#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqz h ILE 8 N 0.00 0.80 -0.68 1.69 2.04 -1.99 -2.91 117.51 116.45 3gqz h ILE 8 Ca 0.00 -0.70 0.07 0.00 1.00 0.00 0.00 64.86 65.23 3gqz h ILE 8 Cb 0.00 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 3gqz h ILE 8 CO 0.00 0.14 0.45 -0.55 0.00 0.00 0.00 178.15 178.19 3gqz h ASN 9 N -0.71 0.58 0.33 1.72 7.08 -2.01 -1.42 115.58 121.15 3gqz h ASN 9 Ca -0.03 0.01 -0.02 0.00 -3.08 0.00 0.00 56.30 53.18 3gqz h ASN 9 Cb 0.49 -0.12 0.00 0.00 -2.08 0.00 0.00 38.32 36.61 3gqz h ASN 9 CO 0.06 0.37 -0.16 -0.78 -2.08 0.00 0.00 177.43 174.83 3gqz h ASP 10 N 0.66 -0.38 -0.39 6.14 3.58 -2.00 -1.77 116.42 122.26 3gqz h ASP 10 Ca 0.30 -0.17 -0.05 0.00 0.42 0.00 0.00 57.03 57.53 3gqz h ASP 10 Cb 0.33 0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 3gqz h ASP 10 CO -0.10 0.01 0.07 -0.29 -2.88 0.00 0.00 179.24 176.05 3gqz h ILE 11 N -0.84 1.22 -0.06 2.25 6.09 -1.35 -1.32 117.51 123.50 3gqz h ILE 11 Ca -0.05 -0.83 -0.01 0.00 -1.37 0.00 0.00 64.86 62.61 3gqz h ILE 11 Cb 0.52 0.79 -0.00 0.00 0.47 0.00 0.00 36.82 38.60 3gqz h ILE 11 CO 0.08 0.30 0.02 0.58 -3.07 0.00 0.00 178.15 176.05 3gqz h VAL 12 N 0.69 1.18 -0.40 2.19 2.07 -1.30 -1.68 116.25 119.00 3gqz h VAL 12 Ca 0.15 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.12 3gqz h VAL 12 Cb 0.33 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 3gqz h VAL 12 CO 0.01 0.15 0.25 -0.74 0.02 0.00 0.00 177.57 177.26 3gqz h HIS 13 N -0.11 0.51 0.00 1.57 -0.00 -1.15 0.12 115.15 116.09 3gqz h HIS 13 Ca 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.39 3gqz h HIS 13 Cb 0.23 -0.17 -0.00 0.00 -0.00 0.00 0.00 27.41 27.47 3gqz h HIS 13 CO 0.00 0.34 -0.00 0.00 -0.00 0.00 0.00 177.93 178.27 3gqz h ARG 14 N 0.53 0.00 0.00 5.26 3.08 -1.22 -2.94 114.38 119.09 3gqz h ARG 14 Ca 0.14 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.87 3gqz h ARG 14 Cb -0.03 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 3gqz h ARG 14 CO -0.03 0.00 -2.06 2.41 -1.07 0.00 0.00 179.97 179.22 3gqz n THR 15 N -3.09 1.49 -0.00 2.04 -1.04 -0.64 -4.57 114.28 108.46 3gqz n THR 15 Ca 0.01 -0.22 -0.17 0.00 -2.04 0.00 0.00 64.05 61.62 3gqz n THR 15 Cb 0.32 -2.00 -0.10 0.00 -1.82 0.00 0.00 70.33 66.72 3gqz n THR 15 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3gqz h ILE 16 N -0.97 1.41 -0.21 12.58 1.08 -0.90 -3.09 117.51 127.41 3gqz h ILE 16 Ca -0.49 -2.02 0.03 0.00 -0.39 0.00 0.00 64.86 62.00 3gqz h ILE 16 Cb 1.42 2.50 -0.03 0.00 -3.07 0.00 0.00 36.82 37.64 3gqz h ILE 16 CO -0.30 0.59 0.02 0.74 -0.69 0.00 0.00 178.15 178.52 3gqz h THR 17 N -0.05 0.88 -0.59 -0.27 2.02 -1.64 -0.47 112.91 112.80 3gqz h THR 17 Ca -0.07 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 67.10 3gqz h THR 17 Cb 1.27 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 3gqz h THR 17 CO 0.11 0.02 0.39 -0.65 0.37 0.00 0.00 175.52 175.76 3gqz h PRO 18 N 0.10 0.70 -0.72 6.66 0.11 -1.75 -2.69 132.00 134.40 3gqz h PRO 18 Ca 0.10 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.17 3gqz h PRO 18 Cb 0.10 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 31.02 3gqz h PRO 18 CO -0.14 0.46 0.47 1.25 -0.21 0.00 0.00 178.00 179.83 3gqz h LEU 19 N 0.72 0.84 -0.86 2.35 5.85 -1.13 -0.83 115.31 122.24 3gqz h LEU 19 Ca 0.23 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3gqz h LEU 19 Cb 0.03 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 3gqz h LEU 19 CO -0.06 0.61 0.45 0.40 -0.34 0.00 0.00 178.44 179.51 3gqz h ILE 20 N 0.98 1.26 -0.29 4.05 2.04 -0.83 -0.77 117.51 123.95 3gqz h ILE 20 Ca 0.26 -0.66 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 3gqz h ILE 20 Cb -0.10 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.08 3gqz h ILE 20 CO -0.06 0.29 -0.04 -0.33 0.00 0.00 0.00 178.15 178.02 3gqz h GLU 21 N 1.21 0.54 -0.44 2.37 5.08 -1.20 -0.69 114.58 121.46 3gqz h GLU 21 Ca 0.30 -0.19 -0.13 0.00 -1.00 0.00 0.00 59.36 58.34 3gqz h GLU 21 Cb 0.06 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3gqz h GLU 21 CO -0.04 0.72 -0.24 -0.56 -1.00 0.00 0.00 179.01 177.89 3gqz h GLN 22 N 0.32 0.92 -0.01 2.33 3.07 -0.94 -3.19 115.11 117.61 3gqz h GLN 22 Ca 0.08 -0.40 0.00 0.00 0.09 0.00 0.00 58.65 58.42 3gqz h GLN 22 Cb 0.50 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.04 3gqz h GLN 22 CO 0.02 1.06 -0.32 1.04 0.09 0.00 0.00 178.83 180.72 3gqz n GLN 23 N -4.10 0.95 -3.62 0.06 1.13 -0.31 -4.97 117.38 106.52 3gqz n GLN 23 Ca -0.00 -0.64 -0.22 0.00 -1.94 0.00 0.00 57.00 54.20 3gqz n GLN 23 Cb 0.46 -1.49 0.04 0.00 0.11 0.00 0.00 30.24 29.37 3gqz n GLN 23 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3gqz n LYS 24 N -0.46 -4.10 -2.92 -1.09 5.02 -0.34 -4.95 118.16 109.31 3gqz n LYS 24 Ca 0.11 0.64 -0.41 0.00 -2.02 0.00 0.00 58.31 56.63 3gqz n LYS 24 Cb 0.38 -5.15 -0.04 0.00 -0.02 0.00 0.00 35.03 30.20 3gqz n LYS 24 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3gqz s ILE 25 N -3.58 4.89 0.14 -0.18 1.01 -0.76 -4.98 121.20 117.75 3gqz s ILE 25 Ca 0.14 1.55 -0.14 0.00 0.00 0.00 0.00 60.65 62.19 3gqz s ILE 25 Cb -0.03 -4.10 0.02 0.00 0.01 0.00 0.00 42.46 38.35 3gqz s ILE 25 CO 0.80 0.01 1.64 -0.65 0.00 0.00 0.00 174.94 176.74 3gqz h PRO 26 N 7.47 0.77 -3.07 2.79 0.11 -1.88 -3.46 132.00 134.73 3gqz h PRO 26 Ca -0.28 -0.19 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 3gqz h PRO 26 Cb 1.12 -0.10 -0.23 0.00 0.11 0.00 0.00 31.00 31.91 3gqz h PRO 26 CO 0.84 0.77 -0.34 0.20 -0.21 0.00 0.00 178.00 179.25 3gqz s GLY 27 N -3.22 -0.17 -0.06 -0.55 0.00 -1.20 -0.93 107.32 101.20 3gqz s GLY 27 Ca -0.13 0.55 -0.09 0.00 0.00 0.00 0.00 44.72 45.05 3gqz s GLY 27 CO 0.79 0.39 0.23 -0.29 0.00 0.00 0.00 173.10 174.23 3gqz s MET 28 N -0.57 0.37 -0.03 2.90 1.75 -0.39 -2.37 119.30 120.96 3gqz s MET 28 Ca -0.07 0.13 0.03 0.00 -1.25 0.00 0.00 55.69 54.53 3gqz s MET 28 Cb -0.04 0.17 0.00 0.00 2.84 0.00 0.00 34.83 37.80 3gqz s MET 28 CO 0.02 -0.07 -0.13 0.00 -0.65 0.00 0.00 175.02 174.20 3gqz s ALA 29 N -0.35 1.15 -0.03 4.11 0.00 -0.10 -1.13 121.76 125.40 3gqz s ALA 29 Ca -0.05 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.46 3gqz s ALA 29 Cb -0.03 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.69 3gqz s ALA 29 CO 0.01 0.20 -0.11 0.08 0.00 0.00 0.00 175.76 175.94 3gqz s VAL 30 N 0.14 0.93 -0.10 0.00 1.01 0.06 -0.87 120.40 121.57 3gqz s VAL 30 Ca -0.04 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.55 3gqz s VAL 30 Cb -0.10 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 3gqz s VAL 30 CO 0.01 0.29 -0.20 0.00 0.00 0.00 0.00 175.10 175.20 3gqz s ALA 31 N 0.27 2.34 -0.18 5.51 0.00 -0.65 -1.04 121.76 128.00 3gqz s ALA 31 Ca -0.05 -0.96 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 3gqz s ALA 31 Cb -0.10 -0.93 -0.02 0.00 0.00 0.00 0.00 23.12 22.07 3gqz s ALA 31 CO 0.01 0.31 -0.02 0.08 0.00 0.00 0.00 175.76 176.14 3gqz s VAL 32 N 0.22 3.83 -0.34 0.00 1.01 -0.27 -0.97 120.40 123.88 3gqz s VAL 32 Ca -0.13 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.34 3gqz s VAL 32 Cb -0.16 -2.71 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 3gqz s VAL 32 CO 0.07 0.45 0.37 -0.63 0.00 0.00 0.00 175.10 175.36 3gqz s ILE 33 N 0.81 5.16 -0.11 2.22 1.09 0.17 -0.39 121.20 130.16 3gqz s ILE 33 Ca -0.00 0.04 0.00 0.00 -1.10 0.00 0.00 60.65 59.59 3gqz s ILE 33 Cb -0.14 -3.83 0.02 0.00 -1.06 0.00 0.00 42.46 37.45 3gqz s ILE 33 CO 0.02 -0.10 -0.10 -0.47 -0.10 0.00 0.00 174.94 174.18 3gqz s TYR 34 N 2.02 1.62 -1.15 3.97 5.04 -0.44 -1.09 117.35 127.33 3gqz s TYR 34 Ca 0.12 -0.78 -0.07 0.00 -2.44 0.00 0.00 57.07 53.90 3gqz s TYR 34 Cb -0.17 -1.27 0.05 0.00 0.35 0.00 0.00 41.96 40.93 3gqz s TYR 34 CO 0.12 -0.48 0.34 1.04 -1.34 0.00 0.00 175.55 175.23 3gqz n GLN 35 N 4.61 -3.04 -0.63 4.97 6.02 -0.95 -1.88 117.38 126.48 3gqz n GLN 35 Ca -0.16 0.46 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 3gqz n GLN 35 Cb 0.50 -5.12 0.00 0.00 1.02 0.00 0.00 30.24 26.64 3gqz n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gqz n GLY 36 N -1.04 0.79 3.35 1.08 0.00 -1.15 -5.04 105.19 103.19 3gqz n GLY 36 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 3gqz n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqz s LYS 37 N -0.37 2.43 0.23 1.61 1.02 -0.79 -5.03 119.74 118.84 3gqz s LYS 37 Ca 0.00 -0.84 -0.20 0.00 0.02 0.00 0.00 55.97 54.95 3gqz s LYS 37 Cb 0.00 -2.21 -0.08 0.00 -0.52 0.00 0.00 37.83 35.02 3gqz s LYS 37 CO 0.00 0.51 0.75 -1.25 -0.92 0.00 0.00 175.35 174.44 3gqz s PRO 38 N -0.46 4.30 -0.10 -1.68 0.04 -1.26 -1.33 135.00 134.51 3gqz s PRO 38 Ca 0.05 0.93 0.02 0.00 0.04 0.00 0.00 61.00 62.04 3gqz s PRO 38 Cb -0.12 -2.88 0.02 0.00 0.04 0.00 0.00 34.50 31.56 3gqz s PRO 38 CO 0.01 0.39 -0.14 0.71 0.04 0.00 0.00 177.00 178.01 3gqz s TYR 39 N -1.52 1.80 -0.06 0.56 1.51 0.48 -4.96 117.35 115.16 3gqz s TYR 39 Ca 0.44 -0.81 0.01 0.00 -1.01 0.00 0.00 57.07 55.70 3gqz s TYR 39 Cb -0.17 -1.32 -0.03 0.00 -0.11 0.00 0.00 41.96 40.33 3gqz s TYR 39 CO 0.21 -0.43 -0.06 0.71 -1.11 0.00 0.00 175.55 174.87 3gqz s TYR 40 N 0.97 2.94 -0.01 2.71 2.02 -1.26 -1.11 117.35 123.62 3gqz s TYR 40 Ca -0.08 0.02 0.00 0.00 -0.37 0.00 0.00 57.07 56.65 3gqz s TYR 40 Cb -0.15 -1.70 0.01 0.00 -0.40 0.00 0.00 41.96 39.72 3gqz s TYR 40 CO -0.01 0.35 -0.00 -0.06 -1.57 0.00 0.00 175.55 174.26 3gqz s PHE 41 N -0.85 0.10 0.06 2.71 0.40 -0.21 -5.02 117.98 115.17 3gqz s PHE 41 Ca 0.13 0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.49 3gqz s PHE 41 Cb -0.11 -0.12 -0.03 0.00 0.51 0.00 0.00 43.02 43.27 3gqz s PHE 41 CO 0.03 -0.03 -0.07 0.95 0.70 0.00 0.00 175.22 176.80 3gqz s THR 42 N 0.26 0.57 -0.01 0.64 -4.23 -1.26 -0.76 115.64 110.85 3gqz s THR 42 Ca -0.02 -1.39 -0.04 0.00 -1.18 0.00 0.00 61.69 59.06 3gqz s THR 42 Cb -0.04 -0.99 -0.00 0.00 1.34 0.00 0.00 72.50 72.81 3gqz s THR 42 CO -0.01 -0.57 0.07 0.26 -0.54 0.00 0.00 174.62 173.83 3gqz s TRP 43 N -2.23 0.04 0.00 3.99 0.51 -0.29 -5.00 118.94 115.96 3gqz s TRP 43 Ca -0.02 -0.09 0.00 0.00 -2.12 0.00 0.00 56.10 53.87 3gqz s TRP 43 Cb -0.04 -0.05 0.00 0.00 -0.81 0.00 0.00 33.47 32.57 3gqz s TRP 43 CO -0.02 -0.16 0.00 0.41 -0.51 0.00 0.00 176.95 176.67 3gqz n GLY 44 N 2.15 0.53 3.36 0.98 0.00 -1.26 -1.27 105.19 109.68 3gqz n GLY 44 Ca -0.19 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.71 3gqz n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gqz s TYR 45 N 0.00 2.43 0.08 1.61 4.12 -0.10 -2.06 117.35 123.43 3gqz s TYR 45 Ca 0.00 -0.36 0.06 0.00 0.02 0.00 0.00 57.07 56.79 3gqz s TYR 45 Cb 0.00 -1.53 -0.22 0.00 -1.52 0.00 0.00 41.96 38.69 3gqz s TYR 45 CO 0.00 0.03 1.13 0.00 0.02 0.00 0.00 175.55 176.73 3gqz h ALA 46 N 5.39 0.40 -3.03 3.71 0.00 -0.33 -3.16 119.26 122.24 3gqz h ALA 46 Ca -0.44 -1.02 -0.46 0.00 0.00 0.00 0.00 54.91 52.98 3gqz h ALA 46 Cb 1.13 -0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.51 3gqz h ALA 46 CO 0.48 1.28 -0.75 0.34 0.00 0.00 0.00 179.25 180.60 3gqz s ASP 47 N -6.65 2.41 0.04 0.00 -1.08 -1.14 -1.10 116.67 109.15 3gqz s ASP 47 Ca -0.01 -0.65 -0.23 0.00 -0.52 0.00 0.00 52.55 51.13 3gqz s ASP 47 Cb 0.09 -0.24 -0.16 0.00 -1.46 0.00 0.00 42.92 41.15 3gqz s ASP 47 CO 0.83 -0.36 1.49 0.40 0.52 0.00 0.00 175.17 178.05 3gqz h ILE 48 N 6.42 1.22 -1.00 4.11 2.04 -1.86 -1.01 117.51 127.43 3gqz h ILE 48 Ca -0.15 -0.68 0.02 0.00 1.00 0.00 0.00 64.86 65.05 3gqz h ILE 48 Cb 1.14 1.58 -0.05 0.00 -0.74 0.00 0.00 36.82 38.74 3gqz h ILE 48 CO 0.30 0.19 0.66 0.00 0.00 0.00 0.00 178.15 179.30 3gqz h ALA 49 N 0.75 1.30 -0.01 1.87 0.00 -1.98 -1.84 119.26 119.35 3gqz h ALA 49 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gqz h ALA 49 Cb 0.29 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3gqz h ALA 49 CO 0.00 0.61 -0.18 1.63 0.00 0.00 0.00 179.25 181.31 3gqz n LYS 50 N -4.41 1.14 -3.92 0.00 5.02 -1.22 -4.96 118.16 109.81 3gqz n LYS 50 Ca 0.13 -0.69 -0.28 0.00 -2.02 0.00 0.00 58.31 55.44 3gqz n LYS 50 Cb 0.05 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.59 3gqz n LYS 50 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3gqz n LYS 51 N -0.32 -4.57 -2.79 1.97 5.02 -0.49 -4.95 118.16 112.03 3gqz n LYS 51 Ca 0.14 0.53 -0.42 0.00 -2.02 0.00 0.00 58.31 56.54 3gqz n LYS 51 Cb 0.36 -5.16 -0.03 0.00 -0.02 0.00 0.00 35.03 30.18 3gqz n LYS 51 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3gqz s GLN 52 N -6.50 4.05 0.66 1.97 2.00 -0.58 -4.99 119.66 116.27 3gqz s GLN 52 Ca 0.38 0.89 -0.15 0.00 -2.00 0.00 0.00 55.36 54.48 3gqz s GLN 52 Cb -0.20 -3.72 -0.00 0.00 0.80 0.00 0.00 33.01 29.90 3gqz s GLN 52 CO 0.85 -0.75 1.11 -1.25 -0.50 0.00 0.00 175.29 174.76 3gqz s PRO 53 N 3.24 2.80 0.14 1.67 0.04 -1.26 0.29 135.00 141.92 3gqz s PRO 53 Ca 0.39 1.38 -0.31 0.00 0.04 0.00 0.00 61.00 62.50 3gqz s PRO 53 Cb -0.14 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.37 3gqz s PRO 53 CO 0.12 -1.25 1.42 0.08 0.04 0.00 0.00 177.00 177.42 3gqz s VAL 54 N -2.35 3.12 0.38 -0.36 1.01 -0.87 -4.20 120.40 117.11 3gqz s VAL 54 Ca 0.67 0.82 0.04 0.00 0.00 0.00 0.00 61.98 63.51 3gqz s VAL 54 Cb -0.20 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 3gqz s VAL 54 CO 0.42 0.07 0.16 0.35 0.00 0.00 0.00 175.10 176.10 3gqz n THR 55 N 3.73 0.00 0.31 3.92 -2.24 -1.26 -4.81 114.28 113.93 3gqz n THR 55 Ca 0.11 -2.25 0.15 0.00 -2.27 0.00 0.00 64.05 59.78 3gqz n THR 55 Cb 0.41 0.86 0.67 0.00 -2.10 0.00 0.00 70.33 70.17 3gqz n THR 55 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 3gqz h GLN 56 N 0.00 0.00 -0.00 -0.78 1.08 -2.01 -2.82 115.11 110.58 3gqz h GLN 56 Ca -0.29 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.91 3gqz h GLN 56 Cb 1.