#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gx3 n MET 3 N 0.00 -2.57 -3.64 0.00 2.00 -1.26 -5.05 117.12 106.60 1gx3 n MET 3 Ca 0.00 -0.76 -0.26 0.00 0.00 0.00 0.00 57.70 56.67 1gx3 n MET 3 Cb 0.00 -1.50 -0.17 0.00 0.00 0.00 0.00 33.22 31.55 1gx3 n MET 3 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 1gx3 s ASP 4 N -2.10 2.49 0.00 7.83 -1.08 -1.26 -5.01 116.67 117.55 1gx3 s ASP 4 Ca 0.37 -0.67 0.25 0.00 -0.52 0.00 0.00 52.55 51.98 1gx3 s ASP 4 Cb -0.06 -0.33 0.46 0.00 -1.46 0.00 0.00 42.92 41.52 1gx3 s ASP 4 CO 0.32 -0.34 1.41 0.18 0.52 0.00 0.00 175.17 177.26 1gx3 n LEU 5 N 5.22 2.56 -0.09 -1.34 4.77 -1.26 -4.55 117.00 122.31 1gx3 n LEU 5 Ca -0.07 -0.87 -0.12 0.00 -0.03 0.00 0.00 56.01 54.92 1gx3 n LEU 5 Cb 0.48 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1gx3 n LEU 5 CO 0.11 0.43 0.56 1.23 -1.33 0.00 0.00 177.39 178.39 1gx3 h GLY 6 N 4.75 -0.72 0.40 -0.72 0.00 -1.98 0.40 103.07 105.20 1gx3 h GLY 6 Ca 0.00 0.58 0.11 0.00 0.00 0.00 0.00 47.33 48.02 1gx3 h GLY 6 CO 0.00 -0.18 0.39 -1.33 0.00 0.00 0.00 176.54 175.42 1gx3 h GLY 7 N -0.41 1.19 1.25 4.60 0.00 -2.00 -0.49 103.07 107.21 1gx3 h GLY 7 Ca 0.10 -0.24 -0.13 0.00 0.00 0.00 0.00 47.33 47.06 1gx3 h GLY 7 CO -0.53 0.04 -0.26 -1.82 0.00 0.00 0.00 176.54 173.98 1gx3 h TYR 8 N 0.64 0.98 -0.46 5.60 3.20 -1.20 -0.37 116.97 125.36 1gx3 h TYR 8 Ca 0.39 -0.24 -0.11 0.00 3.14 0.00 0.00 58.73 61.91 1gx3 h TYR 8 Cb 0.45 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1gx3 h TYR 8 CO -0.10 1.01 -0.15 -0.07 -1.64 0.00 0.00 178.16 177.21 1gx3 h LEU 9 N 0.73 0.93 -0.90 2.82 3.38 0.34 -1.55 115.31 121.06 1gx3 h LEU 9 Ca 0.09 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1gx3 h LEU 9 Cb 0.80 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1gx3 h LEU 9 CO 0.07 1.09 0.50 0.74 0.09 0.00 0.00 178.44 180.93 1gx3 h THR 10 N 0.75 1.26 -0.67 0.22 2.02 -0.97 0.44 112.91 115.95 1gx3 h THR 10 Ca 0.11 -0.63 -0.04 0.00 0.77 0.00 0.00 66.41 66.62 1gx3 h THR 10 Cb 0.71 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 1gx3 h THR 10 CO 0.05 0.29 0.27 -0.09 0.37 0.00 0.00 175.52 176.41 1gx3 h ARG 11 N 1.26 0.99 -0.44 6.66 9.65 -0.70 -2.27 114.38 129.53 1gx3 h ARG 11 Ca 0.32 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 59.04 1gx3 h ARG 11 Cb 0.02 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.43 1gx3 h ARG 11 CO -0.05 0.80 0.00 0.44 2.80 0.00 0.00 179.97 183.96 1gx3 n ILE 12 N -4.30 0.57 -2.70 1.20 -5.35 -0.62 -4.87 119.36 103.30 1gx3 n ILE 12 