#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgm h ASP 6 N 0.00 0.00 0.45 1.61 1.82 -2.06 0.53 116.42 118.78 1sgm h ASP 6 Ca 0.00 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.56 1sgm h ASP 6 Cb 0.00 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 1sgm h ASP 6 CO 0.00 0.01 -0.38 0.28 -1.61 0.00 0.00 179.24 177.54 1sgm h SER 7 N 0.00 0.00 -0.23 2.28 0.02 -1.99 -1.84 113.55 111.79 1sgm h SER 7 Ca -0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1sgm h SER 7 Cb 0.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.56 1sgm h SER 7 CO 0.00 0.38 -0.12 -0.09 -1.14 0.00 0.00 176.83 175.86 1sgm h ARG 8 N 0.00 0.49 -0.45 3.45 2.43 -1.26 -2.50 114.38 116.54 1sgm h ARG 8 Ca -0.00 -0.22 -0.05 0.00 -0.81 0.00 0.00 59.98 58.89 1sgm h ARG 8 Cb 0.71 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 1sgm h ARG 8 CO 0.05 0.77 0.06 1.49 -1.51 0.00 0.00 179.97 180.83 1sgm h GLU 9 N 0.21 0.70 -0.31 0.20 4.57 -1.38 -1.40 114.58 117.17 1sgm h GLU 9 Ca 0.05 -0.15 -0.03 0.00 -1.18 0.00 0.00 59.36 58.05 1sgm h GLU 9 Cb 0.63 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 1sgm h GLU 9 CO 0.04 0.67 0.09 0.87 -1.18 0.00 0.00 179.01 179.50 1sgm h LYS 10 N 0.67 0.48 -0.30 1.92 1.57 -1.24 0.94 116.57 120.61 1sgm h LYS 10 Ca 0.14 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1sgm h LYS 10 Cb 0.33 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1sgm h LYS 10 CO 0.01 0.54 0.10 0.82 -0.57 0.00 0.00 179.45 180.35 1sgm h ILE 11 N 0.34 1.20 -0.17 1.86 2.04 -1.22 -0.46 117.51 121.09 1sgm h ILE 11 Ca 0.10 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1sgm h ILE 11 Cb 0.26 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1sgm h ILE 11 CO -0.00 0.21 0.06 0.25 0.00 0.00 0.00 178.15 178.67 1sgm h LEU 12 N 0.33 0.24 -0.53 1.44 5.85 -1.15 -0.46 115.31 121.02 1sgm h LEU 12 Ca 0.10 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.65 1sgm h LEU 12 Cb 0.23 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1sgm h LEU 12 CO -0.00 0.35 0.34 -0.74 -0.34 0.00 0.00 178.44 178.05 1sgm h HIS 13 N 0.11 0.65 -0.94 1.25 2.76 -0.74 -1.37 115.15 116.88 1sgm h HIS 13 Ca 0.06 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1sgm h HIS 13 Cb 0.19 -0.22 -0.05 0.00 1.55 0.00 0.00 27.41 28.89 1sgm h HIS 13 CO -0.01 0.40 0.59 1.15 -1.30 0.00 0.00 177.93 178.76 1sgm h THR 14 N 0.70 1.25 -0.39 6.26 2.02 -0.91 -0.88 112.91 120.95 1sgm h THR 14 Ca 0.20 -0.50 -0.04 0.00 0.77 0.00 0.00 66.41 66.84 1sgm h THR 14 Cb -0.05 -0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.24 1sgm h THR 14 CO -0.06 0.25 0.08 0.00 0.37 0.00 0.00 175.52 176.16 1sgm h ALA 15 N 1.33 0.52 -0.38 6.16 0.00 -0.53 -1.50 119.26 124.86 1sgm h ALA 15 Ca 0.34 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1sgm h ALA 15 Cb -0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1sgm h ALA 15 CO -0.07 0.22 0.21 0.77 0.00 0.00 0.00 179.25 180.38 1sgm h SER 16 N 0.49 0.47 -0.35 0.00 0.02 -0.93 0.16 113.55 113.42 1sgm h SER 16 Ca 0.12 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1sgm h SER 16 Cb 0.34 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 1sgm h SER 16 CO 0.00 0.41 0.21 -0.09 -1.14 0.00 0.00 176.83 176.23 1sgm h ARG 17 N 0.48 0.47 -0.33 3.45 2.43 -1.06 -2.08 114.38 117.75 1sgm h ARG 17 Ca 0.13 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 59.10 1sgm h ARG 17 Cb 0.05 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1sgm h ARG 17 CO -0.02 0.35 -0.45 -0.07 -1.51 0.00 0.00 179.97 178.27 1sgm h LEU 18 N 0.46 0.93 -0.80 3.80 3.38 -1.06 -2.51 115.31 119.51 1sgm h LEU 18 Ca 0.13 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 1sgm h LEU 18 Cb -0.00 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1sgm h LEU 18 CO -0.02 1.23 0.13 0.28 0.09 0.00 0.00 178.44 180.15 1sgm h SER 19 N 0.68 0.99 -0.25 -0.43 0.02 -0.60 0.29 113.55 114.25 1sgm h SER 19 Ca 0.04 -0.21 -0.09 0.00 -0.84 0.00 0.00 61.79 60.68 1sgm h SER 19 Cb 1.04 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.31 1sgm h SER 19 CO 0.10 0.97 -0.21 0.06 -1.14 0.00 0.00 176.83 176.61 1sgm h GLN 20 N 0.99 0.58 0.19 3.45 3.07 -1.38 -0.52 115.11 121.50 1sgm h GLN 20 Ca 0.20 -0.29 -0.01 0.00 0.09 0.00 0.00 58.65 58.64 1sgm h GLN 20 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.95 1sgm h GLN 20 CO 0.01 0.88 -0.09 1.25 0.09 0.00 0.00 178.83 180.97 1sgm h LEU 21 N 0.30 -0.22 0.00 0.06 5.85 -1.36 -2.74 115.31 117.20 1sgm h LEU 21 Ca 0.04 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 1sgm h LEU 21 Cb 0.76 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 1sgm h LEU 21 CO 0.05 0.29 -1.56 0.00 -0.34 0.00 0.00 178.44 176.88 1sgm n GLN 22 N -4.97 0.64 0.00 1.25 6.02 0.10 -4.82 117.38 115.60 1sgm n GLN 22 Ca -0.08 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 1sgm n GLN 22 Cb 0.26 -1.67 0.00 0.00 1.02 0.00 0.00 30.24 29.85 1sgm n GLN 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sgm n GLY 23 N 1.27 0.58 0.07 1.08 0.00 -0.20 -4.45 105.19 103.54 1sgm n GLY 23 Ca -0.05 -2.14 -0.05 0.00 0.00 0.00 0.00 46.02 43.78 1sgm n GLY 23 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1sgm h TYR 24 N 0.00 -0.02 -0.21 1.61 3.20 -1.87 -3.30 116.97 116.38 1sgm h TYR 24 Ca 0.00 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 1sgm h TYR 24 Cb 0.00 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1sgm h TYR 24 CO 0.00 0.32 -0.11 0.45 -1.64 0.00 0.00 178.16 177.18 1sgm h HIS 25 N -1.00 0.35 0.00 -3.82 3.86 -1.96 -2.45 115.15 110.14 1sgm h HIS 25 Ca -0.00 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1sgm h HIS 25 Cb 0.36 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.73 1sgm h HIS 25 CO 0.09 0.45 0.00 0.00 0.86 0.00 0.00 177.93 179.33 1sgm h ALA 26 N 1.57 1.00 -2.57 2.45 0.00 -1.78 -3.42 119.26 116.51 1sgm h ALA 26 Ca 0.06 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.28 1sgm h ALA 26 Cb 0.40 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.99 1sgm h ALA 26 CO 0.02 0.00 -0.40 0.99 0.00 0.00 0.00 179.25 179.86 1sgm s THR 27 N -3.32 5.24 0.29 0.00 2.01 -0.92 -5.00 115.64 113.93 1sgm s THR 27 Ca 0.05 -0.37 0.03 0.00 0.31 0.00 0.00 61.69 61.71 1sgm s THR 27 Cb 0.10 -3.85 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 1sgm s THR 27 CO 0.48 -0.19 0.44 -0.83 -0.69 0.00 0.00 174.62 173.83 1sgm s GLY 28 N 1.72 1.27 0.41 4.40 0.00 -1.26 -4.96 107.32 