#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ha1 n PRO 9 N 0.00 2.55 -0.30 5.31 -0.02 -1.26 -4.84 135.00 136.45 1ha1 n PRO 9 Ca 0.00 0.90 0.14 0.00 -2.02 0.00 0.00 63.50 62.52 1ha1 n PRO 9 Cb 0.00 -2.64 0.31 0.00 -0.02 0.00 0.00 33.50 31.15 1ha1 n PRO 9 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ha1 h GLU 10 N 3.97 0.29 -0.50 -0.52 4.81 -1.97 -0.11 114.58 120.55 1ha1 h GLU 10 Ca -0.48 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 58.85 1ha1 h GLU 10 Cb 1.24 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 1ha1 h GLU 10 CO 0.73 0.19 0.35 0.37 -0.73 0.00 0.00 179.01 179.92 1ha1 h GLN 11 N 0.30 0.17 -0.01 1.92 5.75 -1.95 0.12 115.11 121.41 1ha1 h GLN 11 Ca 0.56 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 59.05 1ha1 h GLN 11 Cb 1.12 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.63 1ha1 h GLN 11 CO -0.59 0.11 -0.05 1.28 -2.65 0.00 0.00 178.83 176.93 1ha1 n LEU 12 N -4.44 0.78 -0.35 -2.39 4.77 -0.06 -3.40 117.00 111.91 1ha1 n LEU 12 Ca 0.08 -0.21 0.04 0.00 -0.03 0.00 0.00 56.01 55.90 1ha1 n LEU 12 Cb 0.45 -0.06 0.10 0.00 -2.33 0.00 0.00 43.42 41.58 1ha1 n LEU 12 CO 0.35 0.14 0.58 0.54 -1.33 0.00 0.00 177.39 177.67 1ha1 n ARG 13 N -0.52 2.77 -4.49 3.23 1.74 0.40 -4.66 116.66 115.13 1ha1 n ARG 13 Ca 0.18 -1.97 -0.34 0.00 -0.77 0.00 0.00 57.85 54.95 1ha1 n ARG 13 Cb 0.27 -1.24 -0.10 0.00 -1.02 0.00 0.00 32.46 30.36 1ha1 n ARG 13 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1ha1 s LYS 14 N -1.38 2.87 -0.10 5.56 2.20 -1.12 0.02 119.74 127.79 1ha1 s LYS 14 Ca 0.17 -0.48 0.02 0.00 -0.36 0.00 0.00 55.97 55.32 1ha1 s LYS 14 Cb 0.11 -2.70 0.01 0.00 -1.51 0.00 0.00 37.83 33.75 1ha1 s LYS 14 CO 0.07 0.68 -0.16 -0.51 -0.36 0.00 0.00 175.35 175.07 1ha1 s LEU 15 N -0.87 1.79 -0.04 5.43 1.43 0.65 -1.99 118.68 125.08 1ha1 s LEU 15 Ca 0.13 -0.43 -0.26 0.00 -1.03 0.00 0.00 54.13 52.54 1ha1 s LEU 15 Cb -0.11 -1.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.98 1ha1 s LEU 15 CO 0.02 0.05 0.81 0.12 0.23 0.00 0.00 176.35 177.58 1ha1 s PHE 16 N 0.77 3.61 -0.30 0.29 2.19 0.16 -1.64 117.98 123.06 1ha1 s PHE 16 Ca -0.11 1.43 0.03 0.00 0.33 0.00 0.00 56.93 58.61 1ha1 s PHE 16 Cb -0.16 -2.93 0.09 0.00 -1.31 0.00 0.00 43.02 38.71 1ha1 s PHE 16 CO 0.02 0.05 0.00 0.42 1.83 0.00 0.00 175.22 177.54 1ha1 s ILE 17 N 0.88 2.01 0.57 3.12 -1.09 0.23 -0.43 121.20 126.49 1ha1 s ILE 17 Ca 0.43 -1.94 0.05 0.00 -2.23 0.00 0.00 60.65 56.97 1ha1 s ILE 17 Cb -0.19 -2.37 0.07 0.00 -1.58 0.00 0.00 42.46 38.39 1ha1 s ILE 17 CO 0.22 -0.41 0.78 -0.83 -1.23 0.00 0.00 174.94 173.47 1ha1 s GLY 18 N 1.09 1.81 -1.19 6.18 0.00 -0.49 -1.20 107.32 113.51 1ha1 s GLY 18 Ca 0.04 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.97 1ha1 s GLY 18 CO -0.09 -1.40 0.00 0.61 0.00 0.00 0.00 173.10 172.22 1ha1 n GLY 19 N -2.30 1.21 3.75 0.20 0.00 -0.86 0.07 105.19 107.26 1ha1 n GLY 19 Ca 0.12 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 1ha1 n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ha1 s LEU 20 N -2.59 3.82 0.27 0.99 1.02 0.21 -4.48 118.68 117.91 1ha1 s LEU 20 Ca 0.00 2.64 -0.29 0.00 0.02 0.00 0.00 54.13 56.49 1ha1 s LEU 20 Cb 0.00 -4.35 -0.09 0.00 0.02 0.00 0.00 46.19 41.77 1ha1 s LEU 20 CO 0.00 -1.53 1.12 -0.55 0.02 0.00 0.00 176.35 175.41 1ha1 s SER 21 N -1.14 7.23 0.52 2.29 0.15 -1.26 -4.68 113.70 116.81 1ha1 s SER 21 Ca 0.72 2.27 0.34 0.00 0.70 0.00 0.00 55.95 59.99 1ha1 s SER 21 Cb -0.37 -2.62 1.86 0.00 -1.71 0.00 0.00 66.02 63.18 1ha1 s SER 21 CO 0.43 -0.19 2.05 -0.26 1.20 0.00 0.00 173.24 176.47 1ha1 h PHE 22 N 4.03 0.00 0.00 3.44 -1.00 -1.93 -0.48 116.94 121.00 1ha1 h PHE 22 Ca -0.46 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.32 1ha1 h PHE 22 Cb 1.21 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.77 1ha1 h PHE 22 CO 0.59 0.00 0.00 1.05 -1.61 0.00 0.00 178.31 178.34 1ha1 h GLU 23 N 0.00 0.00 -6.74 1.51 4.11 -1.95 -3.41 114.58 108.10 1ha1 h GLU 23 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.90 1ha1 h GLU 23 Cb 0.05 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.36 1ha1 h GLU 23 CO 0.00 0.00 0.84 0.99 0.07 0.00 0.00 179.01 180.91 1ha1 s THR 24 N -3.20 2.40 0.43 -1.06 2.01 -0.19 -5.02 115.64 111.02 1ha1 s THR 24 Ca 0.08 0.32 0.06 0.00 0.31 0.00 0.00 61.69 62.47 1ha1 s THR 24 Cb 0.08 -3.21 -0.06 0.00 0.01 0.00 0.00 72.50 69.32 1ha1 s THR 24 CO 0.64 0.05 0.09 0.42 -0.69 0.00 0.00 174.62 175.12 1ha1 s THR 25 N 0.27 1.99 0.20 -0.82 -4.23 -1.26 -4.96 115.64 106.84 1ha1 s THR 25 Ca 0.64 -1.87 -0.10 0.00 -1.18 0.00 0.00 61.69 59.17 1ha1 s THR 25 Cb -0.45 -2.86 0.13 0.00 1.34 0.00 0.00 72.50 70.66 1ha1 s THR 25 CO 0.42 0.00 1.77 0.44 -0.54 0.00 0.00 174.62 176.71 1ha1 h ASP 26 N 1.56 0.36 0.23 3.99 3.32 -1.92 0.30 116.42 124.26 1ha1 h ASP 26 Ca -0.43 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 1ha1 h ASP 26 Cb 1.26 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1ha1 h ASP 26 CO 0.75 0.23 -0.11 -0.33 -1.72 0.00 0.00 179.24 178.06 1ha1 h GLU 27 N 0.51 -0.30 -0.20 3.56 3.07 -1.95 0.36 114.58 119.63 1ha1 h GLU 27 Ca 0.29 0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 59.08 1ha1 h GLU 27 Cb 0.28 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.24 1ha1 h GLU 27 CO -0.24 -0.13 -0.26 0.66 -1.40 0.00 0.00 179.01 177.63 1ha1 h SER 28 N -0.41 0.37 -0.38 1.42 4.64 -1.89 0.19 113.55 117.49 1ha1 h SER 28 Ca -0.03 -0.12 -0.11 0.00 -0.47 0.00 0.00 61.79 61.05 1ha1 h SER 28 Cb 0.31 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1ha1 h SER 28 CO 0.05 0.64 -0.21 0.25 -0.87 0.00 0.00 176.83 176.69 1ha1 h LEU 29 N 0.33 0.84 -0.16 5.97 5.85 -0.26 -1.35 115.31 126.53 1ha1 h LEU 29 Ca 0.05 -0.41 