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 3gqz h GLN 56 CO 0.45 0.00 -0.77 1.04 -0.95 0.00 0.00 178.83 178.60 3gqz n GLN 57 N -2.59 0.02 -2.03 1.46 6.02 -1.26 -4.38 117.38 114.63 3gqz n GLN 57 Ca 0.00 -0.02 -0.42 0.00 -0.01 0.00 0.00 57.00 56.55 3gqz n GLN 57 Cb 0.19 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.92 3gqz n GLN 57 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3gqz s THR 58 N -2.99 3.21 -0.10 5.09 2.01 -1.07 -4.84 115.64 116.95 3gqz s THR 58 Ca 0.10 0.69 -0.20 0.00 0.31 0.00 0.00 61.69 62.58 3gqz s THR 58 Cb 0.17 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 3gqz s THR 58 CO 0.79 0.01 0.56 -0.76 -0.69 0.00 0.00 174.62 174.53 3gqz s LEU 59 N 2.30 4.28 0.09 4.42 1.02 0.31 -4.05 118.68 127.06 3gqz s LEU 59 Ca 0.70 0.94 0.07 0.00 0.02 0.00 0.00 54.13 55.86 3gqz s LEU 59 Cb -0.38 -2.83 -0.04 0.00 0.02 0.00 0.00 46.19 42.96 3gqz s LEU 59 CO 0.30 -0.05 -0.12 -0.36 0.02 0.00 0.00 176.35 176.15 3gqz s PHE 60 N 0.74 2.71 -0.14 0.29 0.40 0.26 -1.30 117.98 120.93 3gqz s PHE 60 Ca 0.30 -0.17 -0.29 0.00 -0.60 0.00 0.00 56.93 56.16 3gqz s PHE 60 Cb -0.16 -1.43 -0.02 0.00 0.51 0.00 0.00 43.02 41.92 3gqz s PHE 60 CO 0.13 0.40 1.21 -1.21 0.70 0.00 0.00 175.22 176.46 3gqz s GLU 61 N -2.08 4.28 0.43 0.44 2.02 -1.26 -1.48 118.70 121.04 3gqz s GLU 61 Ca 0.20 1.62 0.23 0.00 0.02 0.00 0.00 54.97 57.04 3gqz s GLU 61 Cb -0.11 -3.69 0.45 0.00 0.10 0.00 0.00 34.13 30.89 3gqz s GLU 61 CO 0.12 -0.61 1.64 -0.07 0.02 0.00 0.00 175.26 176.36 3gqz h LEU 62 N 9.20 0.00 0.00 1.80 3.38 -1.56 -3.43 115.31 124.70 3gqz h LEU 62 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3gqz h LEU 62 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3gqz h LEU 62 CO 0.94 0.09 0.00 0.61 0.09 0.00 0.00 178.44 180.17 3gqz n GLY 63 N 0.94 3.20 0.02 0.83 0.00 -1.26 -2.43 105.19 106.49 3gqz n GLY 63 Ca 0.03 -0.20 0.05 0.00 0.00 0.00 0.00 46.02 45.90 3gqz n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gqz n SER 64 N 2.88 0.07 0.30 1.61 7.64 -1.24 -1.21 113.62 123.68 3gqz n SER 64 Ca 0.00 0.53 0.17 0.00 1.01 0.00 0.00 58.87 60.57 3gqz n SER 64 Cb 0.00 -0.54 0.91 0.00 -1.01 0.00 0.00 64.21 63.58 3gqz n SER 64 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3gqz h VAL 65 N 0.00 0.33 -0.59 0.44 2.07 -1.60 -1.81 116.25 115.09 3gqz h VAL 65 Ca 0.00 -0.25 0.17 0.00 0.82 0.00 0.00 66.70 67.44 3gqz h VAL 65 Cb 0.14 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3gqz h VAL 65 CO 0.00 0.04 0.47 0.28 0.02 0.00 0.00 177.57 178.38 3gqz h SER 66 N 0.00 0.00 0.12 0.57 0.02 -1.36 -1.68 113.55 111.23 3gqz h SER 66 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3gqz h SER 66 Cb 0.18 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 3gqz h SER 66 CO 0.01 0.00 -0.06 0.11 -1.14 0.00 0.00 176.83 175.75 3gqz h LYS 67 N 0.00 0.00 -0.35 3.45 1.57 -1.48 -1.29 116.57 118.47 3gqz h LYS 67 Ca 0.28 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.95 3gqz h LYS 67 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 3gqz h LYS 67 CO -0.00 0.06 -0.25 1.79 -0.57 0.00 0.00 179.45 180.47 3gqz h THR 68 N 0.00 1.27 -0.28 -0.16 1.35 -1.50 0.08 112.91 113.68 3gqz h THR 68 Ca -0.00 -1.35 -0.04 0.00 -0.55 0.00 0.00 66.41 64.46 3gqz h THR 68 Cb 0.13 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 67.82 3gqz h THR 68 CO 0.01 0.45 0.00 -0.26 -0.25 0.00 0.00 175.52 175.47 3gqz h PHE 69 N 0.62 0.54 -0.64 4.73 0.04 -1.39 -1.79 116.94 119.05 3gqz h PHE 69 Ca 0.08 -0.09 0.02 0.00 2.80 0.00 0.00 57.97 60.78 3gqz h PHE 69 Cb 0.75 -0.14 -0.04 0.00 2.20 0.00 0.00 35.95 38.72 3gqz h PHE 69 CO 0.04 0.64 0.41 1.15 -0.60 0.00 0.00 178.31 179.95 3gqz h THR 70 N 0.28 1.13 -0.62 -1.55 2.02 -1.27 0.79 112.91 113.69 3gqz h THR 70 Ca 0.08 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 3gqz h THR 70 Cb 0.42 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 3gqz h THR 70 CO 0.01 0.15 0.37 1.23 0.37 0.00 0.00 175.52 177.66 3gqz h GLY 71 N 0.83 0.91 1.12 2.16 0.00 -0.93 -0.32 103.07 106.84 3gqz h GLY 71 Ca 0.24 -0.39 -0.16 0.00 0.00 0.00 0.00 47.33 47.02 3gqz h GLY 71 CO -0.07 0.37 -0.41 -2.08 0.00 0.00 0.00 176.54 174.35 3gqz h VAL 72 N 0.85 1.27 -0.67 4.60 2.07 -1.04 -0.66 116.25 122.66 3gqz h VAL 72 Ca 0.22 -1.58 0.01 0.00 0.82 0.00 0.00 66.70 66.17 3gqz h VAL 72 Cb -0.01 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3gqz h VAL 72 CO -0.04 0.53 0.44 0.25 0.02 0.00 0.00 177.57 178.77 3gqz h LEU 73 N 0.73 0.75 -0.47 2.57 5.85 -0.69 0.21 115.31 124.26 3gqz h LEU 73 Ca 0.05 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.77 3gqz h LEU 73 Cb 1.01 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 3gqz h LEU 73 CO 0.10 0.54 0.30 1.23 -0.34 0.00 0.00 178.44 180.27 3gqz h GLY 74 N 0.89 0.67 0.85 3.75 0.00 -0.94 -1.64 103.07 106.66 3gqz h GLY 74 Ca 0.25 -0.24 0.04 0.00 0.00 0.00 0.00 47.33 47.38 3gqz h GLY 74 CO -0.06 0.22 0.54 -1.33 0.00 0.00 0.00 176.54 175.91 3gqz h GLY 75 N 0.62 1.24 1.00 4.60 0.00 -0.66 -1.42 103.07 108.45 3gqz h GLY 75 Ca 0.18 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 3gqz h GLY 75 CO -0.05 0.34 0.38 -1.80 0.00 0.00 0.00 176.54 175.40 3gqz h ASP 76 N 1.05 0.82 -0.85 0.19 3.58 -0.69 -1.00 116.42 119.52 3gqz h ASP 76 Ca 0.34 -0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.69 3gqz h ASP 76 Cb 0.03 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 40.83 3gqz h ASP 76 CO -0.12 0.67 0.45 0.00 -2.88 0.00 0.00 179.24 177.36 3gqz h ALA 77 N 1.19 1.18 -0.29 -0.78 0.00 -0.77 0.68 119.26 120.47 3gqz h ALA 77 Ca 0.24 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3gqz h ALA 77 Cb 0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3gqz h ALA 77 CO -0.04 0.65 0.14 0.82 0.00 0.00 0.00 179.25 180.82 3gqz h ILE 78 N 1.20 1.14 -0.30 0.00 2.04 -0.92 -1.26 117.51 119.40 3gqz h ILE 78 Ca 0.30 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 3gqz h ILE 78 Cb 0.06 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3gqz h ILE 78 CO -0.04 0.14 0.05 0.00 0.00 0.00 0.00 178.15 178.30 3gqz h ALA 79 N 1.01 1.54 0.00 1.87 0.00 -0.77 -0.89 119.26 122.02 3gqz h ALA 79 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gqz h ALA 79 Cb 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3gqz h ALA 79 CO -0.01 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.58 3gqz h ARG 80 N 0.43 0.00 -0.05 0.00 3.08 -0.70 -3.47 114.38 113.67 3gqz h ARG 80 Ca 0.10 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 3gqz h ARG 80 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3gqz h ARG 80 CO -0.00 0.00 -0.02 0.41 -1.07 0.00 0.00 179.97 179.29 3gqz n GLY 81 N 0.45 0.43 0.09 0.04 0.00 -0.34 -4.95 105.19 100.90 3gqz n GLY 81 Ca 0.03 -1.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 3gqz n GLY 81 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3gqz h GLU 82 N 0.00 0.10 -4.44 1.61 5.08 -1.46 -3.48 114.58 111.99 3gqz h GLU 82 Ca -0.02 -0.18 -0.18 0.00 -1.00 0.00 0.00 59.36 57.99 3gqz h GLU 82 Cb 0.15 0.07 -0.16 0.00 0.50 0.00 0.00 28.75 29.31 3gqz h GLU 82 CO 0.02 0.92 -0.69 0.96 -1.00 0.00 0.00 179.01 179.22 3gqz s ILE 83 N -2.64 0.46 -0.01 3.13 -4.36 -1.21 -4.82 121.20 111.76 3gqz s ILE 83 Ca -0.05 -1.78 0.06 0.00 -0.26 0.00 0.00 60.65 58.63 3gqz s ILE 83 Cb 0.08 -1.48 -0.02 0.00 1.25 0.00 0.00 42.46 42.30 3gqz s ILE 83 CO 0.83 -0.88 -0.20 -0.54 0.24 0.00 0.00 174.94 174.40 3gqz s LYS 84 N -3.61 1.56 0.54 0.37 1.02 -1.26 -4.24 119.74 114.12 3gqz s LYS 84 Ca 0.07 -0.73 0.32 0.00 0.02 0.00 0.00 55.97 55.65 3gqz s LYS 84 Cb 0.05 -1.53 1.53 0.00 -0.52 0.00 0.00 37.83 37.36 3gqz s LYS 84 CO -0.06 0.42 2.07 -0.07 -0.92 0.00 0.00 175.35 176.78 3gqz h LEU 85 N 5.55 0.00 -0.23 3.17 3.38 -1.99 -2.36 115.31 122.83 3gqz h LEU 85 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3gqz h LEU 85 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 3gqz h LEU 85 CO 0.47 0.08 0.00 -1.54 0.09 0.00 0.00 178.44 177.55 3gqz n SER 86 N -3.36 0.71 -4.76 -0.43 3.41 -1.26 -1.03 113.62 106.89 3gqz n SER 86 Ca -0.01 0.60 -0.40 0.00 -0.26 0.00 0.00 58.87 58.80 3gqz n SER 86 Cb 0.25 -0.78 -0.03 0.00 -0.26 0.00 0.00 64.21 63.39 3gqz n SER 86 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3gqz s ASP 87 N -4.33 6.96 0.52 4.04 1.01 -0.89 -4.82 116.67 119.16 3gqz s ASP 87 Ca 0.09 2.43 -0.22 0.00 0.71 0.00 0.00 52.55 55.55 3gqz s ASP 87 Cb 0.12 -2.63 -0.06 0.00 1.01 0.00 0.00 42.92 41.35 3gqz s ASP 87 CO 0.52 -0.38 1.26 -2.65 0.21 0.00 0.00 175.17 174.14 3gqz n PRO 88 N 0.84 1.63 -0.32 8.23 -0.02 -1.26 -1.76 135.00 142.35 3gqz n PRO 88 Ca 0.00 0.60 0.06 0.00 -2.02 0.00 0.00 63.50 62.14 3gqz n PRO 88 Cb 0.44 -2.44 0.21 0.00 -0.02 0.00 0.00 33.50 31.69 3gqz n PRO 88 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3gqz h THR 89 N 1.48 0.85 0.00 3.45 2.02 -1.51 -2.34 112.91 116.86 3gqz h THR 89 Ca -0.49 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.41 3gqz h THR 89 Cb 1.31 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 3gqz h THR 89 CO 0.57 0.15 0.00 1.07 0.37 0.00 0.00 175.52 177.68 3gqz n THR 90 N -4.74 0.01 -0.10 3.16 5.66 -1.26 -2.52 114.28 114.49 3gqz n THR 90 Ca 0.17 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.13 3gqz n THR 90 Cb 0.36 -0.54 0.18 0.00 -1.55 0.00 0.00 70.33 68.78 3gqz n THR 90 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 3gqz h LYS 91 N 0.00 0.77 -0.00 1.09 3.64 -1.79 -3.15 116.57 117.13 3gqz h LYS 91 Ca 0.00 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3gqz h LYS 91 Cb 0.04 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3gqz h LYS 91 CO 0.00 0.76 -0.92 0.66 -2.27 0.00 0.00 179.45 177.68 3gqz n TYR 92 N -4.23 0.00 -3.42 1.91 4.02 -1.05 -4.58 117.16 109.81 3gqz n TYR 92 Ca 0.03 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.65 3gqz n TYR 92 Cb 0.28 -0.02 -0.10 0.00 -0.02 0.00 0.00 39.34 39.48 3gqz n TYR 92 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 3gqz n TRP 93 N -1.40 -0.51 -0.02 -0.72 -0.00 -1.15 -5.00 117.44 108.64 3gqz n TRP 93 Ca 0.05 -3.41 0.17 0.00 -0.00 0.00 0.00 57.50 54.30 3gqz n TRP 93 Cb 0.34 0.14 0.63 0.00 -0.00 0.00 0.00 31.31 32.42 3gqz n TRP 93 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 3gqz h PRO 94 N 5.49 0.13 0.00 5.87 0.11 -1.79 -0.72 132.00 141.09 3gqz h PRO 94 Ca 0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.35 3gqz h PRO 94 Cb 0.89 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3gqz h PRO 94 CO 0.41 0.09 0.00 0.39 -0.21 0.00 0.00 178.00 178.68 3gqz n GLU 95 N -4.42 0.20 -2.23 1.05 1.02 -1.26 -4.28 120.64 110.71 3gqz n GLU 95 Ca 0.10 0.38 -0.43 0.00 -0.02 0.00 0.00 57.16 57.19 3gqz n GLU 95 Cb 0.52 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 3gqz n GLU 95 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3gqz n LEU 96 N -2.22 6.05 -0.28 -4.62 7.94 -0.28 -4.71 117.00 118.88 3gqz n LEU 96 Ca 0.03 -4.20 0.11 0.00 -1.11 0.00 0.00 56.01 50.84 3gqz n LEU 96 Cb 0.26 -1.65 0.06 0.00 0.53 0.00 0.00 43.42 42.62 3gqz n LEU 96 CO 0.21 0.82 0.30 0.35 -1.11 0.00 0.00 177.39 177.96 3gqz n