#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gx3 n MET 1 N 0.00 -0.11 -3.63 1.61 3.85 -1.26 -5.02 117.12 112.56 1gx3 n MET 1 Ca 0.00 0.08 -0.05 0.00 -1.00 0.00 0.00 57.70 56.72 1gx3 n MET 1 Cb 0.00 -0.14 -0.06 0.00 -1.05 0.00 0.00 33.22 31.97 1gx3 n MET 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1gx3 s ALA 2 N -1.23 -2.09 0.13 3.17 0.00 -1.26 -5.13 121.76 115.35 1gx3 s ALA 2 Ca 0.00 1.76 -0.31 0.00 0.00 0.00 0.00 51.96 53.41 1gx3 s ALA 2 Cb 0.00 -1.44 -0.10 0.00 0.00 0.00 0.00 23.12 21.58 1gx3 s ALA 2 CO 0.00 -0.20 1.70 1.41 0.00 0.00 0.00 175.76 178.67 1gx3 s MET 3 N -0.42 4.17 -1.32 0.00 1.75 -1.26 -4.87 119.30 117.35 1gx3 s MET 3 Ca 0.05 2.47 -0.15 0.00 -1.25 0.00 0.00 55.69 56.81 1gx3 s MET 3 Cb -0.03 -3.42 -0.01 0.00 2.84 0.00 0.00 34.83 34.20 1gx3 s MET 3 CO -0.08 -0.75 2.23 -3.47 -0.65 0.00 0.00 175.02 172.30 1gx3 n ASP 4 N 5.03 4.08 -0.25 1.11 2.03 -1.26 -4.76 116.55 122.53 1gx3 n ASP 4 Ca 0.16 -2.77 -0.04 0.00 0.52 0.00 0.00 54.79 52.66 1gx3 n ASP 4 Cb 0.38 -1.52 0.07 0.00 -0.72 0.00 0.00 41.12 39.33 1gx3 n ASP 4 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1gx3 h LEU 5 N 10.43 0.78 -1.19 -2.67 5.85 -2.00 -2.33 115.31 124.18 1gx3 h LEU 5 Ca 0.57 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.28 1gx3 h LEU 5 Cb 0.60 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 1gx3 h LEU 5 CO 1.88 0.55 0.55 1.23 -0.34 0.00 0.00 178.44 182.32 1gx3 h GLY 6 N 0.92 1.17 1.39 3.75 0.00 -1.95 -1.32 103.07 107.03 1gx3 h GLY 6 Ca 0.27 -0.43 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 1gx3 h GLY 6 CO -0.08 0.42 -0.12 -1.33 0.00 0.00 0.00 176.54 175.44 1gx3 h GLY 7 N 1.12 0.79 0.96 4.60 0.00 -1.84 0.45 103.07 109.16 1gx3 h GLY 7 Ca 0.31 -0.59 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 1gx3 h GLY 7 CO -0.07 0.54 -0.10 -1.82 0.00 0.00 0.00 176.54 175.10 1gx3 h TYR 8 N 0.66 0.83 -0.80 5.60 3.20 -1.10 -1.14 116.97 124.23 1gx3 h TYR 8 Ca 0.11 -0.18 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 1gx3 h TYR 8 Cb 0.58 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.61 1gx3 h TYR 8 CO 0.03 0.88 0.48 -0.07 -1.64 0.00 0.00 178.16 177.84 1gx3 h LEU 9 N 0.54 0.96 -0.15 2.82 3.38 -0.93 -2.00 115.31 119.93 1gx3 h LEU 9 Ca 0.09 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1gx3 h LEU 9 Cb 0.62 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1gx3 h LEU 9 CO 0.04 0.75 -0.03 0.74 0.09 0.00 0.00 178.44 180.03 1gx3 h THR 10 N 1.09 0.86 -0.87 0.22 2.02 -0.78 0.04 112.91 115.48 1gx3 h THR 10 Ca 0.28 -0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.60 1gx3 h THR 10 Cb -0.03 0.85 -0.07 0.00 -1.74 0.00 0.00 68.15 67.16 1gx3 h THR 10 CO -0.05 0.00 0.57 -0.09 0.37 0.00 0.00 175.52 176.31 1gx3 h ARG 11 N 0.01 0.66 -0.64 6.66 9.65 -0.61 -2.06 114.38 128.05 1gx3 h ARG 11 Ca 0.07 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1gx3 h ARG 11 Cb 0.11 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.54 1gx3 h ARG 11 CO -0.15 0.43 0.00 0.44 2.80 0.00 0.00 179.97 183.50 1gx3 n ILE 12 N -4.55 1.68 -1.24 1.20 -5.35 -0.81 -4.84 119.36 105.46 1gx3 n ILE 12 Ca 0.17 -1.04 -0.01 0.00 -0.27 0.00 0.00 62.75 61.60 1gx3 n ILE 12 Cb 0.46 0.03 -0.00 0.00 -1.74 0.00 0.00 39.64 38.39 1gx3 n ILE 12 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1gx3 n GLY 13 N 0.99 0.42 3.73 3.28 0.00 -0.77 -4.59 105.19 108.24 1gx3 n GLY 13 Ca 0.23 -1.01 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 1gx3 n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gx3 s LEU 14 N -0.20 3.11 0.36 0.99 1.43 -0.05 -5.01 118.68 119.31 1gx3 s LEU 14 Ca 0.00 -1.05 -0.06 0.00 -1.03 0.00 0.00 54.13 51.99 1gx3 s LEU 14 Cb 0.00 -1.44 0.02 0.00 0.03 0.00 0.00 46.19 44.79 1gx3 s LEU 14 CO 0.00 -0.49 0.56 1.51 0.23 0.00 0.00 176.35 178.16 1gx3 s ASP 15 N -3.88 0.72 0.54 2.29 -4.77 -1.26 -3.43 116.67 106.89 1gx3 s ASP 15 Ca 0.40 -1.42 0.00 0.00 -3.30 0.00 0.00 52.55 48.23 1gx3 s ASP 15 Cb 0.03 0.72 0.00 0.00 -1.09 0.00 0.00 42.92 42.58 1gx3 s ASP 15 CO 0.22 -1.42 0.00 0.61 0.70 0.00 0.00 175.17 175.28 1gx3 n GLY 16 N -0.57 -1.38 2.89 2.12 0.00 -1.26 -4.83 105.19 102.17 1gx3 n GLY 16 Ca -0.02 -1.18 -0.28 0.00 0.00 0.00 0.00 46.02 44.55 1gx3 n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gx3 s ARG 17 N 0.00 1.46 0.54 1.61 1.81 -1.26 -5.00 118.95 118.10 1gx3 s ARG 17 Ca 0.00 -0.45 -0.03 0.00 -1.72 0.00 0.00 55.73 53.53 1gx3 s ARG 17 Cb 0.00 -1.90 0.00 0.00 -0.45 0.00 0.00 34.95 32.61 1gx3 s ARG 17 CO 0.00 -0.39 0.81 -1.25 -0.68 0.00 0.00 175.30 173.79 1gx3 s PRO 18 N 1.65 2.96 0.55 3.54 0.04 -1.26 -5.06 135.00 137.42 1gx3 s PRO 18 Ca 0.02 -0.21 -0.19 0.00 0.04 0.00 0.00 61.00 60.65 1gx3 s PRO 18 Cb -0.15 -2.39 -0.06 0.00 0.04 0.00 0.00 34.50 31.95 1gx3 s PRO 18 CO -0.08 -0.54 1.13 1.03 0.04 0.00 0.00 177.00 178.59 1gx3 s ARG 19 N -4.82 3.33 -1.29 4.56 0.52 -1.26 -4.93 118.95 115.06 1gx3 s ARG 19 Ca 0.52 1.62 -0.15 0.00 -0.52 0.00 0.00 55.73 57.20 1gx3 s ARG 19 Cb -0.10 -2.00 0.12 0.00 0.52 0.00 0.00 34.95 33.48 1gx3 s ARG 19 CO 0.42 -0.87 1.72 -0.35 0.02 0.00 0.00 175.30 176.24 1gx3 n PRO 20 N -1.33 3.28 -4.16 3.54 -0.04 -1.26 -4.60 135.00 130.43 1gx3 n PRO 20 Ca 0.12 -3.43 -0.22 0.00 -0.04 0.00 0.00 63.50 59.93 1gx3 n PRO 20 Cb 0.51 -3.22 -0.07 0.00 -0.04 0.00 0.00 33.50 30.68 1gx3 n PRO 20 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1gx3 n ASP 21 N 6.40 0.68 -0.11 3.54 5.68 -1.26 -3.92 116.55 127.55 1gx3 n ASP 21 Ca 0.44 -3.00 -0.10 0.00 -0.50 0.00 0.00 54.79 51.63 1gx3 n ASP 21 Cb 0.42 1.11 -0.02 0.00 -1.14 0.00 0.00 41.12 41.49 1gx3 n ASP 21 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1gx3 h LEU 22 N 0.00 0.50 -0.92 -2.12 5.85 -1.91 -1.70 115.31 115.00 1gx3 h LEU 22 Ca -0.27 -0.22 0.16 0.00 0.84 0.00 0.00 57.88 58.39 1gx3 h LEU 22 Cb 1.11 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 41.91 1gx3 h LEU 22 CO 0.42 0.59 0.52 1.23 -0.34 0.00 0.00 178.44 180.86 1gx3 h GLY 23 N 0.38 1.56 0.97 3.75 0.00 -1.97 -1.68 103.07 106.08 1gx3 h GLY 23 Ca 0.10 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 1gx3 h GLY 23 CO -0.00 -0.03 0.18 -0.84 0.00 0.00 0.00 176.54 175.85 1gx3 h THR 24 N 0.72 1.23 -0.60 4.70 2.02 -1.59 -2.10 112.91 117.28 1gx3 h THR 24 Ca 0.51 -0.74 0.05 0.00 0.77 0.00 0.00 66.41 67.01 1gx3 h THR 24 Cb 0.72 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.83 1gx3 h THR 24 CO -0.36 0.27 0.32 0.25 0.37 0.00 0.00 175.52 176.37 1gx3 h LEU 25 N 0.69 0.47 -0.67 2.58 5.85 -0.57 -0.34 115.31 123.31 1gx3 h LEU 25 Ca 0.17 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.93 1gx3 h LEU 25 Cb 0.25 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1gx3 h LEU 25 CO -0.01 0.31 0.44 0.45 -0.34 0.00 0.00 178.44 179.29 1gx3 h HIS 26 N 0.60 0.84 -0.40 1.25 3.86 -1.18 -1.96 115.15 118.16 1gx3 h HIS 26 Ca 0.27 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.44 1gx3 h HIS 26 Cb 0.17 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 1gx3 h HIS 26 CO -0.09 0.53 -0.00 0.00 0.86 0.00 0.00 177.93 179.22 1gx3 h ALA 27 N 1.25 0.54 -0.45 2.45 0.00 -0.83 -2.16 119.26 120.05 1gx3 h ALA 27 Ca 0.25 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1gx3 h ALA 27 Cb -0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1gx3 h ALA 27 CO -0.06 0.31 0.06 0.82 0.00 0.00 0.00 179.25 180.38 1gx3 h ILE 28 N 0.53 1.25 -0.26 0.00 2.04 -0.97 -2.00 117.51 118.10 1gx3 h ILE 28 Ca 0.11 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.04 1gx3 h ILE 28 Cb 0.48 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1gx3 h ILE 28 CO 0.02 0.33 0.17 0.58 0.00 0.00 0.00 178.15 179.25 1gx3 h VAL 29 N 0.62 1.07 -0.68 1.67 2.07 -1.23 0.57 116.25 120.34 1gx3 h VAL 29 Ca 0.14 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1gx3 h VAL 29 Cb 0.41 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1gx3 h VAL 29 CO 0.01 0.07 0.34 0.00 0.02 0.00 0.00 177.57 178.01 1gx3 h ALA 30 N 1.09 0.88 -0.27 1.67 0.00 -1.33 0.30 119.26 121.59 1gx3 h ALA 30 Ca 0.10 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1gx3 h ALA 30 Cb -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1gx3 h ALA 30 CO -0.02 0.43 -0.13 0.00 0.00 0.00 0.00 179.25 179.53 1gx3 h ALA 31 N 1.16 0.39 -0.26 0.00 0.00 -1.05 -2.53 119.26 116.97 1gx3 h ALA 31 Ca 0.24 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1gx3 h ALA 31 Cb 0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1gx3 h ALA 31 CO -0.03 0.26 0.12 1.25 0.00 0.00 0.00 179.25 180.85 1gx3 h HIS 32 N 0.31 0.22 -0.63 0.00 6.17 -0.62 -2.22 115.15 118.37 1gx3 h HIS 32 Ca 0.06 0.01 0.12 0.00 0.71 0.00 0.00 60.37 61.27 1gx3 h HIS 32 Cb 0.65 -0.06 -0.09 0.00 2.52 0.00 0.00 27.41 30.43 1gx3 h HIS 32 CO 0.06 0.12 0.15 -0.91 0.71 0.00 0.00 177.93 178.06 1gx3 h ASN 33 N 0.25 0.02 0.68 3.26 2.35 -0.75 -2.11 115.58 119.28 1gx3 h ASN 33 Ca 0.11 0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1gx3 h ASN 33 Cb 0.05 0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1gx3 h ASN 33 CO -0.09 0.01 -0.47 -2.11 -1.65 0.00 0.00 177.43 173.13 1gx3 n ARG 34 N -5.12 0.09 -0.10 0.81 1.85 -0.97 -2.51 116.66 110.70 1gx3 n ARG 34 Ca 0.10 0.03 -0.13 0.00 -1.00 0.00 0.00 57.85 56.85 1gx3 n ARG 34 Cb 0.35 -1.56 -0.11 0.00 -1.05 0.00 0.00 32.46 30.09 1gx3 n ARG 34 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1gx3 n SER 35 N -1.68 1.86 -4.13 2.89 7.64 -0.85 -4.84 113.62 114.52 1gx3 n SER 35 Ca 0.05 -0.08 -0.33 0.00 1.01 0.00 0.00 58.87 59.52 1gx3 n SER 35 Cb 0.37 0.02 -0.15 0.00 -1.01 