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 1ha1 h LEU 29 Cb 0.64 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1ha1 h LEU 29 CO 0.05 1.07 0.07 -0.09 -0.34 0.00 0.00 178.44 179.20 1ha1 h ARG 30 N 0.62 0.24 -0.90 1.25 2.43 0.12 -1.16 114.38 116.98 1ha1 h ARG 30 Ca 0.08 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1ha1 h ARG 30 Cb 0.77 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.22 1ha1 h ARG 30 CO 0.06 0.31 0.58 0.77 -1.51 0.00 0.00 179.97 180.18 1ha1 h SER 31 N 0.11 0.96 0.77 -3.80 0.02 -0.60 0.11 113.55 111.12 1ha1 h SER 31 Ca 0.05 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.96 1ha1 h SER 31 Cb 0.16 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 62.50 1ha1 h SER 31 CO -0.00 0.65 -0.37 -0.74 -1.14 0.00 0.00 176.83 175.23 1ha1 h HIS 32 N 1.12 -0.96 0.00 3.45 -0.00 -1.03 -3.28 115.15 114.45 1ha1 h HIS 32 Ca 0.36 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.71 1ha1 h HIS 32 Cb 0.02 0.32 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 1ha1 h HIS 32 CO -0.02 -0.60 0.00 0.74 -0.00 0.00 0.00 177.93 178.06 1ha1 h PHE 33 N -1.21 0.00 0.00 5.26 0.04 -0.90 -2.19 116.94 117.95 1ha1 h PHE 33 Ca -0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.66 1ha1 h PHE 33 Cb 0.79 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.94 1ha1 h PHE 33 CO 0.01 0.00 0.00 0.39 -0.60 0.00 0.00 178.31 178.11 1ha1 n GLU 34 N -2.54 0.19 0.30 1.51 1.02 0.36 -1.85 120.64 119.62 1ha1 n GLU 34 Ca 0.01 0.45 0.19 0.00 -0.02 0.00 0.00 57.16 57.79 1ha1 n GLU 34 Cb 0.22 -1.89 0.95 0.00 -0.02 0.00 0.00 31.44 30.70 1ha1 n GLU 34 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1ha1 h GLN 35 N 0.00 0.00 -0.41 3.49 4.15 -1.53 -2.92 115.11 117.90 1ha1 h GLN 35 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1ha1 h GLN 35 Cb 0.32 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1ha1 h GLN 35 CO 0.00 0.02 0.00 0.91 -1.93 0.00 0.00 178.83 177.83 1ha1 n TRP 36 N -3.20 0.55 0.00 3.99 8.01 -0.77 -5.07 117.44 120.94 1ha1 n TRP 36 Ca -0.02 -0.50 0.00 0.00 -1.31 0.00 0.00 57.50 55.67 1ha1 n TRP 36 Cb 0.18 -0.02 0.00 0.00 -2.01 0.00 0.00 31.31 29.46 1ha1 n TRP 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1ha1 n GLY 37 N 0.68 0.16 3.70 6.99 0.00 -1.10 -4.62 105.19 110.99 1ha1 n GLY 37 Ca 0.14 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 1ha1 n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ha1 s THR 38 N -1.79 4.64 -0.26 2.61 2.01 -1.26 -4.40 115.64 117.19 1ha1 s THR 38 Ca 0.00 1.91 -0.11 0.00 0.31 0.00 0.00 61.69 63.80 1ha1 s THR 38 Cb 0.00 -4.23 -0.05 0.00 0.01 0.00 0.00 72.50 68.23 1ha1 s THR 38 CO 0.00 0.06 0.18 -0.76 -0.69 0.00 0.00 174.62 173.41 1ha1 s LEU 39 N 1.66 4.06 0.12 4.42 1.43 -1.26 -0.08 118.68 129.04 1ha1 s LEU 39 Ca 0.52 0.04 0.23 0.00 -1.03 0.00 0.00 54.13 53.89 1ha1 s LEU 39 Cb -0.21 -2.11 0.13 0.00 0.03 0.00 0.00 46.19 44.03 1ha1 s LEU 39 CO 0.23 -0.00 1.13 0.35 0.23 0.00 0.00 176.35 178.28 1ha1 n THR 40 N 4.73 0.38 -3.60 5.49 -2.24 0.19 -4.92 114.28 114.32 1ha1 n THR 40 Ca -0.14 -0.36 -0.15 0.00 -2.27 0.00 0.00 64.05 61.12 1ha1 n THR 40 Cb 0.52 -0.11 -0.06 0.00 -2.10 0.00 0.00 70.33 68.58 1ha1 n THR 40 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ha1 s ASP 41 N -4.53 -0.45 -0.30 3.42 -1.08 -1.09 -4.95 116.67 107.69 1ha1 s ASP 41 Ca 0.03 0.30 -0.12 0.00 -0.52 0.00 0.00 52.55 52.24 1ha1 s ASP 41 Cb 0.12 0.47 0.16 0.00 -1.46 0.00 0.00 42.92 42.21 1ha1 s ASP 41 CO 0.77 -0.64 0.84 0.00 0.52 0.00 0.00 175.17 176.66 1ha1 s VAL 43 N 2.69 0.04 -0.24 0.00 1.01 0.36 -4.84 120.40 119.42 1ha1 s VAL 43 Ca -0.01 0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 1ha1 s VAL 43 Cb -0.09 -0.07 -0.05 0.00 0.00 0.00 0.00 36.38 36.16 1ha1 s VAL 43 CO -0.18 0.04 0.15 -0.69 0.00 0.00 0.00 175.10 174.42 1ha1 s VAL 44 N 0.29 5.29 -0.09 2.92 1.01 -1.26 -0.50 120.40 128.06 1ha1 s VAL 44 Ca -0.02 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 1ha1 s VAL 44 Cb -0.04 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1ha1 s VAL 44 CO -0.01 0.35 1.46 -0.04 0.00 0.00 0.00 175.10 176.86 1ha1 s MET 45 N 1.05 4.22 0.20 2.72 -1.94 0.21 -4.94 119.30 120.82 1ha1 s MET 45 Ca 0.07 1.95 0.11 0.00 -1.71 0.00 0.00 55.69 56.11 1ha1 s MET 45 Cb -0.14 -3.84 -0.04 0.00 2.01 0.00 0.00 34.83 32.82 1ha1 s MET 45 CO 0.04 -0.75 -0.21 1.03 -0.01 0.00 0.00 175.02 175.12 1ha1 s ARG 46 N 3.60 1.63 0.37 2.03 0.52 -1.26 0.37 118.95 126.21 1ha1 s ARG 46 Ca 0.65 -1.49 -0.28 0.00 -0.52 0.00 0.00 55.73 54.08 1ha1 s ARG 46 Cb -0.28 -1.90 -0.10 0.00 0.52 0.00 0.00 34.95 33.19 1ha1 s ARG 46 CO 0.23 0.40 1.34 0.34 0.02 0.00 0.00 175.30 177.63 1ha1 s ASP 47 N -2.76 6.51 0.49 0.23 2.15 0.64 -4.83 116.67 119.10 1ha1 s ASP 47 Ca 0.22 2.75 0.26 0.00 0.43 0.00 0.00 52.55 56.21 1ha1 s ASP 47 Cb -0.08 -2.65 1.25 0.00 -0.30 0.00 0.00 42.92 41.15 1ha1 s ASP 47 CO 0.11 -0.72 1.98 1.55 -0.17 0.00 0.00 175.17 177.92 1ha1 h PRO 48 N 3.05 0.00 0.00 4.34 0.13 -1.96 -1.74 132.00 135.82 1ha1 h PRO 48 Ca -0.50 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.24 1ha1 h PRO 48 Cb 1.24 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.31 1ha1 h PRO 48 CO 0.64 0.17 -2.32 0.09 -0.23 0.00 0.00 178.00 176.35 1ha1 n ASN 49 N -3.57 1.92 0.13 1.44 4.13 -1.26 -4.65 115.26 113.40 1ha1 n ASN 49 Ca -0.01 0.33 0.06 0.00 1.68 0.00 0.00 54.58 56.64 1ha1 n ASN 49 Cb 0.31 -0.79 0.03 0.00 -1.54 0.00 0.00 39.78 37.79 1ha1 n ASN 49 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1ha1 h THR 50 N -0.98 0.44 0.00 3.41 1.35 -1.98 -3.47 112.91 111.68 1ha1 h THR 50 Ca -0.60 -1.68 0.00 0.00 -0.55 0.00 0.00 66.41 63.58 1ha1 h THR 50 Cb 1.52 