Ca 0.06 -0.76 -0.08 0.00 -0.27 0.00 0.00 62.75 61.70 1gx3 n ILE 12 Cb 0.17 0.85 0.04 0.00 -1.74 0.00 0.00 39.64 38.96 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 1.51 0.16 3.37 3.28 0.00 0.02 -4.69 105.19 108.83 1gx3 n GLY 13 Ca 0.20 -0.25 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.81 2.38 0.00 0.99 1.43 -0.45 -5.02 118.68 114.20 1gx3 s LEU 14 Ca 0.06 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 1gx3 s LEU 14 Cb -0.03 -1.04 0.00 0.00 0.03 0.00 0.00 46.19 45.15 1gx3 s LEU 14 CO 0.31 0.08 0.00 0.47 0.23 0.00 0.00 176.35 177.44 1gx3 n ASP 15 N 0.57 0.00 -3.02 2.29 8.00 -1.26 -4.18 116.55 118.94 1gx3 n ASP 15 Ca -0.15 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.20 1gx3 n ASP 15 Cb 0.55 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.77 1gx3 n ASP 15 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gx3 n GLY 16 N 2.73 -2.50 3.45 0.44 0.00 -1.26 -4.95 105.19 103.11 1gx3 n GLY 16 Ca 0.00 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 1gx3 n GLY 16 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1gx3 s ARG 17 N -4.26 3.04 0.55 1.61 1.70 -1.26 -5.03 118.95 115.30 1gx3 s ARG 17 Ca 0.36 -0.96 -0.20 0.00 -0.47 0.00 0.00 55.73 54.45 1gx3 s ARG 17 Cb -0.03 -4.02 -0.07 0.00 -0.57 0.00 0.00 34.95 30.25 1gx3 s ARG 17 CO 0.27 -0.91 0.90 -2.30 -1.08 0.00 0.00 175.30 172.18 1gx3 n PRO 18 N 5.49 0.96 -2.16 3.89 -0.02 -1.26 -4.99 135.00 136.91 1gx3 n PRO 18 Ca -0.09 0.36 -0.32 0.00 -2.02 0.00 0.00 63.50 61.43 1gx3 n PRO 18 Cb 0.46 -2.06 -0.01 0.00 -0.02 0.00 0.00 33.50 31.88 1gx3 n PRO 18 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1gx3 s ARG 19 N -2.44 3.59 -1.24 -0.52 0.52 -1.26 -4.96 118.95 112.64 1gx3 s ARG 19 Ca 0.71 1.05 -0.10 0.00 -0.52 0.00 0.00 55.73 56.87 1gx3 s ARG 19 Cb -0.46 -2.08 0.19 0.00 0.52 0.00 0.00 34.95 33.12 1gx3 s ARG 19 CO 0.51 -0.58 1.68 -0.35 0.02 0.00 0.00 175.30 176.58 1gx3 n PRO 20 N -1.95 3.63 -4.32 3.54 -0.05 -1.26 -4.64 135.00 129.95 1gx3 n PRO 20 Ca 0.08 -3.76 -0.24 0.00 -0.05 0.00 0.00 63.50 59.53 1gx3 n PRO 20 Cb 0.53 -2.90 -0.07 0.00 -0.05 0.00 0.00 33.50 31.01 1gx3 n PRO 20 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 175.50 175.05 1gx3 n ASP 21 N 4.09 1.05 -0.10 3.54 5.68 -1.26 -3.76 116.55 125.79 1gx3 n ASP 21 Ca 0.37 -3.12 -0.02 0.00 -0.50 0.00 0.00 54.79 51.53 1gx3 n ASP 21 Cb 0.38 1.06 0.23 0.00 -1.14 0.00 0.00 41.12 41.65 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 0.70 -0.71 -2.12 5.85 -1.91 -2.72 115.31 114.41 