.00 0.00 0.00 39.48 36.53 2q81 n PHE 53 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 2q81 h VAL 54 N 0.00 1.02 -0.45 -4.37 2.07 -1.89 -2.12 116.25 110.51 2q81 h VAL 54 Ca -0.27 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2q81 h VAL 54 Cb 0.96 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2q81 h VAL 54 CO 0.40 0.10 0.00 -0.90 0.02 0.00 0.00 177.57 177.19 2q81 n ASP 55 N -4.83 2.99 -4.65 0.57 5.75 -1.26 -4.89 116.55 110.23 2q81 n ASP 55 Ca 0.03 -2.17 -0.35 0.00 -0.01 0.00 0.00 54.79 52.29 2q81 n ASP 55 Cb 0.09 -0.41 -0.09 0.00 -1.03 0.00 0.00 41.12 39.68 2q81 n ASP 55 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2q81 s GLN 56 N -1.59 4.02 0.05 0.11 -1.52 -0.80 -5.01 119.66 114.92 2q81 s GLN 56 Ca 0.33 -0.32 -0.26 0.00 -1.95 0.00 0.00 55.36 53.16 2q81 s GLN 56 Cb 0.20 -3.28 -0.17 0.00 -0.22 0.00 0.00 33.01 29.53 2q81 s GLN 56 CO 0.18 0.25 1.51 -0.22 -0.25 0.00 0.00 175.29 176.77 2q81 h LYS 57 N 6.78 -0.30 -6.76 2.91 3.64 -1.90 -3.46 116.57 117.49 2q81 h LYS 57 Ca -0.38 0.02 -0.69 0.00 -1.27 0.00 0.00 60.65 58.33 2q81 h LYS 57 Cb 1.16 0.07 -0.24 0.00 -0.41 0.00 0.00 32.23 32.82 2q81 h LYS 57 CO 0.71 -0.08 -0.86 -0.51 -2.27 0.00 0.00 179.45 176.44 2q81 s ASP 58 N -5.06 3.41 -0.05 4.20 1.01 -1.26 -4.75 116.67 114.17 2q81 s ASP 58 Ca -0.15 -0.60 0.03 0.00 0.71 0.00 0.00 52.55 52.54 2q81 s ASP 58 Cb 0.04 -0.36 0.01 0.00 1.01 0.00 0.00 42.92 43.62 2q81 s ASP 58 CO 0.62 0.23 -0.12 -0.69 0.21 0.00 0.00 175.17 175.42 2q81 s VAL 59 N -0.94 1.04 -0.29 -1.27 1.01 0.34 -5.02 120.40 115.28 2q81 s VAL 59 Ca 0.14 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.67 2q81 s VAL 59 Cb -0.10 -0.93 0.06 0.00 0.00 0.00 0.00 36.38 35.41 2q81 s VAL 59 CO 0.05 0.32 -0.05 -0.69 0.00 0.00 0.00 175.10 174.73 2q81 s VAL 60 N 0.40 2.48 -0.27 2.92 1.01 -1.26 -0.93 120.40 124.74 2q81 s VAL 60 Ca -0.08 -1.64 -0.04 0.00 0.00 0.00 0.00 61.98 60.21 2q81 s VAL 60 Cb -0.12 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.78 2q81 s VAL 60 CO 0.02 -0.13 0.01 -2.28 0.00 0.00 0.00 175.10 172.72 2q81 s HIS 61 N 1.13 3.10 -1.23 5.22 2.46 0.11 -4.98 115.29 121.11 2q81 s HIS 61 Ca -0.05 -1.20 0.12 0.00 0.47 0.00 0.00 55.06 54.40 2q81 s HIS 61 Cb -0.20 -2.16 0.25 0.00 -0.13 0.00 0.00 32.58 30.34 2q81 s HIS 61 CO -0.04 -0.63 1.13 1.28 -2.47 0.00 0.00 174.74 174.01 2q81 n LEU 62 N 4.78 2.65 -0.74 8.88 4.77 -1.26 -1.92 117.00 134.16 2q81 n LEU 62 Ca -0.16 -1.62 0.08 0.00 -0.03 0.00 0.00 56.01 54.28 2q81 n LEU 62 Cb 0.48 -0.16 0.12 0.00 -2.33 0.00 0.00 43.42 41.53 2q81 n LEU 62 CO 0.29 0.61 0.57 0.47 -1.33 0.00 0.00 177.39 178.01 2q81 n ASP 63 N 0.66 2.69 -4.76 -1.43 8.00 -1.26 -4.86 116.55 115.58 2q81 n ASP 63 Ca 0.11 -1.79 -0.41 0.00 0.71 0.00 0.00 54.79 53.41 2q81 n ASP 63 Cb 0.39 -0.12 -0.02 0.00 -0.02 0.00 0.00 