108.90 1sgm s GLY 28 Ca 0.07 -1.09 0.10 0.00 0.00 0.00 0.00 44.72 43.80 1sgm s GLY 28 CO 0.11 -1.08 1.97 1.41 0.00 0.00 0.00 173.10 175.51 1sgm h LEU 29 N 0.99 0.21 -0.19 0.66 4.07 -1.98 -1.86 115.31 117.21 1sgm h LEU 29 Ca -0.51 -0.03 -0.00 0.00 0.08 0.00 0.00 57.88 57.41 1sgm h LEU 29 Cb 1.23 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.90 1sgm h LEU 29 CO 0.61 0.31 0.10 0.78 -1.08 0.00 0.00 178.44 179.16 1sgm h ASN 30 N 0.23 0.24 0.22 -0.43 2.35 -1.99 -1.22 115.58 114.97 1sgm h ASN 30 Ca 0.05 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.64 1sgm h ASN 30 Cb 0.26 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1sgm h ASN 30 CO 0.01 0.26 -0.27 -0.61 -1.65 0.00 0.00 177.43 175.18 1sgm h GLN 31 N 0.19 0.08 -0.17 0.81 4.15 -1.83 -0.35 115.11 117.99 1sgm h GLN 31 Ca 0.07 -0.02 -0.21 0.00 0.77 0.00 0.00 58.65 59.25 1sgm h GLN 31 Cb 0.08 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 27.77 1sgm h GLN 31 CO -0.01 0.35 -0.71 0.82 -1.93 0.00 0.00 178.83 177.34 1sgm h ILE 32 N 0.07 1.29 -0.18 2.39 2.04 -1.05 -2.44 117.51 119.64 1sgm h ILE 32 Ca 0.01 -1.93 -0.03 0.00 1.00 0.00 0.00 64.86 63.91 1sgm h ILE 32 Cb 0.52 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 1sgm h ILE 32 CO 0.04 0.61 -0.00 0.58 0.00 0.00 0.00 178.15 179.38 1sgm h VAL 33 N 0.53 1.26 -0.80 1.67 2.07 -0.90 -2.01 116.25 118.07 1sgm h VAL 33 Ca -0.03 -0.87 0.06 0.00 0.82 0.00 0.00 66.70 66.67 1sgm h VAL 33 Cb 1.33 1.47 -0.06 0.00 -1.52 0.00 0.00 31.29 32.51 1sgm h VAL 33 CO 0.15 0.26 0.49 0.50 0.02 0.00 0.00 177.57 178.98 1sgm h LYS 34 N 0.08 0.87 0.00 1.57 3.64 -1.07 -2.96 116.57 118.70 1sgm h LYS 34 Ca 0.05 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1sgm h LYS 34 Cb 0.39 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1sgm h LYS 34 CO 0.01 0.57 -0.54 0.39 -2.27 0.00 0.00 179.45 177.61 1sgm n GLU 35 N -4.66 0.02 0.08 1.90 1.02 -0.92 -4.15 120.64 113.92 1sgm n GLU 35 Ca 0.11 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.08 1sgm n GLU 35 Cb 0.17 -1.51 -0.09 0.00 -0.02 0.00 0.00 31.44 29.99 1sgm n GLU 35 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1sgm h SER 36 N 0.00 0.70 -0.39 1.62 4.64 -1.19 -3.48 113.55 115.45 1sgm h SER 36 Ca 0.00 -0.60 0.00 0.00 -0.47 0.00 0.00 61.79 60.72 1sgm h SER 36 Cb 0.51 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1sgm h SER 36 CO 0.00 1.42 0.00 0.61 -0.87 0.00 0.00 176.83 177.99 1sgm n GLY 37 N 1.18 0.71 3.42 -0.77 0.00 -1.22 -4.75 105.19 103.76 1sgm n GLY 37 Ca -0.10 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 44.91 1sgm n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sgm s ALA 38 N -2.39 2.50 -1.23 4.61 0.00 -1.26 -5.07 121.76 118.92 1sgm s ALA 38 Ca 0.00 -1.52 -0.10 0.00 0.00 0.00 0.00 51.96 50.34 1sgm s ALA 38 Cb 0.00 -0.41 0.19 0.00 0.00 0.00 0.00 23.12 22.91 1sgm s ALA 38 CO 0.00 0.50 1.67 -0.35 0.00 0.00 0.00 175.76 177.58 1sgm n PRO 39 N 0.62 3.67 -1.36 0.00 -0.04 -1.26 -4.65 135.00 131.99 1sgm n PRO 39 Ca -0.15 -3.80 -0.12 0.00 -0.04 0.00 0.00 63.50 59.38 1sgm n PRO 39 Cb 0.54 -2.88 -0.05 0.00 -0.04 0.00 0.00 33.50 31.07 1sgm n PRO 39 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1sgm n LYS 40 N 3.91 -0.87 0.00 0.54 5.02 -1.26 -4.88 118.16 120.63 1sgm n LYS 40 Ca 0.36 0.93 0.07 0.00 -2.02 0.00 0.00 58.31 57.66 1sgm n LYS 40 Cb 0.38 -4.96 0.43 0.00 -0.02 0.00 0.00 35.03 30.86 1sgm n LYS 40 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sgm n GLY 41 N -1.45 -0.97 0.15 0.72 0.00 -1.26 -4.12 105.19 98.26 1sgm n GLY 41 Ca -0.12 -0.09 -0.06 0.00 0.00 0.00 0.00 46.02 45.75 1sgm n GLY 41 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1sgm h SER 42 N 0.00 -0.31 0.57 1.61 0.87 -1.94 -1.41 113.55 112.93 1sgm h SER 42 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1sgm h SER 42 Cb 0.00 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 1sgm h SER 42 CO 0.00 -0.18 0.00 -0.07 -0.53 0.00 0.00 176.83 176.05 1sgm h LEU 43 N -0.46 0.00 -0.04 2.23 4.07 -1.79 0.26 115.31 119.58 1sgm h LEU 43 Ca -0.04 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.73 1sgm h LEU 43 Cb 0.28 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.04 1sgm h LEU 43 CO 0.06 0.00 -0.72 0.22 -1.08 0.00 0.00 178.44 176.93 1sgm h TYR 44 N 0.00 0.80 0.00 1.13 3.20 -1.70 -1.95 116.97 118.45 1sgm h TYR 44 Ca 0.00 -0.41 -0.12 0.00 3.14 0.00 0.00 58.73 61.35 1sgm h TYR 44 Cb 0.28 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 1sgm h TYR 44 CO 0.00 1.22 -1.28 0.72 -1.64 0.00 0.00 178.16 177.18 1sgm n HIS 45 N -4.10 0.99 -3.14 -3.82 8.25 -0.54 -4.36 115.22 108.51 1sgm n HIS 45 Ca -0.10 0.32 -0.22 0.00 -0.26 0.00 0.00 57.72 57.46 1sgm n HIS 45 Cb 0.72 -1.05 -0.04 0.00 1.12 0.00 0.00 29.99 30.74 1sgm n HIS 45 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1sgm n PHE 46 N -2.83 1.40 -0.92 4.41 3.01 0.87 -5.08 117.46 118.33 1sgm n PHE 46 Ca -0.07 -3.86 -0.37 0.00 1.01 0.00 0.00 57.45 54.16 1sgm n PHE 46 Cb 0.75 -0.44 0.07 0.00 -0.01 0.00 0.00 39.48 39.85 1sgm n PHE 46 CO 0.00 0.00 0.00 1.97 1.01 0.00 0.00 176.76 179.74 1sgm n PHE 47 N 0.32 -1.51 -0.32 1.38 1.16 -0.73 -3.10 117.46 114.65 1sgm n PHE 47 Ca 0.26 0.51 0.00 0.00 -1.87 0.00 0.00 57.45 56.35 1sgm n PHE 47 Cb 0.55 -1.43 0.00 0.00 -1.61 0.00 0.00 39.48 36.99 1sgm n PHE 47 CO 0.00 0.00 0.00 -2.30 -1.87 0.00 0.00 176.76 172.59 1sgm n PRO 48 N 1.33 0.00 0.00 3.97 -0.02 -1.26 -1.48 135.00 137.54 1sgm n PRO 48 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1sgm n PRO 48 Cb 0.71 -0.40 0.00 0.00 -0.02 0.00 0.00 33.50 33.79 1sgm n PRO 48 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1sgm n ASN 49 N 1.25 0.00 0.00 2.55 4.13 -1.26 -5.13 115.26 116.80 1sgm n ASN 49 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1sgm n ASN 49 Cb 0.06 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.30 1sgm n ASN 49 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1sgm n GLY 50 N -0.06 2.13 0.18 7.41 0.00 -0.55 -3.36 105.19 110.94 1sgm n GLY 50 Ca 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 1sgm n GLY 50 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1sgm h LYS 51 N 0.00 -0.00 -0.67 1.61 3.64 -1.93 0.29 116.57 119.50 1sgm h LYS 51 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1sgm h LYS 51 Cb 0.