1gx3 h LEU 22 Ca -0.30 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.26 1gx3 h LEU 22 Cb 1.18 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 1gx3 h LEU 22 CO 0.48 0.68 0.27 1.23 -0.34 0.00 0.00 178.44 180.76 1gx3 h GLY 23 N 0.92 1.15 1.01 3.75 0.00 -1.97 -2.80 103.07 105.14 1gx3 h GLY 23 Ca 0.17 -0.64 0.01 0.00 0.00 0.00 0.00 47.33 46.87 1gx3 h GLY 23 CO -0.01 0.60 0.66 -0.84 0.00 0.00 0.00 176.54 176.95 1gx3 h THR 24 N 1.02 1.26 -0.36 4.70 2.02 -1.75 -1.73 112.91 118.07 1gx3 h THR 24 Ca 0.23 -0.48 -0.05 0.00 0.77 0.00 0.00 66.41 66.88 1gx3 h THR 24 Cb 0.23 -0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.42 1gx3 h THR 24 CO -0.02 0.25 -0.00 0.25 0.37 0.00 0.00 175.52 176.37 1gx3 h LEU 25 N 1.36 0.54 -0.38 2.58 5.85 -1.37 0.31 115.31 124.20 1gx3 h LEU 25 Ca 0.37 -0.11 -0.18 0.00 0.84 0.00 0.00 57.88 58.80 1gx3 h LEU 25 Cb -0.15 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.74 1gx3 h LEU 25 CO -0.08 0.61 -0.54 0.45 -0.34 0.00 0.00 178.44 178.54 1gx3 h HIS 26 N 0.55 0.96 -0.19 1.25 3.86 -1.13 -1.87 115.15 118.57 1gx3 h HIS 26 Ca 0.12 -0.34 -0.00 0.00 -1.16 0.00 0.00 60.37 58.98 1gx3 h HIS 26 Cb 0.36 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 1gx3 h HIS 26 CO 0.01 1.13 0.10 0.00 0.86 0.00 0.00 177.93 180.04 1gx3 h ALA 27 N 0.80 0.24 -0.26 2.45 0.00 -0.43 -2.33 119.26 119.72 1gx3 h ALA 27 Ca 0.01 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1gx3 h ALA 27 Cb 1.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1gx3 h ALA 27 CO 0.11 -0.23 -0.20 0.82 0.00 0.00 0.00 179.25 179.76 1gx3 h ILE 28 N 0.20 1.31 -0.52 0.00 2.04 -0.32 -1.90 117.51 118.33 1gx3 h ILE 28 Ca 0.07 -1.34 0.08 0.00 1.00 0.00 0.00 64.86 64.67 1gx3 h ILE 28 Cb 0.06 1.60 -0.06 0.00 -0.74 0.00 0.00 36.82 37.67 1gx3 h ILE 28 CO -0.01 0.42 0.16 0.58 0.00 0.00 0.00 178.15 179.30 1gx3 h VAL 29 N 0.32 0.78 -0.37 1.67 2.07 -1.34 0.62 116.25 120.00 1gx3 h VAL 29 Ca 0.05 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1gx3 h VAL 29 Cb 0.74 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1gx3 h VAL 29 CO 0.05 0.06 0.09 0.00 0.02 0.00 0.00 177.57 177.80 1gx3 h ALA 30 N 1.37 0.48 -0.25 1.67 0.00 -1.34 -1.08 119.26 120.11 1gx3 h ALA 30 Ca 0.26 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1gx3 h ALA 30 Cb 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1gx3 h ALA 30 CO -0.29 0.15 0.12 0.00 0.00 0.00 0.00 179.25 179.23 1gx3 h ALA 31 N 0.94 0.32 0.14 0.00 0.00 -1.03 -2.67 119.26 116.96 1gx3 h ALA 31 Ca 0.12 