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 70.03 1ha1 h THR 50 CO -0.36 0.25 0.00 0.29 -0.25 0.00 0.00 175.52 175.44 1ha1 n LYS 51 N -3.04 -1.07 -2.29 4.72 4.76 -0.65 -4.95 118.16 115.63 1ha1 n LYS 51 Ca -0.00 0.27 -0.41 0.00 -2.87 0.00 0.00 58.31 55.30 1ha1 n LYS 51 Cb 0.68 -4.12 -0.03 0.00 -1.84 0.00 0.00 35.03 29.71 1ha1 n LYS 51 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1ha1 s ARG 52 N -1.12 4.46 0.43 1.97 3.52 -1.26 -4.42 118.95 122.54 1ha1 s ARG 52 Ca 0.00 1.98 -0.24 0.00 -0.13 0.00 0.00 55.73 57.34 1ha1 s ARG 52 Cb 0.00 -3.19 -0.10 0.00 -1.56 0.00 0.00 34.95 30.10 1ha1 s ARG 52 CO 0.00 -0.11 1.11 0.45 -0.81 0.00 0.00 175.30 175.94 1ha1 n SER 53 N 2.02 1.71 -0.32 -2.12 2.88 -1.26 -0.26 113.62 116.26 1ha1 n SER 53 Ca 0.03 1.05 0.14 0.00 -1.33 0.00 0.00 58.87 58.76 1ha1 n SER 53 Cb 0.44 -1.41 0.52 0.00 -0.75 0.00 0.00 64.21 63.00 1ha1 n SER 53 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ha1 n ARG 54 N 0.03 1.22 -0.84 -1.46 1.74 0.16 -4.78 116.66 112.73 1ha1 n ARG 54 Ca 0.09 -0.65 0.00 0.00 -0.77 0.00 0.00 57.85 56.52 1ha1 n ARG 54 Cb 0.40 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 1ha1 n ARG 54 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ha1 n GLY 55 N 1.23 0.58 3.49 -0.13 0.00 -1.26 -5.00 105.19 104.10 1ha1 n GLY 55 Ca 0.17 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 1ha1 n GLY 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ha1 s PHE 56 N -2.00 0.07 0.00 1.61 -0.71 -1.26 -0.62 117.98 115.07 1ha1 s PHE 56 Ca 0.00 -0.43 0.00 0.00 -1.04 0.00 0.00 56.93 55.46 1ha1 s PHE 56 Cb 0.00 0.26 0.00 0.00 -1.21 0.00 0.00 43.02 42.07 1ha1 s PHE 56 CO 0.00 -0.89 0.00 0.41 -1.34 0.00 0.00 175.22 173.40 1ha1 n GLY 57 N -0.32 1.78 3.14 1.99 0.00 -0.34 0.68 105.19 112.11 1ha1 n GLY 57 Ca -0.08 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 1ha1 n GLY 57 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ha1 s PHE 58 N -6.53 0.19 -0.01 1.61 -0.12 0.34 -0.60 117.98 112.87 1ha1 s PHE 58 Ca 0.00 -0.52 0.01 0.00 -0.05 0.00 0.00 56.93 56.38 1ha1 s PHE 58 Cb 0.00 -0.13 0.00 0.00 -0.63 0.00 0.00 43.02 42.26 1ha1 s PHE 58 CO 0.00 -0.40 -0.04 0.08 -0.05 0.00 0.00 175.22 174.81 1ha1 s VAL 59 N -2.86 0.37 -0.18 -2.49 1.01 -0.65 -0.48 120.40 115.11 1ha1 s VAL 59 Ca -0.03 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1ha1 s VAL 59 Cb 0.00 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 36.07 1ha1 s VAL 59 CO -0.06 0.12 -0.18 -0.89 0.00 0.00 0.00 175.10 174.09 1ha1 s THR 60 N 0.09 1.93 0.55 3.92 2.01 0.48 -0.25 115.64 124.37 1ha1 s THR 60 Ca -0.01 -0.89 -0.07 0.00 0.31 0.00 0.00 61.69 61.03 1ha1 s THR 60 Cb -0.04 -1.78 -0.03 0.00 0.01 0.00 0.00 72.50 70.66 1ha1 s THR 60 CO -0.00 0.49 0.89 -0.31 -0.69 0.00 0.00 174.62 175.00 1ha1 s TYR 61 N 1.33 3.55 0.23 4.92 2.02 0.10 0.58 117.35 130.08 1ha1 s TYR 61 Ca 0.04 0.97 0.25 0.00 -0.37 0.00 0.00 57.07 57.96 1ha1 s TYR 61 Cb -0.13 -2.51 1.08 0.00 -0.40 0.00 0.00 41.96 40.00 1ha1 s TYR 61 CO -0.12 -0.50 1.90 0.00 -1.57 0.00 0.00 175.55 175.26 1ha1 h ALA 62 N -0.03 1.10 -2.50 3.71 0.00 -0.80 -3.43 119.26 117.31 1ha1 h ALA 62 Ca -0.46 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.15 1ha1 h ALA 62 Cb 1.21 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.83 1ha1 h ALA 62 CO 0.62 0.25 -0.45 0.95 0.00 0.00 0.00 179.25 180.61 1ha1 s THR 63 N -3.82 0.12 0.29 0.00 -4.23 -1.26 -4.94 115.64 101.79 1ha1 s THR 63 Ca -0.01 -1.50 0.06 0.00 -1.18 0.00 0.00 61.69 59.06 1ha1 s THR 63 Cb 0.11 -1.70 0.03 0.00 1.34 0.00 0.00 72.50 72.29 1ha1 s THR 63 CO 0.62 -0.53 1.69 0.58 -0.54 0.00 0.00 174.62 176.44 1ha1 h VAL 64 N 2.75 1.31 -0.40 2.29 2.07 -1.88 -2.34 116.25 120.05 1ha1 h VAL 64 Ca -0.33 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 65.63 1ha1 h VAL 64 Cb 1.20 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 1ha1 h VAL 64 CO 0.55 0.46 0.14 -0.33 0.02 0.00 0.00 177.57 178.41 1ha1 h GLU 65 N 0.23 0.58 -0.17 1.57 5.08 -1.96 -0.05 114.58 119.87 1ha1 h GLU 65 Ca 0.02 -0.08 -0.17 0.00 -1.00 0.00 0.00 59.36 58.13 1ha1 h GLU 65 Cb 0.83 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1ha1 h GLU 65 CO 0.07 0.50 -0.60 0.93 -1.00 0.00 0.00 179.01 178.90 1ha1 h GLU 66 N 0.57 0.56 -0.48 2.33 5.08 -1.71 -1.21 114.58 119.73 1ha1 h GLU 66 Ca 0.14 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1ha1 h GLU 66 Cb 0.16 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1ha1 h GLU 66 CO -0.01 1.00 0.29 0.28 -1.00 0.00 0.00 179.01 179.57 1ha1 h VAL 67 N 0.42 1.15 -0.71 3.13 2.07 -0.79 -0.60 116.25 120.92 1ha1 h VAL 67 Ca -0.00 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.22 1ha1 h VAL 67 Cb 1.16 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 1ha1 h VAL 67 CO 0.11 0.15 0.44 0.44 0.02 0.00 0.00 177.57 178.73 1ha1 h ASP 68 N 0.64 0.72 -0.78 0.57 3.32 -0.79 0.05 116.42 120.14 1ha1 h ASP 68 Ca 0.17 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 1ha1 h ASP 68 Cb -0.01 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 1ha1 h ASP 68 CO -0.03 0.49 0.38 0.00 -1.72 0.00 0.00 179.24 178.36 1ha1 h ALA 69 N 1.31 1.00 -0.49 3.45 0.00 -0.67 0.17 119.26 124.02 1ha1 h ALA 69 Ca 0.29 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1ha1 h ALA 69 Cb 0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1ha1 h ALA 69 CO -0.12 0.56 -0.09 0.00 0.00 0.00 0.00 179.25 179.60 1ha1 h ALA 70 N 1.20 0.67 -0.20 0.00 0.00 -0.28 -1.78 119.26 118.87 1ha1 h ALA 70 Ca 0.27 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1ha1 h ALA 70 Cb 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ha1 h ALA 70 CO -0.04 0.57 -0.44 0.52 0.00 0.00 0.00 179.25 179.86 1ha1 h MET 71 N 0.79 0.50 