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1sgm h LYS 51 CO 0.00 -0.00 0.33 1.49 -2.27 0.00 0.00 179.45 179.00 1sgm h GLU 52 N -0.00 0.96 -0.24 1.90 4.81 -1.99 0.29 114.58 120.30 1sgm h GLU 52 Ca 0.21 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1sgm h GLU 52 Cb 0.32 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1sgm h GLU 52 CO -0.45 0.75 0.03 1.49 -0.73 0.00 0.00 179.01 180.11 1sgm h GLU 53 N 0.93 0.41 -0.66 1.92 4.81 -1.45 -0.89 114.58 119.66 1sgm h GLU 53 Ca 0.23 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 1sgm h GLU 53 Cb 0.10 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 1sgm h GLU 53 CO -0.03 0.55 0.34 1.25 -0.73 0.00 0.00 179.01 180.38 1sgm h LEU 54 N 0.21 0.85 -0.72 1.64 5.85 -0.71 -2.84 115.31 119.58 1sgm h LEU 54 Ca 0.07 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1sgm h LEU 54 Cb 0.34 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1sgm h LEU 54 CO 0.01 0.72 0.40 0.00 -0.34 0.00 0.00 178.44 179.23 1sgm h ALA 55 N 1.16 0.92 -0.33 1.25 0.00 -0.21 -0.57 119.26 121.48 1sgm h ALA 55 Ca 0.23 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1sgm h ALA 55 Cb 0.09 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 1sgm h ALA 55 CO -0.03 0.43 0.02 0.82 0.00 0.00 0.00 179.25 180.48 1sgm h ILE 56 N 0.99 0.78 0.00 0.00 2.04 -0.93 0.12 117.51 120.51 1sgm h ILE 56 Ca 0.25 -0.04 -0.12 0.00 1.00 0.00 0.00 64.86 65.96 1sgm h ILE 56 Cb 0.03 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1sgm h ILE 56 CO -0.04 0.02 -0.55 -0.08 0.00 0.00 0.00 178.15 177.50 1sgm h GLU 57 N 0.11 0.00 -0.52 2.37 4.81 -1.35 -2.60 114.58 117.40 1sgm h GLU 57 Ca 0.16 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1sgm h GLU 57 Cb 0.21 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1sgm h GLU 57 CO -0.25 0.55 0.16 0.00 -0.73 0.00 0.00 179.01 178.74 1sgm h ALA 58 N 1.45 0.68 -0.28 2.92 0.00 0.05 -0.09 119.26 123.99 1sgm h ALA 58 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1sgm h ALA 58 Cb 1.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1sgm h ALA 58 CO 0.07 0.35 0.18 0.28 0.00 0.00 0.00 179.25 180.13 1sgm h VAL 59 N 0.72 1.09 -0.82 0.00 2.07 -0.58 0.86 116.25 119.58 1sgm h VAL 59 Ca 0.17 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1sgm h VAL 59 Cb 0.28 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1sgm h VAL 59 CO -0.00 0.08 0.52 0.74 0.02 0.00 0.00 177.57 178.93 1sgm h THR 60 N 0.37 1.22 0.14 2.57 2.02 -1.30 0.60 112.91 118.54 1sgm h THR 60 Ca 0.10 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 1sgm h THR 60 Cb -0.02 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.43 1sgm h THR 60 CO -0.02 0.22 -0.07 0.22 0.37 0.00 0.00 175.52 176.24 1sgm h TYR 61 N 1.12 -0.18 -0.87 3.16 3.20 -0.51 -0.70 116.97 122.20 1sgm h TYR 61 Ca 0.30 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 1sgm h TYR 61 Cb -0.09 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.20 1sgm h TYR 61 CO -0.01 -0.08 0.51 1.15 -1.64 0.00 0.00 178.16 178.10 1sgm h THR 62 N -0.23 1.24 0.02 1.81 2.02 -0.43 -2.59 112.91 114.74 1sgm h THR 62 Ca -0.02 -0.54 0.01 0.00 0.77 0.00 0.00 66.41 66.63 1sgm h THR 62 Cb 0.18 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 1sgm h THR 62 CO 0.03 0.26 -0.05 1.23 0.37 0.00 0.00 175.52 177.35 1sgm h GLY 63 N 1.21 -0.07 1.01 2.16 0.00 0.61 -1.88 103.07 106.11 1sgm h GLY 63 Ca 0.31 0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.71 1sgm h GLY 63 CO -0.06 -0.06 0.63 0.50 0.00 0.00 0.00 176.54 177.55 1sgm h LYS 64 N -0.10 1.25 -0.30 4.80 1.57 -0.88 0.18 116.57 123.09 1sgm h LYS 64 Ca 0.02 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1sgm h LYS 64 Cb 0.12 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1sgm h LYS 64 CO -0.05 0.83 0.12 0.82 -0.57 0.00 0.00 179.45 180.61 1sgm h ILE 65 N 1.29 1.18 -0.13 1.86 2.04 -1.28 -0.84 117.51 121.63 1sgm h ILE 65 Ca 0.35 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1sgm h ILE 65 Cb -0.15 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1sgm h ILE 65 CO -0.08 0.19 -0.01 0.58 0.00 0.00 0.00 178.15 178.83 1sgm h VAL 66 N 0.34 1.27 -0.86 1.67 2.07 -1.05 -1.06 116.25 118.63 1sgm h VAL 66 Ca 0.10 -0.88 0.19 0.00 0.82 0.00 0.00 66.70 66.93 1sgm h VAL 66 Cb 0.18 1.60 -0.11 0.00 -1.52 0.00 0.00 31.29 31.43 1sgm h VAL 66 CO -0.01 0.25 0.39 -0.08 0.02 0.00 0.00 177.57 178.14 1sgm h GLU 67 N -0.05 0.45 -0.50 1.57 4.81 -0.53 0.24 114.58 120.57 1sgm h GLU 67 Ca 0.03 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 1sgm h GLU 67 Cb 0.40 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1sgm h GLU 67 CO 0.01 0.30 -0.13 0.45 -0.73 0.00 0.00 179.01 178.91 1sgm h HIS 68 N 0.47 1.06 -0.21 0.92 3.86 -0.86 -2.49 115.15 117.91 1sgm h HIS 68 Ca 0.51 -0.22 -0.06 0.00 -1.16 0.00 0.00 60.37 59.44 1sgm h HIS 68 Cb 0.87 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 1sgm h HIS 68 CO -0.13 1.01 -0.12 -0.07 0.86 0.00 0.00 177.93 179.47 1sgm h LEU 69 N 0.84 0.32 -0.00 2.43 -0.00 0.72 -2.12 115.31 117.51 1sgm h LEU 69 Ca 0.13 -0.07 -0.00 0.00 -0.00 0.00 0.00 57.88 57.94 1sgm h LEU 69 Cb 0.68 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.25 1sgm h LEU 69 CO 0.05 0.48 -0.00 0.40 -0.00 0.00 0.00 178.44 179.36 1sgm h ILE 70 N 0.31 1.45 -0.99 1.22 2.04 -0.83 -3.03 117.51 117.68 1sgm h ILE 70 Ca 0.06 -1.34 0.13 0.00 1.00 0.00 0.00 64.86 64.72 1sgm h ILE 70 Cb 0.42 2.36 -0.09 0.00 -0.74 0.00 0.00 36.82 38.77 1sgm h ILE 70 CO 0.02 0.35 0.62 -0.61 0.00 0.00 0.00 178.15 178.53 1sgm h GLN 71 N -0.57 0.92 -0.63 2.37 5.75 -1.35 -0.70 115.11 120.90 1sgm h GLN 71 Ca 0.00 -0.06 0.05 0.00 -0.15 0.00 0.00 58.65 58.49 1sgm h GLN 71 Cb 0.57 -0.21 -0.05 0.00 1.07 0.00 0.00 27.48 28.86 1sgm h GLN 71 CO 0.00 0.61 0.36 1.96 -2.65 0.00 0.00 178.83 179.11 1sgm h GLN 72 N 0.95 0.67 -0.12 1.69 4.20 -1.34 0.25 115.11 121.40 1sgm h GLN 72 Ca 0.50 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 59.07 1sgm h GLN 72 Cb 0.54 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1sgm h GLN 72 CO -0.28 0.44 -0.39 0.77 -0.67 0.00 0.00 178.83 178.69 1sgm h SER 73 N 0.69 0.28 0.35 1.46 0.02 -1.08 -1.93 113.55 113.34 1sgm h SER 73 Ca 0.27 -0.12 -0.11 0.00 -0.84 0.00 0.00 61.79 61.00 1sgm h SER 73 Cb 0.13 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1sgm h SER 73 CO -0.15 0.65 -0.48 0.24 -1.14 0.00 0.00 176.83 175.95 1sgm h MET 74 N 0.23 0.16 0.00 3.45 2.86 0.09 -2.71 114.93 119.01 1sgm h MET 74 Ca 0.02 