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1gx3 h ALA 31 Cb 0.29 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1gx3 h ALA 31 CO 0.00 -0.11 -0.33 1.25 0.00 0.00 0.00 179.25 180.06 1gx3 h HIS 32 N 0.27 -0.91 -0.87 0.00 6.17 0.41 -2.15 115.15 118.07 1gx3 h HIS 32 Ca 0.09 0.02 0.17 0.00 0.71 0.00 0.00 60.37 61.36 1gx3 h HIS 32 Cb 0.13 0.38 -0.16 0.00 2.52 0.00 0.00 27.41 30.28 1gx3 h HIS 32 CO -0.02 -0.44 -0.23 -0.91 0.71 0.00 0.00 177.93 177.04 1gx3 h ASN 33 N -0.57 -0.87 0.91 3.26 2.35 -1.10 -1.24 115.58 118.33 1gx3 h ASN 33 Ca 0.03 0.26 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1gx3 h ASN 33 Cb 0.59 0.56 0.00 0.00 0.05 0.00 0.00 38.32 39.52 1gx3 h ASN 33 CO -0.19 -0.29 -0.35 -2.11 -1.65 0.00 0.00 177.43 172.85 1gx3 n ARG 34 N -5.55 0.15 -0.10 0.81 1.85 -1.02 -3.28 116.66 109.52 1gx3 n ARG 34 Ca 0.13 0.07 -0.11 0.00 -1.00 0.00 0.00 57.85 56.93 1gx3 n ARG 34 Cb 0.43 -1.62 -0.12 0.00 -1.05 0.00 0.00 32.46 30.10 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 -1.86 1.31 -4.01 2.89 7.64 -0.56 -4.90 113.62 114.14 1gx3 n SER 35 Ca 0.05 -0.05 -0.31 0.00 1.01 0.00 0.00 58.87 59.58 1gx3 n SER 35 Cb 0.39 0.42 -0.16 0.00 -1.01 0.00 0.00 64.21 63.85 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 1.68 0.59 0.44 1.01 -0.68 -4.98 121.20 116.83 1gx3 s ILE 36 Ca -0.17 -0.98 -0.09 0.00 0.00 0.00 0.00 60.65 59.41 1gx3 s ILE 36 Cb 0.06 -1.72 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 1gx3 s ILE 36 CO 0.64 0.22 0.96 -2.16 0.00 0.00 0.00 174.94 174.60 1gx3 s PRO 37 N 1.39 3.36 0.11 2.79 0.04 -1.26 -4.75 135.00 136.68 1gx3 s PRO 37 Ca -0.00 0.44 -0.30 0.00 0.04 0.00 0.00 61.00 61.18 1gx3 s PRO 37 Cb -0.16 -2.18 -0.06 0.00 0.04 0.00 0.00 34.50 32.14 1gx3 s PRO 37 CO -0.09 -0.57 1.07 0.12 0.04 0.00 0.00 177.00 177.57 1gx3 s PHE 38 N -3.06 3.63 -0.05 0.56 5.36 0.35 -2.79 117.98 121.97 1gx3 s PHE 38 Ca 0.53 1.61 -0.30 0.00 -0.96 0.00 0.00 56.93 57.81 1gx3 s PHE 38 Cb -0.11 -3.22 0.08 0.00 -0.34 0.00 0.00 43.02 39.42 1gx3 s PHE 38 CO 0.50 -0.44 0.71 -1.83 -1.46 0.00 0.00 175.22 172.69 1gx3 s GLU 39 N 0.23 1.03 -0.20 10.12 4.04 0.40 -0.71 118.70 133.61 1gx3 s GLU 39 Ca 0.51 0.20 0.13 0.00 0.04 0.00 0.00 54.97 55.85 1gx3 s GLU 39 Cb -0.27 0.48 0.43 0.00 0.02 0.00 0.00 34.13 34.80 1gx3 s GLU 39 CO 0.31 -0.33 1.20 0.27 -1.84 0.00 0.00 175.26 174.87 1gx3 n ASN 40 N 0.80 2.19 -0.35 0.83 6.94 -1.08 -3.18 115.26 121.42 1gx3 n ASN 40 Ca -0.18 -3.50 0.06 0.00 -0.02 0.00 0.00 54.58 50.94 1gx3 n ASN 40 Cb 0.58 -0.46 0.22 0.00 -2.36 0.00 0.00 39.78 37.76 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 1.29 0.88 0.59 -4.53 3.38 -1.93 -1.28 115.31 113.70 1gx3 h LEU 41 Ca 0.03 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1gx3 h LEU 41 Cb 1.25 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1gx3 h LEU 41 CO 0.16 0.47 -0.44 0.44 0.09 0.00 0.00 178.44 179.17 1gx3 h ASP 42 N 0.96 -1.15 -0.51 -0.43 5.19 -1.89 -1.87 116.42 116.72 1gx3 h ASP 42 Ca 0.48 0.08 0.01 0.00 -0.62 0.00 0.00 57.03 56.97 1gx3 h ASP 42 Cb 0.46 0.36 -0.03 0.00 0.18 0.00 0.00 39.33 40.30 1gx3 h ASP 42 CO -0.26 -0.63 0.34 -0.65 -3.12 0.00 0.00 179.24 174.92 1gx3 h PRO 43 N -0.99 0.67 -0.71 3.56 0.11 -1.28 -0.26 132.00 133.11 1gx3 h PRO 43 Ca -0.08 -0.04 0.10 0.00 0.11 0.00 0.00 66.00 66.10 1gx3 h PRO 43 Cb 0.82 -0.15 -0.08 0.00 0.11 0.00 0.00 31.00 31.70 1gx3 h PRO 43 CO 0.03 0.44 0.33 1.25 -0.21 0.00 0.00 178.00 179.84 1gx3 h LEU 44 N 0.69 0.40 -1.17 2.35 5.85 -1.12 -2.25 115.31 120.06 1gx3 h LEU 44 Ca 0.19 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1gx3 h LEU 44 Cb -0.08 0.01 0.00 0.00 0.37 0.00 0.00 40.66 40.96 1gx3 h LEU 44 CO -0.04 0.21 0.00 0.18 -0.34 0.00 0.00 178.44 178.45 1gx3 n LEU 45 N -4.91 1.69 0.00 2.25 4.77 -0.42 -4.91 117.00 115.48 1gx3 n LEU 45 Ca 0.12 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 1gx3 n LEU 45 Cb 0.31 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1gx3 n LEU 45 CO 0.23 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 1gx3 n GLY 46 N 0.89 0.38 3.23 -0.72 0.00 -0.85 -5.03 105.19 103.09 1gx3 n GLY 46 Ca 0.10 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.74 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 3.52 0.80 -0.61 1.01 -0.24 -4.99 121.20 118.69 1gx3 s ILE 47 Ca 0.00 -1.34 -0.13 0.00 0.00 0.00 0.00 60.65 59.19 1gx3 s ILE 47 Cb 0.00 -3.06 0.08 0.00 0.01 0.00 0.00 42.46 39.48 1gx3 s ILE 47 CO 0.00 -0.24 1.16 -2.84 0.00 0.00 0.00 174.94 173.02 1gx3 s PRO 48 N 1.33 1.78 -0.68 2.79 0.02 -1.26 -2.43 135.00 136.55 1gx3 s PRO 48 Ca -0.01 1.58 -0.08 0.00 0.02 0.00 0.00 61.00 62.51 1gx3 s PRO 48 Cb -0.20 -1.81 0.18 0.00 0.02 0.00 0.00 34.50 32.69 1gx3 s PRO 48 CO 0.01 -2.07 0.55 0.08 -0.33 0.00 0.00 177.00 175.24 1gx3 s VAL 49 N -2.38 4.49 -0.07 3.83 1.01 -1.26 -4.87 120.40 121.16 1gx3 s VAL 49 Ca 0.69 -2.63 0.11 0.00 0.00 0.00 0.00 61.98 60.15 1gx3 s VAL 49 Cb -0.25 -3.86 -0.16 0.00 0.00 0.00 0.00 36.38 32.11 1gx3 s VAL 49 CO 0.51 -0.92 0.14 0.00 0.00 0.00 0.00 175.10 174.83 1gx3 n