THR 97 N 5.14 0.00 -1.71 1.96 -2.24 -1.26 -4.72 114.28 111.46 3gqz n THR 97 Ca 0.47 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.68 3gqz n THR 97 Cb 0.41 0.94 -0.01 0.00 -2.10 0.00 0.00 70.33 69.57 3gqz n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gqz n ALA 98 N -0.63 1.43 -0.21 6.98 0.00 -1.26 -4.89 120.51 121.92 3gqz n ALA 98 Ca 0.08 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3gqz n ALA 98 Cb 0.40 -2.28 0.12 0.00 0.00 0.00 0.00 19.45 17.69 3gqz n ALA 98 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3gqz h LYS 99 N 2.73 0.45 0.00 0.00 2.10 -1.94 -2.58 116.57 117.34 3gqz h LYS 99 Ca -0.47 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 3gqz h LYS 99 Cb 1.28 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 3gqz h LYS 99 CO 0.64 0.30 0.18 -0.56 -2.00 0.00 0.00 179.45 178.00 3gqz h GLN 100 N 0.47 0.00 -0.01 0.07 -0.00 -1.93 0.31 115.11 114.02 3gqz h GLN 100 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.97 3gqz h GLN 100 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.85 3gqz h GLN 100 CO -0.29 0.00 -0.04 0.91 -0.00 0.00 0.00 178.83 179.41 3gqz n TRP 101 N -2.53 0.00 -2.23 0.06 7.02 -0.97 -4.75 117.44 114.04 3gqz n TRP 101 Ca -0.02 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.03 3gqz n TRP 101 Cb 0.22 -0.06 -0.02 0.00 -2.42 0.00 0.00 31.31 29.02 3gqz n TRP 101 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 3gqz s ASN 102 N -2.17 6.46 0.00 -0.99 2.47 0.11 -2.74 114.94 118.08 3gqz s ASN 102 Ca 0.38 1.42 0.00 0.00 0.42 0.00 0.00 52.86 55.08 3gqz s ASN 102 Cb 0.21 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.47 3gqz s ASN 102 CO 0.40 -1.22 0.00 0.61 -3.72 0.00 0.00 177.10 173.17 3gqz n GLY 103 N 4.58 0.50 3.53 1.21 0.00 -1.26 -5.05 105.19 108.70 3gqz n GLY 103 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3gqz n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gqz s ILE 104 N -2.00 5.28 0.44 -0.61 1.01 -1.11 -4.85 121.20 119.35 3gqz s ILE 104 Ca 0.00 -0.20 0.08 0.00 0.00 0.00 0.00 60.65 60.53 3gqz s ILE 104 Cb 0.00 -3.73 -0.00 0.00 0.01 0.00 0.00 42.46 38.74 3gqz s ILE 104 CO 0.00 -0.02 0.45 0.42 0.00 0.00 0.00 174.94 175.79 3gqz s THR 105 N 1.75 2.63 0.38 2.92 -4.23 -1.26 -1.38 115.64 116.45 3gqz s THR 105 Ca 0.07 -1.25 0.05 0.00 -1.18 0.00 0.00 61.69 59.37 3gqz s THR 105 Cb -0.17 -2.88 0.27 0.00 1.34 0.00 0.00 72.50 71.05 3gqz s THR 105 CO 0.11 0.00 2.03 -0.07 -0.54 0.00 0.00 174.62 176.14 3gqz h LEU 106 N 0.87 0.61 -0.40 4.79 3.38 -1.28 -1.80 115.31 121.47 3gqz h LEU 106 Ca -0.40 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 57.63 3gqz h LEU 106 Cb 1.27 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 3gqz h LEU 106 CO 0.53 0.43 0.03 0.25 0.09 0.00 0.00 178.44 179.77 3gqz h LEU 107 N 0.71 -0.11 -0.49 1.67 5.85 -1.37 -0.29 115.31 121.28 3gqz h LEU 107 Ca 0.21 0.09 0.02 0.00 0.84 0.00 0.00 57.88 59.03 3gqz h LEU 107 Cb -0.03 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3gqz h LEU 107 CO -0.05 -0.02 0.30 0.45 -0.34 0.00 0.00 178.44 178.78 3gqz h HIS 108 N 0.14 0.56 -0.37 1.25 3.86 -1.62 -1.84 115.15 117.13 3gqz h HIS 108 Ca 0.20 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.42 3gqz h HIS 108 Cb 0.27 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 3gqz h HIS 108 CO -0.25 0.33 0.22 -0.07 0.86 0.00 0.00 177.93 179.02 3gqz h LEU 109 N 0.60 0.44 -1.68 2.43 3.38 -1.16 -0.04 115.31 119.28 3gqz h LEU 109 Ca 0.19 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3gqz h LEU 109 Cb -0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3gqz h LEU 109 CO -0.08 0.37 -0.19 0.00 0.09 0.00 0.00 178.44 178.64 3gqz h ALA 110 N 1.09 1.34 -0.09 1.53 0.00 -0.67 -2.71 119.26 119.74 3gqz h ALA 110 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gqz h ALA 110 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3gqz h ALA 110 CO -0.02 0.23 0.00 0.25 0.00 0.00 0.00 179.25 179.71 3gqz n THR 111 N -3.81 1.41 -2.07 0.00 -2.24 -0.73 -4.45 114.28 102.39 3gqz n THR 111 Ca -0.02 -1.47 -0.15 0.00 -2.27 0.00 0.00 64.05 60.15 3gqz n THR 111 Cb 0.29 0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 3gqz n THR 111 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3gqz n TYR 112 N -0.60 -0.53 -1.05 4.78 4.01 -0.86 -4.82 117.16 118.10 3gqz n TYR 112 Ca 0.09 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.92 3gqz n TYR 112 Cb 0.47 -2.99 0.21 0.00 -0.31 0.00 0.00 39.34 36.72 3gqz n TYR 112 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3gqz n THR 113 N -3.66 2.13 0.30 -0.72 -2.24 -0.09 -1.35 114.28 108.66 3gqz n THR 113 Ca -0.17 -2.08 0.17 0.00 -2.27 0.00 0.00 64.05 59.70 3gqz n THR 113 Cb 0.60 -0.25 0.73 0.00 -2.10 0.00 0.00 70.33 69.30 3gqz n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gqz h ALA 114 N 1.03 1.00 0.00 6.98 0.00 -1.79 0.72 119.26 127.20 3gqz h ALA 114 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gqz h ALA 114 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3gqz h ALA 114 CO 0.13 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.79 3gqz n GLY 115 N -0.14 1.49 0.00 0.00 0.00 -1.26 -4.22 105.19 101.05 3gqz n GLY 115 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3gqz n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqz n GLY 116 N -0.11 1.56 3.78 -0.02 0.00 -1.26 -0.24 105.19 108.90 3gqz n GLY 116 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3gqz n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gqz s LEU 117 N 0.00 4.33 0.55 0.99 1.43 -1.26 -4.69 118.68 120.03 3gqz s LEU 117 Ca 0.00 3.01 -0.18 0.00 -1.03 0.00 0.00 54.13 55.93 3gqz s LEU 117 Cb 0.00 -3.66 -0.05 0.00 0.03 0.00 0.00 46.19 42.50 3gqz s LEU 117 CO 0.00 -0.85 1.06 -2.16 0.23 0.00 0.00 176.35 174.63 3gqz s PRO 118 N -1.92 3.47 0.26 1.29 0.04 -1.26 -4.73 135.00 132.15 3gqz s PRO 118 Ca 0.53 1.32 -0.04 0.00 0.04 0.00 0.00 61.00 62.86 3gqz s PRO 118 Cb -0.46 -2.05 0.53 0.00 0.04 0.00 0.00 34.50 32.56 3gqz s PRO 118 CO 0.61 -0.70 1.66 1.25 0.04 0.00 0.00 177.00 179.86 3gqz h LEU 119 N 0.92 -0.10 -8.62 -3.56 5.85 -1.92 -3.25 115.31 104.62 3gqz h LEU 119 Ca -0.48 0.18 -0.67 0.00 0.84 0.00 0.00 57.88 57.74 3gqz h LEU 119 Cb 1.23 0.26 -0.28 0.00 0.37 0.00 0.00 40.66 42.24 3gqz h LEU 119 CO 0.58 -0.12 -0.88 -1.10 -0.34 0.00 0.00 178.44 176.59 3gqz s GLN 120 N -6.03 1.87 0.19 1.25 -0.21 -1.26 -0.62 119.66 114.84 3gqz s GLN 120 Ca -0.13 -0.96 -0.30 0.00 0.02 0.00 0.00 55.36 53.99 3gqz s GLN 120 Cb 0.23 -1.90 -0.09 0.00 1.00 0.00 0.00 33.01 32.25 3gqz s GLN 120 CO 0.76 0.51 1.32 0.08 -2.12 0.00 0.00 175.29 175.84 3gqz s VAL 121 N -0.67 3.23 0.40 1.09 1.01 -1.26 -4.84 120.40 119.35 3gqz s VAL 121 Ca 0.10 0.99 -0.25 0.00 0.00 0.00 0.00 61.98 62.83 3gqz s VAL 121 Cb -0.10 -3.63 -0.11 0.00 0.00 0.00 0.00 36.38 32.54 3gqz s VAL 121 CO 0.00 0.14 0.95 -2.65 0.00 0.00 0.00 175.10 173.54 3gqz n PRO 122 N 2.79 1.24 -0.34 2.72 -0.02 -1.26 -4.85 135.00 135.27 3gqz n PRO 122 Ca 0.07 0.44 0.15 0.00 -2.02 0.00 0.00 63.50 62.14 3gqz n PRO 122 Cb 0.43 -1.93 0.35 0.00 -0.02 0.00 0.00 33.50 32.33 3gqz n PRO 122 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3gqz h ASP 123 N 1.51 0.68 1.02 2.55 3.32 -2.03 -2.23 116.42 121.24 3gqz h ASP 123 Ca -0.43 0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3gqz h ASP 123 Cb 1.35 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.91 3gqz h ASP 123 CO 0.57 0.16 -0.03 -0.62 -1.72 0.00 0.00 179.24 177.59 3gqz n GLU 124 N -4.86 0.03 -2.47 3.56 4.71 -1.26 -4.77 120.64 115.57 3gqz n GLU 124 Ca 0.25 0.02 -0.43 0.00 -0.01 0.00 0.00 57.16 57.00 3gqz n GLU 124 Cb 0.67 -1.53 -0.02 0.00 -1.01 0.00 0.00 31.44 29.55 3gqz n GLU 124 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3gqz s VAL 125 N -3.01 4.33 0.07 2.62 1.01 -0.84 -4.86 120.40 119.72 3gqz s VAL 125 Ca 0.13 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.75 3gqz s VAL 125 Cb 0.18 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.51 3gqz s VAL 125 CO 0.55 -0.07 0.00 0.29 0.00 0.00 0.00 175.10 175.87 3gqz n LYS 126 N 5.86 0.00 -2.39 2.72 5.02 -1.26 -3.80 118.16 124.31 3gqz n LYS 126 Ca 0.12 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.17 3gqz n LYS 126 Cb 0.46 -0.26 0.05 0.00 -0.02 0.00 0.00 35.03 35.26 3gqz n LYS 126 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3gqz s SER 127 N -5.19 5.12 0.26 4.39 1.04 -1.26 -4.71 113.70 113.36 3gqz s SER 127 Ca 0.00 0.37 -0.03 0.00 0.48 0.00 0.00 55.95 56.77 3gqz s SER 127 Cb 0.00 -1.17 0.37 0.00 0.10 0.00 0.00 66.02 65.31 3gqz s SER 127 CO 0.00 -1.34 1.90 0.28 0.98 0.00 0.00 173.24 175.06 3gqz h SER 128 N -0.30 1.07 -0.48 7.02 0.02 -2.00 -0.94 113.55 117.95 3gqz h SER 128 Ca -0.44 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.45 3gqz h SER 128 Cb 1.30 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.58 3gqz h SER 128 CO 0.58 0.72 0.09 0.28 -1.14 0.00 0.00 176.83 177.36 3gqz h SER 129 N 1.24 0.75 -0.67 3.07 0.02 -1.99 -1.10 113.55 114.86 3gqz h SER 129 Ca 0.41 -0.25 0.04 0.00 -0.84 0.00 0.00 61.79 61.15 3gqz h SER 129 Cb 0.05 -0.20 -0.05 0.00 0.14 0.00 0.00 62.40 62.34 3gqz h SER 129 CO -0.14 0.81 0.40 0.44 -1.14 0.00 0.00 176.83 177.20 3gqz h ASP 130 N 0.66 0.62 -0.41 3.07 3.32 -1.85 -2.12 116.42 119.70 3gqz h ASP 130 Ca 0.15 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 3gqz h ASP 130 Cb 0.37 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3gqz h ASP 130 CO 0.01 0.42 0.05 -0.07 -1.72 0.00 0.00 179.24 177.93 3gqz h LEU 131 N 0.76 0.67 -0.51 1.55 3.38 -0.94 -1.36 115.31 118.85 3gqz h LEU 131 Ca 0.28 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 58.03 3gqz h LEU 131 Cb 0.10 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3gqz h LEU 131 CO -0.14 0.77 0.26 0.25 0.09 0.00 0.00 178.44 179.67 3gqz h LEU 132 N 0.54 0.37 -0.56 1.67 5.85 -1.04 -1.44 115.31 120.69 3gqz h LEU 132 Ca 0.12 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3gqz h LEU 132 Cb 0.40 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3gqz h LEU 132 CO 0.01 0.25 0.31 0.03 -0.34 0.00 0.00 178.44 178.70 3gqz h ARG 133 N 0.50 0.78 0.18 1.25 3.08 -1.19 0.09 114.38 119.07 3gqz h ARG 133 Ca 0.22 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.19 3gqz h ARG 133 Cb 0.14 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 3gqz h ARG 133 CO -0.16 0.60 -0.19 0.35 -1.07 0.00 0.00 179.97 179.50 3gqz h PHE 134 N 0.76 -0.51 -0.21 3.04 3.57 -0.76 -1.44 116.94 121.38 3gqz h PHE 134 Ca 0.20 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.58 3gqz h PHE 134 Cb 0.04 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 3gqz h PHE 134 CO -0.01 -0.29 -0.40 1.88 -2.23 0.00 0.00 178.31 177.25 3gqz h TYR 135 N -0.41 0.59 -0.37 0.41 0.05 -1.16 -1.68 116.97 114.41 3gqz h TYR 135 Ca 0.01 -0.17 -0.04 0.00 0.05 0.00 0.00 58.73 58.58 3gqz h TYR 135 Cb 0.39 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 3gqz h TYR 135 CO -0.16 0.82 0.06 1.96 -1.05 0.00 0.00 178.16 179.79 3gqz h GLN 136 N 0.41 0.55 0.00 4.88 1.08 -0.88 -3.10 115.11 118.06 3gqz h GLN 136 Ca 0.04 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 3gqz h GLN 136 Cb 0.88 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.22 3gqz h GLN 136 CO 0.08 0.53 -0.70 -0.91 -0.95 0.00 0.00 178.83 176.88 3gqz h ASN 137 N 0.53 0.00 -3.16 1.46 -0.26 -1.02 -3.47 115.58 109.66 3gqz h ASN 137 Ca 0.12 -0.07 -0.53 0.00 -0.56 0.00 0.00 56.30 55.26 3gqz h ASN 137 Cb 0.26 0.00 0.05 0.00 -1.06 0.00 0.00 38.32 37.57 3gqz h ASN 137 CO 0.00 0.04 0.79 0.86 -1.06 0.00 0.00 177.43 178.06 3gqz s TRP 138 N -3.27 3.07 -0.16 1.19 -0.00 -0.65 -5.02 118.94 114.09 3gqz s TRP 138 Ca 0.03 0.90 0.01 0.00 -0.00 0.00 0.00 56.10 57.04 3gqz s TRP 138 Cb 0.10 -3.83 0.01 0.00 -0.00 0.00 0.00 33.47 29.75 3gqz s TRP 138 CO 0.74 -2.84 -0.17 -0.65 -0.00 0.00 0.00 176.95 174.03 3gqz s GLN 139 N 0.27 3.13 0.45 5.86 -1.52 -1.26 -4.97 119.66 121.63 3gqz s GLN 139 Ca 0.63 -0.78 -0.25 0.00 -1.95 0.00 0.00 55.36 53.01 3gqz s GLN 139 Cb -0.42 -2.60 -0.08 0.00 -0.22 0.00 0.00 33.01 29.70 3gqz s GLN 139 CO 0.38 -0.07 1.35 -1.25 -0.25 0.00 0.00 175.29 175.45 3gqz s PRO 140 N 0.99 3.68 0.19 2.91 0.04 -1.26 -4.95 135.00 136.59 3gqz s PRO 140 Ca -0.02 2.24 0.11 0.00 0.04 0.00 0.00 61.00 63.37 3gqz s PRO 140 Cb -0.15 -2.59 -0.09 0.00 0.04 0.00 0.00 34.50 31.71 3gqz s PRO 140 CO -0.04 -0.76 1.34 0.00 0.04 0.00 0.00 177.00 177.57 3gqz h ALA 141 N 2.25 0.50 -2.28 8.56 0.00 -0.89 -3.48 119.26 123.92 3gqz h ALA 141 Ca -0.50 -0.72 -0.13 0.00 0.00 0.00 0.00 54.91 53.55 3gqz h ALA 141 Cb 1.26 -0.