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1sgm h MET 74 Cb 0.80 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.46 1sgm h MET 74 CO 0.06 0.61 0.00 -0.44 1.06 0.00 0.00 176.91 178.20 1sgm h ASP 75 N 0.13 0.00 0.00 1.22 3.32 -0.12 -3.28 116.42 117.68 1sgm h ASP 75 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1sgm h ASP 75 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 1sgm h ASP 75 CO 0.07 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 176.97 1sgm n GLU 76 N -3.09 0.87 -3.60 3.56 1.02 -0.76 -4.81 120.64 113.83 1sgm n GLU 76 Ca 0.04 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.02 1sgm n GLU 76 Cb 0.50 -1.47 -0.07 0.00 -0.02 0.00 0.00 31.44 30.38 1sgm n GLU 76 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1sgm s SER 77 N -1.96 -0.66 0.21 1.62 0.15 -1.24 -5.00 113.70 106.82 1sgm s SER 77 Ca 0.40 1.04 0.16 0.00 0.70 0.00 0.00 55.95 58.25 1sgm s SER 77 Cb 0.18 0.99 -0.00 0.00 -1.71 0.00 0.00 66.02 65.48 1sgm s SER 77 CO 0.31 -0.39 1.24 0.77 1.20 0.00 0.00 173.24 176.36 1sgm h SER 78 N 4.19 0.00 -3.43 5.45 4.64 -1.87 -3.43 113.55 119.10 1sgm h SER 78 Ca -0.28 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.48 1sgm h SER 78 Cb 1.15 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.17 1sgm h SER 78 CO 0.22 0.51 0.94 -0.62 -0.87 0.00 0.00 176.83 177.01 1sgm s ASP 79 N -6.21 6.52 0.25 4.97 3.68 -1.26 -4.92 116.67 119.71 1sgm s ASP 79 Ca 0.02 0.25 -0.03 0.00 2.13 0.00 0.00 52.55 54.92 1sgm s ASP 79 Cb 0.08 -2.55 0.51 0.00 -1.45 0.00 0.00 42.92 39.51 1sgm s ASP 79 CO 0.77 -1.37 1.72 1.55 0.13 0.00 0.00 175.17 177.97 1sgm h PRO 80 N 9.40 0.43 -0.26 4.34 0.13 -1.93 0.50 132.00 144.60 1sgm h PRO 80 Ca -0.24 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.76 1sgm h PRO 80 Cb 1.06 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 1sgm h PRO 80 CO 1.16 0.28 -0.27 0.28 -0.23 0.00 0.00 178.00 179.22 1sgm h VAL 81 N 0.44 1.27 -0.17 1.56 2.07 -1.96 -1.78 116.25 117.68 1sgm h VAL 81 Ca 0.44 -1.31 -0.20 0.00 0.82 0.00 0.00 66.70 66.45 1sgm h VAL 81 Cb 0.70 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1sgm h VAL 81 CO -0.43 0.42 -0.69 -0.08 0.02 0.00 0.00 177.57 176.81 1sgm h GLU 82 N 0.44 0.70 -0.06 1.57 4.81 -1.60 -2.01 114.58 118.42 1sgm h GLU 82 Ca 0.06 -0.52 -0.07 0.00 -0.13 0.00 0.00 59.36 58.70 1sgm h GLU 82 Cb 0.70 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 1sgm h GLU 82 CO 0.05 1.14 -0.29 0.00 -0.73 0.00 0.00 179.01 179.18 1sgm h ALA 83 N 0.72 1.40 0.15 2.92 0.00 -0.80 -1.45 119.26 122.21 1sgm h ALA 83 Ca -0.03 -0.30 -0.30 0.00 0.00 0.00 0.00 54.91 54.28 1sgm h ALA 83 Cb 1.29 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 19.04 1sgm h ALA 83 CO 0.14 0.43 -1.30 0.82 0.00 0.00 0.00 179.25 179.34 1sgm h ILE 84 N 0.10 1.32 -0.12 0.00 2.04 -1.23 -2.93 117.51 116.69 1sgm h ILE 84 Ca 0.01 -2.60 -0.09 0.00 1.00 0.00 0.00 64.86 63.18 1sgm h ILE 84 Cb 0.57 2.81 -0.01 0.00 -0.74 0.00 0.00 36.82 39.45 1sgm h ILE 84 CO 0.04 0.78 -0.35 1.56 0.00 0.00 0.00 178.15 180.19 1sgm h GLN 85 N 0.21 0.24 -0.37 2.37 4.20 -1.18 -2.56 115.11 118.02 1sgm h GLN 85 Ca -0.20 -0.10 -0.16 0.00 0.06 0.00 0.00 58.65 58.26 1sgm h GLN 85 Cb 1.98 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.75 1sgm h GLN 85 CO 0.24 0.56 -0.38 -0.07 -0.67 0.00 0.00 178.83 178.51 1sgm h LEU 86 N 0.21 0.98 -0.57 1.46 3.38 -1.33 -0.83 115.31 118.60 1sgm h LEU 86 Ca 0.02 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 1sgm h LEU 86 Cb 0.72 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1sgm h LEU 86 CO 0.05 1.25 0.34 0.15 0.09 0.00 0.00 178.44 180.32 1sgm h PHE 87 N 0.72 0.77 -0.38 1.13 3.57 -1.30 -0.56 116.94 120.89 1sgm h PHE 87 Ca 0.06 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 1sgm h PHE 87 Cb 0.98 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1sgm h PHE 87 CO 0.07 0.53 -0.03 0.82 -2.23 0.00 0.00 178.31 177.47 1sgm h ILE 88 N 0.77 1.22 -0.31 1.41 2.04 -1.34 -1.46 117.51 119.84 1sgm h ILE 88 Ca 0.20 -0.93 -0.17 0.00 1.00 0.00 0.00 64.86 64.97 1sgm h ILE 88 Cb 0.00 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1sgm h ILE 88 CO -0.04 0.32 -0.47 0.11 0.00 0.00 0.00 178.15 178.07 1sgm h LYS 89 N 0.58 0.84 -0.62 2.37 1.57 -0.66 -0.92 116.57 119.74 1sgm h LYS 89 Ca 0.12 -0.49 -0.08 0.00 -1.87 0.00 0.00 60.65 58.33 1sgm h LYS 89 Cb 0.42 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1sgm h LYS 89 CO 0.02 1.12 0.08 0.87 -0.57 0.00 0.00 179.45 180.97 1sgm h LYS 90 N 0.66 1.01 -0.40 3.15 1.57 -0.84 -1.66 116.57 120.07 1sgm h LYS 90 Ca 0.03 -0.27 -0.08 0.00 -1.87 0.00 0.00 60.65 58.47 1sgm h LYS 90 Cb 1.06 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 1sgm h LYS 90 CO 0.11 0.94 -0.07 1.79 -0.57 0.00 0.00 179.45 181.65 1sgm h THR 91 N 0.95 1.24 0.00 -0.16 1.35 -1.12 -2.78 112.91 112.39 1sgm h THR 91 Ca 0.19 -1.03 -0.08 0.00 -0.55 0.00 0.00 66.41 64.93 1sgm h THR 91 Cb 0.43 1.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 1sgm h THR 91 CO 0.01 0.35 -0.40 0.00 -0.25 0.00 0.00 175.52 175.24 1sgm h ALA 92 N 1.31 1.00 0.00 6.62 0.00 -0.66 -3.12 119.26 124.41 1sgm h ALA 92 Ca 0.12 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1sgm h ALA 92 Cb 0.49 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1sgm h ALA 92 CO 0.03 0.50 -0.01 0.66 0.00 0.00 0.00 179.25 180.42 1sgm h SER 93 N 0.00 0.00 0.73 0.00 4.64 -1.02 -2.41 113.55 115.49 1sgm h SER 93 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1sgm h SER 93 Cb 0.91 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.00 1sgm h SER 93 CO 0.05 0.01 -0.03 0.06 -0.87 0.00 0.00 176.83 176.06 1sgm h GLN 94 N 0.00 0.00 0.00 4.77 3.07 -1.65 -3.16 115.11 118.14 1sgm h GLN 94 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.62 1sgm h GLN 94 Cb 0.17 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.71 1sgm h GLN 94 CO 0.00 0.03 -1.24 0.74 0.09 0.00 0.00 178.83 178.45 1sgm h PHE 95 N 0.00 0.00 0.00 0.06 -1.00 -1.66 -3.17 116.94 111.18 1sgm h PHE 95 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1sgm h PHE 95 Cb 0.41 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.97 1sgm h PHE 95 CO 0.00 0.43 0.00 -0.40 -1.61 0.00 0.00 178.31 176.73 1sgm n ASP 96 N -2.86 0.23 -3.25 2.17 5.68 -1.19 -4.16 116.55 113.16 1sgm n ASP 96 Ca -0.06 -0.82 0.01 0.00 -0.50 0.00 0.00 54.79 53.41 1sgm n ASP 96 Cb 0.76 -0.12 -0.03 0.00 -1.14 0.00 0.00 41.12 