0.00 0.00 2.07 -0.70 -2.46 114.93 115.12 1ha1 h MET 71 Ca 0.13 -0.27 -0.03 0.00 -2.07 0.00 0.00 59.70 57.46 1ha1 h MET 71 Cb 0.64 0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 30.38 1ha1 h MET 71 CO 0.04 0.85 -0.13 -0.91 1.07 0.00 0.00 176.91 177.83 1ha1 h ASN 72 N 0.40 0.00 -0.30 1.22 2.35 -0.53 -2.51 115.58 116.21 1ha1 h ASN 72 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1ha1 h ASN 72 Cb 0.94 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.31 1ha1 h ASN 72 CO 0.08 0.13 0.00 0.00 -1.65 0.00 0.00 177.43 175.99 1ha1 n ALA 73 N -2.20 2.64 -1.84 -0.83 0.00 -0.68 -4.91 120.51 112.69 1ha1 n ALA 73 Ca -0.01 -0.65 -0.31 0.00 0.00 0.00 0.00 53.44 52.47 1ha1 n ALA 73 Cb 0.32 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1ha1 n ALA 73 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ha1 s ARG 74 N -1.63 3.62 0.30 0.00 0.52 -0.95 -4.28 118.95 116.54 1ha1 s ARG 74 Ca 0.22 0.81 -0.28 0.00 -0.52 0.00 0.00 55.73 55.96 1ha1 s ARG 74 Cb 0.13 -2.08 -0.09 0.00 0.52 0.00 0.00 34.95 33.42 1ha1 s ARG 74 CO 0.12 -0.55 1.09 -2.14 0.02 0.00 0.00 175.30 173.84 1ha1 s PRO 75 N -4.92 4.55 -0.17 3.54 0.02 -1.26 -5.10 135.00 131.65 1ha1 s PRO 75 Ca 0.56 1.74 -0.12 0.00 0.02 0.00 0.00 61.00 63.21 1ha1 s PRO 75 Cb -0.11 -3.06 -0.05 0.00 0.02 0.00 0.00 34.50 31.30 1ha1 s PRO 75 CO 0.49 0.14 0.21 -1.01 -0.33 0.00 0.00 177.00 176.51 1ha1 s HIS 76 N -1.26 3.45 -0.34 6.54 3.76 -1.26 -5.04 115.29 121.14 1ha1 s HIS 76 Ca 0.47 0.48 -0.04 0.00 -0.15 0.00 0.00 55.06 55.82 1ha1 s HIS 76 Cb -0.30 -2.24 0.06 0.00 1.11 0.00 0.00 32.58 31.22 1ha1 s HIS 76 CO 0.38 0.29 0.09 0.21 -0.85 0.00 0.00 174.74 174.87 1ha1 s LYS 77 N 0.32 2.38 -0.25 1.40 2.20 -1.26 -1.42 119.74 123.11 1ha1 s LYS 77 Ca 0.13 -1.40 -0.05 0.00 -0.36 0.00 0.00 55.97 54.29 1ha1 s LYS 77 Cb -0.12 -3.39 -0.00 0.00 -1.51 0.00 0.00 37.83 32.81 1ha1 s LYS 77 CO 0.01 -0.77 0.01 0.08 -0.36 0.00 0.00 175.35 174.32 1ha1 s VAL 78 N 1.27 3.63 -1.41 4.02 1.01 0.16 -4.56 120.40 124.53 1ha1 s VAL 78 Ca -0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 1ha1 s VAL 78 Cb -0.21 -2.75 0.04 0.00 0.00 0.00 0.00 36.38 33.47 1ha1 s VAL 78 CO -0.01 0.29 0.95 0.47 0.00 0.00 0.00 175.10 176.80 1ha1 n ASP 79 N 4.82 -3.88 0.00 3.32 8.00 -1.26 -1.62 116.55 125.94 1ha1 n ASP 79 Ca -0.17 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 54.60 1ha1 n ASP 79 Cb 0.50 -4.24 0.00 0.00 -0.02 0.00 0.00 41.12 37.35 1ha1 n ASP 79 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ha1 n GLY 80 N -1.68 0.71 3.27 0.44 0.00 -1.26 -4.87 105.19 101.80 1ha1 n GLY 80 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 1ha1 n GLY 80 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ha1 s ARG 81 N -0.19 2.48 -0.28 1.61 3.52 -0.64 -5.04 118.95 120.41 1ha1 s ARG 81 Ca 0.00 -0.90 -0.29 0.00 -0.13 0.00 0.00 55.73 54.41 1ha1 s ARG 81 Cb 0.00 -2.12 0.01 0.00 -1.56 0.00 0.00 34.95 31.28 1ha1 s ARG 81 CO 0.00 0.39 1.09 0.08 -0.81 0.00 0.00 175.30 176.05 1ha1 s VAL 82 N -0.20 4.53 0.49 7.11 1.01 -1.26 0.38 120.40 132.47 1ha1 s VAL 82 Ca -0.02 1.80 0.07 0.00 0.00 0.00 0.00 61.98 63.83 1ha1 s VAL 82 Cb -0.13 -4.34 0.04 0.00 0.00 0.00 0.00 36.38 31.94 1ha1 s VAL 82 CO 0.03 -0.36 0.67 0.68 0.00 0.00 0.00 175.10 176.13 1ha1 s VAL 83 N 3.53 2.69 -0.47 2.92 -7.23 -0.51 -4.85 120.40 116.48 1ha1 s VAL 83 Ca 0.46 -0.94 0.03 0.00 -1.81 0.00 0.00 61.98 59.72 1ha1 s VAL 83 Cb -0.14 -2.75 0.13 0.00 0.56 0.00 0.00 36.38 34.18 1ha1 s VAL 83 CO 0.13 0.00 0.23 -0.70 -0.31 0.00 0.00 175.10 174.44 1ha1 s GLU 84 N -4.52 1.72 0.15 4.82 2.12 0.11 -4.58 118.70 118.53 1ha1 s GLU 84 Ca 0.58 -2.35 -0.30 0.00 0.36 0.00 0.00 54.97 53.25 1ha1 s GLU 84 Cb -0.09 -3.04 -0.07 0.00 0.26 0.00 0.00 34.13 31.19 1ha1 s GLU 84 CO 0.36 -1.10 1.06 -2.14 -0.54 0.00 0.00 175.26 172.90 1ha1 s PRO 85 N 0.05 4.62 -0.05 4.30 0.02 -1.25 -1.40 135.00 141.28 1ha1 s PRO 85 Ca 0.16 1.64 -0.06 0.00 0.02 0.00 0.00 61.00 62.76 1ha1 s PRO 85 Cb -0.25 -3.31 0.01 0.00 0.02 0.00 0.00 34.50 30.98 1ha1 s PRO 85 CO -0.02 0.10 0.17 0.15 -0.33 0.00 0.00 177.00 177.08 1ha1 s LYS 86 N -0.21 0.25 0.38 5.54 1.02 0.43 -4.97 119.74 122.19 1ha1 s LYS 86 Ca 0.49 0.13 -0.26 0.00 0.02 0.00 0.00 55.97 56.35 1ha1 s LYS 86 Cb -0.28 0.12 -0.09 0.00 -0.52 0.00 0.00 37.83 37.06 1ha1 s LYS 86 CO 0.33 -0.04 1.21 1.03 -0.92 0.00 0.00 175.35 176.96 1ha1 s ARG 87 N -0.17 4.11 0.33 1.68 0.52 -1.26 0.38 118.95 124.54 1ha1 s ARG 87 Ca -0.03 1.95 -0.29 0.00 -0.52 0.00 0.00 55.73 56.85 1ha1 s ARG 87 Cb -0.02 -2.77 -0.10 0.00 0.52 0.00 0.00 34.95 32.57 1ha1 s ARG 87 CO 0.00 -0.30 1.36 0.00 0.02 0.00 0.00 175.30 176.38 1ha1 s ALA 88 N -1.33 3.53 -0.27 2.13 0.00 -0.84 -4.77 121.76 120.20 1ha1 s ALA 88 Ca 0.55 1.33 -0.33 0.00 0.00 0.00 0.00 51.96 53.51 1ha1 s ALA 88 Cb -0.33 -3.52 -0.10 0.00 0.00 0.00 0.00 23.12 19.17 1ha1 s ALA 88 CO 0.43 -0.74 2.14 1.33 0.00 0.00 0.00 175.76 178.92 1ha1 n VAL 89 N 0.96 0.29 0.00 0.00 0.24 -1.26 -4.78 118.33 113.78 1ha1 n VAL 89 Ca 0.01 -0.29 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 1ha1 n VAL 89 Cb 0.41 -1.91 0.00 0.00 -1.47 0.00 0.00 33.84 30.87 1ha1 n VAL 89 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1ha1 n SER 90 N 9.78 0.00 -4.63 -1.34 3.41 -1.26 -4.52 113.62 115.05 1ha1 n SER 90 Ca 0.35 0.37 -0.43 0.00 -0.26 0.00 0.00 58.87 58.90 1ha1 n SER 90 Cb 0.29 -0.38 -0.02 0.00 -0.26 0.00 0.00 64.21 63.84 1ha1 n SER 90 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1ha1 s ARG 91 N -0.76 3.95 0.23 4.33 3.52 -1.26 -5.18 118.95 123.79 1ha1 s ARG 91 Ca 0.00 1.35 -0.16 0.00 -0.13 0.00 0.00 55.73 56.79 1ha1 s ARG 91 Cb 0.00 -3.88 -0.08 0.00 -1.56 0.00 0.00 34.95 29.43 1ha1 s ARG 