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.79 3gqz h ALA 141 CO 0.61 0.98 -0.67 -1.58 0.00 0.00 0.00 179.25 178.59 3gqz s TRP 142 N -2.82 0.58 0.69 0.00 0.51 -0.98 -5.04 118.94 111.88 3gqz s TRP 142 Ca 0.02 -1.09 -0.16 0.00 -2.12 0.00 0.00 56.10 52.75 3gqz s TRP 142 Cb 0.09 -0.40 0.02 0.00 -0.81 0.00 0.00 33.47 32.36 3gqz s TRP 142 CO 0.79 -0.41 1.24 0.00 -0.51 0.00 0.00 176.95 178.06 3gqz s ALA 143 N -3.94 2.24 0.49 0.98 0.00 -1.26 -4.40 121.76 115.86 3gqz s ALA 143 Ca 0.10 1.02 -0.23 0.00 0.00 0.00 0.00 51.96 52.86 3gqz s ALA 143 Cb 0.08 -3.50 -0.07 0.00 0.00 0.00 0.00 23.12 19.63 3gqz s ALA 143 CO -0.08 -1.73 1.25 -2.14 0.00 0.00 0.00 175.76 173.06 3gqz s PRO 144 N -3.66 3.55 -0.82 0.00 0.02 -1.26 -3.42 135.00 129.41 3gqz s PRO 144 Ca 0.78 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.78 3gqz s PRO 144 Cb -0.32 -2.39 0.00 0.00 0.02 0.00 0.00 34.50 31.81 3gqz s PRO 144 CO 0.42 -0.78 0.00 0.41 -0.33 0.00 0.00 177.00 176.72 3gqz n GLY 145 N 0.57 0.33 0.00 0.52 0.00 0.25 -4.90 105.19 101.96 3gqz n GLY 145 Ca 0.08 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3gqz n GLY 145 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gqz n THR 146 N -3.62 0.00 -4.37 2.61 -2.24 -1.22 -4.86 114.28 100.59 3gqz n THR 146 Ca -0.10 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.47 3gqz n THR 146 Cb 0.49 -0.81 -0.16 0.00 -2.10 0.00 0.00 70.33 67.76 3gqz n THR 146 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3gqz s GLN 147 N -1.96 1.03 -0.24 -0.78 -1.52 -1.26 -1.84 119.66 113.07 3gqz s GLN 147 Ca 0.00 -0.28 -0.16 0.00 -1.95 0.00 0.00 55.36 52.97 3gqz s GLN 147 Cb 0.00 -0.95 -0.04 0.00 -0.22 0.00 0.00 33.01 31.81 3gqz s GLN 147 CO 0.00 0.06 0.42 0.50 -0.25 0.00 0.00 175.29 176.02 3gqz s ARG 148 N 0.40 4.08 -0.26 2.91 3.52 0.49 -4.24 118.95 125.84 3gqz s ARG 148 Ca -0.06 0.16 -0.01 0.00 -0.13 0.00 0.00 55.73 55.69 3gqz s ARG 148 Cb -0.11 -3.61 0.08 0.00 -1.56 0.00 0.00 34.95 29.75 3gqz s ARG 148 CO 0.01 -0.21 0.05 -1.17 -0.81 0.00 0.00 175.30 173.17 3gqz s LEU 149 N 1.87 2.00 0.01 -0.88 2.96 -0.46 -1.40 118.68 122.78 3gqz s LEU 149 Ca 0.18 -1.32 -0.37 0.00 -0.22 0.00 0.00 54.13 52.40 3gqz s LEU 149 Cb -0.15 -0.84 -0.16 0.00 0.50 0.00 0.00 46.19 45.54 3gqz s LEU 149 CO 0.09 -0.35 1.48 0.00 -1.32 0.00 0.00 176.35 176.25 3gqz n TYR 150 N 4.88 1.75 -3.66 5.38 4.19 -1.26 -4.78 117.16 123.66 3gqz n TYR 150 Ca -0.06 0.54 -0.06 0.00 3.31 0.00 0.00 57.90 61.63 3gqz n TYR 150 Cb 0.44 -2.40 -0.07 0.00 0.49 0.00 0.00 39.34 37.80 3gqz n TYR 150 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3gqz s ALA 151 N 1.36 -1.62 0.28 2.98 0.00 -1.26 -4.31 121.76 119.18 3gqz s ALA 151 Ca 0.87 2.06 -0.03 0.00 0.00 0.00 0.00 51.96 54.87 3gqz s ALA 151 Cb -0.94 -1.39 0.39 0.00 0.00 0.00 0.00 23.12 21.18 3gqz s ALA 151 CO 0.50 -0.56 1.90 -0.91 0.00 0.00 0.00 175.76 176.69 3gqz h ASN 152 N 7.47 0.91 0.61 0.00 2.35 -1.01 -2.84 115.58 123.08 3gqz h ASN 152 Ca -0.26 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 3gqz h ASN 152 Cb 1.17 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.30 3gqz h ASN 152 CO 0.17 0.75 0.00 0.77 -1.65 0.00 0.00 177.43 177.47 3gqz h SER 153 N 1.02 0.00 0.00 5.81 4.64 -1.67 0.11 113.55 123.46 3gqz h SER 153 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3gqz h SER 153 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3gqz h SER 153 CO -0.04 0.00 -0.11 -1.28 -0.87 0.00 0.00 176.83 174.54 3gqz h SER 154 N 0.00 0.00 0.31 4.97 0.87 -1.76 -3.27 113.55 114.67 3gqz h SER 154 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 3gqz h SER 154 Cb 0.31 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 3gqz h SER 154 CO 0.00 0.20 -0.27 -0.29 -0.53 0.00 0.00 176.83 175.94 3gqz h ILE 155 N -0.29 1.12 -0.45 2.23 2.10 -1.40 -1.69 117.51 119.13 3gqz h ILE 155 Ca 0.00 -0.95 0.02 0.00 1.08 0.00 0.00 64.86 65.01 3gqz h ILE 155 Cb 0.11 1.52 -0.03 0.00 -1.09 0.00 0.00 36.82 37.33 3gqz h ILE 155 CO 0.00 0.26 0.26 1.23 -1.08 0.00 0.00 178.15 178.83 3gqz h GLY 156 N 0.89 0.63 1.06 8.18 0.00 -1.17 -0.57 103.07 112.09 3gqz h GLY 156 Ca -0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 47.33 47.03 3gqz h GLY 156 CO 0.04 0.17 -0.03 -2.00 0.00 0.00 0.00 176.54 174.72 3gqz h LEU 157 N 0.53 0.99 -0.40 3.11 5.85 -1.50 -2.45 115.31 121.44 3gqz h LEU 157 Ca 0.18 -0.32 0.08 0.00 0.84 0.00 0.00 57.88 58.66 3gqz h LEU 157 Cb 0.01 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 40.70 3gqz h LEU 157 CO -0.08 1.07 -0.08 0.15 -0.34 0.00 0.00 178.44 179.15 3gqz h PHE 158 N 0.88 -0.17 -0.50 1.25 3.57 -0.87 -1.31 116.94 119.78 3gqz h PHE 158 Ca 0.15 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.70 3gqz h PHE 158 Cb 0.58 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.43 3gqz h PHE 158 CO 0.04 -0.15 0.33 0.78 -2.23 0.00 0.00 178.31 177.08 3gqz h GLY 159 N 0.02 0.71 1.03 2.40 0.00 -0.96 0.70 103.07 106.96 3gqz h GLY 159 Ca 0.19 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 3gqz h GLY 159 CO -0.39 0.25 0.43 0.00 0.00 0.00 0.00 176.54 176.82 3gqz h ALA 160 N 1.19 1.07 0.07 3.60 0.00 -1.07 -3.08 119.26 121.04 3gqz h ALA 160 Ca 0.19 -0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.71 3gqz h ALA 160 Cb -0.06 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.39 3gqz h ALA 160 CO -0.05 0.61 -1.10 -0.07 0.00 0.00 0.00 179.25 178.64 3gqz h LEU 161 N 1.17 0.34 -1.99 0.00 3.38 -0.96 -3.32 115.31 113.92 3gqz h LEU 161 Ca 0.29 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3gqz h LEU 161 Cb 0.08 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3gqz h LEU 161 CO -0.04 1.22 0.03 0.00 0.09 0.00 0.00 178.44 179.73 3gqz h ALA 162 N 0.74 2.02 -0.00 1.53 0.00 -0.77 -2.28 119.26 120.49 3gqz h ALA 162 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3gqz h ALA 162 Cb 1.81 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.60 3gqz h ALA 162 CO 0.17 -0.03 -0.41 1.33 0.00 0.00 0.00 179.25 180.31 3gqz n VAL 163 N -4.53 0.00 -0.12 0.00 0.24 -1.22 -4.47 118.33 108.23 3gqz n VAL 163 Ca -0.02 -0.05 -0.08 0.00 -2.04 0.00 0.00 64.34 62.15 3gqz n VAL 163 Cb 0.12 0.33 -0.00 0.00 -1.47 0.00 0.00 33.84 32.82 3gqz n VAL 163 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 3gqz h LYS 164 N 0.49 0.49 -0.20 7.34 1.57 -1.53 -2.24 116.57 122.49 3gqz h LYS 164 Ca 0.00 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3gqz h LYS 164 Cb 0.50 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3gqz h LYS 164 CO 0.00 0.33 0.14 -1.35 -0.57 0.00 0.00 179.45 178.00 3gqz h PRO 165 N 0.51 0.10 0.00 3.15 0.11 -1.78 -2.49 132.00 131.59 3gqz h PRO 165 Ca 0.14 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.18 3gqz h PRO 165 Cb -0.05 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 3gqz h PRO 165 CO -0.04 0.07 -0.32 0.66 -0.21 0.00 0.00 178.00 178.17 3gqz h SER 166 N 0.11 0.00 0.00 -2.05 4.64 -1.69 -3.47 113.55 111.10 3gqz h SER 166 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3gqz h SER 166 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3gqz h SER 166 CO -0.01 0.32 0.00 0.61 -0.87 0.00 0.00 176.83 176.88 3gqz n GLY 167 N -0.57 1.55 3.86 -0.77 0.00 -0.94 -5.04 105.19 103.27 3gqz n GLY 167 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3gqz n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gqz s LEU 168 N 0.00 3.97 0.73 0.99 1.43 -1.25 -5.06 118.68 119.49 3gqz s LEU 168 Ca 0.00 1.18 -0.13 0.00 -1.03 0.00 0.00 54.13 54.15 3gqz s LEU 168 Cb 0.00 -4.01 0.04 0.00 0.03 0.00 0.00 46.19 42.24 3gqz s LEU 168 CO 0.00 -0.28 1.11 -0.94 0.23 0.00 0.00 176.35 176.47 3gqz s SER 169 N -2.69 4.63 0.15 2.29 1.04 -1.26 -4.66 113.70 113.19 3gqz s SER 169 Ca 0.52 1.96 -0.18 0.00 0.48 0.00 0.00 55.95 58.73 3gqz s SER 169 Cb -0.10 -2.54 0.03 0.00 0.10 0.00 0.00 66.02 63.50 3gqz s SER 169 CO 0.24 -1.96 1.70 0.15 0.98 0.00 0.00 173.24 174.35 3gqz h PHE 170 N -0.63 -0.10 -0.09 5.02 3.57 -1.93 -0.02 116.94 122.77 3gqz h PHE 170 Ca -0.45 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.11 3gqz h PHE 170 Cb 1.24 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 40.03 3gqz h PHE 170 CO 0.55 -0.10 -0.21 1.49 -2.23 0.00 0.00 178.31 177.82 3gqz h GLU 171 N 0.03 -0.27 -0.51 1.11 4.81 -1.99 -0.01 114.58 117.76 3gqz h GLU 171 Ca 0.14 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.32 3gqz h GLU 171 Cb 0.20 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 3gqz h GLU 171 CO -0.27 -0.18 0.05 0.37 -0.73 0.00 0.00 179.01 178.24 3gqz h GLN 172 N -0.28 0.81 -0.37 1.92 4.15 -1.87 0.51 115.11 119.98 3gqz h GLN 172 Ca 0.09 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.30 3gqz h GLN 172 Cb 0.41 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 3gqz h GLN 172 CO -0.25 0.78 0.20 0.00 -1.93 0.00 0.00 178.83 177.63 3gqz h ALA 173 N 1.29 0.47 -0.40 3.38 0.00 -0.67 -0.71 119.26 122.63 3gqz h ALA 173 Ca 0.16 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3gqz h ALA 173 Cb 0.39 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3gqz h ALA 173 CO 0.01 0.01 0.12 1.98 0.00 0.00 0.00 179.25 181.37 3gqz h MET 174 N 0.47 0.62 -0.27 0.00 1.85 -0.54 -0.76 114.93 116.29 3gqz h MET 174 Ca 0.13 -0.14 -0.02 0.00 -0.61 0.00 0.00 59.70 59.06 3gqz h MET 174 Cb 0.07 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 32.00 3gqz h MET 174 CO -0.02 0.63 0.07 0.37 -0.40 0.00 0.00 176.91 177.56 3gqz h GLN 175 N 0.49 0.43 0.00 0.39 4.15 -0.83 -1.17 115.11 118.58 3gqz h GLN 175 Ca 0.13 -0.10 -0.16 0.00 0.77 0.00 0.00 58.65 59.29 3gqz h GLN 175 Cb 0.27 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 3gqz h GLN 175 CO -0.00 0.51 -0.93 1.79 -1.93 0.00 0.00 178.83 178.27 3gqz h THR 176 N 0.28 0.95 0.00 2.39 1.35 -1.09 -0.72 112.91 116.07 3gqz h THR 176 Ca 0.09 -2.45 -0.03 0.00 -0.55 0.00 0.00 66.41 63.46 3gqz h THR 176 Cb 0.27 2.41 -0.01 0.00 -1.73 0.00 0.00 68.15 69.09 3gqz h THR 176 CO -0.00 0.54 -1.82 0.54 -0.25 0.00 0.00 175.52 174.53 3gqz n ARG 177 N -3.15 0.62 0.05 4.72 1.74 -0.30 -4.49 116.66 115.85 3gqz n ARG 177 Ca -0.03 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 3gqz n ARG 177 Cb 0.83 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 3gqz n ARG 177 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3gqz n VAL 178 N -2.16 1.05 0.22 1.55 0.31 -0.66 -4.72 118.33 113.93 3gqz n VAL 178 Ca -0.06 0.35 -0.15 0.00 -0.01 0.00 0.00 64.34 64.47 3gqz n VAL 178 Cb 0.52 -1.48 -0.08 0.00 -0.91 0.00 0.00 33.84 31.88 3gqz n VAL 178 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3gqz h PHE 179 N 0.00 -0.47 0.23 3.52 0.04 -1.28 -3.00 116.94 115.98 3gqz h PHE 179 Ca 0.00 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 3gqz h PHE 179 Cb 0.00 0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.31 3gqz h PHE 179 CO 0.00 -0.28 -0.11 1.96 -0.60 0.00 0.00 178.31 179.28 3gqz h GLN 180 N -0.52 -0.29 -0.35 1.51 4.20 -1.37 -0.32 115.11 117.97 3gqz h GLN 180 Ca -0.05 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.76 3gqz h GLN 180 Cb 0.40 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 3gqz h GLN 180 CO 0.08 -0.16 0.24 -1.35 -0.67 0.00 0.00 178.83 176.97 3gqz h PRO 181 N -0.35 0.11 -0.20 1.46 0.11 -1.79 -1.28 132.00 130.07 3gqz h PRO 181 Ca -0.03 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3gqz h PRO 181 Cb 0.27 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.35 3gqz h PRO 181 CO 0.05 0.07 0.00 1.28 -0.21 0.00 0.00 178.00 179.19 3gqz n LEU 182 N -4.46 1.99 -3.55 2.35 4.77 -1.11 -4.94 117.00 112.06 3gqz n LEU 182 Ca 0.05 -0.83 -0.25 0.00 -0.03 0.00 0.00 56.01 54.95 3gqz n LEU 182 Cb 0.34 -0.13 0.06 0.00 -2.33 0.00 0.00 43.42 41.37 3gqz n LEU 182 CO 0.35 0.42 0.16 0.29 -1.33 0.00 0.00 177.39 177.28 3gqz n LYS 183 N 0.54 -6.67 -2.70 3.23 5.02 -0.48 -4.91 118.16 112.19 3gqz n LYS 183 Ca 0.17 0.78 -0.43 0.00 -2.02 0.00 0.00 58.31 56.80 3gqz n LYS 183 Cb 0.38 -5.75 0.00 0.00 -0.02 0.00 0.00 35.03 29.64 3gqz n LYS 183 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3gqz n LEU 184 N -4.70 5.54 -0.22 -0.35 4.77 -0.18 -4.81 117.00 117.05 3gqz n LEU 184 Ca -0.01 -4.39 0.15 