40.60 1sgm n ASP 96 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1sgm s ASN 97 N -1.02 -1.02 0.47 -1.12 3.04 -1.25 -5.03 114.94 109.00 1sgm s ASN 97 Ca 0.00 0.83 0.20 0.00 0.04 0.00 0.00 52.86 53.93 1sgm s ASN 97 Cb 0.00 1.96 1.19 0.00 -1.54 0.00 0.00 41.25 42.86 1sgm s ASN 97 CO 0.00 -0.26 1.95 0.00 -3.04 0.00 0.00 177.10 175.74 1sgm h THR 98 N 6.04 0.77 -0.50 -5.21 1.03 -1.83 -1.97 112.91 111.24 1sgm h THR 98 Ca -0.22 -0.09 -0.07 0.00 -0.01 0.00 0.00 66.41 66.03 1sgm h THR 98 Cb 1.15 0.49 -0.02 0.00 -1.07 0.00 0.00 68.15 68.70 1sgm h THR 98 CO 0.24 0.05 0.03 -0.08 -0.01 0.00 0.00 175.52 175.75 1sgm h GLU 99 N 0.26 0.81 -0.53 0.00 4.57 -1.94 -3.09 114.58 114.65 1sgm h GLU 99 Ca 0.33 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1sgm h GLU 99 Cb 0.93 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 1sgm h GLU 99 CO -0.07 0.79 0.00 -1.13 -1.18 0.00 0.00 179.01 177.42 1sgm n SER 100 N -4.23 2.87 -4.69 1.04 3.41 -0.75 -4.90 113.62 106.38 1sgm n SER 100 Ca 0.03 -2.14 -0.42 0.00 -0.26 0.00 0.00 58.87 56.07 1sgm n SER 100 Cb 0.29 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 63.82 1sgm n SER 100 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1sgm s ILE 101 N -1.55 4.06 -0.14 -1.33 1.01 -1.17 -4.78 121.20 117.30 1sgm s ILE 101 Ca 0.32 1.40 0.22 0.00 0.00 0.00 0.00 60.65 62.60 1sgm s ILE 101 Cb 0.19 -3.90 -0.28 0.00 0.01 0.00 0.00 42.46 38.47 1sgm s ILE 101 CO 0.19 -0.01 0.60 1.17 0.00 0.00 0.00 174.94 176.88 1sgm n LYS 102 N 5.34 0.60 0.00 2.79 3.00 -1.26 -5.07 118.16 123.56 1sgm n LYS 102 Ca 0.12 -0.14 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1sgm n LYS 102 Cb 0.45 -1.56 0.00 0.00 0.00 0.00 0.00 35.03 33.92 1sgm n LYS 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1sgm n GLY 103 N 1.27 0.32 2.97 3.14 0.00 -1.26 -3.52 105.19 108.11 1sgm n GLY 103 Ca -0.03 -1.76 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 1sgm n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sgm s ILE 104 N 0.00 2.64 0.03 -0.61 1.01 -1.03 -4.99 121.20 118.25 1sgm s ILE 104 Ca 0.00 -3.18 -0.06 0.00 0.00 0.00 0.00 60.65 57.42 1sgm s ILE 104 Cb 0.00 -2.84 -0.01 0.00 0.01 0.00 0.00 42.46 39.62 1sgm s ILE 104 CO 0.00 -0.78 0.38 -2.65 0.00 0.00 0.00 174.94 171.88 1sgm n PRO 105 N 3.28 -0.08 -0.02 2.79 -0.02 -1.26 -3.36 135.00 136.32 1sgm n PRO 105 Ca 0.05 0.37 -0.02 0.00 -2.02 0.00 0.00 63.50 61.88 1sgm n PRO 105 Cb 0.34 -0.55 -0.02 0.00 -0.02 0.00 0.00 33.50 33.25 1sgm n PRO 105 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1sgm n VAL 106 N -3.64 0.21 -0.24 -1.45 0.31 -1.26 -4.33 118.33 107.93 1sgm n VAL 106 Ca 0.00 -0.11 0.03 0.00 -0.01 0.00 0.00 64.34 64.25 1sgm n VAL 106 Cb 0.05 -0.81 0.16 0.00 -0.91 0.00 0.00 33.84 32.32 1sgm n VAL 106 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1sgm h GLY 107 N 0.48 1.05 0.91 2.92 0.00 -1.98 -1.27 103.07 105.18 1sgm h GLY 107 Ca -0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1sgm h GLY 107 CO -0.00 -0.04 -0.11 -2.00 0.00 0.00 0.00 176.54 174.39 1sgm h LEU 108 N 0.47 -0.25 -0.61 3.11 5.85 -1.87 -0.81 115.31 121.21 1sgm h LEU 108 Ca 0.37 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 59.04 1sgm h LEU 108 Cb 0.50 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1sgm h LEU 108 CO -0.35 -0.10 0.39 0.25 -0.34 0.00 0.00 178.44 178.29 1sgm h LEU 109 N -0.40 0.65 -0.48 2.25 6.46 -1.78 -1.92 115.31 120.10 1sgm h LEU 109 Ca -0.03 -0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.74 1sgm h LEU 109 Cb 0.30 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.05 1sgm h LEU 109 CO 0.05 0.46 0.29 0.00 -0.62 0.00 0.00 178.44 178.62 1sgm h ALA 110 N 1.24 0.61 0.00 1.25 0.00 -1.08 -1.10 119.26 120.19 1sgm h ALA 110 Ca 0.23 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1sgm h ALA 110 Cb -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1sgm h ALA 110 CO -0.08 -0.02 -0.42 0.77 0.00 0.00 0.00 179.25 179.50 1sgm h SER 111 N 0.57 0.00 0.94 0.00 0.02 -0.92 -0.66 113.55 113.50 1sgm h SER 111 Ca 0.19 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.96 1sgm h SER 111 Cb 0.01 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1sgm h SER 111 CO -0.09 0.42 -0.88 -0.33 -1.14 0.00 0.00 176.83 174.82 1sgm h GLU 112 N 0.00 0.00 -0.01 3.45 5.08 -0.80 -3.35 114.58 118.95 1sgm h GLU 112 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1sgm h GLU 112 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1sgm h GLU 112 CO 0.06 0.88 -0.19 0.25 -1.00 0.00 0.00 179.01 179.01 1sgm n THR 113 N -3.45 0.00 -0.25 1.13 -2.24 -0.47 -4.70 114.28 104.31 1sgm n THR 113 Ca -0.00 -0.41 0.05 0.00 -2.27 0.00 0.00 64.05 61.42 1sgm n THR 113 Cb 0.85 1.20 0.16 0.00 -2.10 0.00 0.00 70.33 70.44 1sgm n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sgm h ALA 114 N 2.46 0.82 -0.01 6.98 0.00 -1.26 -0.92 119.26 127.34 1sgm h ALA 114 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1sgm h ALA 114 Cb 0.50 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1sgm h ALA 114 CO 0.00 -0.40 -0.26 1.28 0.00 0.00 0.00 179.25 179.87 1sgm n LEU 115 N -5.28 0.80 -3.93 0.00 7.99 -1.26 -4.71 117.00 110.61 1sgm n LEU 115 Ca 0.13 -0.14 -0.28 0.00 -0.01 0.00 0.00 56.01 55.71 1sgm n LEU 115 Cb 0.46 -0.17 -0.17 0.00 -0.11 0.00 0.00 43.42 43.44 1sgm n LEU 115 CO 0.08 0.15 -0.45 0.27 -1.51 0.00 0.00 177.39 175.93 1sgm s ILE 116 N -2.59 1.17 0.00 -0.08 -4.36 -0.35 -4.98 121.20 110.01 1sgm s ILE 116 Ca 0.23 -0.40 0.00 0.00 -0.26 0.00 0.00 60.65 60.22 1sgm s ILE 116 Cb 0.19 -1.17 0.00 0.00 1.25 0.00 0.00 42.46 42.73 1sgm s ILE 116 CO 0.54 0.37 0.00 -0.24 0.24 0.00 0.00 174.94 175.85 1sgm n SER 117 N 4.90 -1.62 0.02 4.36 2.88 -1.25 -4.65 113.62 118.25 1sgm n SER 117 Ca -0.14 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.39 1sgm n SER 117 Cb 0.50 -0.81 0.25 0.00 -0.75 0.00 0.00 64.21 63.40 1sgm n SER 117 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1sgm h GLU 118 N 0.00 0.46 -0.45 -1.46 4.39 -1.87 -2.78 114.58 112.87 1sgm h GLU 118 Ca 0.00 -0.14 0.05 0.00 0.34 0.00 0.00 59.36 59.61 1sgm h GLU 118 Cb 0.00 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.56 1sgm h GLU 118 CO 0.00 0.61 0.18 -1.35 -1.16 0.00 0.00 179.01 177.29 1sgm h PRO 119 N 0.43 0.36 -0.17 2.33 0.11 -1.96 0.39 132.00 133.47 1sgm h PRO 119 Ca 0.08 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.12 1sgm h PRO 119 