41.12 41.36 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 -1.22 2.53 0.01 0.53 -1.09 -1.26 -4.94 121.20 115.77 2q81 s ILE 64 Ca 0.24 0.49 -0.25 0.00 -2.23 0.00 0.00 60.65 58.90 2q81 s ILE 64 Cb 0.15 -3.31 -0.18 0.00 -1.58 0.00 0.00 42.46 37.53 2q81 s ILE 64 CO 0.21 0.10 1.36 0.77 -1.23 0.00 0.00 174.94 176.14 2q81 h SER 65 N 4.10 -0.11 -4.17 3.58 4.64 -1.94 -3.46 113.55 116.19 2q81 h SER 65 Ca -0.48 -0.28 -0.20 0.00 -0.47 0.00 0.00 61.79 60.36 2q81 h SER 65 Cb 1.22 0.03 -0.25 0.00 -0.31 0.00 0.00 62.40 63.09 2q81 h SER 65 CO 0.71 0.23 -0.65 0.54 -0.87 0.00 0.00 176.83 176.79 2q81 s ASN 66 N -5.39 0.02 0.17 4.97 4.22 -1.26 -4.85 114.94 112.82 2q81 s ASN 66 Ca -0.15 -0.07 -0.07 0.00 -2.14 0.00 0.00 52.86 50.43 2q81 s ASN 66 Cb 0.03 0.12 0.03 0.00 1.28 0.00 0.00 41.25 42.71 2q81 s ASN 66 CO 0.63 -0.12 1.48 0.00 -2.04 0.00 0.00 177.10 177.05 2q81 h ALA 67 N 5.55 0.62 -0.19 3.54 0.00 -1.90 -2.84 119.26 124.04 2q81 h ALA 67 Ca -0.27 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.12 2q81 h ALA 67 Cb 1.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2q81 h ALA 67 CO 0.45 0.68 -0.01 0.00 0.00 0.00 0.00 179.25 180.37 2q81 h ALA 68 N 0.86 0.26 -0.72 0.00 0.00 -1.96 0.39 119.26 118.08 2q81 h ALA 68 Ca 0.03 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2q81 h ALA 68 Cb 1.06 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2q81 h ALA 68 CO 0.10 -0.01 0.25 0.78 0.00 0.00 0.00 179.25 180.37 2q81 h GLY 69 N 0.09 1.20 0.81 0.00 0.00 -1.77 -2.09 103.07 101.31 2q81 h GLY 69 Ca 0.05 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 2q81 h GLY 69 CO 0.01 0.65 -0.07 -2.00 0.00 0.00 0.00 176.54 175.13 2q81 h LEU 70 N 1.06 -0.17 -0.68 3.11 5.85 -1.35 -1.50 115.31 121.62 2q81 h LEU 70 Ca 0.24 -0.15 0.15 0.00 0.84 0.00 0.00 57.88 58.95 2q81 h LEU 70 Cb 0.28 0.04 -0.12 0.00 0.37 0.00 0.00 40.66 41.23 2q81 h LEU 70 CO -0.01 0.05 -0.06 1.23 -0.34 0.00 0.00 178.44 179.31 2q81 h GLY 71 N -0.40 0.66 1.00 3.75 0.00 -0.88 0.13 103.07 107.34 2q81 h GLY 71 Ca -0.02 0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.40 2q81 h GLY 71 CO 0.03 -0.25 0.16 1.46 0.00 0.00 0.00 176.54 177.94 2q81 h GLN 72 N 0.07 0.90 -0.32 4.80 4.20 -1.32 0.33 115.11 123.77 2q81 h GLN 72 Ca 0.35 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.81 2q81 h GLN 72 Cb 0.59 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 2q81 h GLN 72 CO -0.64 0.83 0.01 0.28 -0.67 0.00 0.00 178.83 178.64 2q81 h VAL 73 N 0.81 1.25 -0.62 -0.54 2.07 -0.77 -0.84 116.25 117.62 2q81 h VAL 73 Ca 0.18 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.72 2q81 h VAL 73 Cb 0.31 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 2q81 h VAL 73 CO -0.00 0.30 0.14 -0.07 0.02 0.00 0.00 177.57 177.96 2q81 h LEU 74 N 0.36 0.96 -0.66 2.57 3.38 -0.69 -1.31 115.31 119.92 2q81 h LEU 74 Ca 0.09 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.83 2q81 h LEU 74 Cb 0.42 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2q81 h LEU 74 CO 0.01 0.95 0.43 -0.08 0.09 0.00 0.00 178.44 179.84 2q81 h GLU 75 N 0.92 0.84 0.10 1.13 4.57 -0.75 -2.20 114.58 119.20 2q81 h GLU 75 Ca 0.19 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.32 2q81 h GLU 75 Cb 0.38 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 2q81 h GLU 75 CO 0.00 0.56 -0.05 0.35 -1.18 0.00 0.00 179.01 178.69 2q81 h PHE 76 N 0.87 -0.13 -0.97 0.92 3.57 -0.81 -0.42 116.94 119.97 2q81 h PHE 76 Ca 0.25 -0.00 0.22 0.00 3.53 0.00 0.00 57.97 61.96 2q81 h PHE 76 Cb -0.08 0.04 -0.12 0.00 2.79 0.00 0.00 35.95 38.59 2q81 h PHE 76 CO -0.03 -0.06 0.54 0.52 -2.23 0.00 0.00 178.31 177.05 2q81 h MET 77 N -0.16 0.57 0.00 1.11 2.86 -0.76 0.19 114.93 118.73 2q81 h MET 77 Ca -0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2q81 h MET 77 Cb 0.12 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2q81 h MET 77 CO 0.02 0.38 -1.50 0.66 1.06 0.00 0.00 176.91 177.53 2q81 n TYR 78 N -4.89 0.14 -0.10 -0.22 4.01 -0.87 -4.57 117.16 110.66 2q81 n TYR 78 Ca 0.24 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 58.03 2q81 n TYR 78 Cb 0.67 -0.42 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 2q81 n TYR 78 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2q81 n THR 79 N -2.08 0.00 -1.09 -0.72 -2.24 -0.19 -4.72 114.28 103.25 2q81 n THR 79 Ca -0.01 -0.23 -0.03 0.00 -2.27 0.00 0.00 64.05 61.51 2q81 n THR 79 Cb 0.49 1.10 -0.01 0.00 -2.10 0.00 0.00 70.33 69.81 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 -0.37 -0.04 -2.69 6.98 0.00 0.64 -5.00 120.51 120.02 2q81 n ALA 80 Ca 0.00 0.05 -0.37 0.00 0.00 0.00 0.00 53.44 53.12 2q81 n ALA 80 Cb 0.03 -0.99 -0.08 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.60 4.16 -0.19 0.00 -0.14 -1.26 -4.96 119.74 115.76 2q81 s LYS 81 Ca 0.00 -0.06 -0.08 0.00 -1.36 0.00 0.00 55.97 54.47 2q81 s LYS 81 Cb 0.00 -3.49 0.08 0.00 -1.68 0.00 0.00 37.83 32.74 2q81 s LYS 81 CO 0.00 0.13 0.41 -1.17 -0.76 0.00 0.00 175.35 173.96 2q81 s LEU 82 N 0.84 -0.43 -0.14 3.17 2.96 -1.26 -3.25 118.68 120.57 2q81 s LEU 82 Ca 0.12 0.95 -0.01 0.00 -0.22 0.00 0.00 54.13 54.97 2q81 s LEU 82 Cb -0.13 1.34 -0.02 0.00 0.50 0.00 0.00 46.19 47.89 2q81 s LEU 82 CO 0.04 -0.22 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.30 2q81 s SER 83 N 2.12 4.16 -0.14 3.68 0.01 -1.26 -5.11 113.70 117.16 2q81 s SER 83 Ca -0.05 -0.30 -0.00 0.00 1.31 0.00 0.00 55.95 56.91 2q81 s SER 83 Cb -0.10 -1.65 -0.01 0.00 0.21 0.00 0.00 66.02 64.47 2q81 s SER 83 CO -0.13 0.16 -0.14 -0.76 0.41 0.00 0.00 173.24 172.78 2q81 s LEU 84 N 0.42 2.60 0.25 2.44 1.43 -1.26 -4.97 118.68 119.59 2q81 s LEU 84 Ca -0.09 