0.00 -0.03 0.00 0.00 56.01 51.73 3gqz n LEU 184 Cb 0.56 -1.62 0.68 0.00 -2.33 0.00 0.00 43.42 40.72 3gqz n LEU 184 CO 0.63 0.78 0.94 0.59 -1.33 0.00 0.00 177.39 179.00 3gqz n ASN 185 N 5.78 0.72 -2.29 -1.43 3.02 -1.26 -3.42 115.26 116.38 3gqz n ASN 185 Ca 0.40 -1.07 -0.09 0.00 -0.03 0.00 0.00 54.58 53.79 3gqz n ASN 185 Cb 0.42 -0.01 0.05 0.00 -0.61 0.00 0.00 39.78 39.62 3gqz n ASN 185 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3gqz n HIS 186 N -0.54 1.68 -5.02 3.10 8.25 -1.26 -5.04 115.22 116.39 3gqz n HIS 186 Ca 0.19 -2.02 -0.30 0.00 -0.26 0.00 0.00 57.72 55.34 3gqz n HIS 186 Cb 0.25 -0.27 -0.17 0.00 1.12 0.00 0.00 29.99 30.93 3gqz n HIS 186 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3gqz s THR 187 N -3.81 1.78 -0.02 1.59 2.01 -1.22 -3.72 115.64 112.24 3gqz s THR 187 Ca 0.38 -0.85 -0.05 0.00 0.31 0.00 0.00 61.69 61.48 3gqz s THR 187 Cb 0.36 -1.55 0.00 0.00 0.01 0.00 0.00 72.50 71.32 3gqz s THR 187 CO -0.02 0.50 0.11 0.26 -0.69 0.00 0.00 174.62 174.77 3gqz s TRP 188 N 0.44 -0.03 -0.14 4.92 0.52 0.17 -4.99 118.94 119.82 3gqz s TRP 188 Ca -0.18 0.08 -0.22 0.00 0.02 0.00 0.00 56.10 55.81 3gqz s TRP 188 Cb -0.17 -0.01 -0.25 0.00 -1.15 0.00 0.00 33.47 31.89 3gqz s TRP 188 CO 0.07 -0.14 0.55 0.82 0.02 0.00 0.00 176.95 178.27 3gqz h ILE 189 N 4.72 1.28 -3.60 2.03 2.04 -1.85 0.25 117.51 122.38 3gqz h ILE 189 Ca -0.27 -2.33 -0.68 0.00 1.00 0.00 0.00 64.86 62.58 3gqz h ILE 189 Cb 1.20 2.82 -0.29 0.00 -0.74 0.00 0.00 36.82 39.81 3gqz h ILE 189 CO 0.42 0.56 -0.67 0.20 0.00 0.00 0.00 178.15 178.66 3gqz s ASN 190 N -6.72 4.84 -0.09 1.72 0.01 -1.26 -4.75 114.94 108.68 3gqz s ASN 190 Ca -0.22 -0.88 -0.30 0.00 -0.71 0.00 0.00 52.86 50.76 3gqz s ASN 190 Cb 0.02 -1.78 -0.04 0.00 0.41 0.00 0.00 41.25 39.86 3gqz s ASN 190 CO 0.70 -0.19 1.46 -0.69 -1.51 0.00 0.00 177.10 176.87 3gqz s VAL 191 N 1.40 3.88 0.64 1.60 1.01 -1.26 -5.00 120.40 122.66 3gqz s VAL 191 Ca 0.00 1.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.97 3gqz s VAL 191 Cb -0.18 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 3gqz s VAL 191 CO -0.00 -0.08 1.04 -2.16 0.00 0.00 0.00 175.10 173.89 3gqz s PRO 192 N 3.57 3.39 0.33 2.72 0.04 -1.26 -4.86 135.00 138.93 3gqz s PRO 192 Ca 0.65 0.83 0.11 0.00 0.04 0.00 0.00 61.00 62.63 3gqz s PRO 192 Cb -0.28 -2.05 0.96 0.00 0.04 0.00 0.00 34.50 33.17 3gqz s PRO 192 CO 0.23 -0.74 1.70 -1.35 0.04 0.00 0.00 177.00 176.88 3gqz h PRO 193 N -0.41 0.44 0.00 0.56 0.11 -2.01 -0.44 132.00 130.26 3gqz h PRO 193 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3gqz h PRO 193 Cb 1.20 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3gqz h PRO 193 CO 0.60 0.29 0.00 0.00 -0.21 0.00 0.00 178.00 178.69 3gqz h ALA 194 N 1.78 1.00 -0.01 -0.75 0.00 -2.03 -2.82 119.26 116.44 3gqz h ALA 194 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.59 3gqz h ALA 194 Cb 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.20 3gqz h ALA 194 CO -0.54 0.00 -0.33 0.39 0.00 0.00 0.00 179.25 178.77 3gqz n GLU 195 N -3.07 2.40 -0.24 0.00 -0.58 -0.20 -4.67 120.64 114.28 3gqz n GLU 195 Ca -0.02 -0.45 0.10 0.00 -0.42 0.00 0.00 57.16 56.37 3gqz n GLU 195 Cb 0.14 -1.10 0.38 0.00 -0.57 0.00 0.00 31.44 30.28 3gqz n GLU 195 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3gqz h GLU 196 N 0.89 0.68 0.00 3.49 5.08 -1.22 -0.77 114.58 122.74 3gqz h GLU 196 Ca 0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3gqz h GLU 196 Cb 0.36 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3gqz h GLU 196 CO 0.00 0.45 -0.01 1.57 -1.00 0.00 0.00 179.01 180.02 3gqz h LYS 197 N 0.70 0.00 0.00 2.33 2.10 -1.83 -2.54 116.57 117.33 3gqz h LYS 197 Ca 0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 3gqz h LYS 197 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 3gqz h LYS 197 CO -0.16 0.01 -0.87 0.09 -2.00 0.00 0.00 179.45 176.52 3gqz n ASN 198 N -3.15 0.80 -4.61 7.07 3.02 -0.30 -4.90 115.26 113.19 3gqz n ASN 198 Ca -0.01 -0.69 -0.43 0.00 -0.03 0.00 0.00 54.58 53.42 3gqz n ASN 198 Cb 0.19 0.77 -0.02 0.00 -0.61 0.00 0.00 39.78 40.11 3gqz n ASN 198 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3gqz s TYR 199 N -3.02 2.56 0.65 3.10 5.04 -0.96 -0.53 117.35 124.20 3gqz s TYR 199 Ca 0.08 0.72 -0.17 0.00 -2.44 0.00 0.00 57.07 55.27 3gqz s TYR 199 Cb 0.16 -4.28 -0.00 0.00 0.35 0.00 0.00 41.96 38.19 3gqz s TYR 199 CO 0.81 -1.73 1.19 0.00 -1.34 0.00 0.00 175.55 174.49 3gqz s ALA 200 N 4.99 2.37 0.13 3.97 0.00 -0.42 -4.92 121.76 127.88 3gqz s ALA 200 Ca 0.57 0.90 -0.23 0.00 0.00 0.00 0.00 51.96 53.19 3gqz s ALA 200 Cb -0.12 -3.44 -0.07 0.00 0.00 0.00 0.00 23.12 19.48 3gqz s ALA 200 CO 0.31 -1.45 0.71 -1.58 0.00 0.00 0.00 175.76 173.74 3gqz s TRP 201 N -1.84 3.86 0.45 0.00 0.52 -0.26 -4.92 118.94 116.75 3gqz s TRP 201 Ca 0.75 1.51 -0.08 0.00 0.02 0.00 0.00 56.10 58.29 3gqz s TRP 201 Cb -0.29 -2.68 -0.05 0.00 -1.15 0.00 0.00 33.47 29.30 3gqz s TRP 201 CO 0.39 0.52 0.79 0.20 0.02 0.00 0.00 176.95 178.87 3gqz s GLY 202 N -1.04 1.74 -0.15 0.98 0.00 -0.49 -4.81 107.32 103.54 3gqz s GLY 202 Ca 0.34 -0.33 -0.00 0.00 0.00 0.00 0.00 44.72 44.73 3gqz s GLY 202 CO 0.24 -0.14 -0.08 -0.19 0.00 0.00 0.00 173.10 172.93 3gqz s TYR 203 N -2.57 1.82 -0.14 1.90 2.02 -0.60 0.04 117.35 119.82 3gqz s TYR 203 Ca 0.50 -1.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.10 3gqz s TYR 203 Cb -0.10 -1.39 0.02 0.00 -0.40 0.00 0.00 41.96 40.10 3gqz s TYR 203 CO 0.38 -0.62 -0.12 0.50 -1.57 0.00 0.00 175.55 174.13 3gqz s ARG 204 N 1.59 2.02 -1.48 -0.62 3.52 -0.42 -4.44 118.95 119.12 3gqz s ARG 204 Ca 0.02 -0.48 -0.11 0.00 -0.13 0.00 0.00 55.73 55.02 3gqz s ARG 204 Cb -0.14 -1.97 0.06 0.00 -1.56 0.00 0.00 34.95 31.34 3gqz s ARG 204 CO -0.08 -0.26 0.92 0.39 -0.81 0.00 0.00 175.30 175.45 3gqz n GLU 205 N 4.82 -5.66 -0.92 5.12 1.02 -1.26 -1.40 120.64 122.37 3gqz n GLU 205 Ca -0.15 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 3gqz n GLU 205 Cb 0.50 -5.56 0.00 0.00 -0.02 0.00 0.00 31.44 26.35 3gqz n GLU 205 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gqz n GLY 206 N -1.67 0.47 3.72 0.62 0.00 -1.26 -5.00 105.19 102.06 3gqz n GLY 206 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3gqz n GLY 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqz s LYS 207 N -0.56 3.83 -0.09 1.61 -0.14 -0.49 -5.07 119.74 118.83 3gqz s LYS 207 Ca 0.00 -0.27 -0.30 0.00 -1.36 0.00 0.00 55.97 54.04 3gqz s LYS 207 Cb 0.00 -3.22 -0.03 0.00 -1.68 0.00 0.00 37.83 32.89 3gqz s LYS 207 CO 0.00 0.43 1.35 0.00 -0.76 0.00 0.00 175.35 176.37 3gqz s ALA 208 N -0.05 3.61 0.02 5.17 0.00 -1.26 -1.31 121.76 127.94 3gqz s ALA 208 Ca 0.08 0.67 0.01 0.00 0.00 0.00 0.00 51.96 52.71 3gqz s ALA 208 Cb -0.12 -3.62 -0.02 0.00 0.00 0.00 0.00 23.12 19.37 3gqz s ALA 208 CO 0.01 -1.08 -0.04 0.14 0.00 0.00 0.00 175.76 174.79 3gqz s VAL 209 N 3.10 0.24 0.27 0.00 -7.23 0.11 -4.94 120.40 111.94 3gqz s VAL 209 Ca 0.60 -0.73 0.10 0.00 -1.81 0.00 0.00 61.98 60.14 3gqz s VAL 209 Cb -0.26 -0.32 -0.04 0.00 0.56 0.00 0.00 36.38 36.31 3gqz s VAL 209 CO 0.21 -0.32 -0.06 -1.00 -0.31 0.00 0.00 175.10 173.62 3gqz s HIS 210 N -1.05 2.58 0.30 2.82 3.76 -1.26 -1.39 115.29 121.05 3gqz s HIS 210 Ca -0.10 -0.25 -0.30 0.00 -0.15 0.00 0.00 55.06 54.26 3gqz s HIS 210 Cb -0.07 -1.14 -0.11 0.00 1.11 0.00 0.00 32.58 32.37 3gqz s HIS 210 CO -0.00 0.65 1.53 0.54 -0.85 0.00 0.00 174.74 176.60 3gqz s VAL 211 N -2.36 2.23 0.35 -0.90 0.11 -1.26 -4.99 120.40 113.57 3gqz s VAL 211 Ca 0.31 0.20 -0.17 0.00 -2.93 0.00 0.00 61.98 59.38 3gqz s VAL 211 Cb -0.06 -3.13 -0.10 0.00 -1.53 0.00 0.00 36.38 31.57 3gqz s VAL 211 CO 0.18 0.03 0.80 -0.44 -3.33 0.00 0.00 175.10 172.35 3gqz s SER 212 N 0.32 6.85 0.53 3.54 0.01 -1.26 -5.04 113.70 118.65 3gqz s SER 212 Ca 0.60 1.42 -0.22 0.00 1.31 0.00 0.00 55.95 59.06 3gqz s SER 212 Cb -0.46 -2.43 -0.05 0.00 0.21 0.00 0.00 66.02 63.29 3gqz s SER 212 CO 0.50 -0.24 1.38 -2.84 0.41 0.00 0.00 173.24 172.44 3gqz s PRO 213 N -2.97 3.21 0.16 12.44 0.02 -1.26 -5.03 135.00 141.56 3gqz s PRO 213 Ca 0.56 2.28 -0.18 0.00 0.02 0.00 0.00 61.00 63.68 3gqz s PRO 213 Cb -0.10 -2.31 0.04 0.00 0.02 0.00 0.00 34.50 32.14 3gqz s PRO 213 CO 0.16 -1.15 0.49 0.20 -0.33 0.00 0.00 177.00 176.37 3gqz s GLY 214 N -0.87 -0.27 0.22 0.52 0.00 -1.26 -5.08 107.32 100.58 3gqz s GLY 214 Ca 0.70 -0.01 -0.31 0.00 0.00 0.00 0.00 44.72 45.11 3gqz s GLY 214 CO 0.50 -0.20 1.51 0.00 0.00 0.00 0.00 173.10 174.90 3gqz s ALA 215 N -3.82 3.70 -1.92 3.20 0.00 -1.25 -2.42 121.76 119.25 3gqz s ALA 215 Ca 0.05 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.38 3gqz s ALA 215 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.53 3gqz s ALA 215 CO -0.09 -0.78 0.00 1.28 0.00 0.00 0.00 175.76 176.17 3gqz n LEU 216 N 2.98 -1.63 -0.19 0.00 4.77 -1.26 -4.88 117.00 116.78 3gqz n LEU 216 Ca 0.10 0.27 -0.08 0.00 -0.03 0.00 0.00 56.01 56.27 3gqz n LEU 216 Cb 0.39 -2.76 0.02 0.00 -2.33 0.00 0.00 43.42 38.74 3gqz n LEU 216 CO 0.61 -0.68 0.98 -2.24 -1.33 0.00 0.00 177.39 174.73 3gqz h ASP 217 N 0.00 0.75 -0.59 -1.43 3.04 -1.89 -2.76 116.42 113.54 3gqz h ASP 217 Ca -0.43 -0.16 0.08 0.00 -3.24 0.00 0.00 57.03 53.28 3gqz h ASP 217 Cb 1.31 -0.19 -0.06 0.00 -1.04 0.00 0.00 39.33 39.34 3gqz h ASP 217 CO 0.57 0.70 0.25 0.00 -2.04 0.00 0.00 179.24 178.73 3gqz h ALA 218 N 1.08 0.76 0.00 4.15 0.00 -1.88 -0.35 119.26 123.01 3gqz h ALA 218 Ca 0.18 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3gqz h ALA 218 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3gqz h ALA 218 CO -0.02 -0.14 -0.19 0.93 0.00 0.00 0.00 179.25 179.83 3gqz h GLU 219 N 0.46 0.00 0.00 0.00 3.07 -1.86 -3.25 114.58 112.99 3gqz h GLU 219 Ca 0.28 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.96 3gqz h GLU 219 Cb 0.30 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.17 3gqz h GLU 219 CO -0.25 0.19 -1.71 0.00 -1.40 0.00 0.00 179.01 175.84 3gqz n ALA 220 N -2.16 1.73 -2.31 3.43 0.00 -1.01 -4.52 120.51 115.66 3gqz n ALA 220 Ca 0.02 -0.56 -0.05 0.00 0.00 0.00 0.00 53.44 52.85 3gqz n ALA 220 Cb 0.52 0.17 0.02 0.00 0.00 0.00 0.00 19.45 20.17 3gqz n ALA 220 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3gqz n TYR 221 N -2.77 -0.94 0.60 0.00 0.18 -0.30 -4.11 117.16 109.81 3gqz n TYR 221 Ca -0.21 -1.06 0.07 0.00 1.88 0.00 0.00 57.90 58.58 3gqz n TYR 221 Cb 0.76 0.98 0.02 0.00 -0.38 0.00 0.00 39.34 40.72 3gqz n TYR 221 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3gqz n GLY 222 N -0.71 -0.07 3.78 -7.48 0.00 -0.30 -4.12 105.19 96.30 3gqz n GLY 222 Ca -0.23 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 3gqz n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqz s VAL 223 N -1.49 4.83 -0.04 1.61 1.01 -1.26 -4.45 120.40 120.61 3gqz s VAL 223 Ca 0.13 1.27 0.06 0.00 0.00 0.00 0.00 61.98 63.44 3gqz s VAL 223 Cb 0.11 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3gqz s VAL 223 CO 0.28 0.46 -0.20 -0.54 0.00 0.00 0.00 175.10 175.10 3gqz s LYS 224 N -0.51 2.32 0.18 2.72 3.01 0.88 -1.41 119.74 126.92 3gqz s LYS 224 Ca 0.31 -0.81 -0.18 0.00 -1.01 0.00 0.00 55.97 54.28 3gqz s LYS 224 Cb -0.19 -2.22 0.03 0.00 -1.01 0.00 0.00 37.83 34.44 3gqz s LYS 224 CO 0.18 0.59 0.52 0.45 0.51 0.00 0.00 175.35 177.60 3gqz s SER 225 N -0.67 -0.28 0.45 2.83 0.15 -0.55 -0.66 113.70 114.96 3gqz s SER 225 Ca 0.11 -0.42 0.03 0.00 0.70 0.00 0.00 55.95 56.37 3gqz s SER 225 Cb -0.10 0.57 0.01 0.00 -1.71 0.00 0.00 66.02 64.78 3gqz s SER 225 CO -0.00 -1.02 0.65 0.42 1.20 0.00 0.00 173.24 174.48 3gqz s THR 226 N -3.85 3.47 0.29 6.45 -4.23 -1.24 -0.57 115.64 115.95 3gqz s THR 226 Ca 0.08 -0.