Cb 0.53 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 1sgm h PRO 119 CO 0.03 0.24 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.94 1sgm h LEU 120 N 0.37 0.35 -0.88 2.35 -0.00 -1.88 -1.83 115.31 113.79 1sgm h LEU 120 Ca 0.21 -0.38 0.05 0.00 -0.00 0.00 0.00 57.88 57.77 1sgm h LEU 120 Cb 0.18 -0.09 -0.06 0.00 -0.00 0.00 0.00 40.66 40.69 1sgm h LEU 120 CO -0.19 0.64 0.55 -0.09 -0.00 0.00 0.00 178.44 179.35 1sgm h ARG 121 N 0.05 1.00 -0.08 1.13 2.43 -1.20 0.90 114.38 118.59 1sgm h ARG 121 Ca 0.04 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1sgm h ARG 121 Cb 0.50 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1sgm h ARG 121 CO 0.02 0.66 0.05 1.15 -1.51 0.00 0.00 179.97 180.34 1sgm h THR 122 N 1.03 1.04 -0.70 0.20 2.02 -0.10 0.13 112.91 116.52 1sgm h THR 122 Ca 0.37 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.39 1sgm h THR 122 Cb 0.12 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 1sgm h THR 122 CO -0.16 0.03 0.15 0.58 0.37 0.00 0.00 175.52 176.50 1sgm h VAL 123 N 0.09 1.26 -0.59 3.16 2.07 -0.69 0.49 116.25 122.04 1sgm h VAL 123 Ca 0.03 -1.01 -0.10 0.00 0.82 0.00 0.00 66.70 66.45 1sgm h VAL 123 Cb 0.01 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 1sgm h VAL 123 CO -0.01 0.38 -0.01 0.00 0.02 0.00 0.00 177.57 177.96 1sgm h MET 125 N 0.95 0.49 -0.75 0.00 -1.53 -0.49 -0.28 114.93 113.32 1sgm h MET 125 Ca 0.17 -0.07 -0.04 0.00 -3.44 0.00 0.00 59.70 56.32 1sgm h MET 125 Cb 0.56 -0.09 -0.03 0.00 -0.55 0.00 0.00 31.60 31.49 1sgm h MET 125 CO 0.03 0.43 0.32 -0.22 0.14 0.00 0.00 176.91 177.62 1sgm h LYS 126 N 0.43 1.10 -0.27 0.39 3.64 -0.45 -2.42 116.57 118.98 1sgm h LYS 126 Ca 0.12 -0.18 -0.16 0.00 -1.27 0.00 0.00 60.65 59.17 1sgm h LYS 126 Cb 0.09 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1sgm h LYS 126 CO -0.02 0.87 -0.44 0.28 -2.27 0.00 0.00 179.45 177.88 1sgm h VAL 127 N 1.08 1.29 -0.70 2.00 2.07 -0.25 -2.71 116.25 119.03 1sgm h VAL 127 Ca 0.25 -1.63 0.02 0.00 0.82 0.00 0.00 66.70 66.16 1sgm h VAL 127 Cb 0.17 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 1sgm h VAL 127 CO -0.03 0.52 0.45 -0.26 0.02 0.00 0.00 177.57 178.28 1sgm h PHE 128 N 0.53 0.85 -0.98 1.57 0.05 -0.89 -1.59 116.94 116.48 1sgm h PHE 128 Ca 0.02 0.02 0.05 0.00 3.82 0.00 0.00 57.97 61.89 1sgm h PHE 128 Cb 1.04 -0.28 -0.06 0.00 2.00 0.00 0.00 35.95 38.64 1sgm h PHE 128 CO 0.08 0.51 0.63 0.87 -0.18 0.00 0.00 178.31 180.21 1sgm h LYS 129 N 0.90 1.14 -0.49 1.51 1.79 -1.38 -0.85 116.57 119.18 1sgm h LYS 129 Ca 0.27 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.66 1sgm h LYS 129 Cb -0.04 -0.26 -0.02 0.00 -1.58 0.00 0.00 32.23 30.33 1sgm h LYS 129 CO -0.08 0.76 0.25 0.66 -1.08 0.00 0.00 179.45 179.95 1sgm h SER 130 N 1.18 0.60 -0.06 0.86 4.64 -0.98 -0.07 113.55 119.72 1sgm h SER 130 Ca 0.41 -0.05 -0.13 0.00 -0.47 0.00 0.00 61.79 61.55 1sgm h SER 130 Cb 0.10 -0.15 0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1sgm h SER 130 CO -0.15 0.51 -0.46 -0.50 -0.87 0.00 0.00 176.83 175.36 1sgm h TRP 131 N 0.68 0.58 0.00 4.77 6.55 -0.63 -2.95 115.95 124.96 1sgm h TRP 131 Ca 0.17 -0.27 -0.06 0.00 0.95 0.00 0.00 58.89 59.68 1sgm h TRP 131 Cb 0.05 -0.08 -0.01 0.00 -0.86 0.00 0.00 29.16 28.26 1sgm h TRP 131 CO 0.00 1.05 -0.27 1.05 -1.05 0.00 0.00 178.44 179.22 1sgm h GLU 132 N -0.04 0.00 -0.30 0.49 4.11 -1.05 -2.36 114.58 115.42 1sgm h GLU 132 Ca -0.04 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.33 1sgm h GLU 132 Cb 1.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1sgm h GLU 132 CO 0.09 0.27 -0.08 0.00 0.07 0.00 0.00 179.01 179.36 1sgm h ALA 133 N 1.73 1.30 -0.56 1.06 0.00 -0.98 0.65 119.26 122.46 1sgm h ALA 133 Ca -0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1sgm h ALA 133 Cb 0.67 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1sgm h ALA 133 CO 0.04 0.47 0.18 0.28 0.00 0.00 0.00 179.25 180.21 1sgm h VAL 134 N 0.47 1.24 -0.36 0.00 2.07 -1.25 0.59 116.25 119.01 1sgm h VAL 134 Ca 0.09 -0.79 -0.11 0.00 0.82 0.00 0.00 66.70 66.71 1sgm h VAL 134 Cb 0.43 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1sgm h VAL 134 CO 0.02 0.30 -0.19 -0.26 0.02 0.00 0.00 177.57 177.46 1sgm h PHE 135 N 0.78 0.88 -0.55 1.57 0.05 -1.22 -2.76 116.94 115.69 1sgm h PHE 135 Ca 0.18 -0.22 -0.03 0.00 3.82 0.00 0.00 57.97 61.72 1sgm h PHE 135 Cb 0.28 -0.20 -0.02 0.00 2.00 0.00 0.00 35.95 38.00 1sgm h PHE 135 CO 0.02 0.96 0.23 0.00 -0.18 0.00 0.00 178.31 179.34 1sgm h ALA 136 N 0.78 0.72 -0.43 2.45 0.00 0.75 -2.30 119.26 121.23 1sgm h ALA 136 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1sgm h ALA 136 Cb 0.74 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1sgm h ALA 136 CO 0.06 0.32 0.28 0.00 0.00 0.00 0.00 179.25 179.90 1sgm h ARG 137 N 0.75 0.56 -0.49 0.00 3.08 0.20 -0.53 114.38 117.95 1sgm h ARG 137 Ca 0.19 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1sgm h ARG 137 Cb 0.18 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1sgm h ARG 137 CO -0.02 0.38 0.29 -0.22 -1.07 0.00 0.00 179.97 179.33 1sgm h LYS 138 N 0.58 0.66 -0.60 0.04 1.63 -1.33 -1.40 116.57 116.15 1sgm h LYS 138 Ca 0.16 -0.06 -0.08 0.00 -0.85 0.00 0.00 60.65 59.81 1sgm h LYS 138 Cb -0.06 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.41 1sgm h LYS 138 CO -0.03 0.49 0.04 -0.07 -3.45 0.00 0.00 179.45 176.43 1sgm h LEU 139 N 0.65 0.99 -1.79 5.20 3.38 -1.20 -2.27 115.31 120.27 1sgm h LEU 139 Ca 0.17 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1sgm h LEU 139 Cb 0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1sgm h LEU 139 CO -0.03 1.02 0.01 0.24 0.09 0.00 0.00 178.44 179.76 1sgm h MET 140 N 0.94 0.13 0.00 1.13 2.86 -0.71 0.15 114.93 119.44 1sgm h MET 140 Ca 0.18 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1sgm h MET 140 Cb 0.49 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1sgm h MET 140 CO 0.02 0.14 0.00 0.39 1.06 0.00 0.00 176.91 178.52 1sgm n GLU 141 N -4.46 0.56 -0.26 1.72 1.02 -0.56 -2.80 120.64 115.86 1sgm n GLU 141 Ca -0.02 0.03 0.08 0.00 -0.02 0.00 0.00 57.16 57.24 1sgm n GLU 141 Cb 0.13 -1.50 0.14 0.00 -0.02 0.00 0.00 31.44 30.19 1sgm n GLU 141 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1sgm n ASN 142 N -1.12 1.98 0.00 1.62 3.02 0.52 -5.00 115.26 116.27 1sgm n ASN 142 Ca 0.15 -3.14 0.00 0.00 -0.03 0.00 0.00 54.58 51.55 1sgm n ASN 142 Cb 0.12 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 