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 2q81 s LEU 84 Cb -0.15 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 2q81 s LEU 84 CO 0.05 0.12 0.16 -0.94 0.23 0.00 0.00 176.35 175.96 2q81 s SER 85 N 0.60 0.80 0.39 2.29 1.04 -1.26 -5.02 113.70 112.55 2q81 s SER 85 Ca -0.08 -1.48 0.28 0.00 0.48 0.00 0.00 55.95 55.15 2q81 s SER 85 Cb -0.16 0.38 1.36 0.00 0.10 0.00 0.00 66.02 67.71 2q81 s SER 85 CO 0.03 -0.87 1.85 1.55 0.98 0.00 0.00 173.24 176.77 2q81 h PRO 86 N 2.43 0.00 0.22 4.02 0.13 -1.99 -1.57 132.00 135.24 2q81 h PRO 86 Ca -0.34 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.78 2q81 h PRO 86 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2q81 h PRO 86 CO 0.51 0.00 -0.10 0.93 -0.23 0.00 0.00 178.00 179.10 2q81 h GLU 87 N 0.00 -0.28 -0.01 0.86 5.08 -2.00 -3.38 114.58 114.84 2q81 h GLU 87 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2q81 h GLU 87 Cb 0.19 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2q81 h GLU 87 CO 0.00 -0.00 -0.19 0.27 -1.00 0.00 0.00 179.01 178.09 2q81 n ASN 88 N -5.10 1.82 0.07 1.42 0.23 -1.16 -4.66 115.26 107.87 2q81 n ASN 88 Ca -0.09 -1.41 0.01 0.00 -0.53 0.00 0.00 54.58 52.56 2q81 n ASN 88 Cb 0.22 0.29 0.36 0.00 -2.08 0.00 0.00 39.78 38.57 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 2.16 1.18 -0.30 3.53 3.04 -1.46 -2.07 116.25 122.33 2q81 h VAL 89 Ca 0.00 -0.78 -0.08 0.00 -1.01 0.00 0.00 66.70 64.83 2q81 h VAL 89 Cb 0.55 1.11 -0.01 0.00 -2.01 0.00 0.00 31.29 30.93 2q81 h VAL 89 CO 0.00 0.25 -0.14 0.44 -1.01 0.00 0.00 177.57 177.12 2q81 h ASP 90 N 0.33 0.64 0.27 3.17 3.32 -1.84 -1.35 116.42 120.95 2q81 h ASP 90 Ca 0.07 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2q81 h ASP 90 Cb 0.35 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2q81 h ASP 90 CO 0.02 0.90 -0.26 0.44 -1.72 0.00 0.00 179.24 178.62 2q81 h ASP 91 N 0.38 -0.68 -0.07 6.45 3.32 -1.79 -2.39 116.42 121.63 2q81 h ASP 91 Ca 0.07 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.19 2q81 h ASP 91 Cb 0.65 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 2q81 h ASP 91 CO 0.04 -0.38 -0.02 0.58 -1.72 0.00 0.00 179.24 177.74 2q81 h VAL 92 N -0.55 0.91 -0.40 -1.35 2.07 -1.40 -3.06 116.25 112.47 2q81 h VAL 92 Ca -0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.53 2q81 h VAL 92 Cb 0.51 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2q81 h VAL 92 CO -0.05 0.00 0.22 0.25 0.02 0.00 0.00 177.57 178.01 2q81 h LEU 93 N -0.01 0.35 -0.67 2.57 5.85 -1.23 -0.08 115.31 122.08 2q81 h LEU 93 Ca 0.04 0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.91 2q81 h LEU 93 Cb 0.07 -0.06 -0.12 0.00 0.37 0.00 0.00 40.66 40.92 2q81 h LEU 93 CO -0.08 0.25 -0.05 0.00 -0.34 0.00 0.00 178.44 178.22 2q81 h ALA 94 N 1.19 0.60 -0.05 1.25 0.00 -1.39 0.92 119.26 121.78 2q81 h ALA 