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.86 3gqz s THR 226 Cb -0.01 -3.25 0.15 0.00 1.34 0.00 0.00 72.50 70.74 3gqz s THR 226 CO -0.05 -0.15 1.83 -0.29 -0.54 0.00 0.00 174.62 175.43 3gqz h ILE 227 N 0.44 1.22 -0.31 2.99 6.09 -1.76 -1.19 117.51 124.98 3gqz h ILE 227 Ca -0.44 -0.82 -0.12 0.00 -1.37 0.00 0.00 64.86 62.11 3gqz h ILE 227 Cb 1.27 0.76 -0.01 0.00 0.47 0.00 0.00 36.82 39.32 3gqz h ILE 227 CO 0.53 0.30 -0.27 -0.33 -3.07 0.00 0.00 178.15 175.30 3gqz h GLU 228 N 0.71 0.73 -0.72 2.19 5.08 -1.95 0.50 114.58 121.13 3gqz h GLU 228 Ca 0.16 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 3gqz h GLU 228 Cb 0.32 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3gqz h GLU 228 CO 0.00 0.99 0.27 -0.44 -1.00 0.00 0.00 179.01 178.83 3gqz h ASP 229 N 0.49 1.01 0.05 1.42 5.19 -1.88 -1.74 116.42 120.96 3gqz h ASP 229 Ca 0.05 -0.18 -0.09 0.00 -0.62 0.00 0.00 57.03 56.19 3gqz h ASP 229 Cb 0.84 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 3gqz h ASP 229 CO 0.07 0.92 -0.29 0.24 -3.12 0.00 0.00 179.24 177.06 3gqz h MET 230 N 1.04 0.37 -0.53 3.56 2.86 -1.07 0.93 114.93 122.08 3gqz h MET 230 Ca 0.24 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3gqz h MET 230 Cb 0.24 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 3gqz h MET 230 CO -0.02 0.63 0.32 0.00 1.06 0.00 0.00 176.91 178.90 3gqz h ALA 231 N 1.38 0.68 -0.68 6.32 0.00 -0.64 -1.73 119.26 124.59 3gqz h ALA 231 Ca 0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3gqz h ALA 231 Cb 0.68 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3gqz h ALA 231 CO 0.05 0.16 0.23 0.00 0.00 0.00 0.00 179.25 179.69 3gqz h ARG 232 N 0.72 1.04 -0.70 0.00 3.08 -0.64 -1.18 114.38 116.69 3gqz h ARG 232 Ca 0.19 -0.21 0.10 0.00 0.07 0.00 0.00 59.98 60.12 3gqz h ARG 232 Cb -0.01 -0.16 -0.07 0.00 0.08 0.00 0.00 29.97 29.81 3gqz h ARG 232 CO -0.04 0.89 0.34 2.35 -1.07 0.00 0.00 179.97 182.44 3gqz h TRP 233 N 0.98 0.60 -0.27 3.04 -0.00 -0.65 -0.85 115.95 118.80 3gqz h TRP 233 Ca 0.22 0.03 -0.07 0.00 -0.00 0.00 0.00 58.89 59.07 3gqz h TRP 233 Cb 0.27 -0.16 -0.01 0.00 -0.00 0.00 0.00 29.16 29.26 3gqz h TRP 233 CO 0.02 0.20 -0.10 0.28 -0.00 0.00 0.00 178.44 178.84 3gqz h VAL 234 N 0.57 1.29 -0.82 2.65 2.07 -0.91 -2.33 116.25 118.77 3gqz h VAL 234 Ca 0.35 -1.16 0.06 0.00 0.82 0.00 0.00 66.70 66.77 3gqz h VAL 234 Cb 0.39 1.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.58 3gqz h VAL 234 CO -0.28 0.37 0.51 1.56 0.02 0.00 0.00 177.57 179.74 3gqz h GLN 235 N 0.29 0.90 -0.59 1.57 4.20 -0.93 0.27 115.11 120.82 3gqz h GLN 235 Ca 0.06 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 3gqz h GLN 235 Cb 0.60 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 3gqz h GLN 235 CO 0.03 0.60 0.12 0.77 -0.67 0.00 0.00 178.83 179.68 3gqz h SER 236 N 0.93 0.91 1.03 1.46 0.02 -1.04 -1.84 113.55 115.01 3gqz h SER 236 Ca 0.36 -0.25 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 3gqz h SER 236 Cb 0.16 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 3gqz h SER 236 CO -0.17 0.92 -0.58 0.78 -1.14 0.00 0.00 176.83 176.65 3gqz h ASN 237 N 0.86 0.00 -0.44 3.07 2.35 -1.14 -2.85 115.58 117.44 3gqz h ASN 237 Ca 0.18 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.83 3gqz h ASN 237 Cb 0.38 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3gqz h ASN 237 CO 0.01 0.58 -0.11 -0.07 -1.65 0.00 0.00 177.43 176.18 3gqz h LEU 238 N 0.00 0.86 -6.08 1.61 3.38 -0.77 -3.40 115.31 110.91 3gqz h LEU 238 Ca -0.01 -0.36 -0.57 0.00 0.09 0.00 0.00 57.88 57.03 3gqz h LEU 238 Cb 1.24 -0.23 -0.39 0.00 0.09 0.00 0.00 40.66 41.37 3gqz h LEU 238 CO 0.07 1.02 -1.07 1.17 0.09 0.00 0.00 178.44 179.73 3gqz n LYS 239 N -4.27 0.67 0.24 1.13 4.81 -0.71 -4.75 118.16 115.28 3gqz n LYS 239 Ca -0.00 -3.26 0.16 0.00 -0.87 0.00 0.00 58.31 54.33 3gqz n LYS 239 Cb 0.38 -1.34 0.62 0.00 0.02 0.00 0.00 35.03 34.72 3gqz n LYS 239 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3gqz h PRO 240 N 4.32 0.00 0.00 1.64 0.13 -1.73 -2.73 132.00 133.63 3gqz h PRO 240 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3gqz h PRO 240 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3gqz h PRO 240 CO 0.46 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.51 3gqz n LEU 241 N -2.89 0.49 -0.02 1.56 4.77 -1.26 -1.36 117.00 118.30 3gqz n LEU 241 Ca 0.01 0.63 0.13 0.00 -0.03 0.00 0.00 56.01 56.75 3gqz n LEU 241 Cb 0.30 -0.58 0.39 0.00 -2.33 0.00 0.00 43.42 41.20 3gqz n LEU 241 CO 0.26 -0.53 0.64 0.47 -1.33 0.00 0.00 177.39 176.90 3gqz n ASP 242 N -2.06 0.36 -4.69 -1.43 10.43 -1.03 -4.82 116.55 113.31 3gqz n ASP 242 Ca 0.02 -0.06 -0.42 0.00 2.57 0.00 0.00 54.79 56.90 3gqz n ASP 242 Cb 0.19 -0.01 -0.03 0.00 1.84 0.00 0.00 41.12 43.12 3gqz n ASP 242 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3gqz s ILE 243 N -2.95 4.81 0.10 0.53 1.01 -0.46 -4.96 121.20 119.28 3gqz s ILE 243 Ca 0.13 1.96 -0.05 0.00 0.00 0.00 0.00 60.65 62.70 3gqz s ILE 243 Cb 0.18 -4.28 -0.24 0.00 0.01 0.00 0.00 42.46 38.14 3gqz s ILE 243 CO 0.63 0.02 1.22 0.78 0.00 0.00 0.00 174.94 177.59 3gqz h ASN 244 N 7.10 0.50 -2.66 3.58 2.35 -1.87 -3.43 115.58 121.14 3gqz h ASN 244 Ca -0.32 -0.46 -0.58 0.00 -0.55 0.00 0.00 56.30 54.39 3gqz h ASN 244 Cb 1.15 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 39.33 3gqz h ASN 244 CO 0.84 1.31 1.27 -0.70 -1.65 0.00 0.00 177.43 178.50 3gqz s GLU 245 N -2.97 3.34 0.14 0.81 2.12 -1.26 -4.90 118.70 115.98 3gqz s GLU 245 Ca -0.05 1.43 -0.20 0.00 0.36 0.00 0.00 54.97 56.51 3gqz s GLU 245 Cb 0.08 -4.20 -0.00 0.00 0.26 0.00 0.00 34.13 30.27 3gqz s GLU 245 CO 0.88 -1.85 1.69 0.87 -0.54 0.00 0.00 175.26 176.31 3gqz h LYS 246 N 12.85 -0.01 -0.13 4.30 1.57 -2.00 -1.14 116.57 132.00 3gqz h LYS 246 Ca -0.34 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.37 3gqz h LYS 246 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 3gqz h LYS 246 CO 1.03 -0.01 -0.27 1.79 -0.57 0.00 0.00 179.45 181.42 3gqz h THR 247 N -0.01 1.25 -0.21 -0.16 1.35 -1.91 -0.80 112.91 112.42 3gqz h THR 247 Ca 0.11 -1.16 -0.10 0.00 -0.55 0.00 0.00 66.41 64.71 3gqz h THR 247 Cb 0.18 1.45 -0.00 0.00 -1.73 0.00 0.00 68.15 68.05 3gqz h THR 247 CO -0.25 0.35 -0.28 0.25 -0.25 0.00 0.00 175.52 175.35 3gqz h LEU 248 N 0.22 0.61 -0.37 3.87 5.85 -1.75 0.13 115.31 123.86 3gqz h LEU 248 Ca 0.03 -0.51 0.07 0.00 0.84 0.00 0.00 57.88 58.32 3gqz h LEU 248 Cb 0.60 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.39 3gqz h LEU 248 CO 0.04 0.99 -0.03 -0.61 -0.34 0.00 0.00 178.44 178.50 3gqz h GLN 249 N 0.24 0.07 -0.31 1.25 4.15 -0.92 0.27 115.11 119.86 3gqz h GLN 249 Ca 0.03 -0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.34 3gqz h GLN 249 Cb 0.85 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.51 3gqz h GLN 249 CO 0.07 0.05 -0.22 1.96 -1.93 0.00 0.00 178.83 178.75 3gqz h GLN 250 N 0.07 0.58 -0.47 1.69 4.20 -1.09 -2.47 115.11 117.62 3gqz h GLN 250 Ca 0.18 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3gqz h GLN 250 Cb 0.26 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 3gqz h GLN 250 CO -0.33 0.76 0.22 0.78 -0.67 0.00 0.00 178.83 179.59 3gqz h GLY 251 N 1.00 0.73 1.01 3.46 0.00 -0.21 0.07 103.07 109.13 3gqz h GLY 251 Ca 0.08 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 3gqz h GLY 251 CO 0.05 0.35 0.43 -2.22 0.00 0.00 0.00 176.54 175.14 3gqz h ILE 252 N 0.62 1.22 -0.71 2.60 2.04 -0.87 -1.48 117.51 120.92 3gqz h ILE 252 Ca 0.16 -0.51 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 3gqz h ILE 252 Cb 0.13 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 3gqz h ILE 252 CO -0.02 0.23 0.22 1.56 0.00 0.00 0.00 178.15 180.15 3gqz h GLN 253 N 1.01 1.11 -0.20 2.37 4.20 -1.17 -2.86 115.11 119.58 3gqz h GLN 253 Ca 0.26 -0.24 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 3gqz h GLN 253 Cb 0.00 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 3gqz h GLN 253 CO -0.05 0.95 -0.22 -0.07 -0.67 0.00 0.00 178.83 178.77 3gqz h LEU 254 N 1.05 0.35 -1.25 1.46 3.38 -0.68 -2.79 115.31 116.83 3gqz h LEU 254 Ca 0.23 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3gqz h LEU 254 Cb 0.31 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3gqz h LEU 254 CO -0.01 0.58 -0.09 0.00 0.09 0.00 0.00 178.44 179.01 3gqz h ALA 255 N 1.45 1.01 -0.34 1.53 0.00 -1.05 -2.79 119.26 119.08 3gqz h ALA 255 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gqz h ALA 255 Cb 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3gqz h ALA 255 CO 0.04 0.11 0.00 1.04 0.00 0.00 0.00 179.25 180.44 3gqz n GLN 256 N -3.22 2.39 -1.72 0.00 6.02 -1.07 -0.96 117.38 118.82 3gqz n GLN 256 Ca 0.01 -2.18 -0.33 0.00 -0.01 0.00 0.00 57.00 54.48 3gqz n GLN 256 Cb 0.37 -1.48 0.05 0.00 1.02 0.00 0.00 30.24 30.20 3gqz n GLN 256 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3gqz s SER 257 N -1.45 4.94 -0.39 1.08 0.01 -1.05 -4.04 113.70 112.80 3gqz s SER 257 Ca 0.35 2.09 -0.12 0.00 1.31 0.00 0.00 55.95 59.58 3gqz s SER 257 Cb 0.21 -2.56 0.02 0.00 0.21 0.00 0.00 66.02 63.90 3gqz s SER 257 CO 0.29 -1.74 0.24 -0.13 0.41 0.00 0.00 173.24 172.31 3gqz s ARG 258 N -4.00 2.89 -0.19 12.44 0.52 -0.23 -4.01 118.95 126.38 3gqz s ARG 258 Ca 0.69 -1.05 0.13 0.00 -0.52 0.00 0.00 55.73 54.98 3gqz s ARG 258 Cb -0.23 -3.82 -0.23 0.00 0.52 0.00 0.00 34.95 31.20 3gqz s ARG 258 CO 0.41 -0.71 0.11 0.66 0.02 0.00 0.00 175.30 175.80 3gqz n TYR 259 N 5.05 0.20 -3.91 -0.53 4.01 -0.66 -2.21 117.16 119.12 3gqz n TYR 259 Ca -0.12 0.06 -0.10 0.00 -0.16 0.00 0.00 57.90 57.59 3gqz n TYR 259 Cb 0.46 -1.03 -0.10 0.00 -0.31 0.00 0.00 39.34 38.36 3gqz n TYR 259 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3gqz s TRP 260 N -2.51 0.14 -0.09 -0.72 0.52 -1.25 -1.72 118.94 113.32 3gqz s TRP 260 Ca -0.15 -0.34 0.04 0.00 0.02 0.00 0.00 56.10 55.68 3gqz s TRP 260 Cb 0.07 -0.11 0.00 0.00 -1.15 0.00 0.00 33.47 32.28 3gqz s TRP 260 CO 0.78 -0.30 -0.21 -1.14 0.02 0.00 0.00 176.95 176.10 3gqz s GLN 261 N -1.87 2.63 -0.10 4.98 0.74 -0.88 -1.44 119.66 123.73 3gqz s GLN 261 Ca -0.11 -0.76 0.00 0.00 0.05 0.00 0.00 55.36 54.54 3gqz s GLN 261 Cb -0.06 -2.05 0.02 0.00 1.10 0.00 0.00 33.01 32.03 3gqz s GLN 261 CO -0.01 0.17 -0.08 -0.08 -0.55 0.00 0.00 175.29 174.74 3gqz s THR 262 N 0.35 0.97 0.00 -0.34 -1.32 -0.48 -1.70 115.64 113.12 3gqz s THR 262 Ca -0.16 -0.29 0.00 0.00 -1.21 0.00 0.00 61.69 60.04 3gqz s THR 262 Cb -0.17 -0.98 0.00 0.00 -1.51 0.00 0.00 72.50 69.84 3gqz s THR 262 CO 0.07 0.35 0.00 0.61 -2.21 0.00 0.00 174.62 173.44 3gqz n GLY 263 N 4.69 4.03 0.91 6.08 0.00 -1.26 -1.50 105.19 118.13 3gqz n GLY 263 Ca -0.15 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.09 3gqz n GLY 263 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gqz n ASP 264 N 7.35 2.82 -4.89 1.61 5.75 -1.26 -4.97 116.55 122.95 3gqz n ASP 264 Ca 0.00 -1.93 -0.34 0.00 -0.01 0.00 0.00 54.79 52.52 3gqz n ASP 264 Cb 0.00 -0.03 -0.05 0.00 -1.03 0.00 0.00 41.12 40.01 3gqz n ASP 264 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gqz s MET 265 N -1.95 3.41 -0.07 0.11 0.23 -0.56 -4.51 119.30 115.96 3gqz s MET 265 Ca 0.31 -0.31 0.03 0.00 -1.03 0.00 0.00 55.69 54.69 3gqz s MET 265 Cb 0.20 -3.09 -0.02 0.00 -1.53 0.00 0.00 34.83 30.39 3gqz s MET 265 CO 0.31 0.69 -0.16 0.71 -2.03 0.00 0.00 175.02 174.53 3gqz s TYR 266 N -1.28 2.67 -0.22 3.16 2.02 1.00 -1.39 117.35 123.31 3gqz s TYR 266 Ca 0.25 -0.43 -0.16 0.00 -0.37 0.00 0.00 57.07 56.36 3gqz s TYR 266 Cb -0.12 -1.68 -0.04 0.00 -0.40 0.00 0.00 41.96 39.72 3gqz s TYR 266 CO 0.17 -0.02 0.44 -1.14 -1.57 0.00 0.00 175.55 173.42 3gqz s GLN 267 N -0.29 4.13 0.00 -0.62 2.00 -0.52 -0.99 119.66 123.38 3gqz s GLN 267 Ca 0.02 0.23 0.00 0.00 -2.00 0.00 0.00 55.36 53.61 3gqz s GLN 267 Cb -0.13 -3.58 0.00 0.00 0.80 0.00 0.00 33.01 30.10 3gqz s GLN 267 CO 0.03 -0.15 0.00 0.41 -0.50 0.00 0.00 175.29 175.07 3gqz n GLY 268 N 4.13 2.48 3.40 2.59 0.00 -0.13 -1.65 105.19 116.00 3gqz n GLY 268 Ca -0.07 -2.03 -0.44 0.00 0.00 0.00 0.00 46.02 43.48 3gqz n GLY 268 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gqz s LEU 269 N 0.00 5.17 0.00 0.99 1.43 -0.14 -4.57 118.68 121.57 3gqz s LEU 269 Ca 0.00 -1.29 0.00 0.00 -1.03 0.00 0.00 54.13 51.81 3gqz s LEU 269 Cb 0.00 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.88 3gqz s LEU 269 CO 0.00 -1.15 0.00 0.61 0.23 0.00 0.00 176.35 176.04 3gqz n GLY 270 N 5.28 1.88 3.75 -3.19 0.00 -1.26 -4.32 105.19 107.32 3gqz n GLY 270 Ca -0.08 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 3gqz n GLY 270 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3gqz s TRP 271 N 0.00 2.34 0.08 1.61 0.52 -1.26 -4.67 118.94 117.56 3gqz s TRP 271 Ca 0.00 1.50 0.09 0.00 0.02 0.00 0.00 56.10 57.71 3gqz s TRP 271 Cb 0.00 -3.54 -0.04 0.00 -1.15 0.00 0.00 33.47 28.74 3gqz s TRP 271 CO 0.00 -2.38 -0.23 -1.21 0.02 0.00 0.00 176.95 173.15 3gqz s GLU 272 N -3.28 1.72 0.04 4.98 2.02 -0.94 -0.96 118.70 122.28 3gqz s GLU 272 Ca 0.77 -1.17 0.02 0.00 0.02 0.00 0.00 54.97 54.61 3gqz s GLU 272 Cb -0.32 -2.02 -0.02 0.00 0.10 0.00 0.00 34.13 31.86 3gqz s GLU 272 CO 0.35 0.49 -0.08 -1.64 0.02 0.00 0.00 175.26 