0.00 0.00 64.21 63.44 1gx3 n SER 35 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1gx3 s ILE 36 N -2.43 2.28 0.52 0.44 1.01 -0.88 -4.96 121.20 117.18 1gx3 s ILE 36 Ca -0.23 -1.13 -0.18 0.00 0.00 0.00 0.00 60.65 59.11 1gx3 s ILE 36 Cb 0.07 -2.10 -0.07 0.00 0.01 0.00 0.00 42.46 40.37 1gx3 s ILE 36 CO 0.56 0.32 1.02 -2.16 0.00 0.00 0.00 174.94 174.68 1gx3 s PRO 37 N 1.25 3.73 0.18 2.79 0.04 -1.26 -4.79 135.00 136.93 1gx3 s PRO 37 Ca 0.00 1.17 -0.30 0.00 0.04 0.00 0.00 61.00 61.91 1gx3 s PRO 37 Cb -0.16 -2.09 -0.08 0.00 0.04 0.00 0.00 34.50 32.21 1gx3 s PRO 37 CO -0.09 -0.47 1.22 0.12 0.04 0.00 0.00 177.00 177.82 1gx3 s PHE 38 N -2.34 3.39 -0.17 0.56 5.36 0.23 -2.60 117.98 122.42 1gx3 s PHE 38 Ca 0.63 1.38 -0.28 0.00 -0.96 0.00 0.00 56.93 57.70 1gx3 s PHE 38 Cb -0.14 -3.46 0.09 0.00 -0.34 0.00 0.00 43.02 39.17 1gx3 s PHE 38 CO 0.28 -1.34 0.80 -1.83 -1.46 0.00 0.00 175.22 171.68 1gx3 s GLU 39 N -0.16 0.83 -0.23 10.12 4.04 -0.03 -0.73 118.70 132.54 1gx3 s GLU 39 Ca 0.54 0.50 0.10 0.00 0.04 0.00 0.00 54.97 56.15 1gx3 s GLU 39 Cb -0.33 0.40 0.43 0.00 0.02 0.00 0.00 34.13 34.65 1gx3 s GLU 39 CO 0.37 -0.20 1.22 0.27 -1.84 0.00 0.00 175.26 175.08 1gx3 n ASN 40 N 1.58 2.58 -0.18 0.83 6.94 -1.07 -2.80 115.26 123.15 1gx3 n ASN 40 Ca -0.15 -3.87 0.07 0.00 -0.02 0.00 0.00 54.58 50.61 1gx3 n ASN 40 Cb 0.56 -0.49 0.36 0.00 -2.36 0.00 0.00 39.78 37.86 1gx3 n ASN 40 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 1gx3 h LEU 41 N 1.31 0.65 0.65 -4.53 3.38 -1.93 -1.68 115.31 113.15 1gx3 h LEU 41 Ca 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1gx3 h LEU 41 Cb 1.16 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.78 1gx3 h LEU 41 CO 0.21 0.41 -0.31 0.44 0.09 0.00 0.00 178.44 179.29 1gx3 h ASP 42 N 0.73 -0.74 -0.33 -0.43 5.19 -1.89 -1.38 116.42 117.57 1gx3 h ASP 42 Ca 0.31 0.03 -0.01 0.00 -0.62 0.00 0.00 57.03 56.74 1gx3 h ASP 42 Cb 0.29 0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.97 1gx3 h ASP 42 CO -0.11 -0.50 0.17 1.55 -3.12 0.00 0.00 179.24 177.23 1gx3 h PRO 43 N -0.92 0.51 -0.89 3.56 0.13 -1.36 -0.08 132.00 132.95 1gx3 h PRO 43 Ca -0.09 -0.05 0.10 0.00 -0.87 0.00 0.00 66.00 65.08 1gx3 h PRO 43 Cb 0.67 -0.10 -0.07 0.00 0.13 0.00 0.00 31.00 31.62 1gx3 h PRO 43 CO 0.15 0.41 0.54 1.25 -0.23 0.00 0.00 178.00 180.11 1gx3 h LEU 44 N 0.51 0.79 -1.18 1.56 5.85 -1.20 -2.01 115.31 119.63 1gx3 h LEU 44 Ca 0.13 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1gx3 h LEU 44 Cb 0.07 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.98 1gx3 h LEU 44 CO -0.02 0.45 0.00 0.18 -0.34 0.00 0.00 178.44 178.71 1gx3 n LEU 45 N -4.68 1.73 0.00 2.25 4.77 -0.53 -4.92 117.00 115.62 1gx3 n LEU 45 Ca 0.15 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 1gx3 n LEU 45 Cb 0.28 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1gx3 n LEU 45 CO 0.28 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 1gx3 n GLY 46 N 1.04 0.64 3.42 -0.72 0.00 -0.75 -5.02 105.19 103.79 1gx3 n GLY 46 Ca 0.12 -0.13 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 1gx3 n GLY 46 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gx3 s ILE 47 N -2.00 5.24 0.72 -0.61 1.01 -0.11 -4.99 121.20 120.46 1gx3 s ILE 47 Ca 0.00 -0.87 -0.16 0.00 0.00 0.00 0.00 60.65 59.62 1gx3 s ILE 47 Cb 0.00 -4.04 0.02 0.00 0.01 0.00 0.00 42.46 38.45 1gx3 s ILE 47 CO 0.00 -0.46 1.15 -2.65 0.00 0.00 0.00 174.94 172.98 1gx3 n PRO 48 N 5.20 0.63 -3.46 2.79 -0.02 -1.26 -2.53 135.00 136.35 1gx3 n PRO 48 Ca -0.12 0.28 -0.43 0.00 -2.02 0.00 0.00 63.50 61.21 1gx3 n PRO 48 Cb 0.45 -2.39 -0.06 0.00 -0.02 0.00 0.00 33.50 31.49 1gx3 n PRO 48 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1gx3 s VAL 49 N -1.75 4.83 -0.07 -1.45 1.01 -1.26 -4.89 120.40 116.83 1gx3 s VAL 49 Ca 0.77 -2.29 0.06 0.00 0.00 0.00 0.00 61.98 60.52 1gx3 s VAL 49 Cb -0.34 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 31.88 1gx3 s VAL 49 CO 0.47 -0.92 0.03 0.00 0.00 0.00 0.00 175.10 174.68 1gx3 n ALA 50 N 4.25 1.83 -3.39 5.51 0.00 -1.26 -3.77 120.51 123.68 1gx3 n ALA 50 Ca 0.04 -0.46 -0.36 0.00 0.00 0.00 0.00 53.44 52.65 1gx3 n ALA 50 Cb 0.43 0.09 -0.13 0.00 0.00 0.00 0.00 19.45 19.84 1gx3 n ALA 50 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1gx3 s ASP 51 N -3.86 4.87 -0.22 0.00 -1.08 -1.26 -4.81 116.67 110.30 1gx3 s ASP 51 Ca -0.03 -0.84 0.14 0.00 -0.52 0.00 0.00 52.55 51.30 1gx3 s ASP 51 Cb 0.02 -1.80 0.58 0.00 -1.46 0.00 0.00 42.92 40.27 1gx3 s ASP 51 CO 0.29 -0.19 1.52 0.18 0.52 0.00 0.00 175.17 177.49 1gx3 n LEU 52 N 4.78 4.42 -4.73 -1.34 4.77 -1.26 -4.61 117.00 119.03 1gx3 n LEU 52 Ca -0.15 -3.17 -0.33 0.00 -0.03 0.00 0.00 56.01 52.34 1gx3 n LEU 52 Cb 0.47 -0.60 0.09 0.00 -2.33 0.00 0.00 43.42 41.05 1gx3 n LEU 52 CO 0.30 0.78 0.75 -0.94 -1.33 0.00 0.00 177.39 176.95 1gx3 s SER 53 N -1.80 4.26 0.21 -1.43 1.04 -1.26 -4.87 113.70 109.85 1gx3 s SER 53 Ca 0.46 2.17 -0.10 0.00 0.48 0.00 0.00 55.95 58.95 1gx3 s SER 53 Cb 0.37 -2.57 0.16 0.00 0.10 0.00 0.00 66.02 64.09 1gx3 s SER 53 CO 0.09 -2.21 1.88 0.00 0.98 0.00 0.00 173.24 173.98 1gx3 h ALA 54 N -0.57 0.96 -0.39 5.32 0.00 -1.94 -1.36 119.26 121.27 1gx3 h ALA 54 Ca -0.46 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.43 1gx3 h ALA 54 Cb 1.27 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1gx3 h ALA 54 CO 0.50 0.36 0.18 0.93 0.00 0.00 0.00 179.25 181.22 1gx3 h GLU 55 N 1.01 0.36 -0.26 0.00 3.07 -1.98 -0.54 114.58 116.24 1gx3 h GLU 55 Ca 0.28 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 59.09 1gx3 h GLU 55 Cb -0.10 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.72 1gx3 h GLU 55 CO -0.07 0.24 0.05 0.00 -1.40 0.00 0.00 179.01 177.83 1gx3 h ALA 56 N 1.22 0.35 -0.45 3.43 0.00 -1.80 -1.66 119.26 120.34 1gx3 h ALA 56 Ca 0.17 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1gx3 h ALA 56 Cb 0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1gx3 h ALA 56 CO -0.13 0.02 -0.04 -0.07 0.00 0.00 0.00 179.25 179.03 1gx3 h LEU 57 N 0.25 0.81 -0.81 0.00 3.38 -1.07 -2.29 115.31 115.58 1gx3 h LEU 57 Ca 0.08 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 1gx3 h LEU 57 Cb 0.32 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1gx3 h LEU 57 CO 0.00 0.95 0.40 -0.26 0.09 0.00 0.00 178.44 179.62 1gx3 h PHE 58 N 0.66 1.16 -0.65 1.13 -1.00 -1.14 -1.14 116.94 115.96 1gx3 h PHE 58 Ca 0.12 -0.05 -0.00 0.00 2.81 0.00 0.00 57.97 60.84 1gx3 h PHE 58 Cb 0.56 -0.36 -0.03 0.00 3.61 0.00 0.00 35.95 39.72 1gx3 h PHE 58 CO 0.04 0.84 0.39 0.00 -1.61 0.00 0.00 178.31 177.97 1gx3 h ALA 59 N 1.21 0.83 0.00 2.45 0.00 -1.18 -1.03 119.26 121.54 1gx3 h ALA 59 Ca 0.28 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1gx3 h ALA 59 Cb 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1gx3 h ALA 59 CO -0.04 0.31 -0.28 -0.22 0.00 0.00 0.00 179.25 179.03 1gx3 h LYS 60 N 0.89 0.00 0.00 0.00 3.64 -1.30 -2.90 116.57 116.90 1gx3 h LYS 60 Ca 0.23 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.49 1gx3 h LYS 60 Cb -0.02 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1gx3 h LYS 60 CO -0.04 0.61 -0.59 -0.07 -2.27 0.00 0.00 179.45 177.09 1gx3 h LEU 61 N -1.00 0.00 0.00 5.20 4.07 -1.30 -3.18 115.31 119.10 1gx3 h LEU 61 Ca -0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.90 1gx3 h LEU 61 Cb 0.73 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.47 1gx3 h LEU 61 CO -0.04 0.59 -0.88 0.52 -1.08 0.00 0.00 178.44 177.55 1gx3 n VAL 62 N -3.26 1.46 0.29 1.22 0.31 -0.66 -4.48 118.33 113.21 1gx3 n VAL 62 Ca 0.02 0.17 0.16 0.00 -0.01 0.00 0.00 64.34 64.68 1gx3 n VAL 62 Cb 0.77 -2.26 0.57 0.00 -0.91 0.00 0.00 33.84 32.01 1gx3 n VAL 62 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1gx3 h ASP 63 N -0.88 0.00 -0.02 4.52 3.32 -1.24 -3.34 116.42 118.78 1gx3 h ASP 63 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1gx3 h ASP 63 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 1gx3 h ASP 63 CO 0.00 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 178.06 1gx3 n ARG 64 N -2.99 0.03 -3.39 3.56 1.74 -1.10 -5.01 116.66 109.51 1gx3 n ARG 64 Ca 0.01 -0.88 -0.19 0.00 -0.77 0.00 0.00 57.85 56.03 1gx3 n ARG 64 Cb 0.34 -1.08 0.07 0.00 -1.02 0.00 0.00 32.46 30.77 1gx3 n ARG 64 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1gx3 n ARG 65 N 0.18 -6.55 -4.41 5.56 0.63 -1.24 -4.71 116.66 106.12 1gx3 n ARG 65 Ca 0.03 0.70 -0.25 0.00 -0.92 0.00 0.00 57.85 57.41 1gx3 n ARG 65 Cb 0.13 -5.36 -0.10 0.00 0.45 0.00 0.00 32.46 27.59 1gx3 n ARG 65 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1gx3 s ARG 66 N -5.94 1.78 0.00 -0.14 1.81 -1.21 -1.99 118.95 113.27 1gx3 s ARG 66 Ca 0.41 -1.61 0.00 0.00 -1.72 0.00 0.00 55.73 52.81 1gx3 s ARG 66 Cb -0.18 -1.89 0.00 0.00 -0.45 0.00 0.00 34.95 32.43 1gx3 s ARG 66 CO 0.62 0.36 0.00 0.41 -0.68 0.00 0.00 175.30 176.01 1gx3 n GLY 67 N -0.41 2.89 3.01 -3.53 0.00 -1.26 -4.37 105.19 101.52 1gx3 n GLY 67 Ca -0.07 -2.04 -0.02 0.00 0.00 0.00 0.00 46.02 43.88 1gx3 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gx3 n GLY 68 N 5.00 0.76 0.00 -0.02 0.00 -1.07 -4.76 105.19 105.10 1gx3 n GLY 68 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1gx3 n GLY 68 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1gx3 n TYR 69 N -0.56 -2.31 -0.11 1.61 -0.00 -1.12 -0.85 117.16 113.82 1gx3 n TYR 69 Ca -0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 57.83 1gx3 n TYR 69 Cb 0.46 0.00 0.02 0.00 -0.00 0.00 0.00 39.34 39.81 1gx3 n TYR 69 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1gx3 h TYR 71 N 0.08 0.25 0.00 0.00 -1.99 -1.88 -1.34 116.97 112.09 1gx3 h TYR 71 Ca 0.18 -0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.91 1gx3 h TYR 71 Cb 0.25 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 38.90 1gx3 h TYR 71 CO -0.27 0.20 -0.00 0.93 -0.00 0.00 0.00 178.16 179.02 1gx3 h GLU 72 N 0.26 0.00 0.27 4.88 5.08 -1.70 -1.48 114.58 121.89 1gx3 h GLU 72 Ca 0.07 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1gx3 h GLU 72 Cb 0.