91 CO 0.00 -1.07 0.67 -1.83 -0.81 0.00 0.00 175.30 172.26 1ha1 s GLU 92 N 4.12 4.08 2.33 5.12 1.03 -1.26 -4.95 118.70 129.17 1ha1 s GLU 92 Ca 0.58 0.67 0.00 0.00 0.03 0.00 0.00 54.97 56.24 1ha1 s GLU 92 Cb -0.18 -2.74 0.00 0.00 -0.80 0.00 0.00 34.13 30.40 1ha1 s GLU 92 CO 0.22 0.34 0.00 0.00 -1.33 0.00 0.00 175.26 174.49 1ha1 n ALA 99 N 0.35 0.00 -3.52 -0.84 0.00 -1.26 -5.22 120.51 110.02 1ha1 n ALA 99 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.46 1ha1 n ALA 99 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 1ha1 n ALA 99 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1ha1 s HIS 100 N 0.00 -0.00 -0.75 0.00 2.46 -1.26 -4.63 115.29 111.11 1ha1 s HIS 100 Ca 0.00 0.00 -0.12 0.00 0.47 0.00 0.00 55.06 55.42 1ha1 s HIS 100 Cb 0.00 0.00 0.20 0.00 -0.13 0.00 0.00 32.58 32.65 1ha1 s HIS 100 CO 0.00 -0.00 0.66 -1.17 -2.47 0.00 0.00 174.74 171.76 1ha1 s LEU 101 N 1.26 6.37 -1.03 8.88 2.96 -1.26 -5.00 118.68 130.85 1ha1 s LEU 101 Ca -0.06 -2.63 -0.23 0.00 -0.22 0.00 0.00 54.13 51.00 1ha1 s LEU 101 Cb -0.01 -2.13 0.05 0.00 0.50 0.00 0.00 46.19 44.60 1ha1 s LEU 101 CO -0.11 -0.56 1.45 -0.89 -1.32 0.00 0.00 176.35 174.93 1ha1 s THR 102 N 0.27 3.96 0.21 3.68 2.01 -1.26 -4.96 115.64 119.55 1ha1 s THR 102 Ca 0.16 -0.85 0.11 0.00 0.31 0.00 0.00 61.69 61.43 1ha1 s THR 102 Cb -0.14 -5.06 -0.05 0.00 0.01 0.00 0.00 72.50 67.26 1ha1 s THR 102 CO -0.07 -1.93 -0.22 0.68 -0.69 0.00 0.00 174.62 172.40 1ha1 s VAL 103 N 4.87 2.47 -2.04 3.82 -7.23 -1.26 -5.01 120.40 116.01 1ha1 s VAL 103 Ca 0.46 -2.07 0.19 0.00 -1.81 0.00 0.00 61.98 58.75 1ha1 s VAL 103 Cb 0.00 -2.21 0.06 0.00 0.56 0.00 0.00 36.38 34.80 1ha1 s VAL 103 CO -0.09 -0.17 1.03 0.29 -0.31 0.00 0.00 175.10 175.84 1ha1 n LYS 104 N 0.07 1.61 -4.64 4.82 5.02 -1.26 -4.32 118.16 119.45 1ha1 n LYS 104 Ca -0.11 -1.23 -0.34 0.00 -2.02 0.00 0.00 58.31 54.61 1ha1 n LYS 104 Cb 0.57 -1.37 -0.11 0.00 -0.02 0.00 0.00 35.03 34.10 1ha1 n LYS 104 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1ha1 s LYS 105 N -1.92 2.71 0.09 1.97 2.20 -1.26 -1.16 119.74 122.36 1ha1 s LYS 105 Ca 0.19 -0.58 0.09 0.00 -0.36 0.00 0.00 55.97 55.31 1ha1 s LYS 105 Cb 0.16 -2.56 -0.03 0.00 -1.51 0.00 0.00 37.83 33.88 1ha1 s LYS 105 CO 0.37 0.66 -0.23 0.96 -0.36 0.00 0.00 175.35 176.75 1ha1 s ILE 106 N -0.81 1.87 -0.16 5.43 -4.36 -0.01 -0.26 121.20 122.89 1ha1 s ILE 106 Ca 0.13 -1.51 -0.08 0.00 -0.26 0.00 0.00 60.65 58.92 1ha1 s ILE 106 Cb -0.11 -1.66 -0.04 0.00 1.25 0.00 0.00 42.46 41.89 1ha1 s ILE 106 CO 0.02 0.06 0.13 0.12 0.24 0.00 0.00 174.94 175.51 1ha1 s PHE 107 N -1.04 3.50 -0.28 1.37 2.19 0.27 -1.27 117.98 122.73 1ha1 s PHE 107 Ca 0.09 0.42 0.02 0.00 0.33 0.00 0.00 56.93 57.79 1ha1 s PHE 107 Cb -0.10 -2.04 0.08 0.00 -1.31 0.00 0.00 43.02 39.65 1ha1 s PHE 107 CO 0.04 0.51 -0.01 0.08 1.83 0.00 0.00 175.22 177.68 1ha1 s VAL 108 N -0.35 1.68 0.30 3.12 1.01 0.77 -1.53 120.40 125.40 1ha1 s VAL 108 Ca 0.11 -1.59 0.06 0.00 0.00 0.00 0.00 61.98 60.57 1ha1 s VAL 108 Cb -0.12 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 1ha1 s VAL 108 CO 0.01 -0.33 0.39 -0.83 0.00 0.00 0.00 175.10 174.34 1ha1 s GLY 109 N 1.27 1.49 -0.18 4.51 0.00 0.95 -0.61 107.32 114.76 1ha1 s GLY 109 Ca 0.01 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.32 1ha1 s GLY 109 CO -0.10 -1.37 0.00 0.61 0.00 0.00 0.00 173.10 172.24 1ha1 n GLY 110 N -1.50 0.43 0.03 0.20 0.00 -0.71 -1.62 105.19 102.02 1ha1 n GLY 110 Ca -0.04 -0.93 0.12 0.00 0.00 0.00 0.00 46.02 45.17 1ha1 n GLY 110 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1ha1 n ILE 111 N -3.37 0.19 -4.74 -0.61 -5.35 -0.48 -4.60 119.36 100.41 1ha1 n ILE 111 Ca -0.02 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1ha1 n ILE 111 Cb 0.24 0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.18 1ha1 n ILE 111 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1ha1 n LYS 112 N -1.84 0.00 -0.57 6.28 4.76 -1.22 -3.57 118.16 122.00 1ha1 n LYS 112 Ca 0.04 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.48 1ha1 n LYS 112 Cb 0.40 0.00 0.20 0.00 -1.84 0.00 0.00 35.03 33.79 1ha1 n LYS 112 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1ha1 n GLU 113 N -0.60 2.88 0.00 1.97 1.02 -1.26 -3.50 120.64 121.15 1ha1 n GLU 113 Ca 0.00 -1.80 0.00 0.00 -0.02 0.00 0.00 57.16 55.34 1ha1 n GLU 113 Cb 0.00 -1.88 0.00 0.00 -0.02 0.00 0.00 31.44 29.54 1ha1 n GLU 113 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1ha1 n ASP 114 N 0.16 0.04 -4.58 1.62 5.75 -1.26 -4.90 116.55 113.38 1ha1 n ASP 114 Ca 0.21 -1.02 -0.40 0.00 -0.01 0.00 0.00 54.79 53.57 1ha1 n ASP 114 Cb 0.90 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.89 1ha1 n ASP 114 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1ha1 s THR 115 N -0.02 5.18 0.55 2.12 2.01 -1.23 -5.06 115.64 119.18 1ha1 s THR 115 Ca 0.00 0.34 0.05 0.00 0.31 0.00 0.00 61.69 62.39 1ha1 s THR 115 Cb 0.00 -3.74 0.06 0.00 0.01 0.00 0.00 72.50 68.83 1ha1 s THR 115 CO 0.00 0.06 0.75 -1.61 -0.69 0.00 0.00 174.62 173.14 1ha1 s GLU 116 N 2.04 2.41 0.26 4.92 8.01 -1.26 -5.00 118.70 130.09 1ha1 s GLU 116 Ca 0.13 -1.22 -0.01 0.00 0.01 0.00 0.00 54.97 53.88 1ha1 s GLU 116 Cb -0.16 -2.59 0.55 0.00 -4.31 0.00 0.00 34.13 27.62 1ha1 s GLU 116 CO 0.11 -0.75 1.74 1.49 0.01 0.00 0.00 175.26 177.86 1ha1 h GLU 117 N 0.17 0.53 0.00 1.61 4.81 -1.97 0.24 114.58 119.97 1ha1 h GLU 117 Ca -0.37 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.78 1ha1 h GLU 117 Cb 1.28 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1ha1 h GLU 117 CO 0.45 0.35 -0.25 1.12 -0.73 0.00 0.00 179.01 179.95 1ha1 h HIS 118 N 0.54 0.00 -0.07 0.92 2.07 -1.98 -0.18 115.15 116.45 1ha1 h HIS 118 Ca 0.47 