174.41 3gqz s MET 273 N -1.71 0.52 0.06 1.61 -1.94 -0.16 -1.05 119.30 116.64 3gqz s MET 273 Ca 0.14 -0.67 0.01 0.00 -1.71 0.00 0.00 55.69 53.46 3gqz s MET 273 Cb -0.10 -0.33 -0.03 0.00 2.01 0.00 0.00 34.83 36.37 3gqz s MET 273 CO 0.05 0.07 -0.06 -0.51 -0.01 0.00 0.00 175.02 174.56 3gqz s LEU 274 N -1.35 2.37 0.29 -0.03 1.02 -0.53 -0.00 118.68 120.46 3gqz s LEU 274 Ca -0.08 -0.76 -0.29 0.00 0.02 0.00 0.00 54.13 53.02 3gqz s LEU 274 Cb -0.09 -0.04 -0.10 0.00 0.02 0.00 0.00 46.19 45.98 3gqz s LEU 274 CO 0.00 -0.37 1.43 -1.81 0.02 0.00 0.00 176.35 175.62 3gqz s ASP 275 N -2.24 6.61 -0.16 2.29 1.01 -1.26 -0.21 116.67 122.71 3gqz s ASP 275 Ca -0.01 2.75 -0.08 0.00 0.71 0.00 0.00 52.55 55.92 3gqz s ASP 275 Cb -0.02 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 3gqz s ASP 275 CO -0.03 -0.70 0.11 0.86 0.21 0.00 0.00 175.17 175.62 3gqz s TRP 276 N -0.46 3.43 0.44 4.23 -0.11 -0.34 -3.24 118.94 122.89 3gqz s TRP 276 Ca 0.56 0.34 -0.23 0.00 1.22 0.00 0.00 56.10 57.99 3gqz s TRP 276 Cb -0.43 -2.05 -0.08 0.00 -1.50 0.00 0.00 33.47 29.42 3gqz s TRP 276 CO 0.49 0.43 1.13 -1.25 -4.62 0.00 0.00 176.95 173.13 3gqz s PRO 277 N -0.17 3.89 0.29 5.86 0.04 -1.26 -4.77 135.00 138.88 3gqz s PRO 277 Ca 0.10 1.71 0.01 0.00 0.04 0.00 0.00 61.00 62.85 3gqz s PRO 277 Cb -0.12 -2.46 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 3gqz s PRO 277 CO 0.01 -0.42 0.48 0.14 0.04 0.00 0.00 177.00 177.25 3gqz s VAL 278 N -1.57 5.15 -0.41 -0.36 -7.23 -1.20 -5.06 120.40 109.72 3gqz s VAL 278 Ca 0.61 -0.48 -0.28 0.00 -1.81 0.00 0.00 61.98 60.02 3gqz s VAL 278 Cb -0.27 -3.82 0.02 0.00 0.56 0.00 0.00 36.38 32.87 3gqz s VAL 278 CO 0.33 -0.42 1.07 0.21 -0.31 0.00 0.00 175.10 175.98 3gqz s ASN 279 N -3.76 6.73 0.19 4.85 3.84 -1.26 -4.96 114.94 120.57 3gqz s ASN 279 Ca 0.39 0.65 -0.12 0.00 0.21 0.00 0.00 52.86 53.99 3gqz s ASN 279 Cb -0.10 -2.53 0.18 0.00 -0.55 0.00 0.00 41.25 38.25 3gqz s ASN 279 CO 0.33 -1.05 1.78 1.55 -2.79 0.00 0.00 177.10 176.91 3gqz h PRO 280 N 8.72 0.47 0.00 0.43 0.13 -2.00 -1.87 132.00 137.88 3gqz h PRO 280 Ca -0.22 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3gqz h PRO 280 Cb 1.06 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3gqz h PRO 280 CO 1.07 0.31 0.00 -0.25 -0.23 0.00 0.00 178.00 178.90 3gqz n ASP 281 N -4.91 0.21 -0.03 1.44 8.00 -1.26 -1.04 116.55 118.96 3gqz n ASP 281 Ca 0.06 0.55 -0.15 0.00 0.71 0.00 0.00 54.79 55.96 3gqz n ASP 281 Cb 0.17 -0.60 -0.11 0.00 -0.02 0.00 0.00 41.12 40.57 3gqz n ASP 281 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 3gqz h SER 282 N 0.00 0.23 0.27 -2.24 0.87 -1.76 -2.59 113.55 108.34 3gqz h SER 282 Ca 0.00 -0.70 -0.16 0.00 -1.23 0.00 0.00 61.79 59.69 3gqz h SER 282 Cb 0.32 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 3gqz h SER 282 CO 0.00 0.90 -0.64 0.16 -0.53 0.00 0.00 176.83 176.72 3gqz h ILE 283 N -0.41 1.38 0.43 2.23 3.07 -1.31 -0.43 117.51 122.46 3gqz h ILE 283 Ca -0.02 -2.02 -0.02 0.00 1.55 0.00 0.00 64.86 64.35 3gqz h ILE 283 Cb 0.91 2.01 0.00 0.00 -0.27 0.00 0.00 36.82 39.48 3gqz h ILE 283 CO 0.04 0.60 -0.21 0.40 -1.05 0.00 0.00 178.15 177.94 3gqz h ILE 284 N 0.25 0.38 -0.05 0.16 2.04 -1.22 -2.47 117.51 116.61 3gqz h ILE 284 Ca -0.01 -0.56 -0.09 0.00 1.00 0.00 0.00 64.86 65.20 3gqz h ILE 284 Cb 1.18 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 3gqz h ILE 284 CO 0.11 0.07 -0.38 0.78 0.00 0.00 0.00 178.15 178.73 3gqz h ASN 285 N -0.98 0.11 0.70 1.72 -0.26 -1.57 -2.72 115.58 112.58 3gqz h ASN 285 Ca -0.06 -0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.63 3gqz h ASN 285 Cb 0.56 -0.03 -0.00 0.00 -1.06 0.00 0.00 38.32 37.79 3gqz h ASN 285 CO 0.10 0.49 -0.05 1.23 -1.06 0.00 0.00 177.43 178.13 3gqz h GLY 286 N 1.17 0.00 1.84 2.83 0.00 -1.11 -2.83 103.07 104.97 3gqz h GLY 286 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3gqz h GLY 286 CO 0.05 0.00 -0.13 1.48 0.00 0.00 0.00 176.54 177.95 3gqz h SER 287 N 0.00 0.00 -3.31 0.19 4.64 -1.10 -3.22 113.55 110.75 3gqz h SER 287 Ca -0.00 -0.03 -0.53 0.00 -0.47 0.00 0.00 61.79 60.75 3gqz h SER 287 Cb 0.41 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.59 3gqz h SER 287 CO 0.01 0.02 0.87 -0.67 -0.87 0.00 0.00 176.83 176.18 3gqz n ASP 288 N -2.44 3.85 0.30 4.97 2.03 -1.07 -4.59 116.55 119.60 3gqz n ASP 288 Ca 0.05 1.15 0.17 0.00 0.52 0.00 0.00 54.79 56.68 3gqz n ASP 288 Cb 0.46 -1.59 0.97 0.00 -0.72 0.00 0.00 41.12 40.23 3gqz n ASP 288 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 3gqz h ASN 289 N 4.67 0.00 -0.83 1.67 2.35 -1.90 0.74 115.58 122.28 3gqz h ASN 289 Ca -0.47 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.40 3gqz h ASN 289 Cb 1.23 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.54 3gqz h ASN 289 CO 0.78 0.03 0.54 0.11 -1.65 0.00 0.00 177.43 177.24 3gqz h LYS 290 N 0.00 0.67 0.00 0.81 1.57 -1.94 -1.73 116.57 115.95 3gqz h LYS 290 Ca -0.00 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.56 3gqz h LYS 290 Cb 0.11 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3gqz h LYS 290 CO 0.00 0.45 -1.32 -0.89 -0.57 0.00 0.00 179.45 177.12 3gqz n ILE 291 N -4.52 1.50 0.16 1.86 2.08 -0.19 -4.12 119.36 116.12 3gqz n ILE 291 Ca 0.15 -0.02 0.11 0.00 0.56 0.00 0.00 62.75 63.55 3gqz n ILE 291 Cb 0.39 -2.15 0.62 0.00 -0.75 0.00 0.00 39.64 37.75 3gqz n ILE 291 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3gqz h ALA 292 N -0.84 2.09 -0.03 -1.39 0.00 -0.94 -2.15 119.26 115.99 3gqz h ALA 292 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3gqz h ALA 292 Cb 1.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3gqz h ALA 292 CO -0.17 -0.13 -0.08 1.28 0.00 0.00 0.00 179.25 180.16 3gqz n LEU 293 N -4.49 2.79 -4.86 0.00 4.77 -0.65 -4.59 117.00 109.96 3gqz n LEU 293 Ca 0.01 -0.94 -0.32 0.00 -0.03 0.00 0.00 56.01 54.73 3gqz n LEU 293 Cb 0.22 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 3gqz n LEU 293 CO 0.35 0.47 0.41 0.00 -1.33 0.00 0.00 177.39 177.29 3gqz s ALA 294 N -2.08 3.35 0.25 -1.18 0.00 -0.81 -4.64 121.76 116.65 3gqz s ALA 294 Ca 0.27 -0.05 -0.30 0.00 0.00 0.00 0.00 51.96 51.88 3gqz s ALA 294 Cb 0.20 -2.73 -0.09 0.00 0.00 0.00 0.00 23.12 20.50 3gqz s ALA 294 CO 0.34 0.24 1.33 0.00 0.00 0.00 0.00 175.76 177.67 3gqz s ALA 295 N -2.09 3.54 -0.01 0.00 0.00 -1.26 -4.68 121.76 117.26 3gqz s ALA 295 Ca 0.53 1.18 0.01 0.00 0.00 0.00 0.00 51.96 53.68 3gqz s ALA 295 Cb -0.10 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.53 3gqz s ALA 295 CO 0.22 -0.59 -0.04 1.03 0.00 0.00 0.00 175.76 176.38 3gqz s ARG 296 N -0.64 0.41 0.36 0.00 1.81 -0.49 -4.96 118.95 115.44 3gqz s ARG 296 Ca 0.55 -0.15 -0.27 0.00 -1.72 0.00 0.00 55.73 54.14 3gqz s ARG 296 Cb -0.38 -0.42 -0.09 0.00 -0.45 0.00 0.00 34.95 33.61 3gqz s ARG 296 CO 0.43 0.07 1.25 -1.25 -0.68 0.00 0.00 175.30 175.12 3gqz s PRO 297 N 0.05 4.21 0.07 3.54 0.04 -1.26 -0.38 135.00 141.26 3gqz s PRO 297 Ca -0.00 2.06 0.07 0.00 0.04 0.00 0.00 61.00 63.16 3gqz s PRO 297 Cb -0.04 -2.90 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 3gqz s PRO 297 CO -0.00 -0.26 -0.14 0.14 0.04 0.00 0.00 177.00 176.78 3gqz s VAL 298 N -1.24 3.11 -0.31 -0.36 -7.23 -0.77 -4.62 120.40 108.98 3gqz s VAL 298 Ca 0.53 -1.20 -0.07 0.00 -1.81 0.00 0.00 61.98 59.43 3gqz s VAL 298 Cb -0.36 -2.38 0.02 0.00 0.56 0.00 0.00 36.38 34.22 3gqz s VAL 298 CO 0.47 0.24 0.08 -0.75 -0.31 0.00 0.00 175.10 174.83 3gqz s LYS 299 N -1.78 2.93 0.19 4.82 2.20 -0.69 -4.84 119.74 122.57 3gqz s LYS 299 Ca 0.18 -0.97 -0.33 0.00 -0.36 0.00 0.00 55.97 54.49 3gqz s LYS 299 Cb -0.11 -3.39 -0.14 0.00 -1.51 0.00 0.00 37.83 32.68 3gqz s LYS 299 CO 0.09 -0.52 1.44 0.00 -0.36 0.00 0.00 175.35 176.00 3gqz n ALA 300 N 4.84 0.87 -2.98 3.13 0.00 -1.26 -2.07 120.51 123.04 3gqz n ALA 300 Ca -0.14 0.44 -0.45 0.00 0.00 0.00 0.00 53.44 53.29 3gqz n ALA 300 Cb 0.47 -2.26 -0.06 0.00 0.00 0.00 0.00 19.45 17.59 3gqz n ALA 300 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gqz s ILE 301 N 0.31 5.05 -0.33 0.00 1.01 -0.70 -4.92 121.20 121.62 3gqz s ILE 301 Ca 0.74 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 60.40 3gqz s ILE 301 Cb -0.70 -4.29 0.08 0.00 0.01 0.00 0.00 42.46 37.55 3gqz s ILE 301 CO 0.45 -0.82 0.05 -0.89 0.00 0.00 0.00 174.94 173.74 3gqz s THR 302 N 2.12 2.78 0.77 2.92 2.01 -1.26 -1.95 115.64 123.03 3gqz s THR 302 Ca 0.08 -1.85 -0.10 0.00 0.31 0.00 0.00 61.69 60.13 3gqz s THR 302 Cb -0.24 -2.80 0.08 0.00 0.01 0.00 0.00 72.50 69.55 3gqz s THR 302 CO 0.07 -0.38 1.12 -2.16 -0.69 0.00 0.00 174.62 172.58 3gqz s PRO 303 N 1.11 2.00 0.43 4.92 0.04 -1.26 -5.10 135.00 137.15 3gqz s PRO 303 Ca 0.02 -0.06 -0.26 0.00 0.04 0.00 0.00 61.00 60.74 3gqz s PRO 303 Cb -0.20 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 3gqz s PRO 303 CO -0.04 -1.49 1.41 -2.30 0.04 0.00 0.00 177.00 174.62 3gqz n PRO 304 N -3.18 2.26 -2.53 0.56 -0.02 -0.82 -4.95 135.00 126.32 3gqz n PRO 304 Ca 0.08 0.80 -0.42 0.00 -2.02 0.00 0.00 63.50 61.94 3gqz n PRO 304 Cb 0.61 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 3gqz n PRO 304 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3gqz s THR 305 N -1.18 4.38 0.65 3.45 2.01 -0.94 -4.82 115.64 119.19 3gqz s THR 305 Ca 0.60 1.70 -0.17 0.00 0.31 0.00 0.00 61.69 64.13 3gqz s THR 305 Cb -0.46 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 67.92 3gqz s THR 305 CO 0.59 0.05 0.93 -2.65 -0.69 0.00 0.00 174.62 172.84 3gqz n PRO 306 N 4.69 0.72 -1.74 4.92 -0.02 -1.26 -1.06 135.00 141.24 3gqz n PRO 306 Ca 0.09 0.29 -0.68 0.00 -2.02 0.00 0.00 63.50 61.19 3gqz n PRO 306 Cb 0.47 -2.15 -0.10 0.00 -0.02 0.00 0.00 33.50 31.70 3gqz n PRO 306 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gqz n ALA 307 N -2.04 -1.41 -2.64 3.55 0.00 -1.26 -4.76 120.51 111.95 3gqz n ALA 307 Ca 0.13 0.50 -0.40 0.00 0.00 0.00 0.00 53.44 53.68 3gqz n ALA 307 Cb 0.48 -1.91 -0.07 0.00 0.00 0.00 0.00 19.45 17.95 3gqz n ALA 307 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3gqz s VAL 308 N 2.93 5.05 0.11 0.00 1.01 -1.26 -4.98 120.40 123.27 3gqz s VAL 308 Ca 1.04 1.03 -0.22 0.00 0.00 0.00 0.00 61.98 63.84 3gqz s VAL 308 Cb -1.49 -3.88 -0.07 0.00 0.00 0.00 0.00 36.38 30.93 3gqz s VAL 308 CO 0.81 0.11 1.70 0.03 0.00 0.00 0.00 175.10 177.76 3gqz h ARG 309 N 7.68 -0.08 -3.78 2.72 3.08 -1.98 -3.25 114.38 118.76 3gqz h ARG 309 Ca -0.31 0.01 -0.70 0.00 0.07 0.00 0.00 59.98 59.05 3gqz h ARG 309 Cb 1.14 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.19 3gqz h ARG 309 CO 0.75 -0.05 3.29 0.00 -1.07 0.00 0.00 179.97 182.89 3gqz n ALA 310 N -2.35 5.98 -2.73 0.04 0.00 -1.26 -1.89 120.51 118.31 3gqz n ALA 310 Ca -0.04 -3.79 -0.18 0.00 0.00 0.00 0.00 53.44 49.43 3gqz n ALA 310 Cb 0.13 -3.50 -0.12 0.00 0.00 0.00 0.00 19.45 15.95 3gqz n ALA 310 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3gqz s SER 311 N 2.99 1.46 -0.45 0.00 0.01 -1.23 -1.20 113.70 115.28 3gqz s SER 311 Ca 0.52 -0.55 -0.21 0.00 1.31 0.00 0.00 55.95 57.03 3gqz s SER 311 Cb 0.15 -0.05 0.03 0.00 0.21 0.00 0.00 66.02 66.36 3gqz s SER 311 CO -0.08 -0.07 0.67 0.86 0.41 0.00 0.00 173.24 175.03 3gqz s TRP 312 N -1.16 3.04 -0.16 2.43 -0.11 0.71 -4.07 118.94 119.62 3gqz s TRP 312 Ca -0.03 -0.09 -0.05 0.00 1.22 0.00 0.00 56.10 57.15 3gqz s TRP 312 Cb -0.09 -3.44 -0.03 0.00 -1.50 0.00 0.00 33.47 28.41 3gqz s TRP 312 CO 0.02 -0.93 0.02 0.08 -4.62 0.00 0.00 176.95 171.52 3gqz s VAL 313 N 2.90 4.41 0.22 5.86 1.01 -0.05 -1.45 120.40 133.30 3gqz s VAL 313 Ca 0.23 -0.18 -0.18 0.00 0.00 0.00 0.00 61.98 61.86 3gqz s VAL 313 Cb -0.14 -2.95 0.02 0.00 0.00 0.00 0.00 36.38 33.31 3gqz s VAL 313 CO 0.19 0.49 0.56 -1.38 0.00 0.00 0.00 175.10 174.96 3gqz s HIS 314 N 0.22 -0.05 -0.28 5.22 -3.43 -0.21 -0.55 115.29 116.20 3gqz s HIS 314 Ca 0.01 -0.32 -0.15 0.00 -0.80 0.00 0.00 55.06 53.81 3gqz s HIS 314 Cb -0.13 0.43 0.09 0.00 -1.43 0.00 0.00 32.58 31.54 3gqz s HIS 314 CO 0.01 -1.01 0.68 0.21 -2.00 0.00 0.00 174.74 172.64 3gqz s LYS 315 N -3.91 0.68 0.27 -0.38 2.47 -0.45 -2.22 119.74 116.19 3gqz s LYS 315 Ca 0.12 1.27 -0.11 0.00 -1.56 0.00 0.00 55.97 55.69 3gqz s LYS 315 Cb -0.02 0.29 -0.07 0.00 -1.46 0.00 0.00 37.83 36.57 3gqz s LYS 315 CO 0.02 -0.16 0.61 0.95 0.16 0.00 0.00 175.35 176.92 3gqz s THR 316 N 1.90 4.87 -0.05 3.43 -4.23 -1.26 -2.01 115.64 118.29 3gqz s THR 316 Ca -0.09 0.56 -0.10 0.00 -1.18 0.00 0.00 61.69 60.88 3gqz s THR 