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1gx3 h GLU 72 CO -0.01 0.87 -0.35 0.45 -1.00 0.00 0.00 179.01 178.98 1gx3 h HIS 73 N -0.87 -0.97 -0.15 4.33 3.86 -1.03 -0.50 115.15 119.82 1gx3 h HIS 73 Ca -0.00 0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.11 1gx3 h HIS 73 Cb 0.87 0.39 -0.01 0.00 1.06 0.00 0.00 27.41 29.72 1gx3 h HIS 73 CO 0.23 -0.44 -0.40 -0.91 0.86 0.00 0.00 177.93 177.27 1gx3 h ASN 74 N -0.64 0.35 0.06 2.45 2.35 -1.41 -0.98 115.58 117.76 1gx3 h ASN 74 Ca -0.03 -0.15 0.03 0.00 -0.55 0.00 0.00 56.30 55.60 1gx3 h ASN 74 Cb 0.57 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.80 1gx3 h ASN 74 CO -0.08 0.72 -0.30 1.23 -1.65 0.00 0.00 177.43 177.34 1gx3 h GLY 75 N 1.17 -0.53 0.79 2.83 0.00 -1.24 0.30 103.07 106.40 1gx3 h GLY 75 Ca 0.03 0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.71 1gx3 h GLY 75 CO 0.07 -0.23 -0.29 -2.00 0.00 0.00 0.00 176.54 174.08 1gx3 h LEU 76 N -0.49 -0.75 -1.18 3.11 5.85 -0.90 -2.01 115.31 118.95 1gx3 h LEU 76 Ca 0.05 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1gx3 h LEU 76 Cb 0.54 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.76 1gx3 h LEU 76 CO -0.22 -0.44 0.56 0.25 -0.34 0.00 0.00 178.44 178.25 1gx3 h LEU 77 N -0.68 0.94 -0.34 2.25 5.85 -1.17 -1.21 115.31 120.95 1gx3 h LEU 77 Ca -0.04 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.70 1gx3 h LEU 77 Cb 0.58 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1gx3 h LEU 77 CO 0.01 0.66 0.14 1.23 -0.34 0.00 0.00 178.44 180.14 1gx3 h GLY 78 N 1.10 0.44 0.97 3.75 0.00 -0.52 0.95 103.07 109.76 1gx3 h GLY 78 Ca 0.32 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.56 1gx3 h GLY 78 CO -0.08 0.06 0.08 -0.97 0.00 0.00 0.00 176.54 175.62 1gx3 h TYR 79 N 0.30 0.17 -0.31 5.60 0.99 -0.68 -1.74 116.97 121.29 1gx3 h TYR 79 Ca 0.15 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.90 1gx3 h TYR 79 Cb 0.09 -0.06 -0.03 0.00 1.00 0.00 0.00 36.73 37.74 1gx3 h TYR 79 CO -0.12 0.14 0.15 0.28 -0.00 0.00 0.00 178.16 178.61 1gx3 h VAL 80 N 0.15 0.97 -0.43 -2.88 2.07 -0.78 -1.59 116.25 113.76 1gx3 h VAL 80 Ca 0.05 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1gx3 h VAL 80 Cb 0.02 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1gx3 h VAL 80 CO -0.01 0.06 0.20 -0.07 0.02 0.00 0.00 177.57 177.77 1gx3 h LEU 81 N 0.31 0.56 -0.74 2.57 3.38 -0.76 -1.94 115.31 118.69 1gx3 h LEU 81 Ca 0.13 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1gx3 h LEU 81 Cb 0.06 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.62 1gx3 h LEU 81 CO -0.10 0.54 0.46 -0.33 0.09 0.00 0.00 178.44 179.10 1gx3 h GLU 82 N 0.55 0.86 -0.35 1.13 5.08 -1.11 -1.28 114.58 119.46 1gx3 h GLU 82 Ca 0.15 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1gx3 h GLU 82 Cb 0.13 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1gx3 h GLU 82 CO -0.02 0.57 0.16 1.49 -1.00 0.00 0.00 179.01 180.21 1gx3 h GLU 83 N 0.89 0.48 0.00 2.33 4.57 -0.78 -2.31 114.58 119.76 1gx3 h GLU 83 Ca 0.30 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 1gx3 h GLU 83 Cb 0.04 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1gx3 h GLU 83 CO -0.12 0.39 0.00 -0.07 -1.18 0.00 0.00 179.01 178.03 1gx3 h LEU 84 N 0.49 0.00 0.00 1.64 3.38 -0.93 -3.47 115.31 116.42 1gx3 h LEU 84 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1gx3 h LEU 84 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1gx3 h LEU 84 CO -0.02 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.12 1gx3 n GLY 85 N 1.05 0.89 3.83 0.83 0.00 -0.87 -4.37 105.19 106.56 1gx3 n GLY 85 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1gx3 n GLY 85 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1gx3 s PHE 86 N -2.00 3.33 -0.17 1.61 0.40 -0.52 -4.77 117.98 115.86 1gx3 s PHE 86 Ca 0.00 1.46 -0.07 0.00 -0.60 0.00 0.00 56.93 57.72 1gx3 s PHE 86 Cb 0.00 -2.85 -0.04 0.00 0.51 0.00 0.00 43.02 40.65 1gx3 s PHE 86 CO 0.00 -0.63 0.05 -2.00 0.70 0.00 0.00 175.22 173.34 1gx3 s GLU 87 N -4.22 3.88 -0.09 0.44 -6.30 -0.94 -4.01 118.70 107.46 1gx3 s GLU 87 Ca 0.60 -0.35 0.01 0.00 -2.50 0.00 0.00 54.97 52.73 1gx3 s GLU 87 Cb -0.12 -3.17 0.02 0.00 0.00 0.00 0.00 34.13 30.86 1gx3 s GLU 87 CO 0.36 0.32 -0.10 0.08 0.02 0.00 0.00 175.26 175.94 1gx3 s VAL 88 N 0.24 1.08 -0.08 3.70 1.01 -1.26 -0.55 120.40 124.53 1gx3 s VAL 88 Ca 0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 1gx3 s VAL 88 Cb -0.12 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 1gx3 s VAL 88 CO 0.01 0.36 0.01 -1.61 0.00 0.00 0.00 175.10 173.86 1gx3 s GLU 89 N 1.12 3.00 -0.20 2.72 2.02 -0.23 -4.98 118.70 122.15 1gx3 s GLU 89 Ca -0.06 -0.40 -0.15 0.00 0.02 0.00 0.00 54.97 54.38 1gx3 s GLU 89 Cb -0.14 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.23 1gx3 s GLU 89 CO -0.02 0.70 0.36 1.03 0.02 0.00 0.00 175.26 177.36 1gx3 s ARG 90 N -0.94 4.17 0.24 1.61 3.00 -1.26 -0.90 118.95 124.87 1gx3 s ARG 90 Ca 0.14 0.13 0.09 0.00 0.00 0.00 0.00 55.73 56.09 1gx3 s ARG 90 Cb -0.11 -3.53 -0.04 0.00 0.00 0.00 0.00 34.95 31.27 1gx3 s ARG 90 CO 0.03 -0.00 -0.04 -0.51 0.00 0.00 0.00 175.30 174.78 1gx3 s LEU 91 N 1.21 3.11 0.15 2.53 1.43 0.22 -0.42 118.68 126.91 1gx3 s LEU 91 Ca 0.17 -0.63 0.09 0.00 -1.03 0.00 0.00 54.13 52.73 1gx3 s LEU 91 Cb -0.14 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 1gx3 s LEU 91 CO 0.07 0.04 -0.19 -0.94 0.23 0.00 0.00 176.35 175.56 1gx3 s SER 92 N -3.39 2.68 0.08 2.29 1.04 -1.26 -1.44 113.70 113.70 1gx3 s SER 92 Ca 0.29 -0.82 -0.07 0.00 0.48 0.00 0.00 55.95 55.84 1gx3 s SER 92 Cb -0.07 -0.16 -0.01 0.00 0.10 0.00 0.00 66.02 65.88 1gx3 s SER 92 CO 0.18 -0.01 0.13 -0.83 0.98 0.00 0.00 173.24 173.70 1gx3 s GLY 93 N -2.49 0.22 -0.17 7.32 0.00 0.24 -3.69 107.32 108.75 1gx3 s GLY 93 Ca 0.14 -0.79 -0.03 0.00 0.00 0.00 0.00 44.72 44.03 1gx3 s GLY 93 CO 0.06 -0.95 -0.04 0.50 0.00 0.00 0.00 173.10 172.67 1gx3 s ARG 94 N -3.88 3.59 -0.11 2.90 0.52 0.41 -1.35 118.95 121.02 1gx3 s ARG 94 Ca 0.06 -0.55 -0.28 0.00 -0.52 0.00 0.00 55.73 54.44 1gx3 s ARG 94 Cb 0.06 -2.91 -0.02 0.00 0.52 0.00 0.00 34.95 32.60 1gx3 s ARG 94 CO -0.10 0.15 0.94 0.08 0.02 0.00 0.00 175.30 176.38 1gx3 s VAL 95 N 0.60 4.83 -0.34 3.52 1.01 -1.26 -0.94 120.40 127.82 1gx3 s VAL 95 Ca -0.03 1.89 0.03 0.00 0.00 0.00 0.00 61.98 63.88 1gx3 s VAL 95 Cb -0.14 -4.25 0.07 0.00 0.00 0.00 0.00 36.38 32.06 1gx3 s VAL 95 CO 0.03 0.04 0.91 1.33 0.00 0.00 0.00 175.10 177.40 1gx3 n VAL 96 N 4.51 0.65 -1.65 2.92 0.24 -0.47 -4.80 118.33 119.72 1gx3 n VAL 96 Ca 0.07 -0.82 -0.44 0.00 -2.04 0.00 0.00 64.34 61.10 1gx3 n VAL 96 Cb 0.49 0.70 -0.04 0.00 -1.47 0.00 0.00 33.84 33.53 1gx3 n VAL 96 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56 1gx3 n TRP 97 N -0.05 2.35 -1.57 6.34 -0.00 -0.94 -1.55 117.44 122.01 1gx3 n TRP 97 Ca 0.03 -0.24 -0.19 0.00 -0.00 0.00 0.00 57.50 57.10 1gx3 n TRP 97 Cb 0.23 -2.75 -0.08 0.00 -0.00 0.00 0.00 31.31 28.70 1gx3 n TRP 97 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 177.69 176.36 1gx3 n MET 98 N 7.59 -1.35 -2.93 5.87 2.81 -1.26 -4.96 117.12 122.89 1gx3 n MET 98 Ca 0.23 1.18 -0.40 0.00 -1.81 0.00 0.00 57.70 56.90 1gx3 n MET 98 Cb 0.38 -5.50 -0.06 0.00 -0.71 0.00 0.00 33.22 27.34 1gx3 n MET 98 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1gx3 s ARG 99 N -3.66 4.60 1.02 0.03 0.52 -0.60 -5.01 118.95 115.85 1gx3 s ARG 99 Ca 0.00 1.21 -0.15 0.00 -0.52 0.00 0.00 55.73 56.27 1gx3 s ARG 99 Cb 0.00 -3.30 0.07 0.00 0.52 0.00 0.00 34.95 32.25 1gx3 s ARG 99 CO 0.00 0.47 0.30 0.00 0.02 0.00 0.00 175.30 176.09 1gx3 n ALA 100 N 1.97 -3.14 -0.21 2.13 0.00 -1.26 -4.90 120.51 115.10 1gx3 n ALA 100 Ca -0.04 -0.88 -0.08 0.00 0.00 0.00 0.00 53.44 52.44 1gx3 n ALA 100 Cb 0.49 -1.71 0.02 0.00 0.00 0.00 0.00 19.45 18.25 1gx3 n ALA 100 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1gx3 h ASP 101 N -1.80 0.89 -0.41 0.00 3.58 -2.01 -2.95 116.42 113.73 1gx3 h ASP 101 Ca -0.48 -0.24 -0.24 0.00 0.42 0.00 0.00 57.03 56.49 1gx3 h ASP 101 Cb 1.31 -0.24 -0.15 0.00 1.72 0.00 0.00 39.33 41.97 1gx3 h ASP 101 CO 0.36 0.90 -0.18 -0.90 -2.88 0.00 0.00 179.24 176.54 1gx3 n ASP 102 N -4.36 3.02 -4.71 2.28 5.75 -1.26 -5.02 116.55 112.25 1gx3 n ASP 102 Ca 0.03 -3.81 -0.34 0.00 -0.01 0.00 0.00 54.79 50.66 1gx3 n ASP 102 Cb 0.25 -0.60 0.11 0.00 -1.03 0.00 0.00 41.12 39.84 1gx3 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1gx3 s ALA 103 N -3.34 1.99 0.68 2.12 0.00 -1.12 -4.94 121.76 117.14 1gx3 s ALA 103 Ca 0.46 0.83 -0.14 0.00 0.00 0.00 0.00 51.96 53.11 1gx3 s ALA 103 Cb 0.41 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 20.07 1gx3 s ALA 103 CO -0.01 -2.07 1.11 -1.25 0.00 0.00 0.00 175.76 173.54 1gx3 s PRO 104 N -4.07 2.70 0.07 0.00 0.04 -1.26 -4.92 135.00 127.56 1gx3 s PRO 104 Ca 0.73 1.39 -0.35 0.00 0.04 0.00 0.00 61.00 62.81 1gx3 s PRO 104 Cb -0.28 -1.94 -0.14 0.00 0.04 0.00 0.00 34.50 32.18 1gx3 s PRO 104 CO 0.48 -1.33 1.58 -0.11 0.04 0.00 0.00 177.00 177.66 1gx3 n LEU 105 N -2.56 2.75 -4.86 -3.56 7.94 -1.26 -4.97 117.00 110.49 1gx3 n LEU 105 Ca 0.10 1.07 -0.31 