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.98 1ha1 h HIS 118 Cb 0.72 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.69 1ha1 h HIS 118 CO -0.12 0.25 0.01 0.45 -3.07 0.00 0.00 177.93 175.45 1ha1 h HIS 119 N 0.00 0.13 -0.21 6.12 3.86 -1.34 -1.18 115.15 122.53 1ha1 h HIS 119 Ca -0.00 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 1ha1 h HIS 119 Cb 0.61 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.03 1ha1 h HIS 119 CO 0.00 0.36 0.07 -0.07 0.86 0.00 0.00 177.93 179.15 1ha1 h LEU 120 N -0.14 0.30 0.20 2.43 3.38 -1.25 -2.19 115.31 118.04 1ha1 h LEU 120 Ca 0.02 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1ha1 h LEU 120 Cb 0.30 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1ha1 h LEU 120 CO 0.00 0.42 -0.18 -0.09 0.09 0.00 0.00 178.44 178.69 1ha1 h ARG 121 N 0.17 -0.38 -0.89 1.13 2.43 -1.06 0.30 114.38 116.07 1ha1 h ARG 121 Ca 0.07 0.03 0.18 0.00 -0.81 0.00 0.00 59.98 59.44 1ha1 h ARG 121 Cb 0.23 0.09 -0.11 0.00 -0.42 0.00 0.00 29.97 29.76 1ha1 h ARG 121 CO -0.00 -0.25 0.45 -0.44 -1.51 0.00 0.00 179.97 178.22 1ha1 h ASP 122 N -0.40 0.51 0.05 -3.80 3.32 -1.15 0.14 116.42 115.08 1ha1 h ASP 122 Ca -0.00 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1ha1 h ASP 122 Cb 0.37 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1ha1 h ASP 122 CO -0.03 0.15 -0.02 0.22 -1.72 0.00 0.00 179.24 177.84 1ha1 h TYR 123 N 0.57 -0.06 0.00 4.55 3.20 -1.08 -3.40 116.97 120.76 1ha1 h TYR 123 Ca 0.52 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.39 1ha1 h TYR 123 Cb 0.84 0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.13 1ha1 h TYR 123 CO -0.09 0.25 0.00 0.74 -1.64 0.00 0.00 178.16 177.42 1ha1 h PHE 124 N -1.00 0.00 0.00 -3.82 0.04 -0.28 -3.26 116.94 108.62 1ha1 h PHE 124 Ca -0.01 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 1ha1 h PHE 124 Cb 0.33 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 1ha1 h PHE 124 CO 0.08 0.00 -0.19 1.05 -0.60 0.00 0.00 178.31 178.65 1ha1 h GLU 125 N 0.00 0.00 0.00 1.51 4.11 -0.89 -1.40 114.58 117.91 1ha1 h GLU 125 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ha1 h GLU 125 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1ha1 h GLU 125 CO 0.00 0.19 0.00 1.04 0.07 0.00 0.00 179.01 180.31 1ha1 n GLN 126 N -3.75 0.26 -0.06 1.06 6.02 -1.23 -2.50 117.38 117.18 1ha1 n GLN 126 Ca -0.02 0.09 -0.10 0.00 -0.01 0.00 0.00 57.00 56.97 1ha1 n GLN 126 Cb 0.30 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 29.90 1ha1 n GLN 126 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1ha1 n TYR 127 N -1.32 0.45 0.00 1.08 4.01 -0.53 -5.08 117.16 115.77 1ha1 n TYR 127 Ca 0.10 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 58.00 1ha1 n TYR 127 Cb 0.19 -1.08 0.00 0.00 -0.31 0.00 0.00 39.34 38.13 1ha1 n TYR 127 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ha1 n GLY 128 N 1.67 -0.33 3.66 2.72 0.00 -1.04 -4.30 105.19 107.57 1ha1 n GLY 128 Ca -0.26 -1.07 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 1ha1 n GLY 128 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ha1 s LYS 129 N -2.00 4.24 0.01 1.61 2.20 -1.26 -4.38 119.74 120.16 1ha1 s LYS 129 Ca 0.00 1.68 -0.23 0.00 -0.36 0.00 0.00 55.97 57.06 1ha1 s LYS 129 Cb 0.00 -3.76 -0.05 0.00 -1.51 0.00 0.00 37.83 32.51 1ha1 s LYS 129 CO 0.00 -0.70 0.68 0.42 -0.36 0.00 0.00 175.35 175.40 1ha1 s ILE 130 N 3.44 4.85 -0.12 5.43 1.01 -1.26 -0.68 121.20 133.87 1ha1 s ILE 130 Ca 0.55 1.44 0.04 0.00 0.00 0.00 0.00 60.65 62.68 1ha1 s ILE 130 Cb -0.22 -4.02 -0.10 0.00 0.01 0.00 0.00 42.46 38.12 1ha1 s ILE 130 CO 0.16 0.37 -0.05 -0.62 0.00 0.00 0.00 174.94 174.80 1ha1 n GLU 131 N 2.89 1.15 -3.76 2.79 1.02 0.85 -4.88 120.64 120.70 1ha1 n GLU 131 Ca -0.04 0.04 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1ha1 n GLU 131 Cb 0.51 -1.26 -0.14 0.00 -0.02 0.00 0.00 31.44 30.53 1ha1 n GLU 131 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1ha1 s VAL 132 N -2.25 -0.04 -0.18 2.62 1.01 -0.84 -4.98 120.40 115.74 1ha1 s VAL 132 Ca -0.12 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.02 1ha1 s VAL 132 Cb 0.04 -0.24 0.02 0.00 0.00 0.00 0.00 36.38 36.19 1ha1 s VAL 132 CO 0.34 0.06 -0.20 -0.63 0.00 0.00 0.00 175.10 174.68 1ha1 s ILE 133 N 1.02 2.11 -0.56 2.22 1.01 -1.26 -0.17 121.20 125.57 1ha1 s ILE 133 Ca -0.08 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.68 1ha1 s ILE 133 Cb -0.10 -1.88 0.14 0.00 0.01 0.00 0.00 42.46 40.63 1ha1 s ILE 133 CO -0.05 0.54 0.31 -1.61 0.00 0.00 0.00 174.94 174.13 1ha1 s GLU 134 N 1.27 2.11 -0.29 2.79 2.02 0.16 -4.96 118.70 121.80 1ha1 s GLU 134 Ca 0.04 -2.72 -0.28 0.00 0.02 0.00 0.00 54.97 52.03 1ha1 s GLU 134 Cb -0.13 -3.38 0.01 0.00 0.10 0.00 0.00 34.13 30.73 1ha1 s GLU 134 CO -0.12 -1.14 1.01 -1.50 0.02 0.00 0.00 175.26 173.53 1ha1 s ILE 135 N -0.44 4.61 0.09 -1.63 1.10 -1.26 -0.46 121.20 123.21 1ha1 s ILE 135 Ca 0.18 1.73 -0.31 0.00 -0.51 0.00 0.00 60.65 61.74 1ha1 s ILE 135 Cb -0.23 -4.33 -0.07 0.00 0.15 0.00 0.00 42.46 37.98 1ha1 s ILE 135 CO -0.02 -0.34 1.31 -0.04 -2.11 0.00 0.00 174.94 173.73 1ha1 s MET 136 N 3.38 4.37 0.16 3.50 -1.94 0.58 -4.96 119.30 124.39 1ha1 s MET 136 Ca 0.43 1.94 0.08 0.00 -1.71 0.00 0.00 55.69 56.43 1ha1 s MET 136 Cb -0.13 -3.30 -0.04 0.00 2.01 0.00 0.00 34.83 33.37 1ha1 s MET 136 CO 0.12 -0.37 -0.18 0.95 -0.01 0.00 0.00 175.02 175.53 1ha1 s THR 137 N 1.12 1.79 0.27 2.05 -4.23 -1.26 1.00 115.64 116.37 1ha1 s THR 137 Ca 0.62 -1.91 -0.30 0.00 -1.18 0.00 0.00 61.69 58.92 1ha1 s THR 137 Cb -0.34 -1.83 -0.10 0.00 1.34 0.00 0.00 72.50 71.57 1ha1 s THR 137 CO 0.30 -0.33 1.47 -0.62 -0.54 0.00 0.00 174.62 174.90 1ha1 s ASP 138 N -2.67 6.59 0.38 3.99 -1.08 0.36 -4.79 