316 Cb -0.07 -3.63 0.02 0.00 1.34 0.00 0.00 72.50 70.16 3gqz s THR 316 CO -0.20 -0.14 0.24 -0.83 -0.54 0.00 0.00 174.62 173.15 3gqz s GLY 317 N -2.45 -0.13 0.05 3.99 0.00 -0.86 -3.92 107.32 104.02 3gqz s GLY 317 Ca 0.49 0.43 -0.13 0.00 0.00 0.00 0.00 44.72 45.51 3gqz s GLY 317 CO 0.21 0.30 0.28 0.00 0.00 0.00 0.00 173.10 173.89 3gqz s ALA 318 N -0.56 -0.59 0.04 3.20 0.00 -1.26 -0.19 121.76 122.40 3gqz s ALA 318 Ca -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.79 3gqz s ALA 318 Cb -0.04 0.34 -0.00 0.00 0.00 0.00 0.00 23.12 23.42 3gqz s ALA 318 CO 0.02 -0.42 0.01 0.25 0.00 0.00 0.00 175.76 175.61 3gqz n THR 319 N 0.51 0.00 -0.12 0.00 -2.24 -0.78 -3.67 114.28 107.98 3gqz n THR 319 Ca -0.18 -0.20 0.06 0.00 -2.27 0.00 0.00 64.05 61.46 3gqz n THR 319 Cb 0.60 0.06 0.39 0.00 -2.10 0.00 0.00 70.33 69.28 3gqz n THR 319 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3gqz h GLY 320 N 0.12 0.80 -0.17 3.38 0.00 -1.98 -3.25 103.07 101.98 3gqz h GLY 320 Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3gqz h GLY 320 CO 0.05 0.21 0.00 0.61 0.00 0.00 0.00 176.54 177.41 3gqz n GLY 321 N -1.47 -0.02 3.14 4.60 0.00 -1.26 -4.54 105.19 105.64 3gqz n GLY 321 Ca 0.08 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 3gqz n GLY 321 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gqz s PHE 322 N -0.41 0.90 -0.02 1.61 0.40 -1.23 -2.25 117.98 116.98 3gqz s PHE 322 Ca 0.03 -0.66 0.00 0.00 -0.60 0.00 0.00 56.93 55.70 3gqz s PHE 322 Cb 0.02 -0.51 0.02 0.00 0.51 0.00 0.00 43.02 43.06 3gqz s PHE 322 CO 0.02 -0.06 0.01 0.20 0.70 0.00 0.00 175.22 176.09 3gqz s GLY 323 N -2.27 0.18 0.25 4.36 0.00 -0.72 -1.86 107.32 107.27 3gqz s GLY 323 Ca 0.02 0.18 0.04 0.00 0.00 0.00 0.00 44.72 44.96 3gqz s GLY 323 CO -0.01 0.55 -0.01 -0.56 0.00 0.00 0.00 173.10 173.07 3gqz s SER 324 N 0.91 2.12 -0.24 1.64 0.01 0.73 -1.31 113.70 117.57 3gqz s SER 324 Ca -0.09 -1.23 -0.20 0.00 1.31 0.00 0.00 55.95 55.74 3gqz s SER 324 Cb -0.12 -0.05 0.07 0.00 0.21 0.00 0.00 66.02 66.13 3gqz s SER 324 CO -0.02 -0.48 0.63 -0.47 0.41 0.00 0.00 173.24 173.31 3gqz s TYR 325 N -3.31 -0.77 -0.03 2.43 5.04 -0.52 -2.02 117.35 118.18 3gqz s TYR 325 Ca 0.30 1.77 0.03 0.00 -2.44 0.00 0.00 57.07 56.73 3gqz s TYR 325 Cb 0.06 0.32 -0.00 0.00 0.35 0.00 0.00 41.96 42.69 3gqz s TYR 325 CO 0.10 -0.38 -0.12 0.08 -1.34 0.00 0.00 175.55 173.90 3gqz s VAL 326 N 0.68 1.02 -0.11 3.14 1.01 -0.85 -0.84 120.40 124.45 3gqz s VAL 326 Ca -0.03 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.32 3gqz s VAL 326 Cb -0.05 -0.88 0.03 0.00 0.00 0.00 0.00 36.38 35.48 3gqz s VAL 326 CO -0.04 0.30 0.35 0.00 0.00 0.00 0.00 175.10 175.71 3gqz s ALA 327 N 0.06 -0.87 0.11 5.51 0.00 -0.82 -1.35 121.76 124.40 3gqz s ALA 327 Ca -0.02 0.87 -0.14 0.00 0.00 0.00 0.00 51.96 52.67 3gqz s ALA 327 Cb -0.09 -0.44 0.03 0.00 0.00 0.00 0.00 23.12 22.62 3gqz s ALA 327 CO 0.01 -0.19 0.35 -0.59 0.00 0.00 0.00 175.76 175.34 3gqz s PHE 328 N -0.14 -0.12 -0.33 0.00 -0.71 0.29 -0.37 117.98 116.59 3gqz s PHE 328 Ca -0.03 -0.20 0.00 0.00 -1.04 0.00 0.00 56.93 55.66 3gqz s PHE 328 Cb -0.03 0.18 0.10 0.00 -1.21 0.00 0.00 43.02 42.06 3gqz s PHE 328 CO 0.01 -0.65 0.11 0.42 -1.34 0.00 0.00 175.22 173.77 3gqz s ILE 329 N -3.72 1.17 0.24 -4.49 1.01 0.27 -0.87 121.20 114.81 3gqz s ILE 329 Ca 0.03 -1.69 -0.05 0.00 0.00 0.00 0.00 60.65 58.93 3gqz s ILE 329 Cb 0.02 -1.88 0.20 0.00 0.01 0.00 0.00 42.46 40.82 3gqz s ILE 329 CO -0.11 -0.69 1.75 -0.65 0.00 0.00 0.00 174.94 175.24 3gqz h PRO 330 N 7.85 0.51 -0.73 2.79 0.11 -1.70 -1.18 132.00 139.65 3gqz h PRO 330 Ca -0.11 -0.03 0.16 0.00 0.11 0.00 0.00 66.00 66.14 3gqz h PRO 330 Cb 1.00 -0.11 -0.12 0.00 0.11 0.00 0.00 31.00 31.88 3gqz h PRO 330 CO 0.48 0.34 0.09 1.49 -0.21 0.00 0.00 178.00 180.19 3gqz h GLU 331 N 0.52 0.18 -0.01 1.05 4.57 -1.69 -2.58 114.58 116.62 3gqz h GLU 331 Ca 0.39 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.56 3gqz h GLU 331 Cb 0.52 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 3gqz h GLU 331 CO -0.34 0.12 -0.11 1.63 -1.18 0.00 0.00 179.01 179.12 3gqz n LYS 332 N -5.25 1.27 -3.66 1.92 4.76 -0.48 -4.94 118.16 111.79 3gqz n LYS 332 Ca 0.13 -0.73 -0.26 0.00 -2.87 0.00 0.00 58.31 54.58 3gqz n LYS 332 Cb 0.46 -1.48 0.05 0.00 -1.84 0.00 0.00 35.03 32.22 3gqz n LYS 332 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3gqz n GLU 333 N -0.23 -6.71 -4.37 1.97 1.02 -0.97 -4.61 120.64 106.73 3gqz n GLU 333 Ca 0.16 0.74 -0.20 0.00 -0.02 0.00 0.00 57.16 57.84 3gqz n GLU 333 Cb 0.35 -5.72 -0.16 0.00 -0.02 0.00 0.00 31.44 25.89 3gqz n GLU 333 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3gqz s LEU 334 N -7.23 1.73 0.23 -4.62 2.96 -1.19 -2.23 118.68 108.33 3gqz s LEU 334 Ca 0.59 -0.18 -0.17 0.00 -0.22 0.00 0.00 54.13 54.15 3gqz s LEU 334 Cb -0.28 -0.55 0.02 0.00 0.50 0.00 0.00 46.19 45.88 3gqz s LEU 334 CO 0.73 0.05 0.56 -0.83 -1.32 0.00 0.00 176.35 175.54 3gqz s GLY 335 N 0.30 0.11 -0.05 7.98 0.00 -0.25 -0.57 107.32 114.84 3gqz s GLY 335 Ca -0.05 -0.46 -0.07 0.00 0.00 0.00 0.00 44.72 44.15 3gqz s GLY 335 CO 0.01 -0.33 0.18 -1.50 0.00 0.00 0.00 173.10 171.45 3gqz s ILE 336 N -3.93 0.02 -0.06 0.90 2.07 0.50 -0.65 121.20 120.05 3gqz s ILE 336 Ca 0.14 -0.19 0.05 0.00 -1.41 0.00 0.00 60.65 59.24 3gqz s ILE 336 Cb -0.02 -0.32 -0.01 0.00 0.13 0.00 0.00 42.46 42.24 3gqz s ILE 336 CO 0.04 -0.10 -0.22 -0.69 -1.91 0.00 0.00 174.94 172.05 3gqz s VAL 337 N -0.32 1.84 -0.17 4.00 1.01 -0.14 -1.94 120.40 124.67 3gqz s VAL 337 Ca -0.04 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 3gqz s VAL 337 Cb -0.03 -1.56 0.04 0.00 0.00 0.00 0.00 36.38 34.83 3gqz s VAL 337 CO 0.01 0.51 -0.05 -0.04 0.00 0.00 0.00 175.10 175.54 3gqz s MET 338 N -0.03 1.39 -0.14 2.72 -1.94 -0.02 -1.63 119.30 119.64 3gqz s MET 338 Ca -0.05 -0.54 0.02 0.00 -1.71 0.00 0.00 55.69 53.40 3gqz s MET 338 Cb -0.13 -2.05 0.01 0.00 2.01 0.00 0.00 34.83 34.66 3gqz s MET 338 CO 0.04 -0.46 -0.20 -0.51 -0.01 0.00 0.00 175.02 173.88 3gqz s LEU 339 N 1.63 2.24 0.06 -0.03 1.43 -0.05 -1.44 118.68 122.52 3gqz s LEU 339 Ca 0.00 -0.55 0.04 0.00 -1.03 0.00 0.00 54.13 52.59 3gqz s LEU 339 Cb -0.16 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 3gqz s LEU 339 CO -0.08 0.09 -0.12 0.00 0.23 0.00 0.00 176.35 176.47 3gqz s ALA 340 N 0.79 0.96 -0.60 4.21 0.00 -0.42 -0.93 121.76 125.77 3gqz s ALA 340 Ca -0.07 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 3gqz s ALA 340 Cb -0.16 -0.05 0.46 0.00 0.00 0.00 0.00 23.12 23.37 3gqz s ALA 340 CO -0.01 0.10 2.01 0.27 0.00 0.00 0.00 175.76 178.14 3gqz n ASN 341 N 1.38 6.99 -3.80 0.00 6.94 -1.00 -1.75 115.26 124.02 3gqz n ASN 341 Ca -0.22 -3.68 -0.12 0.00 -0.02 0.00 0.00 54.58 50.54 3gqz n ASN 341 Cb 0.54 -0.96 -0.11 0.00 -2.36 0.00 0.00 39.78 36.89 3gqz n ASN 341 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 3gqz s LYS 342 N -3.54 0.30 -0.68 -3.83 2.20 -0.95 -1.55 119.74 111.70 3gqz s LYS 342 Ca 0.60 0.20 -0.24 0.00 -0.36 0.00 0.00 55.97 56.17 3gqz s LYS 342 Cb 0.48 0.14 0.06 0.00 -1.51 0.00 0.00 37.83 37.00 3gqz s LYS 342 CO 0.01 -0.05 1.05 1.21 -0.36 0.00 0.00 175.35 177.21 3gqz s ASN 343 N -0.13 6.18 0.30 1.43 2.47 -1.25 -2.40 114.94 121.53 3gqz s ASN 343 Ca -0.02 -0.79 0.09 0.00 0.42 0.00 0.00 52.86 52.55 3gqz s ASN 343 Cb -0.02 -2.46 -0.04 0.00 -1.45 0.00 0.00 41.25 37.27 3gqz s ASN 343 CO 0.01 -1.54 0.09 -0.72 -3.72 0.00 0.00 177.10 171.21 3gqz s TYR 344 N 4.54 2.74 0.33 0.43 -0.85 -1.26 -4.96 117.35 118.32 3gqz s TYR 344 Ca 0.26 -0.29 -0.29 0.00 -0.52 0.00 0.00 57.07 56.24 3gqz s TYR 344 Cb -0.14 -1.43 -0.12 0.00 0.38 0.00 0.00 41.96 40.65 3gqz s TYR 344 CO 0.12 0.48 1.38 -2.30 -1.52 0.00 0.00 175.55 173.70 3gqz n PRO 345 N -1.04 2.28 -0.16 -3.49 -0.02 -1.26 -4.91 135.00 126.39 3gqz n PRO 345 Ca -0.05 0.80 -0.02 0.00 -2.02 0.00 0.00 63.50 62.21 3gqz n PRO 345 Cb 0.60 -2.44 0.06 0.00 -0.02 0.00 0.00 33.50 31.70 3gqz n PRO 345 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3gqz h ASN 346 N 3.09 -0.21 -0.57 2.55 2.35 -1.97 -2.67 115.58 118.15 3gqz h ASN 346 Ca -0.47 0.12 0.10 0.00 -0.55 0.00 0.00 56.30 55.50 3gqz h ASN 346 Cb 1.27 0.21 -0.03 0.00 0.05 0.00 0.00 38.32 39.81 3gqz h ASN 346 CO 0.66 -0.07 0.39 -0.65 -1.65 0.00 0.00 177.43 176.11 3gqz h PRO 347 N 0.12 0.33 -0.47 0.81 0.11 -1.81 -0.97 132.00 130.11 3gqz h PRO 347 Ca 0.25 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.25 3gqz h PRO 347 Cb 0.37 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.39 3gqz h PRO 347 CO -0.41 0.22 -0.06 0.00 -0.21 0.00 0.00 178.00 177.54 3gqz h ALA 348 N 1.71 1.00 -0.10 -0.75 0.00 -1.83 -0.99 119.26 118.30 3gqz h ALA 348 Ca 0.27 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3gqz h ALA 348 Cb 0.59 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3gqz h ALA 348 CO -0.07 0.60 -0.00 0.00 0.00 0.00 0.00 179.25 179.79 3gqz h ARG 349 N 0.76 0.18 -0.52 0.00 3.08 -1.19 -2.65 114.38 114.04 3gqz h ARG 349 Ca 0.14 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 3gqz h ARG 349 Cb 0.55 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 3gqz h ARG 349 CO 0.03 0.44 0.01 0.28 -1.07 0.00 0.00 179.97 179.66 3gqz h VAL 350 N -0.10 1.26 -0.45 2.04 2.07 -1.31 -1.59 116.25 118.18 3gqz h VAL 350 Ca 0.03 -1.08 0.04 0.00 0.82 0.00 0.00 66.70 66.51 3gqz h VAL 350 Cb 0.36 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 3gqz h VAL 350 CO 0.01 0.38 0.22 -0.78 0.02 0.00 0.00 177.57 177.42 3gqz h ASP 351 N 0.78 0.31 -0.17 0.57 1.82 -1.21 0.21 116.42 118.73 3gqz h ASP 351 Ca 0.15 0.03 -0.02 0.00 -0.39 0.00 0.00 57.03 56.79 3gqz h ASP 351 Cb 0.51 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.49 3gqz h ASP 351 CO 0.03 0.22 0.03 0.00 -1.61 0.00 0.00 179.24 177.91 3gqz h ALA 352 N 1.24 0.22 -0.70 -0.78 0.00 -1.33 -2.02 119.26 115.90 3gqz h ALA 352 Ca 0.20 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3gqz h ALA 352 Cb 0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3gqz h ALA 352 CO -0.14 -0.12 0.44 0.00 0.00 0.00 0.00 179.25 179.43 3gqz h ALA 353 N 0.83 0.91 0.52 0.00 0.00 -1.10 -2.29 119.26 118.12 3gqz h ALA 353 Ca 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3gqz h ALA 353 Cb 0.30 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3gqz h ALA 353 CO 0.00 0.21 -0.34 2.35 0.00 0.00 0.00 179.25 181.48 3gqz h TRP 354 N 0.86 -0.89 -0.81 0.00 7.01 -0.86 -0.76 115.95 120.50 3gqz h TRP 354 Ca 0.28 -0.01 0.19 0.00 2.11 0.00 0.00 58.89 61.46 3gqz h TRP 354 Cb 0.01 0.32 -0.12 0.00 -2.10 0.00 0.00 29.16 27.28 3gqz h TRP 354 CO -0.04 -0.51 0.24 1.96 -2.79 0.00 0.00 178.44 177.30 3gqz h GLN 355 N -0.82 0.29 0.24 2.65 1.08 -1.19 0.28 115.11 117.64 3gqz h GLN 355 Ca -0.06 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 3gqz h GLN 355 Cb 0.67 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 3gqz h GLN 355 CO 0.05 0.19 -0.11 0.82 -0.95 0.00 0.00 178.83 178.83 3gqz h ILE 356 N 0.30 0.79 -0.29 2.54 2.04 -1.21 -2.55 117.51 119.13 3gqz h ILE 356 Ca 0.48 -0.78 -0.08 0.00 1.00 0.00 0.00 64.86 65.47 3gqz h ILE 356 Cb 0.86 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 3gqz h ILE 356 CO -0.54 0.16 -0.17 -0.07 0.00 0.00 0.00 178.15 177.53 3gqz h LEU 357 N -0.75 0.51 -0.67 1.44 3.38 -0.74 -2.73 115.31 115.74 3gqz h LEU 357 Ca -0.03 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 3gqz h LEU 357 Cb 0.50 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3gqz h LEU 357 CO 0.05 0.70 0.04 -1.13 0.09 0.00 0.00 178.44 178.19 3gqz h ASN 358 N 0.47 1.04 0.51 -0.43 -1.24 -0.51 -1.71 115.58 113.71 3gqz h ASN 358 Ca 0.08 -0.28 -0.07 0.00 0.71 0.00 0.00 56.30 56.75 3gqz h ASN 358 Cb 0.57 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 39.33 3gqz h ASN 358 CO 0.04 1.07 -0.32 0.00 -1.29 0.00 0.00 177.43 176.93 3gqz h ALA 359 N 1.04 1.25 0.00 1.57 0.00 -1.21 -3.25 119.26 118.65 3gqz h ALA 359 Ca 0.18 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3gqz h ALA 359 Cb 0.51 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3gqz h ALA 359 CO 0.02 0.40 -1.62 1.28 0.00 0.00 0.00 179.25 179.33 3gqz n LEU 360 N -3.83 0.48 0.00 0.00 4.77 -1.05 -5.11 117.00 112.27 3gqz n LEU 360 Ca -0.01 0.20 0.11 0.00 -0.03 0.00 0.00 56.01 56.28 3gqz n LEU 360 Cb 0.40 0.08 0.66 0.00 -2.33 0.00 0.00 43.42 42.22 3gqz n LEU 360 CO 0.36 0.07 0.84 0.00 -1.33 0.00 0.00 177.39 177.33