0.00 -1.11 0.00 0.00 56.01 55.77 1gx3 n LEU 105 Cb 0.52 -1.34 0.03 0.00 0.53 0.00 0.00 43.42 43.15 1gx3 n LEU 105 CO 0.48 -0.45 0.72 -2.84 -1.11 0.00 0.00 177.39 174.20 1gx3 s PRO 106 N 1.49 3.32 0.75 1.96 0.02 -1.26 -5.03 135.00 136.24 1gx3 s PRO 106 Ca 0.84 0.77 -0.12 0.00 0.02 0.00 0.00 61.00 62.51 1gx3 s PRO 106 Cb -0.77 -2.05 0.05 0.00 0.02 0.00 0.00 34.50 31.75 1gx3 s PRO 106 CO 0.44 -0.78 1.11 0.00 -0.33 0.00 0.00 177.00 177.44 1gx3 s ALA 107 N -3.16 2.24 -0.48 -1.55 0.00 -1.26 -4.90 121.76 112.65 1gx3 s ALA 107 Ca 0.56 0.42 -0.28 0.00 0.00 0.00 0.00 51.96 52.67 1gx3 s ALA 107 Cb -0.12 -3.32 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 1gx3 s ALA 107 CO 0.54 -1.72 1.71 -0.65 0.00 0.00 0.00 175.76 175.65 1gx3 s GLN 108 N -4.57 3.10 0.00 0.00 -0.21 -1.26 -4.36 119.66 112.36 1gx3 s GLN 108 Ca 0.64 0.91 0.00 0.00 0.02 0.00 0.00 55.36 56.93 1gx3 s GLN 108 Cb -0.19 -4.24 0.00 0.00 1.00 0.00 0.00 33.01 29.58 1gx3 s GLN 108 CO 0.51 -2.16 0.43 0.25 -2.12 0.00 0.00 175.29 172.20 1gx3 n THR 109 N 7.21 0.10 -4.78 -0.19 -2.24 -0.46 -4.84 114.28 109.08 1gx3 n THR 109 Ca 0.19 -0.41 -0.25 0.00 -2.27 0.00 0.00 64.05 61.32 1gx3 n THR 109 Cb 0.49 1.19 -0.15 0.00 -2.10 0.00 0.00 70.33 69.77 1gx3 n THR 109 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1gx3 s HIS 110 N -0.10 1.65 -0.08 4.78 5.65 -0.90 -4.92 115.29 121.37 1gx3 s HIS 110 Ca 0.00 -0.33 0.04 0.00 0.25 0.00 0.00 55.06 55.02 1gx3 s HIS 110 Cb 0.00 -1.04 0.00 0.00 -1.18 0.00 0.00 32.58 30.36 1gx3 s HIS 110 CO 0.00 0.01 -0.22 1.21 -0.65 0.00 0.00 174.74 175.09 1gx3 s ASN 111 N -0.67 2.80 0.28 9.88 3.04 -1.26 -0.60 114.94 128.41 1gx3 s ASN 111 Ca 0.07 -0.49 0.02 0.00 0.04 0.00 0.00 52.86 52.50 1gx3 s ASN 111 Cb -0.08 -1.16 -0.04 0.00 -1.54 0.00 0.00 41.25 38.43 1gx3 s ASN 111 CO 0.00 0.15 0.14 0.68 -3.04 0.00 0.00 177.10 175.03 1gx3 s VAL 112 N 0.29 0.39 0.08 -5.21 -7.23 -0.52 -4.77 120.40 103.43 1gx3 s VAL 112 Ca -0.15 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.11 1gx3 s VAL 112 Cb -0.16 -2.55 -0.03 0.00 0.56 0.00 0.00 36.38 34.19 1gx3 s VAL 112 CO 0.07 0.00 -0.22 -0.76 -0.31 0.00 0.00 175.10 173.88 1gx3 s LEU 113 N -3.34 2.45 -0.19 1.32 1.43 -0.36 -0.61 118.68 119.39 1gx3 s LEU 113 Ca 0.36 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1gx3 s LEU 113 Cb 0.06 -1.40 0.03 0.00 0.03 0.00 0.00 46.19 44.91 1gx3 s LEU 113 CO 0.16 0.22 -0.18 -0.55 0.23 0.00 0.00 176.35 176.24 1gx3 s SER 114 N -1.66 3.25 -0.08 2.29 0.15 -0.08 -1.60 113.70 115.97 1gx3 s SER 114 Ca 0.14 -0.73 0.04 0.00 0.70 0.00 0.00 55.95 56.10 1gx3 s SER 114 Cb -0.10 -1.44 0.00 0.00 -1.71 0.00 0.00 66.02 62.77 1gx3 s SER 114 CO 0.06 -0.04 -0.20 -0.69 1.20 0.00 0.00 173.24 173.57 1gx3 s VAL 115 N 1.29 1.74 -0.21 4.45 1.01 0.44 -1.07 120.40 128.05 1gx3 s VAL 115 Ca 0.03 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 1gx3 s VAL 115 Cb -0.14 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.68 1gx3 s VAL 115 CO -0.12 0.49 0.14 0.00 0.00 0.00 0.00 175.10 175.61 1gx3 s ALA 116 N 0.31 3.66 -0.22 5.51 0.00 0.29 -0.11 121.76 131.20 1gx3 s ALA 116 Ca -0.14 -0.76 -0.06 0.00 0.00 0.00 0.00 51.96 51.00 1gx3 s ALA 116 Cb -0.16 -2.22 -0.03 0.00 0.00 0.00 0.00 23.12 20.71 1gx3 s ALA 116 CO 0.06 0.04 0.04 0.08 0.00 0.00 0.00 175.76 175.97 1gx3 s VAL 117 N 0.60 4.22 0.11 0.00 1.01 -1.26 -2.23 120.40 122.86 1gx3 s VAL 117 Ca 0.08 -0.21 -0.34 0.00 0.00 0.00 0.00 61.98 61.50 1gx3 s VAL 117 Cb -0.12 -2.94 -0.14 0.00 0.00 0.00 0.00 36.38 33.19 1gx3 s VAL 117 CO 0.00 0.40 1.59 -2.65 0.00 0.00 0.00 175.10 174.44 1gx3 n PRO 118 N 4.41 2.00 -0.66 2.72 -0.02 -1.25 -1.80 135.00 140.39 1gx3 n PRO 118 Ca -0.17 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1gx3 n PRO 118 Cb 0.52 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1gx3 n PRO 118 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gx3 n GLY 119 N 3.44 0.66 2.90 -1.23 0.00 -1.26 -4.56 105.19 105.14 1gx3 n GLY 119 Ca 0.18 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 1gx3 n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gx3 s ALA 120 N -2.00 0.13 0.56 4.61 0.00 -0.74 -5.02 121.76 119.30 1gx3 s ALA 120 Ca 0.00 -0.08 -0.17 0.00 0.00 0.00 0.00 51.96 51.71 1gx3 s ALA 120 Cb 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 1gx3 s ALA 120 CO 0.00 0.03 1.05 -0.51 0.00 0.00 0.00 175.76 176.32 1gx3 s ASP 121 N -0.07 5.99 0.52 0.00 1.01 -1.26 -4.57 116.67 118.30 1gx3 s ASP 121 Ca 0.00 1.81 0.00 0.00 0.71 0.00 0.00 52.55 55.07 1gx3 s ASP 121 Cb -0.01 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 1gx3 s ASP 121 CO -0.00 -1.02 0.00 0.61 0.21 0.00 0.00 175.17 174.97 1gx3 n GLY 122 N -0.90 0.20 3.28 0.21 0.00 -1.26 -4.92 105.19 101.80 1gx3 n GLY 122 Ca 0.09 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 1gx3 n GLY 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gx3 s ARG 123 N 0.00 1.26 -0.09 1.61 0.52 -1.26 -4.56 118.95 116.42 1gx3 s ARG 123 Ca 0.00 -1.64 0.04 0.00 -0.52 0.00 0.00 55.73 53.61 1gx3 s ARG 123 Cb 0.00 -0.32 0.00 0.00 0.52 0.00 0.00 34.95 35.16 1gx3 s ARG 123 CO 0.00 -0.19 -0.22 0.71 0.02 0.00 0.00 175.30 175.63 1gx3 s TYR 124 N -3.66 2.31 -0.01 -0.53 1.51 0.84 -0.85 117.35 116.96 1gx3 s TYR 124 Ca 0.30 -0.90 -0.30 0.00 -1.01 0.00 0.00 57.07 55.15 1gx3 s TYR 124 Cb 0.07 -1.56 -0.04 0.00 -0.11 0.00 0.00 41.96 40.32 1gx3 s TYR 124 CO 0.08 -0.37 1.12 -1.17 -1.11 0.00 0.00 175.55 174.11 1gx3 s LEU 125 N 0.35 4.32 -0.08 -1.29 2.96 0.49 -0.42 118.68 125.01 1gx3 s LEU 125 Ca -0.16 1.80 0.02 0.00 -0.22 0.00 0.00 54.13 55.57 1gx3 s LEU 125 Cb -0.17 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 42.97 1gx3 s LEU 125 CO 0.07 -0.46 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.84 1gx3 s VAL 126 N 1.55 1.16 -0.25 1.68 1.01 -0.63 -1.93 120.40 122.98 1gx3 s VAL 126 Ca 0.55 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 1gx3 s VAL 126 Cb -0.24 -1.08 0.13 0.00 0.00 0.00 0.00 36.38 35.18 1gx3 s VAL 126 CO 0.25 0.37 0.32 -0.62 0.00 0.00 0.00 175.10 175.42 1gx3 s ASP 127 N 0.96 0.95 -0.08 3.32 2.15 -1.26 -1.22 116.67 121.49 1gx3 s ASP 127 Ca -0.09 -0.25 0.15 0.00 0.43 0.00 0.00 52.55 52.79 1gx3 s ASP 127 Cb -0.15 0.76 0.48 0.00 -0.30 0.00 0.00 42.92 43.71 1gx3 s ASP 127 CO 0.00 -0.34 1.40 1.33 -0.17 0.00 0.00 175.17 177.39 1gx3 n VAL 128 N 5.34 1.56 0.13 1.11 0.24 -1.26 -3.07 118.33 122.38 1gx3 n VAL 128 Ca -0.03 -1.30 0.04 0.00 -2.04 0.00 0.00 64.34 61.00 1gx3 n VAL 128 Cb 0.49 0.20 0.06 0.00 -1.47 0.00 0.00 33.84 33.11 1gx3 n VAL 128 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1gx3 n GLY 129 N 0.39 0.76 0.26 7.63 0.00 -1.26 -4.68 105.19 108.28 1gx3 n GLY 129 Ca 0.18 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 46.11 1gx3 n GLY 129 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1gx3 n PHE 130 N 0.31 0.00 -0.54 1.61 7.35 -1.26 -2.94 117.46 122.00 1gx3 n PHE 130 Ca 0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 1gx3 n PHE 130 Cb 0.26 -0.09 0.00 0.00 0.35 0.00 0.00 39.48 40.00 1gx3 n PHE 130 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1gx3 n GLY 131 N 1.25 0.48 0.36 7.13 0.00 -1.26 -4.48 105.19 108.66 1gx3 n GLY 131 Ca 0.16 -1.63 0.11 0.00 0.00 0.00 0.00 46.02 44.65 1gx3 n GLY 131 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1gx3 h GLY 132 N 0.00 0.75 -2.95 -0.02 0.00 -1.91 -1.98 103.07 96.96 1gx3 h GLY 132 Ca 0.00 -0.22 -0.16 0.00 0.00 0.00 0.00 47.33 46.96 1gx3 h GLY 132 CO 0.00 0.13 0.15 -0.18 0.00 0.00 0.00 176.54 176.64 1gx3 n GLN 133 N -4.48 3.29 -1.82 4.80 -0.06 -1.26 -4.74 117.38 113.11 1gx3 n GLN 133 Ca 0.11 -3.05 -0.33 0.00 -2.00 0.00 0.00 57.00 51.72 1gx3 n GLN 133 Cb 0.35 -2.07 0.04 0.00 -4.06 0.00 0.00 30.24 24.50 1gx3 n GLN 133 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 1gx3 s THR 134 N -2.99 3.16 0.33 1.69 -1.32 -0.75 -4.94 115.64 110.82 1gx3 s THR 134 Ca 0.51 0.57 -0.29 0.00 -1.21 0.00 0.00 61.69 61.27 1gx3 s THR 134 Cb 0.41 -3.11 -0.11 0.00 -1.51 0.00 0.00 72.50 68.19 1gx3 s THR 134 CO 0.10 -0.30 1.51 -0.76 -2.21 0.00 0.00 174.62 172.96 1gx3 s LEU 135 N -4.71 4.34 0.00 9.08 1.43 -1.18 -4.91 118.68 122.74 1gx3 s LEU 135 Ca 0.68 2.96 0.11 0.00 -1.03 0.00 0.00 54.13 56.86 1gx3 s LEU 135 Cb -0.22 -3.65 0.12 0.00 0.03 0.00 0.00 46.19 42.48 1gx3 s LEU 135 CO 0.39 -0.85 0.92 0.35 0.23 0.00 0.00 176.35 177.40 1gx3 n THR 136 N 1.26 0.15 -4.08 5.49 -2.24 -1.26 -4.58 114.28 109.01 1gx3 n THR 136 Ca 0.04 -0.57 -0.10 0.00 -2.27 0.00 0.00 64.05 61.15 1gx3 n THR 136 Cb 0.39 1.13 -0.11 0.00 -2.10 0.00 0.00 70.33 69.64 1gx3 n THR 136 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1gx3 s SER 137 N -0.96 0.71 0.41 3.42 0.01 -1.26 -4.38 113.70 111.64 1gx3 s SER 137 Ca 0.15 -0.79 -0.25 0.00 1.31 0.00 0.00 55.95 56.36 1gx3 s SER 137 Cb 0.10 0.11 -0.08 0.00 0.21 0.00 0.00 66.02 66.36 1gx3 s SER 137 CO 0.15 -0.41 1.21 -2.16 0.41 0.00 0.00 173.24 172.44 1gx3 s PRO 138 N -2.84 4.00 0.19 12.44 0.04 -1.26 -4.83 135.00 142.74 1gx3 s PRO 138 Ca -0.00 1.94 0.09 0.00 0.04 0.00 0.00 61.00 63.06 1gx3 s PRO 138 Cb -0.01 -2.69 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 1gx3 s PRO 138 CO -0.04 -0.39 -0.17 0.96 0.04 0.00 0.00 177.00 177.39 1gx3 s ILE 139 N -1.37 1.84 0.26 0.56 -4.36 -0.81 -4.98 121.20 112.34 1gx3 s ILE 139 Ca 0.57 -2.05 -0.30 0.00 -0.26 0.00 0.00 60.65 58.61 1gx3 s ILE 139 Cb -0.33 -1.94 -0.10 0.00 1.25 0.00 0.00 42.46 41.34 1gx3 s ILE 139 CO 0.42 -0.41 1.44 -0.13 0.24 0.00 0.00 174.94 176.49 1gx3 s ARG 140 N -3.12 4.26 -1.28 