1sgm n ASN 142 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sgm n GLY 143 N -1.20 2.59 3.77 7.41 0.00 -1.12 -5.06 105.19 111.58 1sgm n GLY 143 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1sgm n GLY 143 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sgm s PHE 144 N -2.66 3.29 0.62 1.61 0.40 -1.07 -4.99 117.98 115.18 1sgm s PHE 144 Ca 0.00 1.61 -0.15 0.00 -0.60 0.00 0.00 56.93 57.79 1sgm s PHE 144 Cb 0.00 -3.33 -0.02 0.00 0.51 0.00 0.00 43.02 40.18 1sgm s PHE 144 CO 0.00 -0.96 1.07 0.00 0.70 0.00 0.00 175.22 176.03 1sgm s ALA 145 N -1.34 2.68 0.19 5.36 0.00 -1.26 -4.19 121.76 123.20 1sgm s ALA 145 Ca 0.52 0.38 -0.17 0.00 0.00 0.00 0.00 51.96 52.69 1sgm s ALA 145 Cb -0.30 -3.24 0.16 0.00 0.00 0.00 0.00 23.12 19.74 1sgm s ALA 145 CO 0.39 -0.94 1.63 1.49 0.00 0.00 0.00 175.76 178.32 1sgm h GLU 146 N 0.22 -0.07 -0.47 0.00 4.81 -1.95 0.44 114.58 117.55 1sgm h GLU 146 Ca -0.46 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 1sgm h GLU 146 Cb 1.22 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.60 1sgm h GLU 146 CO 0.57 -0.04 0.26 0.93 -0.73 0.00 0.00 179.01 179.99 1sgm h GLU 147 N -0.07 0.66 -0.31 1.92 3.07 -1.99 0.97 114.58 118.82 1sgm h GLU 147 Ca 0.25 -0.08 -0.15 0.00 -0.50 0.00 0.00 59.36 58.88 1sgm h GLU 147 Cb 0.45 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 1sgm h GLU 147 CO -0.57 0.52 -0.41 0.93 -1.40 0.00 0.00 179.01 178.08 1sgm h GLU 148 N 0.62 0.77 -0.52 2.33 5.08 -1.77 -2.69 114.58 118.40 1sgm h GLU 148 Ca 0.17 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 1sgm h GLU 148 Cb 0.05 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1sgm h GLU 148 CO -0.03 1.03 0.17 0.00 -1.00 0.00 0.00 179.01 179.18 1sgm h ALA 149 N 0.91 0.68 -0.38 3.43 0.00 0.10 -2.63 119.26 121.36 1sgm h ALA 149 Ca 0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1sgm h ALA 149 Cb 0.96 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1sgm h ALA 149 CO 0.09 0.33 0.08 -0.91 0.00 0.00 0.00 179.25 178.84 1sgm h ASN 150 N 0.70 0.52 -0.31 0.00 -0.26 -0.73 -2.30 115.58 113.20 1sgm h ASN 150 Ca 0.17 -0.08 -0.10 0.00 -0.56 0.00 0.00 56.30 55.73 1sgm h ASN 150 Cb 0.26 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.38 1sgm h ASN 150 CO -0.01 0.53 -0.21 1.56 -1.06 0.00 0.00 177.43 178.24 1sgm h GLN 151 N 0.55 0.70 0.00 0.81 4.20 -1.18 -2.37 115.11 117.82 1sgm h GLN 151 Ca 0.13 -0.33 -0.05 0.00 0.06 0.00 0.00 58.65 58.45 1sgm h GLN 151 Cb 0.23 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1sgm h GLN 151 CO -0.00 0.94 -0.26 -0.07 -0.67 0.00 0.00 178.83 178.77 1sgm h LEU 152 N 0.46 0.00 0.40 1.46 3.38 -1.36 -1.53 115.31 118.11 1sgm h LEU 152 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1sgm h LEU 152 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1sgm h LEU 152 CO 0.06 0.26 -0.19 1.23 0.09 0.00 0.00 178.44 179.89 1sgm h GLY 153 N 1.14 -0.56 2.00 0.83 0.00 -1.11 0.15 103.07 105.52 1sgm h GLY 153 Ca -0.00 0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.48 1sgm h GLY 153 CO 0.03 -0.20 -0.24 0.00 0.00 0.00 0.00 176.54 176.13 1sgm h THR 154 N -0.76 1.02 -0.04 4.70 1.03 -1.29 -0.62 112.91 116.94 1sgm h THR 154 Ca -0.05 -0.87 -0.03 0.00 -0.01 0.00 0.00 66.41 65.45 1sgm h THR 154 Cb 0.52 1.49 0.00 0.00 -1.07 0.00 0.00 68.15 69.09 1sgm h THR 154 CO 0.09 0.24 -0.09 0.25 -0.01 0.00 0.00 175.52 175.99 1sgm h LEU 155 N 0.00 0.15 -1.02 0.00 5.85 -1.13 -1.78 115.31 117.38 1sgm h LEU 155 Ca -0.00 -0.58 -0.03 0.00 0.84 0.00 0.00 57.88 58.10 1sgm h LEU 155 Cb 0.47 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1sgm h LEU 155 CO 0.03 0.71 0.31 0.40 -0.34 0.00 0.00 178.44 179.55 1sgm h ILE 156 N -0.39 1.23 -0.29 4.05 2.04 -0.52 -1.44 117.51 122.19 1sgm h ILE 156 Ca -0.00 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 1sgm h ILE 156 Cb 0.69 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1sgm h ILE 156 CO 0.02 0.28 0.02 -1.13 0.00 0.00 0.00 178.15 177.34 1sgm h ASN 157 N 1.00 0.48 -0.72 1.72 -0.00 -1.13 -1.82 115.58 115.12 1sgm h ASN 157 Ca 0.24 -0.29 -0.01 0.00 -0.00 0.00 0.00 56.30 56.24 1sgm h ASN 157 Cb 0.14 -0.13 -0.03 0.00 -0.00 0.00 0.00 38.32 38.30 1sgm h ASN 157 CO -0.03 0.65 0.40 0.77 -0.00 0.00 0.00 177.43 179.22 1sgm h SER 158 N 0.29 0.89 -0.67 1.15 4.64 -1.12 -1.86 113.55 116.88 1sgm h SER 158 Ca 0.08 -0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1sgm h SER 158 Cb 0.39 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 1sgm h SER 158 CO 0.01 0.72 0.27 0.24 -0.87 0.00 0.00 176.83 177.20 1sgm h MET 159 N 0.99 1.00 -0.52 4.77 2.86 -1.13 -1.36 114.93 121.53 1sgm h MET 159 Ca 0.25 -0.18 -0.10 0.00 -2.06 0.00 0.00 59.70 57.62 1sgm h MET 159 Cb 0.02 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 1sgm h MET 159 CO -0.04 0.83 -0.04 0.82 1.06 0.00 0.00 176.91 179.54 1sgm h ILE 160 N 0.94 1.27 -0.43 -1.22 2.04 -1.05 0.48 117.51 119.54 1sgm h ILE 160 Ca 0.22 -1.17 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 1sgm h ILE 160 Cb 0.21 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1sgm h ILE 160 CO -0.02 0.41 0.26 -0.08 0.00 0.00 0.00 178.15 178.72 1sgm h GLU 161 N 0.83 0.59 -0.74 2.37 4.57 -1.15 0.97 114.58 122.01 1sgm h GLU 161 Ca 0.14 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 1sgm h GLU 161 Cb 0.59 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.02 1sgm h GLU 161 CO 0.04 0.45 0.40 0.78 -1.18 0.00 0.00 179.01 179.50 1sgm h GLY 162 N 0.57 1.11 1.28 1.92 0.00 -1.04 -1.44 103.07 105.47 1sgm h GLY 162 Ca 0.16 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 1sgm h GLY 162 CO -0.03 0.49 0.09 -1.33 0.00 0.00 0.00 176.54 175.76 1sgm h GLY 163 N 1.03 0.96 0.90 4.60 0.00 -0.24 -2.12 103.07 108.19 1sgm h GLY 163 Ca 0.26 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 1sgm h GLY 163 CO -0.04 0.56 -0.05 -2.22 0.00 0.00 0.00 176.54 174.79 1sgm h ILE 164 N 0.84 1.27 -0.40 2.60 2.04 -0.41 0.58 117.51 124.03 1sgm h ILE 164 Ca 0.17 -1.07 0.02 0.00 1.00 0.00 0.00 64.86 64.99 1sgm h ILE 164 Cb 0.38 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1sgm h ILE 164 CO 0.01 0.35 0.22 -0.03 0.00 0.00 0.00 178.15 178.69 1sgm h MET 165 N 0.38 0.43 -0.39 2.37 4.05 -1.05 0.17 114.93 120.89 1sgm h MET 165 Ca 0.08 -0.03 -0.16 0.00 -0.28 0.00 0.00 59.70 59.32 1sgm h MET 165 Cb 0.53 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 1sgm h MET 165 