94 Ca 0.16 0.23 -0.13 0.00 0.00 0.00 0.00 54.91 55.17 2q81 h ALA 94 Cb 0.04 0.41 0.01 0.00 0.00 0.00 0.00 17.79 18.25 2q81 h ALA 94 CO -0.09 -0.41 -0.47 0.28 0.00 0.00 0.00 179.25 178.56 2q81 h VAL 95 N 0.07 1.42 -0.77 0.00 2.07 -1.26 -2.64 116.25 115.15 2q81 h VAL 95 Ca 0.35 -1.89 0.01 0.00 0.82 0.00 0.00 66.70 65.99 2q81 h VAL 95 Cb 0.57 2.40 -0.04 0.00 -1.52 0.00 0.00 31.29 32.71 2q81 h VAL 95 CO -0.62 0.55 0.51 0.00 0.02 0.00 0.00 177.57 178.03 2q81 h ALA 96 N 0.39 1.47 0.37 1.67 0.00 -0.75 -0.19 119.26 122.23 2q81 h ALA 96 Ca -0.04 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2q81 h ALA 96 Cb 1.14 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2q81 h ALA 96 CO 0.09 0.48 -0.18 1.15 0.00 0.00 0.00 179.25 180.80 2q81 h THR 97 N 1.02 0.64 -0.61 0.00 2.02 -0.83 0.12 112.91 115.27 2q81 h THR 97 Ca 0.29 -0.24 0.02 0.00 0.77 0.00 0.00 66.41 67.25 2q81 h THR 97 Cb -0.09 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 2q81 h THR 97 CO -0.07 0.05 0.39 0.15 0.37 0.00 0.00 175.52 176.41 2q81 h PHE 98 N -0.64 0.73 -0.02 3.16 3.57 -1.17 -1.86 116.94 120.72 2q81 h PHE 98 Ca -0.05 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2q81 h PHE 98 Cb 0.46 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.96 2q81 h PHE 98 CO -0.02 0.44 0.00 1.28 -2.23 0.00 0.00 178.31 177.78 2q81 n LEU 99 N -4.70 0.69 -3.71 0.59 4.32 -0.11 -4.86 117.00 109.22 2q81 n LEU 99 Ca 0.05 -0.24 -0.26 0.00 -0.02 0.00 0.00 56.01 55.54 2q81 n LEU 99 Cb 0.05 -0.01 0.03 0.00 -1.62 0.00 0.00 43.42 41.87 2q81 n LEU 99 CO 0.34 0.12 -0.10 0.00 -1.22 0.00 0.00 177.39 176.53 2q81 n GLN 100 N -0.44 -2.85 -3.43 3.23 6.02 -0.01 -2.79 117.38 117.11 2q81 n GLN 100 Ca 0.21 0.53 -0.44 0.00 -0.01 0.00 0.00 57.00 57.28 2q81 n GLN 100 Cb 0.21 -4.66 -0.04 0.00 1.02 0.00 0.00 30.24 26.78 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 -5.97 3.45 0.23 -1.09 -1.94 0.21 -2.21 119.30 111.98 2q81 s MET 101 Ca 0.23 -2.62 -0.07 0.00 -1.71 0.00 0.00 55.69 51.52 2q81 s MET 101 Cb -0.07 -4.27 0.28 0.00 2.01 0.00 0.00 34.83 32.77 2q81 s MET 101 CO 0.84 -1.26 1.86 1.96 -0.01 0.00 0.00 175.02 178.42 2q81 h GLN 102 N 7.38 0.97 -0.46 2.03 4.20 -1.83 -1.74 115.11 125.66 2q81 h GLN 102 Ca 0.10 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 2q81 h GLN 102 Cb 0.99 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 2q81 h GLN 102 CO 0.78 0.64 0.19 -0.44 -0.67 0.00 0.00 178.83 179.34 2q81 h ASP 103 N 1.00 0.63 -0.54 1.46 3.32 -1.92 -1.87 116.42 118.50 2q81 h ASP 103 Ca 0.35 -0.16 -0.11 0.00 0.02 0.00 0.00 57.03 57.13 2q81 h ASP 103 Cb 0.08 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 2q81 h ASP 103 CO -0.14 0.61 -0.09 0.40 -1.72 0.00 0.00 179.24 178.31 2q81 h ILE 104 N 0.60 1.27 -0.16 0.35 2.04 -1.82 -1.82 117.51 117.98 2q81 h ILE 104 Ca 