0.37 0.52 -1.26 -0.38 118.95 118.05 1gx3 s ARG 140 Ca 0.19 2.32 -0.15 0.00 -0.52 0.00 0.00 55.73 57.57 1gx3 s ARG 140 Cb -0.04 -3.10 0.12 0.00 0.52 0.00 0.00 34.95 32.45 1gx3 s ARG 140 CO 0.07 -0.42 1.69 -0.11 0.02 0.00 0.00 175.30 176.55 1gx3 n LEU 141 N 2.18 5.43 -3.57 2.53 7.94 -0.03 -4.62 117.00 126.86 1gx3 n LEU 141 Ca 0.06 -4.23 -0.16 0.00 -1.11 0.00 0.00 56.01 50.58 1gx3 n LEU 141 Cb 0.40 -1.66 -0.13 0.00 0.53 0.00 0.00 43.42 42.56 1gx3 n LEU 141 CO 0.61 0.60 -0.18 -0.70 -1.11 0.00 0.00 177.39 176.61 1gx3 s GLU 142 N 2.69 0.16 0.24 1.96 2.12 -1.26 -4.72 118.70 119.89 1gx3 s GLU 142 Ca 0.47 0.46 -0.30 0.00 0.36 0.00 0.00 54.97 55.97 1gx3 s GLU 142 Cb 0.03 -0.63 -0.09 0.00 0.26 0.00 0.00 34.13 33.70 1gx3 s GLU 142 CO 0.02 -0.48 1.13 0.00 -0.54 0.00 0.00 175.26 175.40 1gx3 s ALA 143 N 2.37 3.41 0.00 6.30 0.00 -1.26 -4.42 121.76 128.15 1gx3 s ALA 143 Ca 0.05 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.92 1gx3 s ALA 143 Cb -0.14 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1gx3 s ALA 143 CO -0.10 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.83 1gx3 n GLY 144 N 1.55 2.32 3.77 0.00 0.00 0.87 -4.96 105.19 108.73 1gx3 n GLY 144 Ca 0.01 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 44.90 1gx3 n GLY 144 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gx3 s PRO 145 N 0.00 4.57 0.10 1.61 0.05 -1.26 -4.85 135.00 135.22 1gx3 s PRO 145 Ca 0.00 1.55 -0.31 0.00 0.05 0.00 0.00 61.00 62.29 1gx3 s PRO 145 Cb 0.00 -2.97 -0.08 0.00 0.05 0.00 0.00 34.50 31.50 1gx3 s PRO 145 CO 0.00 0.22 1.46 0.08 0.05 0.00 0.00 177.00 178.81 1gx3 s VAL 146 N -1.39 3.19 -0.07 -0.36 1.01 -1.26 -4.36 120.40 117.16 1gx3 s VAL 146 Ca 0.48 0.80 0.05 0.00 0.00 0.00 0.00 61.98 63.31 1gx3 s VAL 146 Cb -0.25 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1gx3 s VAL 146 CO 0.32 0.04 -0.23 -1.10 0.00 0.00 0.00 175.10 174.13 1gx3 s GLN 147 N 1.52 2.76 0.46 2.72 -0.21 0.16 -5.00 119.66 122.06 1gx3 s GLN 147 Ca 0.67 -0.86 -0.21 0.00 0.02 0.00 0.00 55.36 54.97 1gx3 s GLN 147 Cb -0.38 -2.26 -0.09 0.00 1.00 0.00 0.00 33.01 31.28 1gx3 s GLN 147 CO 0.30 0.33 1.02 -0.65 -2.12 0.00 0.00 175.29 174.17 1gx3 s GLN 148 N -0.03 3.97 0.23 2.91 -1.52 -1.26 -0.95 119.66 123.01 1gx3 s GLN 148 Ca -0.07 1.33 0.04 0.00 -1.95 0.00 0.00 55.36 54.71 1gx3 s GLN 148 Cb -0.15 -2.20 -0.01 0.00 -0.22 0.00 0.00 33.01 30.43 1gx3 s GLN 148 CO 0.05 -0.28 0.13 0.25 -0.25 0.00 0.00 175.29 175.19 1gx3 n THR 149 N -0.71 0.00 0.30 -0.19 -2.24 -1.24 -4.89 114.28 105.31 1gx3 n THR 149 Ca 0.08 -1.46 0.19 0.00 -2.27 0.00 0.00 64.05 60.59 1gx3 n THR 149 Cb 0.52 0.62 0.98 0.00 -2.10 0.00 0.00 70.33 70.36 1gx3 n THR 149 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1gx3 h ARG 150 N 0.00 0.00 0.00 -0.78 3.08 -1.95 -3.42 114.38 111.31 1gx3 h ARG 150 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.88 1gx3 h ARG 150 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1gx3 h ARG 150 CO 0.26 0.00 0.00 0.72 -1.07 0.00 0.00 179.97 179.88 1gx3 n HIS 151 N -2.88 0.00 -2.46 3.04 8.25 -1.26 -5.04 115.22 114.87 1gx3 n HIS 151 Ca -0.02 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.16 1gx3 n HIS 151 Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 1gx3 n HIS 151 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1gx3 s GLU 152 N 2.57 3.54 0.46 -0.41 8.01 -1.26 -5.06 118.70 126.55 1gx3 s GLU 152 Ca 0.00 0.31 -0.24 0.00 0.01 0.00 0.00 54.97 55.05 1gx3 s GLU 152 Cb 0.00 -2.31 -0.07 0.00 -4.31 0.00 0.00 34.13 27.44 1gx3 s GLU 152 CO 0.00 -0.30 1.33 -2.14 0.01 0.00 0.00 175.26 174.16 1gx3 s PRO 153 N -4.85 3.65 0.26 0.39 0.02 -1.26 -3.66 135.00 129.55 1gx3 s PRO 153 Ca 0.49 2.20 0.07 0.00 0.02 0.00 0.00 61.00 63.78 1gx3 s PRO 153 Cb -0.10 -2.55 -0.05 0.00 0.02 0.00 0.00 34.50 31.81 1gx3 s PRO 153 CO 0.47 -0.77 -0.09 0.71 -0.33 0.00 0.00 177.00 176.99 1gx3 s TYR 154 N -1.29 1.90 -0.15 6.54 1.51 -0.12 -0.98 117.35 124.76 1gx3 s TYR 154 Ca 0.63 -0.64 -0.13 0.00 -1.01 0.00 0.00 57.07 55.92 1gx3 s TYR 154 Cb -0.39 -1.01 0.04 0.00 -0.11 0.00 0.00 41.96 40.49 1gx3 s TYR 154 CO 0.49 0.33 0.39 0.50 -1.11 0.00 0.00 175.55 176.14 1gx3 s ARG 155 N -3.69 0.44 -0.16 -0.62 3.52 0.19 -0.67 118.95 117.96 1gx3 s ARG 155 Ca 0.27 0.56 -0.09 0.00 -0.13 0.00 0.00 55.73 56.35 1gx3 s ARG 155 Cb 0.02 0.19 -0.05 0.00 -1.56 0.00 0.00 34.95 33.56 1gx3 s ARG 155 CO 0.11 -0.06 0.14 -0.51 -0.81 0.00 0.00 175.30 174.16 1gx3 s LEU 156 N 0.33 4.29 0.23 -0.88 1.43 -1.26 -1.00 118.68 121.82 1gx3 s LEU 156 Ca -0.01 0.34 0.10 0.00 -1.03 0.00 0.00 54.13 53.53 1gx3 s LEU 156 Cb -0.03 -2.08 -0.05 0.00 0.03 0.00 0.00 46.19 44.06 1gx3 s LEU 156 CO -0.01 0.29 -0.18 0.42 0.23 0.00 0.00 176.35 177.10 1gx3 s THR 157 N -0.28 2.10 -0.03 5.49 -4.23 -0.55 -0.09 115.64 118.05 1gx3 s THR 157 Ca 0.11 -2.25 0.03 0.00 -1.18 0.00 0.00 61.69 58.40 1gx3 s THR 157 Cb -0.11 -2.14 0.00 0.00 1.34 0.00 0.00 72.50 71.59 1gx3 s THR 157 CO 0.01 -0.45 -0.10 -0.60 -0.54 0.00 0.00 174.62 172.93 1gx3 s ARG 158 N -3.44 1.10 -0.28 3.99 3.52 -1.26 -0.10 118.95 122.49 1gx3 s ARG 158 Ca 0.25 -0.35 -0.02 0.00 -0.13 0.00 0.00 55.73 55.48 1gx3 s ARG 158 Cb -0.04 -1.01 0.09 0.00 -1.56 0.00 0.00 34.95 32.44 1gx3 s ARG 158 CO 0.10 0.13 0.08 -1.58 -0.81 0.00 0.00 175.30 173.23 1gx3 s HIS 159 N 0.19 1.32 0.00 5.12 5.65 -0.02 -5.01 115.29 122.53 1gx3 s HIS 159 Ca -0.04 -1.37 0.00 0.00 0.25 0.00 0.00 55.06 53.90 1gx3 s HIS 159 Cb -0.09 -1.40 0.00 0.00 -1.18 0.00 0.00 32.58 29.90 1gx3 s HIS 159 CO 0.01 -0.80 0.00 0.41 -0.65 0.00 0.00 174.74 173.71 1gx3 n GLY 160 N 4.96 0.32 0.53 1.59 0.00 -1.26 -1.97 105.19 109.36 1gx3 n GLY 160 Ca -0.05 -0.94 0.11 0.00 0.00 0.00 0.00 46.02 45.14 1gx3 n GLY 160 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1gx3 n ASP 161 N 3.67 1.62 -4.60 1.61 -0.08 -1.26 -4.83 116.55 112.68 1gx3 n ASP 161 Ca 0.00 -1.66 -0.42 0.00 -1.51 0.00 0.00 54.79 51.20 1gx3 n ASP 161 Cb 0.00 -0.08 -0.05 0.00 2.34 0.00 0.00 41.12 43.32 1gx3 n ASP 161 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1gx3 s ASP 162 N -1.66 6.58 -0.01 1.67 1.11 -0.83 -4.31 116.67 119.22 1gx3 s ASP 162 Ca 0.34 0.49 -0.10 0.00 0.18 0.00 0.00 52.55 53.45 1gx3 s ASP 162 Cb 0.18 -2.39 -0.05 0.00 1.07 0.00 0.00 42.92 41.73 1gx3 s ASP 162 CO 0.28 -0.63 0.31 -1.00 1.18 0.00 0.00 175.17 175.30 1gx3 s HIS 163 N 2.94 3.64 -0.14 4.23 3.76 0.67 -0.84 115.29 129.55 1gx3 s HIS 163 Ca 0.30 0.75 0.02 0.00 -0.15 0.00 0.00 55.06 55.98 1gx3 s HIS 163 Cb -0.14 -2.11 0.01 0.00 1.11 0.00 0.00 32.58 31.44 1gx3 s HIS 163 CO 0.14 0.64 -0.20 0.99 -0.85 0.00 0.00 174.74 175.46 1gx3 s THR 164 N -1.17 2.23 -0.11 1.30 2.01 0.86 -0.74 115.64 120.02 1gx3 s THR 164 Ca 0.24 -0.93 -0.17 0.00 0.31 0.00 0.00 61.69 61.14 1gx3 s THR 164 Cb -0.14 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 1gx3 s THR 164 CO 0.12 0.54 0.44 -0.22 -0.69 0.00 0.00 174.62 174.82 1gx3 s LEU 165 N 0.75 4.30 0.10 4.42 2.96 -0.27 -1.48 118.68 129.45 1gx3 s LEU 165 Ca -0.08 0.79 0.08 0.00 -0.22 0.00 0.00 54.13 54.70 1gx3 s LEU 165 Cb -0.16 -2.63 -0.03 0.00 0.50 0.00 0.00 46.19 43.87 1gx3 s LEU 165 CO -0.00 0.06 -0.20 0.00 -1.32 0.00 0.00 176.35 174.89 1gx3 s ALA 166 N 0.35 1.75 -0.02 5.97 0.00 -0.17 -0.24 121.76 129.41 1gx3 s ALA 166 Ca 0.24 -1.22 0.08 0.00 0.00 0.00 0.00 51.96 51.05 1gx3 s ALA 166 Cb -0.15 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1gx3 s ALA 166 CO 0.10 0.35 -0.25 0.00 0.00 0.00 0.00 175.76 175.96 1gx3 s ALA 167 N -1.17 2.24 -0.81 0.00 0.00 -0.65 -0.64 121.76 120.72 1gx3 s ALA 167 Ca 0.06 -1.12 -0.22 0.00 0.00 0.00 0.00 51.96 50.68 1gx3 s ALA 167 Cb -0.10 -0.59 0.09 0.00 0.00 0.00 0.00 23.12 22.51 1gx3 s ALA 167 CO 0.04 0.53 1.12 -1.14 0.00 0.00 0.00 175.76 176.31 1gx3 s GLN 168 N -0.70 3.36 -0.35 0.00 0.74 -0.15 -0.11 119.66 122.45 1gx3 s GLN 168 Ca 0.10 -1.16 -0.12 0.00 0.05 0.00 0.00 55.36 54.23 1gx3 s GLN 168 Cb -0.10 -4.64 -0.00 0.00 1.10 0.00 0.00 33.01 29.37 1gx3 s GLN 168 CO -0.00 -1.88 0.23 0.08 -0.55 0.00 0.00 175.29 173.16 1gx3 s VAL 169 N 3.83 5.08 -1.58 1.34 1.01 0.39 -4.34 120.40 126.13 1gx3 s VAL 169 Ca 0.30 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 61.77 1gx3 s VAL 169 Cb -0.09 -3.67 0.09 0.00 0.00 0.00 0.00 36.38 32.70 1gx3 s VAL 169 CO 0.01 -0.08 0.60 0.54 0.00 0.00 0.00 175.10 176.17 1gx3 n ARG 170 N 5.08 -3.09 0.00 2.72 1.74 -1.26 -1.33 116.66 120.52 1gx3 n ARG 170 Ca -0.12 0.37 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 1gx3 n ARG 170 Cb 0.49 -4.79 0.00 0.00 -1.02 0.00 0.00 32.46 27.14 1gx3 n ARG 170 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gx3 n GLY 171 N -1.70 2.73 3.37 -0.13 0.00 -1.26 -5.04 105.19 103.16 1gx3 n GLY 171 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 1gx3 n GLY 171 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gx3 s GLU 172 N -0.71 3.40 0.05 1.61 2.02 -0.44 -5.05 118.70 119.58 1gx3 s GLU 172 Ca 0.00 -0.67 -0.31 0.00 0.02 0.00 0.00 54.97 54.01 1gx3 s GLU 172 Cb 0.00 -2.66 -0.06 0.00 0.10 0.00 0.00 34.13 31.51 1gx3 s GLU 172 CO 0.00 0.20 1.40 -1.58 0.02 0.00 0.00 175.26 175.29 1gx3 s TRP 173 N 0.39 3.00 -0.12 1.61 0.52 -1.26 -0.46 118.94 122.63 1gx3 s TRP 173 Ca -0.10 0.87 -0.00 0.00 0.02 0.00 0.00 56.10 56.89 1gx3 s TRP 173 Cb -0.16 -3.67 0.02 0.00 -1.15 0.00 0.00 33.47 28.52 1gx3 s TRP 173 CO 0.05 -2.41 -0.10 -0.65 0.02 0.00 0.00 176.95 173.86 1gx3 s GLN 174 N 1.88 1.77 0.30 4.98 -0.21 0.84 -4.94 119.66 124.29 1gx3 s GLN 174 Ca 0.64 -0.36 -0.29 0.00 0.02 0.00 0.00 55.36 55.37 1gx3 s