CO 0.03 0.29 -0.38 1.25 0.23 0.00 0.00 176.91 178.32 1sgm h LEU 166 N 0.45 1.01 -0.85 3.39 6.46 -1.35 -0.81 115.31 123.60 1sgm h LEU 166 Ca 0.17 -0.47 -0.09 0.00 -0.12 0.00 0.00 57.88 57.38 1sgm h LEU 166 Cb 0.04 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 39.67 1sgm h LEU 166 CO -0.10 1.27 -0.07 0.28 -0.62 0.00 0.00 178.44 179.20 1sgm h SER 167 N 0.77 0.76 -0.25 1.25 0.02 -0.57 0.88 113.55 116.40 1sgm h SER 167 Ca 0.06 -0.21 -0.08 0.00 -0.84 0.00 0.00 61.79 60.73 1sgm h SER 167 Cb 0.98 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 1sgm h SER 167 CO 0.10 0.87 -0.14 0.25 -1.14 0.00 0.00 176.83 176.77 1sgm h LEU 168 N 0.71 0.56 -0.79 5.07 5.85 -0.54 0.58 115.31 126.75 1sgm h LEU 168 Ca 0.13 -0.42 -0.05 0.00 0.84 0.00 0.00 57.88 58.38 1sgm h LEU 168 Cb 0.54 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1sgm h LEU 168 CO 0.03 0.86 0.30 0.74 -0.34 0.00 0.00 178.44 180.03 1sgm h THR 169 N 0.27 1.26 -0.00 1.05 2.02 -0.96 -2.52 112.91 114.02 1sgm h THR 169 Ca 0.05 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.39 1sgm h THR 169 Cb 0.65 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1sgm h THR 169 CO 0.04 0.34 -0.22 0.59 0.37 0.00 0.00 175.52 176.65 1sgm n ASN 170 N -4.28 0.52 -3.15 4.18 3.02 0.29 -4.92 115.26 110.92 1sgm n ASN 170 Ca 0.07 -0.40 -0.21 0.00 -0.03 0.00 0.00 54.58 54.01 1sgm n ASN 170 Cb 0.19 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1sgm n ASN 170 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1sgm n LYS 171 N -1.11 -3.38 -3.78 3.52 4.76 0.19 -4.92 118.16 113.44 1sgm n LYS 171 Ca 0.11 0.55 -0.13 0.00 -2.87 0.00 0.00 58.31 55.97 1sgm n LYS 171 Cb 0.31 -5.25 -0.10 0.00 -1.84 0.00 0.00 35.03 28.15 1sgm n LYS 171 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1sgm s ASP 172 N -2.59 -0.24 0.00 4.39 -1.08 -0.53 -4.88 116.67 111.74 1sgm s ASP 172 Ca 0.31 0.38 0.29 0.00 -0.52 0.00 0.00 52.55 53.01 1sgm s ASP 172 Cb -0.16 0.48 1.37 0.00 -1.46 0.00 0.00 42.92 43.15 1sgm s ASP 172 CO 0.39 -0.22 1.94 2.29 0.52 0.00 0.00 175.17 180.08 1sgm n LYS 173 N 2.33 0.89 -0.22 4.34 2.85 -1.26 -4.26 118.16 122.84 1sgm n LYS 173 Ca -0.16 -0.28 0.01 0.00 -1.05 0.00 0.00 58.31 56.83 1sgm n LYS 173 Cb 0.57 -1.49 0.09 0.00 -0.65 0.00 0.00 35.03 33.54 1sgm n LYS 173 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1sgm h THR 174 N 0.68 0.39 -0.61 0.58 2.02 -1.95 -1.18 112.91 112.83 1sgm h THR 174 Ca 0.00 -0.01 0.12 0.00 0.77 0.00 0.00 66.41 67.29 1sgm h THR 174 Cb 0.29 0.34 -0.12 0.00 -1.74 0.00 0.00 68.15 66.93 1sgm h THR 174 CO 0.00 0.01 -0.16 -0.65 0.37 0.00 0.00 175.52 175.08 1sgm h PRO 175 N 0.04 -0.01 -0.41 6.66 0.11 -1.88 -0.01 132.00 136.49 1sgm h PRO 175 Ca 0.33 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.36 1sgm h PRO 175 Cb 0.52 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 1sgm h PRO 175 CO -0.63 -0.01 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.03 1sgm h LEU 176 N -0.01 0.66 -0.71 2.35 3.38 -1.43 -2.25 115.31 117.30 1sgm h LEU 176 Ca 0.29 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 1sgm h LEU 176 Cb 0.46 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1sgm h LEU 176 CO -0.63 0.77 -0.19 -0.07 0.09 0.00 0.00 178.44 178.40 1sgm h LEU 177 N 0.64 0.79 -0.61 1.67 3.38 -0.80 -2.03 115.31 118.36 1sgm h LEU 177 Ca 0.12 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1sgm h LEU 177 Cb 0.47 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1sgm h LEU 177 CO 0.02 0.98 0.37 -0.07 0.09 0.00 0.00 178.44 179.83 1sgm h LEU 178 N 0.69 0.60 -0.76 1.67 4.07 -0.60 -1.80 115.31 119.18 1sgm h LEU 178 Ca 0.10 0.01 -0.06 0.00 0.08 0.00 0.00 57.88 58.01 1sgm h LEU 178 Cb 0.70 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.29 1sgm h LEU 178 CO 0.05 0.42 0.22 0.40 -1.08 0.00 0.00 178.44 178.45 1sgm h ILE 179 N 0.73 1.26 -1.01 1.22 2.04 -1.17 -2.81 117.51 117.77 1sgm h ILE 179 Ca 0.25 -0.93 0.03 0.00 1.00 0.00 0.00 64.86 65.21 1sgm h ILE 179 Cb 0.04 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 1sgm h ILE 179 CO -0.11 0.36 0.66 0.00 0.00 0.00 0.00 178.15 179.07 1sgm h ALA 180 N 1.13 1.31 0.00 1.87 0.00 -0.62 -1.36 119.26 121.59 1sgm h ALA 180 Ca 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1sgm h ALA 180 Cb 0.32 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1sgm h ALA 180 CO -0.01 0.60 0.00 0.39 0.00 0.00 0.00 179.25 180.24 1sgm n GLU 181 N -4.42 0.31 -0.01 0.00 1.02 -0.77 -2.68 120.64 114.09 1sgm n GLU 181 Ca 0.13 0.09 0.08 0.00 -0.02 0.00 0.00 57.16 57.43 1sgm n GLU 181 Cb 0.06 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 29.86 1sgm n GLU 181 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1sgm n GLN 182 N -1.15 0.83 -0.30 3.49 1.13 -0.52 -4.62 117.38 116.24 1sgm n GLN 182 Ca 0.08 -0.11 0.11 0.00 -1.94 0.00 0.00 57.00 55.14 1sgm n GLN 182 Cb 0.08 -1.35 0.28 0.00 0.11 0.00 0.00 30.24 29.36 1sgm n GLN 182 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1sgm h ILE 183 N 0.00 0.59 -0.10 5.09 2.04 -1.49 -2.57 117.51 121.07 1sgm h ILE 183 Ca 0.00 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.72 1sgm h ILE 183 Cb 0.64 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 1sgm h ILE 183 CO 0.00 0.09 -0.11 -0.65 0.00 0.00 0.00 178.15 177.48 1sgm h PRO 184 N 0.51 -0.13 -0.26 2.37 0.11 -1.82 0.26 132.00 133.03 1sgm h PRO 184 Ca 0.52 0.01 -0.14 0.00 0.11 0.00 0.00 66.00 66.51 1sgm h PRO 184 Cb 0.90 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 1sgm h PRO 184 CO -0.46 -0.09 -0.41 -0.39 -0.21 0.00 0.00 178.00 176.45 1sgm h VAL 185 N -0.14 1.30 -0.37 3.15 -1.51 -1.79 -3.04 116.25 113.85 1sgm h VAL 185 Ca 0.07 -1.58 -0.09 0.00 -1.23 0.00 0.00 66.70 63.87 1sgm h VAL 185 Cb 0.24 1.54 -0.01 0.00 -2.13 0.00 0.00 31.29 30.93 1sgm h VAL 185 CO -0.18 0.50 -0.12 -0.07 -1.23 0.00 0.00 177.57 176.47 1sgm h LEU 186 N 0.51 0.74 -7.87 4.19 3.38 -1.38 -3.22 115.31 111.66 1sgm h LEU 186 Ca 0.04 -0.38 -0.70 0.00 0.09 0.00 0.00 57.88 56.93 1sgm h LEU 186 Cb 0.93 -0.20 -0.16 0.00 0.09 0.00 0.00 40.66 41.32 1sgm h LEU 186 CO 0.08 0.95 1.25 -0.69 0.09 0.00 0.00 178.44 180.12 1sgm s VAL 187 N -4.73 4.71 0.00 1.22 1.01 0.07 -5.11 120.40 117.58 1sgm s VAL 187 Ca -0.13 -1.97 0.00 0.00 0.00 0.00 0.00 61.98 59.89 1sgm s VAL 187 Cb 0.10 -4.90 0.00 0.00 0.00 0.00 0.00 36.38 31.57 1sgm s VAL 187 CO 0.81 -1.65 0.00 -1.14 0.00 0.00 0.00 175.10 173.12