116.67 119.46 1ha1 s ASP 138 Ca 0.15 2.74 0.09 0.00 -0.52 0.00 0.00 52.55 55.01 1ha1 s ASP 138 Cb -0.06 -2.63 0.78 0.00 -1.46 0.00 0.00 42.92 39.55 1ha1 s ASP 138 CO 0.06 -0.74 1.93 0.03 0.52 0.00 0.00 175.17 176.97 1ha1 h ARG 139 N 4.84 0.31 0.08 4.34 -0.00 -1.95 0.26 114.38 122.26 1ha1 h ARG 139 Ca -0.46 -0.06 -0.24 0.00 -0.50 0.00 0.00 59.98 58.71 1ha1 h ARG 139 Cb 1.22 -0.05 -0.01 0.00 0.00 0.00 0.00 29.97 31.13 1ha1 h ARG 139 CO 0.77 0.39 -1.24 0.78 0.00 0.00 0.00 179.97 180.67 1ha1 h GLY 140 N 0.70 0.20 0.29 0.04 0.00 -1.98 -3.41 103.07 98.90 1ha1 h GLY 140 Ca 0.07 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 46.80 1ha1 h GLY 140 CO 0.01 0.45 -1.82 -1.14 0.00 0.00 0.00 176.54 174.04 1ha1 n SER 141 N -4.08 0.25 0.00 0.19 3.41 -1.23 -4.99 113.62 107.17 1ha1 n SER 141 Ca -0.25 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 1ha1 n SER 141 Cb 0.82 1.35 0.00 0.00 -0.26 0.00 0.00 64.21 66.12 1ha1 n SER 141 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ha1 n GLY 142 N 1.34 0.93 3.73 5.00 0.00 0.90 -4.95 105.19 112.15 1ha1 n GLY 142 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 1ha1 n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ha1 s LYS 143 N -0.17 4.40 0.24 1.61 1.02 -1.26 -4.37 119.74 121.21 1ha1 s LYS 143 Ca 0.00 2.02 -0.31 0.00 0.02 0.00 0.00 55.97 57.70 1ha1 s LYS 143 Cb 0.00 -3.21 -0.13 0.00 -0.52 0.00 0.00 37.83 33.97 1ha1 s LYS 143 CO 0.00 -0.24 1.45 1.63 -0.92 0.00 0.00 175.35 177.26 1ha1 n LYS 144 N 2.75 2.15 0.00 1.68 5.02 -1.26 0.14 118.16 128.64 1ha1 n LYS 144 Ca 0.06 0.77 0.13 0.00 -2.02 0.00 0.00 58.31 57.25 1ha1 n LYS 144 Cb 0.43 -2.45 0.44 0.00 -0.02 0.00 0.00 35.03 33.43 1ha1 n LYS 144 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ha1 n ARG 145 N 2.13 1.34 -0.55 1.97 1.74 0.28 -4.68 116.66 118.90 1ha1 n ARG 145 Ca 0.11 -0.80 0.00 0.00 -0.77 0.00 0.00 57.85 56.39 1ha1 n ARG 145 Cb 0.32 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1ha1 n ARG 145 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ha1 n GLY 146 N 1.25 0.73 3.22 -0.13 0.00 -1.23 -4.88 105.19 104.16 1ha1 n GLY 146 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 1ha1 n GLY 146 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ha1 s PHE 147 N -2.08 0.01 0.19 1.61 -0.71 -1.26 -1.38 117.98 114.35 1ha1 s PHE 147 Ca 0.00 -0.26 -0.01 0.00 -1.04 0.00 0.00 56.93 55.62 1ha1 s PHE 147 Cb 0.00 0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.80 1ha1 s PHE 147 CO 0.00 -0.50 0.12 0.00 -1.34 0.00 0.00 175.22 173.50 1ha1 s ALA 148 N -2.96 1.08 -0.06 1.99 0.00 0.22 -0.31 121.76 121.73 1ha1 s ALA 148 Ca -0.02 -1.64 0.03 0.00 0.00 0.00 0.00 51.96 50.33 1ha1 s ALA 148 Cb 0.01 1.27 0.01 0.00 0.00 0.00 0.00 23.12 24.41 1ha1 s ALA 148 CO -0.06 -0.57 -0.13 -0.06 0.00 0.00 0.00 175.76 174.94 1ha1 s PHE 149 N -4.13 1.44 -0.08 0.00 0.08 0.39 -0.16 117.98 115.51 1ha1 s PHE 149 Ca 0.36 -0.49 0.05 0.00 0.12 0.00 0.00 56.93 56.96 1ha1 s PHE 149 Cb 0.07 -1.04 -0.01 0.00 -0.57 0.00 0.00 43.02 41.48 1ha1 s PHE 149 CO 0.10 -0.24 -0.24 0.08 -0.10 0.00 0.00 175.22 174.82 1ha1 s VAL 150 N 0.50 2.10 -0.14 -0.44 1.01 -0.40 0.37 120.40 123.40 1ha1 s VAL 150 Ca -0.11 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 60.84 1ha1 s VAL 150 Cb -0.14 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 1ha1 s VAL 150 CO 0.03 0.56 -0.16 -0.89 0.00 0.00 0.00 175.10 174.65 1ha1 s THR 151 N 0.08 2.71 0.41 3.92 2.01 0.76 -0.83 115.64 124.70 1ha1 s THR 151 Ca -0.11 -0.77 0.08 0.00 0.31 0.00 0.00 61.69 61.20 1ha1 s THR 151 Cb -0.16 -2.13 -0.02 0.00 0.01 0.00 0.00 72.50 70.20 1ha1 s THR 151 CO 0.06 0.52 0.38 -0.36 -0.69 0.00 0.00 174.62 174.53 1ha1 s PHE 152 N 0.61 2.72 -1.83 4.92 0.40 -0.31 -0.10 117.98 124.39 1ha1 s PHE 152 Ca -0.09 -0.48 0.29 0.00 -0.60 0.00 0.00 56.93 56.05 1ha1 s PHE 152 Cb -0.16 -2.16 1.31 0.00 0.51 0.00 0.00 43.02 42.52 1ha1 s PHE 152 CO 0.03 -0.11 1.90 -0.40 0.70 0.00 0.00 175.22 177.34 1ha1 n ASP 153 N -1.54 0.55 -3.80 1.36 5.68 0.15 -4.73 116.55 114.21 1ha1 n ASP 153 Ca 0.03 -0.78 -0.12 0.00 -0.50 0.00 0.00 54.79 53.42 1ha1 n ASP 153 Cb 0.62 -0.05 -0.11 0.00 -1.14 0.00 0.00 41.12 40.44 1ha1 n ASP 153 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ha1 s ASP 154 N -2.33 -0.20 0.47 -1.12 2.15 -1.26 -5.03 116.67 109.35 1ha1 s ASP 154 Ca 0.33 0.32 0.23 0.00 0.43 0.00 0.00 52.55 53.86 1ha1 s ASP 154 Cb 0.20 0.42 1.14 0.00 -0.30 0.00 0.00 42.92 44.39 1ha1 s ASP 154 CO 0.44 -0.17 1.95 1.12 -0.17 0.00 0.00 175.17 178.34 1ha1 h HIS 155 N 5.34 0.00 -0.17 -5.34 2.07 -1.89 -3.17 115.15 111.99 1ha1 h HIS 155 Ca -0.27 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.20 1ha1 h HIS 155 Cb 1.19 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.16 1ha1 h HIS 155 CO 0.45 0.21 -0.11 0.22 -3.07 0.00 0.00 177.93 175.63 1ha1 h ASP 156 N 0.00 0.24 0.00 3.10 3.58 -1.96 -0.86 116.42 120.52 1ha1 h ASP 156 Ca -0.00 -0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.41 1ha1 h ASP 156 Cb 0.51 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 1ha1 h ASP 156 CO 0.03 0.39 -0.03 0.28 -2.88 0.00 0.00 179.24 177.03 1ha1 h SER 157 N 0.25 -0.08 -0.51 2.28 0.02 -1.73 0.16 113.55 113.95 1ha1 h SER 157 Ca 0.05 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1ha1 h SER 157 Cb 0.35 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 1ha1 h SER 157 CO 0.02 -0.04 0.29 0.58 -1.14 0.00 0.00 176.83 176.54 1ha1 h VAL 158 N -0.05 1.17 -0.81 2.27 2.07 -1.54 -0.23 116.25 119.13 1ha1 h VAL 158 Ca 0.01 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.17 1ha1 h VAL 158 Cb 0.06 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.29 1ha1 h VAL 158 CO -0.03 0.17 0.51 0.44 0.02 0.00 0.00 177.57 178.68 1ha1 h ASP 159 N 0.68 0.83 -0.38 0.57 3.32 -0.65 0.14 116.42 120.93 1ha1 h ASP 159 Ca 0.18 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 1ha1 h ASP 159 Cb 0.02 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1ha1 h ASP 159 CO -0.03 0.56 -0.14 0.11 -1.72 0.00 0.00 179.24 178.01 1ha1 h LYS 160 N 0.97 0.76 0.32 3.56 1.57 -0.23 -3.11 116.57 120.41 1ha1 h LYS 160 Ca 0.33 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1ha1 h LYS 160 Cb 0.06 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1ha1 h LYS 160 CO -0.13 0.93 -0.15 0.82 -0.57 0.00 0.00 179.45 180.35 1ha1 h ILE 161 N 0.56 0.71 0.00 1.86 2.04 -0.49 -3.18 117.51 119.01 1ha1 h ILE 161 Ca 0.09 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1ha1 h ILE 161 Cb 0.68 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1ha1 h ILE 161 CO 0.05 0.03 -0.08 0.58 0.00 0.00 0.00 178.15 178.72 1ha1 h VAL 162 N -0.49 0.61 0.00 1.67 2.07 -0.79 -0.90 116.25 118.41 1ha1 h VAL 162 Ca -0.04 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1ha1 h VAL 162 Cb 0.37 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1ha1 h VAL 162 CO 0.07 0.08 0.00 0.40 0.02 0.00 0.00 177.57 178.14 1ha1 h ILE 163 N 0.00 0.00 -3.53 4.57 2.04 -1.52 -3.45 117.51 115.62 1ha1 h ILE 163 Ca -0.00 -0.81 -0.53 0.00 1.00 0.00 0.00 64.86 64.52 1ha1 h ILE 163 Cb 0.21 1.81 0.06 0.00 -0.74 0.00 0.00 36.82 38.16 1ha1 h ILE 163 CO 0.01 0.00 0.73 -1.10 0.00 0.00 0.00 178.15 177.79 1ha1 s GLN 164 N -3.34 4.28 0.28 2.37 -1.52 -0.34 -4.92 119.66 116.46 1ha1 s GLN 164 Ca 0.05 2.30 0.05 0.00 -1.95 0.00 0.00 55.36 55.82 1ha1 s GLN 164 Cb 0.07 -3.09 0.40 0.00 -0.22 0.00 0.00 33.01 30.17 1ha1 s GLN 164 CO 0.62 -0.38 1.67 0.87 -0.25 0.00 0.00 175.29 177.83 1ha1 h LYS 165 N 4.52 0.28 -4.37 2.91 1.57 -1.87 -3.46 116.57 116.14 1ha1 h LYS 165 Ca -0.47 -0.14 -0.16 0.00 -1.87 0.00 0.00 60.65 58.01 1ha1 h LYS 165 Cb 1.22 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.38 1ha1 h LYS 165 CO 0.74 0.66 -0.66 0.71 -0.57 0.00 0.00 179.45 180.33 1ha1 s TYR 166 N -4.12 0.75 -0.17 -1.35 1.51 -1.26 -5.10 117.35 107.61 1ha1 s TYR 166 Ca -0.05 -1.16 -0.06 0.00 -1.01 0.00 0.00 57.07 54.79 1ha1 s TYR 166 Cb 0.13 -0.45 0.08 0.00 -0.11 0.00 0.00 41.96 41.61 1ha1 s TYR 166 CO 0.78 -0.45 0.34 -1.01 -1.11 0.00 0.00 175.55 174.10 1ha1 s HIS 167 N -3.98 -0.62 -0.25 2.71 3.76 -1.26 -5.06 115.29 110.59 1ha1 s HIS 167 Ca 0.18 1.26 0.02 0.00 -0.15 0.00 0.00 55.06 56.36 1ha1 s HIS 167 Cb 0.08 0.14 0.06 0.00 1.11 0.00 0.00 32.58 33.97 1ha1 s HIS 167 CO -0.03 -0.42 -0.08 0.99 -0.85 0.00 0.00 174.74 174.35 1ha1 s THR 168 N 2.52 1.83 -0.11 1.30 2.01 -1.26 -0.28 115.64 121.66 1ha1 s THR 168 Ca -0.00 -1.43 0.01 0.00 0.31 0.00 0.00 61.69 60.59 1ha1 s THR 168 Cb -0.12 -2.03 0.02 0.00 0.01 0.00 0.00 72.50 70.38 1ha1 s THR 168 CO -0.11 -0.08 -0.14 -0.69 -0.69 0.00 0.00 174.62 172.91 1ha1 s VAL 169 N 1.26 1.44 -1.42 3.82 1.01 -0.87 -4.74 120.40 120.88 1ha1 s VAL 169 Ca -0.07 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 1ha1 s VAL 169 Cb -0.19 -1.33 0.05 0.00 0.00 0.00 0.00 36.38 34.90 1ha1 s VAL 169 CO -0.06 0.43 0.95 -3.20 0.00 0.00 0.00 175.10 173.22 1ha1 n ASN 170 N 4.32 -3.96 0.00 3.32 5.15 -1.26 -1.44 115.26 121.38 1ha1 n ASN 170 Ca -0.18 -0.74 0.00 0.00 -0.60 0.00 0.00 54.58 53.06 1ha1 n ASN 170 Cb 0.51 -4.21 0.00 0.00 -0.53 0.00 0.00 39.78 35.55 1ha1 n ASN 170 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ha1 n GLY 171 N -1.69 1.17 3.86 8.20 0.00 -1.26 -4.98 105.19 110.49 1ha1 n GLY 171 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1ha1 n GLY 171 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ha1 s HIS 172 N -2.33 3.50 -0.49 1.61 3.76 -0.52 -5.02 115.29 115.80 1ha1 s HIS 172 Ca 0.00 1.02 -0.18 0.00 -0.15 0.00 0.00 55.06 55.75 1ha1 s HIS 172 Cb 0.00 -2.36 0.06 0.00 1.11 0.00 0.00 32.58 31.39 1ha1 s HIS 172 CO 0.00 0.31 0.54 -0.80 -0.85 0.00 0.00 174.74 173.94 1ha1 s ASN 173 N -2.07 6.20 0.46 1.40 0.01 -1.26 -2.06 114.94 117.62 1ha1 s ASN 173 Ca 0.44 -0.99 -0.02 0.00 -0.71 0.00 0.00 52.86 51.58 1ha1 s ASN 173 Cb -0.13 -2.25 -0.01 0.00 0.41 0.00 0.00 41.25 39.27 1ha1 s ASN 173 CO 0.20 -0.79 0.71 0.00 -1.51 0.00 0.00 177.10 175.71 1ha1 s GLU 175 N -4.62 3.41 -0.11 0.00 2.12 -0.64 -4.29 118.70 114.56 1ha1 s GLU 175 Ca 0.48 -0.62 0.03 0.00 0.36 0.00 0.00 54.97 55.22 1ha1 s GLU 175 Cb -0.10 -3.11 0.01 0.00 0.26 0.00 0.00 34.13 31.18 1ha1 s GLU 175 CO 0.40 -0.22 -0.21 0.08 -0.54 0.00 0.00 175.26 174.76 1ha1 s VAL 176 N 1.51 1.94 0.12 3.70 1.01 -1.26 -0.03 120.40 127.38 1ha1 s VAL 176 Ca 0.06 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.14 1ha1 s VAL 176 Cb -0.15 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1ha1 s VAL 176 CO -0.01 0.53 -0.09 -0.13 0.00 0.00 0.00 175.10 175.40 1ha1 s ARG 177 N 0.61 0.92 0.33 2.72 1.81 -0.58 -4.81 118.95 119.95 1ha1 s ARG 177 Ca -0.13 -1.34 -0.28 0.00 -1.72 0.00 0.00 55.73 52.25 1ha1 s ARG 177 Cb -0.17 -0.42 -0.10 0.00 -0.45 0.00 0.00 34.95 33.81 1ha1 s ARG 177 CO 0.03 0.04 1.25 0.15 -0.68 0.00 0.00 175.30 176.09 1ha1 s LYS 178 N -3.60 4.36 -0.20 3.54 1.02 -1.26 -0.56 119.74 123.04 1ha1 s LYS 178 Ca 0.12 2.10 -0.07 0.00 0.02 0.00 0.00 55.97 58.14 1ha1 s LYS 178 Cb 0.03 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 1ha1 s LYS 178 CO -0.02 -0.13 0.06 0.00 -0.92 0.00 0.00 175.35 174.34 1ha1 s ALA 179 N -1.18 3.34 -2.28 5.17 0.00 0.64 -4.65 121.76 122.79 1ha1 s ALA 179 Ca 0.49 -0.84 0.30 0.00 0.00 0.00 0.00 51.96 51.91 1ha1 s ALA 179 Cb -0.37 -1.95 1.42 0.00 0.00 0.00 0.00 23.12 22.22 1ha1 s ALA 179 CO 0.49 0.02 1.95 1.28 0.00 0.00 0.00 175.76 179.51