GLN 174 Cb -0.33 -1.74 -0.11 0.00 1.00 0.00 0.00 33.01 31.83 1gx3 s GLN 174 CO 0.28 -0.24 1.47 -2.14 -2.12 0.00 0.00 175.29 172.54 1gx3 s PRO 175 N 1.58 4.21 -0.12 2.91 0.02 -1.26 -1.64 135.00 140.70 1gx3 s PRO 175 Ca 0.04 2.42 -0.12 0.00 0.02 0.00 0.00 61.00 63.35 1gx3 s PRO 175 Cb -0.13 -3.05 -0.05 0.00 0.02 0.00 0.00 34.50 31.29 1gx3 s PRO 175 CO -0.08 -0.46 -0.25 1.28 -0.33 0.00 0.00 177.00 177.16 1gx3 n LEU 176 N 1.58 1.64 -3.71 -5.54 4.77 0.67 -3.79 117.00 112.63 1gx3 n LEU 176 Ca 0.05 0.27 -0.10 0.00 -0.03 0.00 0.00 56.01 56.20 1gx3 n LEU 176 Cb 0.40 -0.62 -0.04 0.00 -2.33 0.00 0.00 43.42 40.83 1gx3 n LEU 176 CO 0.62 -0.25 0.27 -0.72 -1.33 0.00 0.00 177.39 175.97 1gx3 s TYR 177 N -2.59 -0.15 0.16 -1.77 -0.85 -1.19 -1.37 117.35 109.59 1gx3 s TYR 177 Ca -0.22 -0.18 0.10 0.00 -0.52 0.00 0.00 57.07 56.25 1gx3 s TYR 177 Cb 0.04 0.39 -0.04 0.00 0.38 0.00 0.00 41.96 42.73 1gx3 s TYR 177 CO 0.31 -0.89 -0.17 0.95 -1.52 0.00 0.00 175.55 174.24 1gx3 s THR 178 N -3.86 2.83 0.21 -3.49 -4.23 -0.11 -1.12 115.64 105.87 1gx3 s THR 178 Ca 0.08 -1.72 -0.20 0.00 -1.18 0.00 0.00 61.69 58.67 1gx3 s THR 178 Cb -0.01 -2.35 0.04 0.00 1.34 0.00 0.00 72.50 71.52 1gx3 s THR 178 CO -0.04 -0.04 0.60 0.72 -0.54 0.00 0.00 174.62 175.31 1gx3 s PHE 179 N -1.51 -0.25 0.37 3.99 -0.12 0.08 -0.45 117.98 120.10 1gx3 s PHE 179 Ca 0.21 -0.09 0.08 0.00 -0.05 0.00 0.00 56.93 57.09 1gx3 s PHE 179 Cb -0.09 0.52 -0.05 0.00 -0.63 0.00 0.00 43.02 42.77 1gx3 s PHE 179 CO 0.12 -0.99 0.10 0.95 -0.05 0.00 0.00 175.22 175.35 1gx3 s THR 180 N -3.85 2.58 -0.75 -4.49 -4.23 -1.24 -0.24 115.64 103.41 1gx3 s THR 180 Ca 0.08 -1.81 0.12 0.00 -1.18 0.00 0.00 61.69 58.89 1gx3 s THR 180 Cb -0.02 -2.92 0.58 0.00 1.34 0.00 0.00 72.50 71.48 1gx3 s THR 180 CO -0.03 -0.12 1.42 0.35 -0.54 0.00 0.00 174.62 175.70 1gx3 n THR 181 N -1.10 1.78 -2.19 3.99 -2.24 -1.26 -4.52 114.28 108.74 1gx3 n THR 181 Ca -0.03 -0.97 -0.43 0.00 -2.27 0.00 0.00 64.05 60.35 1gx3 n THR 181 Cb 0.63 -0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.64 1gx3 n THR 181 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1gx3 s GLU 182 N -2.10 3.75 0.31 -0.78 2.12 -1.26 -4.98 118.70 115.77 1gx3 s GLU 182 Ca 0.40 1.47 -0.30 0.00 0.36 0.00 0.00 54.97 56.90 1gx3 s GLU 182 Cb 0.28 -4.02 -0.12 0.00 0.26 0.00 0.00 34.13 30.54 1gx3 s GLU 182 CO 0.14 -1.34 1.56 -2.30 -0.54 0.00 0.00 175.26 172.78 1gx3 n PRO 183 N 7.70 2.65 -4.27 4.30 -0.02 -1.26 -4.59 135.00 139.50 1gx3 n PRO 183 Ca 0.18 0.94 -0.34 0.00 -2.02 0.00 0.00 63.50 62.26 1gx3 n PRO 183 Cb 0.46 -2.70 -0.11 0.00 -0.02 0.00 0.00 33.50 31.13 1gx3 n PRO 183 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1gx3 s ARG 184 N -0.86 3.70 0.71 -0.52 1.81 0.44 -5.01 118.95 119.22 1gx3 s ARG 184 Ca 0.62 -0.45 -0.12 0.00 -1.72 0.00 0.00 55.73 54.06 1gx3 s ARG 184 Cb -0.50 -3.00 0.02 0.00 -0.45 0.00 0.00 34.95 31.02 1gx3 s ARG 184 CO 0.52 0.30 1.08 -1.25 -0.68 0.00 0.00 175.30 175.27 1gx3 s PRO 185 N 0.23 2.72 0.27 3.54 0.04 -1.26 -4.58 135.00 135.94 1gx3 s PRO 185 Ca -0.00 1.11 -0.01 0.00 0.04 0.00 0.00 61.00 62.14 1gx3 s PRO 185 Cb -0.13 -1.96 0.53 0.00 0.04 0.00 0.00 34.50 32.98 1gx3 s PRO 185 CO 0.02 -1.28 1.79 -0.09 0.04 0.00 0.00 177.00 177.48 1gx3 h ARG 186 N -0.65 0.75 -0.44 4.56 2.43 -1.99 -1.17 114.38 117.87 1gx3 h ARG 186 Ca -0.44 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 58.65 1gx3 h ARG 186 Cb 1.22 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 1gx3 h ARG 186 CO 0.55 0.49 0.14 0.97 -1.51 0.00 0.00 179.97 180.61 1gx3 h ILE 187 N 0.77 1.18 -0.46 1.20 6.09 -1.99 0.11 117.51 124.41 1gx3 h ILE 187 Ca 0.47 -0.61 -0.11 0.00 -1.37 0.00 0.00 64.86 63.23 1gx3 h ILE 187 Cb 0.57 0.70 -0.02 0.00 0.47 0.00 0.00 36.82 38.55 1gx3 h ILE 187 CO -0.31 0.23 -0.16 0.44 -3.07 0.00 0.00 178.15 175.27 1gx3 h ASP 188 N 0.63 0.90 -0.46 2.19 3.32 -1.59 -1.24 116.42 120.17 1gx3 h ASP 188 Ca 0.15 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 56.84 1gx3 h ASP 188 Cb 0.19 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1gx3 h ASP 188 CO -0.01 1.05 0.08 -0.07 -1.72 0.00 0.00 179.24 178.57 1gx3 h LEU 189 N 0.79 0.72 -1.19 1.55 3.38 -0.86 -2.72 115.31 116.98 1gx3 h LEU 189 Ca 0.12 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.86 1gx3 h LEU 189 Cb 0.70 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1gx3 h LEU 189 CO 0.05 0.80 0.56 -0.33 0.09 0.00 0.00 178.44 179.61 1gx3 h GLU 190 N 0.62 1.02 -0.51 1.13 5.08 -0.44 0.98 114.58 122.46 1gx3 h GLU 190 Ca 0.14 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 1gx3 h GLU 190 Cb 0.38 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1gx3 h GLU 190 CO 0.01 0.67 0.17 0.28 -1.00 0.00 0.00 179.01 179.14 1gx3 h VAL 191 N 1.05 1.23 0.12 3.13 2.07 -1.14 -0.25 116.25 122.44 1gx3 h VAL 191 Ca 0.34 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 1gx3 h VAL 191 Cb 0.05 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1gx3 h VAL 191 CO -0.10 0.27 -0.07 1.23 0.02 0.00 0.00 177.57 178.92 1gx3 h GLY 192 N 0.68 -0.18 1.75 2.17 0.00 -1.15 -2.13 103.07 104.20 1gx3 h GLY 192 Ca 0.16 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 1gx3 h GLY 192 CO -0.01 -0.08 0.09 0.23 0.00 0.00 0.00 176.54 176.78 1gx3 h SER 193 N -0.19 0.30 -0.12 0.19 0.87 -0.64 -1.24 113.55 112.72 1gx3 h SER 193 Ca -0.01 -0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1gx3 h SER 193 Cb 0.16 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1gx3 h SER 193 CO 0.01 0.28 0.06 -0.25 -0.53 0.00 0.00 176.83 176.40 1gx3 h TRP 194 N 0.33 0.11 0.36 2.24 2.91 -0.86 0.12 115.95 121.17 1gx3 h TRP 194 Ca 0.09 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.10 1gx3 h TRP 194 Cb 0.08 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 28.69 1gx3 h TRP 194 CO 0.00 0.07 -0.23 -0.92 -1.03 0.00 0.00 178.44 176.33 1gx3 h TYR 195 N 0.13 -0.61 -0.01 2.65 3.20 -0.73 -1.70 116.97 119.90 1gx3 h TYR 195 Ca 0.05 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 1gx3 h TYR 195 Cb 0.00 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1gx3 h TYR 195 CO -0.09 -0.36 -0.22 0.28 -1.64 0.00 0.00 178.16 176.14 1gx3 h VAL 196 N -0.58 1.17 -0.01 1.81 2.07 -1.02 -0.52 116.25 119.17 1gx3 h VAL 196 Ca -0.04 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1gx3 h VAL 196 Cb 0.48 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 1gx3 h VAL 196 CO 0.03 0.23 -0.29 -1.54 0.02 0.00 0.00 177.57 176.02 1gx3 n SER 197 N -4.27 1.37 0.00 0.57 3.41 0.01 -4.40 113.62 110.30 1gx3 n SER 197 Ca -0.02 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.47 1gx3 n SER 197 Cb 0.28 0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1gx3 n SER 197 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1gx3 n THR 198 N -0.39 0.00 -1.87 6.66 -2.24 -0.65 -4.57 114.28 111.21 1gx3 n THR 198 Ca 0.12 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.48 1gx3 n THR 198 Cb 0.39 -0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 1gx3 n THR 198 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1gx3 s HIS 199 N -0.76 3.01 0.53 4.78 5.04 -0.23 -4.89 115.29 122.78 1gx3 s HIS 199 Ca 0.00 0.56 0.42 0.00 -1.54 0.00 0.00 55.06 54.50 1gx3 s HIS 199 Cb 0.00 -3.99 2.18 0.00 0.04 0.00 0.00 32.58 30.81 1gx3 s HIS 199 CO 0.00 -3.66 2.28 -1.00 -2.34 0.00 0.00 174.74 170.02 1gx3 h PRO 200 N 6.71 0.00 -0.00 2.88 0.13 -1.97 -1.24 132.00 138.50 1gx3 h PRO 200 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1gx3 h PRO 200 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1gx3 h PRO 200 CO 0.92 0.00 -0.11 0.41 -0.23 0.00 0.00 178.00 178.99 1gx3 n GLY 201 N -0.81 -1.03 3.76 1.56 0.00 -1.26 -4.65 105.19 102.75 1gx3 n GLY 201 Ca -0.02 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1gx3 n GLY 201 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gx3 s SER 202 N -2.54 6.83 0.47 1.61 0.15 -0.47 -4.90 113.70 114.86 1gx3 s SER 202 Ca 0.27 2.57 0.21 0.00 0.70 0.00 0.00 55.95 59.70 1gx3 s SER 202 Cb 0.20 -2.63 1.22 0.00 -1.71 0.00 0.00 66.02 63.10 1gx3 s SER 202 CO 0.49 -0.52 1.94 -0.74 1.20 0.00 0.00 173.24 175.60 1gx3 h HIS 203 N 4.24 0.27 -0.01 3.44 2.76 -1.90 -0.49 115.15 123.46 1gx3 h HIS 203 Ca -0.47 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.71 1gx3 h HIS 203 Cb 1.22 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 30.10 1gx3 h HIS 203 CO 0.58 0.10 -0.10 1.19 -1.30 0.00 0.00 177.93 178.40 1gx3 n PHE 204 N -4.42 0.00 -0.06 5.26 3.01 -1.26 -3.35 117.46 116.63 1gx3 n PHE 204 Ca 0.14 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.55 1gx3 n PHE 204 Cb 0.62 -0.09 -0.12 0.00 -0.01 0.00 0.00 39.48 39.88 1gx3 n PHE 204 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1gx3 n VAL 205 N -0.51 0.87 1.01 -4.37 0.31 -0.30 -3.52 118.33 111.81 1gx3 n VAL 205 Ca 0.16 -0.60 0.13 0.00 -0.01 0.00 0.00 64.34 64.02 1gx3 n VAL 205 Cb 0.30 -0.48 0.35 0.00 -0.91 0.00 0.00 33.84 33.11 1gx3 n VAL 205 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1gx3 n THR 206 N -2.48 0.00 -3.46 2.52 -2.24 -0.57 -4.64 114.28 103.41 1gx3 n THR 206 Ca -0.21 -0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.54 1gx3 n THR 206 Cb 0.90 0.06 0.01 0.00 -2.10 0.00 0.00 70.33 69.20 1gx3 n THR 206 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gx3 n GLY 207 N 1.50 1.33 3.44 3.38 0.00 -1.21 -4.77 105.19 108.85 1gx3 n GLY 207 Ca 0.06 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 1gx3 n GLY 207 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1gx3 s LEU 208 N 0.00 3.15 -0.06 0.99 2.96 -1.26 -4.70 118.68 119.76 1gx3 s LEU 208 Ca 0.08 -0.21 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 1gx3 s LEU 208 Cb -0.02 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.91 1gx3 s LEU 208 CO 0.04 0.11 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.17 1gx3 s THR 209 N 0.73 1.04 -0.01 3.68 2.01 -1.26 -1.37 115.64 120.47 1gx3 s THR 209 Ca -0.02 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.56 1gx3 s THR 209 Cb -0.14 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.42 1gx3 s THR 209 CO 0.02 0.33 0.00 -0.69 -0.69 0.00 0.00 174.62 173.59 1gx3 s VAL 210 N 0.65 0.06 0.15 3.82 1.01 -0.36 -2.60 120.40 123.12 1gx3 s VAL 210 Ca -0.13 0.