ALA 50 N 3.84 2.07 -3.31 5.51 0.00 -1.26 -3.87 120.51 123.48 1gx3 n ALA 50 Ca 0.08 -0.52 -0.37 0.00 0.00 0.00 0.00 53.44 52.63 1gx3 n ALA 50 Cb 0.42 -0.19 -0.13 0.00 0.00 0.00 0.00 19.45 19.55 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 -3.90 5.10 -0.27 0.00 -1.08 -1.26 -4.83 116.67 110.43 1gx3 s ASP 51 Ca -0.05 -0.98 0.11 0.00 -0.52 0.00 0.00 52.55 51.11 1gx3 s ASP 51 Cb 0.05 -1.83 0.56 0.00 -1.46 0.00 0.00 42.92 40.24 1gx3 s ASP 51 CO 0.48 -0.25 1.54 0.18 0.52 0.00 0.00 175.17 177.63 1gx3 n LEU 52 N 4.79 4.56 -4.78 -1.34 4.77 -1.26 -4.65 117.00 119.09 1gx3 n LEU 52 Ca -0.14 -3.41 -0.33 0.00 -0.03 0.00 0.00 56.01 52.10 1gx3 n LEU 52 Cb 0.46 -0.64 0.05 0.00 -2.33 0.00 0.00 43.42 40.96 1gx3 n LEU 52 CO 0.30 0.97 0.73 -0.94 -1.33 0.00 0.00 177.39 177.12 1gx3 s SER 53 N -2.00 5.18 0.22 -1.43 1.04 -1.26 -4.89 113.70 110.56 1gx3 s SER 53 Ca 0.46 1.92 -0.08 0.00 0.48 0.00 0.00 55.95 58.73 1gx3 s SER 53 Cb 0.40 -2.54 0.26 0.00 0.10 0.00 0.00 66.02 64.24 1gx3 s SER 53 CO 0.06 -1.58 1.84 0.00 0.98 0.00 0.00 173.24 174.54 1gx3 h ALA 54 N -0.08 1.01 -0.47 5.32 0.00 -1.94 -1.67 119.26 121.42 1gx3 h ALA 54 Ca -0.46 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.49 1gx3 h ALA 54 Cb 1.24 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1gx3 h ALA 54 CO 0.55 0.19 0.22 0.93 0.00 0.00 0.00 179.25 181.13 1gx3 h GLU 55 N 0.85 0.41 -0.05 0.00 3.07 -1.98 -0.50 114.58 116.38 1gx3 h GLU 55 Ca 0.32 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.15 1gx3 h GLU 55 Cb 0.13 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1gx3 h GLU 55 CO -0.16 0.27 0.00 0.00 -1.40 0.00 0.00 179.01 177.73 1gx3 h ALA 56 N 1.27 0.07 -0.23 3.43 0.00 -1.81 -2.46 119.26 119.53 1gx3 h ALA 56 Ca 0.21 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1gx3 h ALA 56 Cb 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1gx3 h ALA 56 CO -0.17 -0.27 -0.09 -0.07 0.00 0.00 0.00 179.25 178.65 1gx3 h LEU 57 N -0.21 0.48 -0.59 0.00 3.38 -1.06 -2.05 115.31 115.27 1gx3 h LEU 57 Ca 0.01 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 1gx3 h LEU 57 Cb 0.33 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1gx3 h LEU 57 CO 0.00 0.76 0.35 -0.26 0.09 0.00 0.00 178.44 179.39 1gx3 h PHE 58 N 0.20 0.78 -0.52 1.13 -1.00 -1.20 -1.19 116.94 115.13 1gx3 h PHE 58 Ca 0.06 -0.00 0.10 0.00 2.81 0.00 0.00 57.97 60.93 1gx3 h PHE 58 Cb 0.57 -0.26 -0.08 0.00 3.61 0.00 0.00 35.95 39.80 1gx3 h PHE 58 CO 0.06 0.53 0.07 0.00 -1.61 0.00 0.00 178.31 177.36 1gx3 h ALA 