0.15 -1.24 0.04 0.00 1.00 0.00 0.00 64.86 64.82 2q81 h ILE 104 Cb 0.17 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 2q81 h ILE 104 CO -0.01 0.44 -0.11 0.40 0.00 0.00 0.00 178.15 178.87 2q81 h ILE 105 N 0.92 0.68 0.00 -0.67 2.04 -1.13 -0.83 117.51 118.51 2q81 h ILE 105 Ca 0.15 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.97 2q81 h ILE 105 Cb 0.65 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 2q81 h ILE 105 CO 0.04 0.00 -0.16 0.71 0.00 0.00 0.00 178.15 178.75 2q81 h THR 106 N -0.11 0.34 -0.12 -0.27 1.35 -1.23 -1.01 112.91 111.86 2q81 h THR 106 Ca 0.10 -1.06 -0.17 0.00 -0.55 0.00 0.00 66.41 64.73 2q81 h THR 106 Cb 0.25 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 68.48 2q81 h THR 106 CO -0.23 0.15 -0.64 0.00 -0.25 0.00 0.00 175.52 174.56 2q81 h ALA 107 N 1.84 0.67 -0.22 6.62 0.00 -0.97 -2.80 119.26 124.39 2q81 h ALA 107 Ca -0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.25 2q81 h ALA 107 Cb 0.80 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2q81 h ALA 107 CO 0.02 0.72 -0.25 0.00 0.00 0.00 0.00 179.25 179.74 2q81 h HIS 109 N 0.25 1.04 -0.71 0.00 3.86 -1.28 -2.51 115.15 115.81 2q81 h HIS 109 Ca 0.03 -0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.25 2q81 h HIS 109 Cb 0.82 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 28.92 2q81 h HIS 109 CO 0.08 0.75 0.47 0.00 0.86 0.00 0.00 177.93 180.09 2q81 h ALA 110 N 1.36 1.62 0.07 2.45 0.00 -1.49 -2.84 119.26 120.42 2q81 h ALA 110 Ca 0.26 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.90 2q81 h ALA 110 Cb 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2q81 h ALA 110 CO -0.04 0.30 -1.11 1.25 0.00 0.00 0.00 179.25 179.65 2q81 h LEU 111 N 0.84 0.28 -0.73 0.00 5.85 -1.39 -3.33 115.31 116.82 2q81 h LEU 111 Ca 0.29 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2q81 h LEU 111 Cb 0.11 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.05 2q81 h LEU 111 CO -0.09 1.20 0.00 0.29 -0.34 0.00 0.00 178.44 179.50 2q81 n LYS 112 N -3.50 0.82 -0.30 1.25 5.02 -0.98 -3.71 118.16 116.76 2q81 n LYS 112 Ca -0.05 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.31 2q81 n LYS 112 Cb 0.96 -1.30 0.13 0.00 -0.02 0.00 0.00 35.03 34.80 2q81 n LYS 112 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2q81 n SER 113 N -0.07 1.82 -4.27 4.39 7.64 -1.25 -5.04 113.62 116.84 2q81 n SER 113 Ca 0.00 -3.03 -0.42 0.00 1.01 0.00 0.00 58.87 56.43 2q81 n SER 113 Cb 0.15 -0.41 -0.08 0.00 -1.01 0.00 0.00 64.21 62.86 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 -2.39 5.61 0.00 -3.43 1.43 -1.24 -5.16 118.68 113.50 2q81 s LEU 114 Ca 0.28 -1.69 0.22 0.00 -1.03 0.00 0.00 54.13 51.91 2q81 s LEU 114 Cb 0.26 -2.06 0.17 0.00 0.03 0.00 0.00 46.19 44.59 2q81 s LEU 114 CO -0.00 -0.67 1.18 0.00 0.23 0.00 0.00 176.35 177.09