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.74 1gx3 s VAL 210 Cb -0.15 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.15 1gx3 s VAL 210 CO 0.03 0.06 0.39 0.00 0.00 0.00 0.00 175.10 175.58 1gx3 s ALA 211 N 0.39 -0.69 0.00 5.51 0.00 0.09 -0.32 121.76 126.74 1gx3 s ALA 211 Ca -0.03 -0.31 -0.28 0.00 0.00 0.00 0.00 51.96 51.34 1gx3 s ALA 211 Cb -0.05 0.74 0.09 0.00 0.00 0.00 0.00 23.12 23.90 1gx3 s ALA 211 CO -0.01 -0.67 0.76 0.54 0.00 0.00 0.00 175.76 176.37 1gx3 s VAL 212 N -3.86 0.00 -0.09 0.00 0.11 -0.83 -0.60 120.40 115.13 1gx3 s VAL 212 Ca 0.07 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.10 1gx3 s VAL 212 Cb 0.02 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.91 1gx3 s VAL 212 CO -0.07 0.00 0.06 -0.69 -3.33 0.00 0.00 175.10 171.07 1gx3 s VAL 213 N -2.35 0.01 0.60 2.04 1.01 -1.05 -1.05 120.40 119.61 1gx3 s VAL 213 Ca -0.02 0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.20 1gx3 s VAL 213 Cb -0.01 -0.37 0.09 0.00 0.00 0.00 0.00 36.38 36.09 1gx3 s VAL 213 CO -0.02 0.05 0.82 0.42 0.00 0.00 0.00 175.10 176.37 1gx3 s THR 214 N 2.11 2.21 0.40 3.92 -4.23 -0.17 -2.51 115.64 117.37 1gx3 s THR 214 Ca 0.04 -0.91 0.08 0.00 -1.18 0.00 0.00 61.69 59.73 1gx3 s THR 214 Cb -0.13 -2.30 0.29 0.00 1.34 0.00 0.00 72.50 71.70 1gx3 s THR 214 CO -0.05 0.00 2.00 0.44 -0.54 0.00 0.00 174.62 176.46 1gx3 h ASP 215 N 0.05 0.53 0.00 3.99 3.32 -1.98 -3.16 116.42 119.17 1gx3 h ASP 215 Ca -0.32 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 1gx3 h ASP 215 Cb 1.28 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1gx3 h ASP 215 CO 0.41 0.35 -1.11 0.47 -1.72 0.00 0.00 179.24 177.64 1gx3 n ASP 216 N -4.47 0.82 -3.70 6.45 8.00 -1.26 -4.96 116.55 117.43 1gx3 n ASP 216 Ca 0.08 -0.76 -0.14 0.00 0.71 0.00 0.00 54.79 54.67 1gx3 n ASP 216 Cb 0.21 1.18 -0.08 0.00 -0.02 0.00 0.00 41.12 42.41 1gx3 n ASP 216 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gx3 s ALA 217 N -2.93 -1.10 -0.24 2.24 0.00 -1.19 -4.18 121.76 114.36 1gx3 s ALA 217 Ca 0.04 0.85 -0.09 0.00 0.00 0.00 0.00 51.96 52.77 1gx3 s ALA 217 Cb 0.14 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 1gx3 s ALA 217 CO 0.80 -0.27 0.11 1.03 0.00 0.00 0.00 175.76 177.43 1gx3 s ARG 218 N -0.77 3.89 -0.19 0.00 0.52 -0.54 -1.00 118.95 120.86 1gx3 s ARG 218 Ca -0.08 -0.37 -0.05 0.00 -0.52 0.00 0.00 55.73 54.71 1gx3 s ARG 218 Cb -0.03 -3.41 -0.03 0.00 0.52 0.00 0.00 34.95 32.00 1gx3 s ARG 218 CO 0.04 -0.01 -0.00 0.71 0.02 0.00 0.00 175.30 176.06 1gx3 s TYR 219 N 1.19 3.05 -0.05 -0.53 1.51 -0.22 -0.97 117.35 121.34 1gx3 s TYR 219 Ca 0.06 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.70 1gx3 s TYR 219 Cb -0.14 -2.06 0.03 0.00 -0.11 0.00 0.00 41.96 39.68 1gx3 s TYR 219 CO 0.05 -0.18 0.05 1.21 -1.11 0.00 0.00 175.55 175.57 1gx3 s ASN 220 N 0.84 1.25 -0.18 2.29 2.47 -0.22 -1.96 114.94 119.43 1gx3 s ASN 220 Ca 0.01 0.03 -0.04 0.00 0.42 0.00 0.00 52.86 53.28 1gx3 s ASN 220 Cb -0.14 -0.18 -0.02 0.00 -1.45 0.00 0.00 41.25 39.45 1gx3 s ASN 220 CO 0.02 -0.25 -0.04 -0.22 -3.72 0.00 0.00 177.10 172.89 1gx3 s LEU 221 N 2.14 3.10 -0.17 3.21 2.96 0.56 -0.24 118.68 130.25 1gx3 s LEU 221 Ca 0.05 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 53.71 1gx3 s LEU 221 Cb -0.12 -1.76 0.05 0.00 0.50 0.00 0.00 46.19 44.85 1gx3 s LEU 221 CO -0.04 0.10 -0.02 -0.60 -1.32 0.00 0.00 176.35 174.48 1gx3 s ARG 222 N 0.78 1.09 7.91 1.98 6.06 -0.40 -1.23 118.95 135.14 1gx3 s ARG 222 Ca -0.01 -0.47 0.00 0.00 -2.50 0.00 0.00 55.73 52.75 1gx3 s ARG 222 Cb -0.15 -1.99 0.00 0.00 0.06 0.00 0.00 34.95 32.88 1gx3 s ARG 222 CO 0.02 -0.51 0.00 0.41 -2.50 0.00 0.00 175.30 172.72 1gx3 n GLY 223 N 4.94 3.52 0.00 8.12 0.00 -0.47 -1.29 105.19 120.02 1gx3 n GLY 223 Ca -0.10 -0.11 0.14 0.00 0.00 0.00 0.00 46.02 45.95 1gx3 n GLY 223 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1gx3 n ARG 224 N 13.90 0.14 -3.55 1.61 1.85 -0.73 -4.84 116.66 125.05 1gx3 n ARG 224 Ca 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.44 1gx3 n ARG 224 Cb 0.00 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 29.80 1gx3 n ARG 224 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1gx3 s ASN 225 N -2.86 5.90 -0.26 2.89 0.01 -0.41 -0.70 114.94 119.51 1gx3 s ASN 225 Ca 0.19 -0.73 -0.12 0.00 -0.71 0.00 0.00 52.86 51.49 1gx3 s ASN 225 Cb 0.19 -2.09 -0.05 0.00 0.41 0.00 0.00 41.25 39.72 1gx3 s ASN 225 CO 0.51 -0.33 0.22 -0.22 -1.51 0.00 0.00 177.10 175.76 1gx3 s LEU 226 N 1.65 4.06 -0.10 0.60 2.96 0.30 -1.27 118.68 126.88 1gx3 s LEU 226 Ca 0.04 0.10 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 1gx3 s LEU 226 Cb -0.18 -2.18 -0.01 0.00 0.50 0.00 0.00 46.19 44.31 1gx3 s LEU 226 CO 0.09 -0.03 -0.16 0.00 -1.32 0.00 0.00 176.35 174.92 1gx3 s ALA 227 N 1.54 2.51 -0.13 5.97 0.00 0.67 -0.97 121.76 131.34 1gx3 s ALA 227 Ca 0.09 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.12 1gx3 s ALA 227 Cb -0.15 -1.04 0.02 0.00 0.00 0.00 0.00 23.12 21.95 1gx3 s ALA 227 CO 0.09 0.34 -0.13 0.08 0.00 0.00 0.00 175.76 176.13 1gx3 s VAL 228 N 0.07 1.43 -0.30 0.00 1.01 -0.16 -1.05 120.40 121.40 1gx3 s VAL 228 Ca -0.07 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.26 1gx3 s VAL 228 Cb -0.15 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 1gx3 s VAL 228 CO 0.05 0.43 0.15 -1.00 0.00 0.00 0.00 175.10 174.73 1gx3 s HIS 229 N 1.38 3.17 0.36 5.22 3.76 -0.14 -0.37 115.29 128.67 1gx3 s HIS 229 Ca 0.01 -0.47 0.06 0.00 -0.15 0.00 0.00 55.06 54.52 1gx3 s HIS 229 Cb -0.13 -2.35 -0.07 0.00 1.11 0.00 0.00 32.58 31.14 1gx3 s HIS 229 CO -0.07 -0.41 0.01 1.03 -0.85 0.00 0.00 174.74 174.45 1gx3 s ARG 230 N 1.63 1.78 -0.11 1.40 0.52 -0.26 -1.47 118.95 122.45 1gx3 s ARG 230 Ca 0.05 -1.98 -0.29 0.00 -0.52 0.00 0.00 55.73 52.98 1gx3 s ARG 230 Cb -0.17 -1.30 -0.05 0.00 0.52 0.00 0.00 34.95 33.95 1gx3 s ARG 230 CO 0.06 -0.07 1.76 0.45 0.02 0.00 0.00 175.30 177.52 1gx3 s SER 231 N -3.59 6.41 0.00 0.23 0.15 -1.26 -2.90 113.70 112.74 1gx3 s SER 231 Ca 0.35 2.08 0.00 0.00 0.70 0.00 0.00 55.95 59.07 1gx3 s SER 231 Cb 0.08 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 1gx3 s SER 231 CO 0.16 -1.16 0.00 0.61 1.20 0.00 0.00 173.24 174.05 1gx3 n GLY 232 N 4.54 0.19 3.58 9.45 0.00 -1.26 -5.00 105.19 116.68 1gx3 n GLY 232 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 1gx3 n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gx3 s ALA 233 N -2.06 -1.96 -0.03 4.61 0.00 -1.14 -5.15 121.76 116.03 1gx3 s ALA 233 Ca 0.00 1.54 0.07 0.00 0.00 0.00 0.00 51.96 53.56 1gx3 s ALA 233 Cb 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 1gx3 s ALA 233 CO 0.00 -0.40 -0.22 0.99 0.00 0.00 0.00 175.76 176.13 1gx3 s THR 234 N -1.60 2.42 0.03 0.00 2.01 -1.26 -1.11 115.64 116.14 1gx3 s THR 234 Ca 0.02 -0.99 0.06 0.00 0.31 0.00 0.00 61.69 61.09 1gx3 s THR 234 Cb -0.01 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 1gx3 s THR 234 CO -0.02 0.57 -0.13 -1.61 -0.69 0.00 0.00 174.62 172.73 1gx3 s GLU 235 N -0.70 2.26 -0.07 4.92 2.02 0.50 -4.97 118.70 122.65 1gx3 s GLU 235 Ca 0.11 -0.89 -0.00 0.00 0.02 0.00 0.00 54.97 54.21 1gx3 s GLU 235 Cb -0.10 -2.31 0.03 0.00 0.10 0.00 0.00 34.13 31.84 1gx3 s GLU 235 CO -0.00 0.56 -0.03 -1.01 0.02 0.00 0.00 175.26 174.80 1gx3 s HIS 236 N -0.97 0.85 -0.17 1.61 3.76 -1.26 -0.98 115.29 118.13 1gx3 s HIS 236 Ca 0.16 -0.28 0.01 0.00 -0.15 0.00 0.00 55.06 54.80 1gx3 s HIS 236 Cb -0.11 -0.84 0.01 0.00 1.11 0.00 0.00 32.58 32.76 1gx3 s HIS 236 CO 0.07 -0.32 -0.19 0.42 -0.85 0.00 0.00 174.74 173.86 1gx3 s ILE 237 N 1.57 2.19 -0.32 0.60 1.01 -0.15 -5.00 121.20 121.10 1gx3 s ILE 237 Ca -0.00 -0.91 -0.08 0.00 0.00 0.00 0.00 60.65 59.65 1gx3 s ILE 237 Cb -0.13 -1.91 0.02 0.00 0.01 0.00 0.00 42.46 40.45 1gx3 s ILE 237 CO -0.04 0.53 0.12 -0.60 0.00 0.00 0.00 174.94 174.96 1gx3 s ARG 238 N 1.09 2.95 0.27 2.79 3.52 -1.26 -0.54 118.95 127.78 1gx3 s ARG 238 Ca -0.00 -0.96 -0.24 0.00 -0.13 0.00 0.00 55.73 54.39 1gx3 s ARG 238 Cb -0.14 -3.49 -0.09 0.00 -1.56 0.00 0.00 34.95 29.67 1gx3 s ARG 238 CO -0.08 -0.55 0.86 -0.06 -0.81 0.00 0.00 175.30 174.67 1gx3 s PHE 239 N 1.50 3.72 0.27 5.12 2.99 0.12 -4.96 117.98 126.75 1gx3 s PHE 239 Ca 0.02 1.66 0.05 0.00 0.00 0.00 0.00 56.93 58.65 1gx3 s PHE 239 Cb -0.18 -2.82 0.37 0.00 0.00 0.00 0.00 43.02 40.39 1gx3 s PHE 239 CO 0.04 0.30 1.65 -0.44 -0.00 0.00 0.00 175.22 176.76 1gx3 h ASP 240 N 3.43 0.30 -5.03 1.36 3.32 -1.97 -3.46 116.42 114.37 1gx3 h ASP 240 Ca -0.47 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.43 1gx3 h ASP 240 Cb 1.19 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1gx3 h ASP 240 CO 0.65 0.73 0.30 -0.94 -1.72 0.00 0.00 179.24 178.25 1gx3 s SER 241 N -6.88 0.02 0.45 6.45 1.04 -1.26 -5.03 113.70 108.49 1gx3 s SER 241 Ca -0.05 -1.15 0.23 0.00 0.48 0.00 0.00 55.95 55.47 1gx3 s SER 241 Cb 0.13 0.84 1.01 0.00 0.10 0.00 0.00 66.02 68.09 1gx3 s SER 241 CO 0.79 -1.67 1.88 0.00 0.98 0.00 0.00 173.24 175.21 1gx3 h ALA 242 N 2.00 1.11 -0.59 5.32 0.00 -1.90 -2.41 119.26 122.78 1gx3 h ALA 242 Ca -0.33 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1gx3 h ALA 242 Cb 1.25 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1gx3 h ALA 242 CO 0.41 0.30 0.36 0.00 0.00 0.00 0.00 179.25 180.32 1gx3 h ALA 243 N 1.76 0.75 -0.16 0.00 0.00 -1.95 -0.54 119.26 119.13 1gx3 h ALA 243 Ca -0.00 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1gx3 h ALA 243 Cb 0.66 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1gx3 h ALA 243 CO 0.03 0.23 -0.58 1.96 0.00 0.00 0.00 179.25 180.89 1gx3 h GLN 244 N 0.80 0.51 -0.23 0.00 7.50 -1.87 -2.13 115.11 119.69 1gx3 h GLN 244 Ca 0.21 -0.33 0.00 0.00 0.50 0.00 0.00 58.65 59.03 1gx3 h GLN 244 Cb -0.03 0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.53 1gx3 h GLN 244 CO -0.04 0.94 0.15 0.28 -1.50 0.00 0.00 178.83 178.66 1gx3 h VAL 245 N 0.38 1.06 -0.64 -0.54 2.07 -1.01 -1.84 116.25 115.74 1gx3 h VAL 245 Ca 0.00 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.42 1gx3 h VAL 245 Cb 1.12 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1gx3 h VAL 245 CO 0.11 0.06 0.42 -0.07 0.02 0.00 0.00 177.57 178.10 1gx3 h LEU 246 N 0.31 0.72 -1.39 2.57 4.07 -1.02 -0.60 115.31 119.97 1gx3 h LEU 246 Ca 0.08 -0.02 0.06 0.00 0.08 0.00 0.00 57.88 58.08 1gx3 h LEU 246 Cb -0.04 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 41.49 1gx3 h LEU 246 CO -0.02 0.51 0.46 -0.78 -1.08 0.00 0.00 178.44 177.54 1gx3 h ASP 247 N 0.85 0.66 -0.24 -0.43 1.82 -1.08 -1.91 116.42 116.09 1gx3 h ASP 247 Ca 0.24 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.77 1gx3 h ASP 247 Cb -0.08 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 39.78 1gx3 h ASP 247 CO -0.06 0.44 -0.27 0.00 -1.61 0.00 0.00 179.24 177.73 1gx3 h ALA 248 N 1.61 0.35 -0.43 -0.78 0.00 -0.55 0.59 119.26 120.06 1gx3 h ALA 248 Ca 0.30 -0.39 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1gx3 h ALA 248 Cb 0.21 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1gx3 h ALA 248 CO -0.10 0.35 0.07 0.82 0.00 0.00 0.00 179.25 180.39 1gx3 h ILE 249 N 0.31 0.75 0.08 0.00 2.04 -0.70 0.72 117.51 120.70 1gx3 h ILE 249 Ca 0.03 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1gx3 h ILE 249 Cb 0.84 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1gx3 h ILE 249 CO 0.07 0.04 -0.04 0.58 0.00 0.00 0.00 178.15 178.79 1gx3 h VAL 250 N 0.19 0.82 0.03 1.67 2.07 -1.26 -1.81 116.25 117.96 1gx3 h VAL 250 Ca 0.21 -1.42 -0.20 0.00 0.82 0.00 0.00 66.70 66.12 1gx3 h VAL 250 Cb 0.27 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1gx3 h VAL 250 CO -0.29 0.25 -1.05 0.78 0.02 0.00 0.00 177.57 177.28 1gx3 h ASN 251 N -0.96 0.11 -0.15 0.57 4.21 0.19 -2.33 115.58 117.23 1gx3 h ASN 251 Ca -0.01 -0.71 -0.14 0.00 1.21 0.00 0.00 56.30 56.65 1gx3 h ASN 251 Cb 0.49 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.66 1gx3 h ASN 251 CO 0.02 1.43 -0.44 0.03 -1.29 0.00 0.00 177.43 177.17 1gx3 h ARG 252 N -0.79 0.56 0.00 0.81 3.08 -1.02 -3.35 114.38 113.67 1gx3 h ARG 252 Ca -0.27 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.38 1gx3 h ARG 252 Cb 1.38 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.49 1gx3 h ARG 252 CO -0.09 1.03 -0.86 1.19 -1.07 0.00 0.00 179.97 180.17 1gx3 n PHE 253 N -4.25 0.03 -1.68 3.04 3.01 -0.05 -4.99 117.46 112.57 1gx3 n PHE 253 Ca -0.07 0.01 -0.12 0.00 1.01 0.00 0.00 57.45 58.28 1gx3 n PHE 253 Cb 0.56 -0.15 -0.03 0.00 -0.01 0.00 0.00 39.48 39.85 1gx3 n PHE 253 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1gx3 n GLY 254 N 1.48 0.74 3.71 1.37 0.00 -0.87 -4.81 105.19 106.80 1gx3 n GLY 254 Ca 0.04 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 1gx3 n GLY 254 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gx3 s ILE 255 N -2.49 5.00 -0.78 -0.61 1.01 -0.72 -4.87 121.20 117.74 1gx3 s ILE 255 Ca 0.00 1.57 -0.26 0.00 0.00 0.00 0.00 60.65 61.96 1gx3 s ILE 255 Cb 0.00 -4.10 0.04 0.00 0.01 0.00 0.00 42.46 38.41 1gx3 s ILE 255 CO 0.00 0.21 1.29 -0.62 0.00 0.00 0.00 174.94 175.82 1gx3 s ASP 256 N 0.87 6.22 0.25 3.58 2.15 -0.84 -4.14 116.67 124.76 1gx3 s ASP 256 Ca 0.40 -0.64 0.24 0.00 0.43 0.00 0.00 52.55 52.98 1gx3 s ASP 256 Cb -0.18 -2.55 0.94 0.00 -0.30 0.00 0.00 42.92 40.83 1gx3 s ASP 256 CO 0.19 -1.76 1.73 0.18 -0.17 0.00 0.00 175.17 175.34 1gx3 n LEU 257 N 9.18 0.71 -0.12 -1.34 4.77 -1.26 -2.90 117.00 126.04 1gx3 n LEU 257 Ca 0.07 0.64 0.26 0.00 -0.03 0.00 0.00 56.01 56.96 1gx3 n LEU 257 Cb 0.49 -0.51 0.72 0.00 -2.33 0.00 0.00 43.42 41.79 1gx3 n LEU 257 CO 0.70 -0.46 1.24 1.23 -1.33 0.00 0.00 177.39 178.76 1gx3 h GLY 258 N 2.86 0.00 2.00 -0.72 0.00 -1.99 0.76 103.07 105.98 1gx3 h GLY 258 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1gx3 h GLY 258 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 176.54 177.88 1gx3 n ASP 259 N -4.26 0.61 -1.58 0.19 -0.08 -1.14 -2.41 116.55 107.86 1gx3 n ASP 259 Ca 0.16 0.61 -0.11 0.00 -1.51 0.00 0.00 54.79 53.94 1gx3 n ASP 259 Cb 0.86 -0.76 0.20 0.00 2.34 0.00 0.00 41.12 43.77 1gx3 n ASP 259 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1gx3 n LEU 260 N -2.13 5.17 -4.74 -2.67 4.77 0.26 -5.03 117.00 112.63 1gx3 n LEU 260 Ca 0.04 -3.66 -0.41 0.00 -0.03 0.00 0.00 56.01 51.94 1gx3 n LEU 260 Cb 0.29 -0.71 -0.02 0.00 -2.33 0.00 0.00 43.42 40.65 1gx3 n LEU 260 CO 0.23 1.14 1.20 0.00 -1.33 0.00 0.00 177.39 178.63 1gx3 s ALA 261 N -3.24 3.72 0.00 -1.18 0.00 -1.01 -1.96 121.76 118.09 1gx3 s ALA 261 Ca 0.50 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.93 1gx3 s ALA 261 Cb 0.43 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1gx3 s ALA 261 CO 0.05 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.33 1gx3 n GLY 262 N 2.37 0.73 0.31 0.00 0.00 -1.26 -4.96 105.19 102.38 1gx3 n GLY 262 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1gx3 n GLY 262 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gx3 n ARG 263 N -2.00 0.76 -3.21 1.61 1.74 -0.83 -5.01 116.66 109.72 1gx3 n ARG 263 Ca 0.00 -0.62 -0.09 0.00 -0.77 0.00 0.00 57.85 56.37 1gx3 n ARG 263 Cb 0.00 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 29.98 1gx3 n ARG 263 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1gx3 n ASP 264 N -0.58 -7.05 -0.22 0.55 -0.08 -1.26 -4.90 116.55 103.01 1gx3 n ASP 264 Ca 0.08 -0.44 -0.05 0.00 -1.51 0.00 0.00 54.79 52.87 1gx3 n ASP 264 Cb 0.41 -4.99 0.05 0.00 2.34 0.00 0.00 41.12 38.93 1gx3 n ASP 264 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1gx3 h VAL 265 N -0.37 1.13 -0.86 5.18 2.07 -1.95 -2.71 116.25 118.75 1gx3 h VAL 265 Ca -0.32 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 66.94 1gx3 h VAL 265 Cb 1.17 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 1gx3 h VAL 265 CO 0.37 0.15 0.56 -0.61 0.02 0.00 0.00 177.57 178.06 1gx3 h GLN 266 N 0.82 1.09 -0.32 1.57 4.15 -1.94 -0.63 115.11 119.84 1gx3 h GLN 266 Ca 0.24 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.52 1gx3 h GLN 266 Cb -0.06 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.37 1gx3 h GLN 266 CO -0.07 0.72 -0.08 0.00 -1.93 0.00 0.00 178.83 177.47 1gx3 h ALA 267 N 1.34 1.26 -0.15 3.38 0.00 -1.86 -1.01 119.26 122.21 1gx3 h ALA 267 Ca 0.33 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1gx3 h ALA 267 Cb -0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1gx3 h ALA 267 CO -0.09 0.49 -0.25 -0.09 0.00 0.00 0.00 179.25 179.31 1gx3 h ARG 268 N 0.50 0.44 -0.97 0.00 9.65 -1.16 -3.02 114.38 119.82 1gx3 h ARG 268 Ca 0.10 -0.26 0.09 0.00 -1.10 0.00 0.00 59.98 58.80 1gx3 h ARG 268 Cb 0.45 0.03 -0.08 0.00 -1.39 0.00 0.00 29.97 28.98 1gx3 h ARG 268 CO 0.02 0.86 0.61 0.28 2.80 0.00 0.00 179.97 184.54 1gx3 h VAL 269 N 0.05 0.99 0.00 0.20 2.07 -0.96 -1.05 116.25 117.55 1gx3 h VAL 269 Ca 0.01 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1gx3 h VAL 269 Cb 0.82 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1gx3 h VAL 269 CO 0.06 0.19 -0.01 0.00 0.02 0.00 0.00 177.57 177.82 1gx3 h ALA 270 N 1.49 1.66 0.00 1.67 0.00 -1.06 -1.57 119.26 121.45 1gx3 h ALA 270 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1gx3 h ALA 270 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1gx3 h ALA 270 CO -0.22 0.01 0.00 0.93 0.00 0.00 0.00 179.25 179.97 1gx3 h GLU 271 N 0.00 0.00 0.00 0.00 5.08 -1.09 -3.37 114.58 115.20 1gx3 h GLU 271 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1gx3 h GLU 271 Cb 0.02 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 1gx3 h GLU 271 CO 0.00 0.00 -0.47 1.33 -1.00 0.00 0.00 179.01 178.87 1gx3 n VAL 272 N -2.82 1.89 0.18 3.13 0.24 -0.60 -4.77 118.33 115.59 1gx3 n VAL 272 Ca 0.04 -2.79 0.08 0.00 -2.04 0.00 0.00 64.34 59.62 1gx3 n VAL 272 Cb 0.46 -0.10 0.59 0.00 -1.47 0.00 0.00 33.84 33.32 1gx3 n VAL 272 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1gx3 h LEU 273 N 0.81 0.12 -3.03 1.34 3.38 -1.72 -3.19 115.31 113.03 1gx3 h LEU 273 Ca -0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1gx3 h LEU 273 Cb 1.10 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1gx3 h LEU 273 CO 0.01 0.09 0.00 0.47 0.09 0.00 0.00 178.44 179.09 1gx3 n ASP 274 N -4.51 2.50 -0.43 -0.43 8.00 -1.26 -1.78 116.55 118.63 1gx3 n ASP 274 Ca -0.01 -2.81 0.05 0.00 0.71 0.00 0.00 54.79 52.74 1gx3 n ASP 274 Cb 0.12 -0.35 0.05 0.00 -0.02 0.00 0.00 41.12 40.92 1gx3 n ASP 274 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16