59 N 1.18 0.56 0.08 2.45 0.00 -1.28 -0.91 119.26 121.35 1gx3 h ALA 59 Ca 0.21 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1gx3 h ALA 59 Cb -0.02 0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1gx3 h ALA 59 CO -0.04 -0.34 -0.04 -0.22 0.00 0.00 0.00 179.25 178.61 1gx3 h LYS 60 N 0.19 -0.11 0.00 0.00 3.64 -1.20 -0.19 116.57 118.90 1gx3 h LYS 60 Ca 0.27 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.55 1gx3 h LYS 60 Cb 0.39 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1gx3 h LYS 60 CO -0.38 0.16 -0.49 -0.07 -2.27 0.00 0.00 179.45 176.39 1gx3 h LEU 61 N -1.00 0.00 0.00 5.20 4.07 -1.29 -2.64 115.31 119.65 1gx3 h LEU 61 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1gx3 h LEU 61 Cb 0.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1gx3 h LEU 61 CO 0.02 0.49 -0.39 0.52 -1.08 0.00 0.00 178.44 178.01 1gx3 n VAL 62 N -3.47 0.79 0.04 1.22 0.31 -0.45 -4.26 118.33 112.52 1gx3 n VAL 62 Ca 0.00 0.28 -0.01 0.00 -0.01 0.00 0.00 64.34 64.60 1gx3 n VAL 62 Cb 0.62 -1.78 0.29 0.00 -0.91 0.00 0.00 33.84 32.06 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 -0.39 0.40 -0.01 4.52 3.32 -1.04 -2.73 116.42 120.49 1gx3 h ASP 63 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.95 1gx3 h ASP 63 Cb 0.39 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1gx3 h ASP 63 CO 0.00 0.57 -0.25 0.54 -1.72 0.00 0.00 179.24 178.38 1gx3 n ARG 64 N -4.21 1.67 -3.89 3.56 1.74 -0.11 -4.97 116.66 110.46 1gx3 n ARG 64 Ca 0.00 -1.35 -0.29 0.00 -0.77 0.00 0.00 57.85 55.44 1gx3 n ARG 64 Cb 0.32 -1.47 0.03 0.00 -1.02 0.00 0.00 32.46 30.31 1gx3 n ARG 64 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1gx3 n ARG 65 N 0.52 -5.47 -3.02 5.56 1.74 -1.03 -4.64 116.66 110.31 1gx3 n ARG 65 Ca 0.12 0.60 -0.17 0.00 -0.77 0.00 0.00 57.85 57.63 1gx3 n ARG 65 Cb 0.51 -5.45 0.01 0.00 -1.02 0.00 0.00 32.46 26.52 1gx3 n ARG 65 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1gx3 s ARG 66 N -6.54 2.78 0.00 5.56 1.81 -1.00 -2.17 118.95 119.40 1gx3 s ARG 66 Ca 0.57 -1.28 0.00 0.00 -1.72 0.00 0.00 55.73 53.30 1gx3 s ARG 66 Cb -0.29 -2.74 0.00 0.00 -0.45 0.00 0.00 34.95 31.47 1gx3 s ARG 66 CO 0.83 -0.31 0.00 0.41 -0.68 0.00 0.00 175.30 175.54 1gx3 n GLY 67 N -1.87 2.62 0.94 -3.53 0.00 -1.26 -4.37 105.19 97.71 1gx3 n GLY 67 Ca 0.08 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 0.77 0.00 -0.02 0.00 -1.12 -4.71 105.19 105.11 1gx3 n GLY 68 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.20 -0.96 -0.18 1.61 -0.00 -1.19 -0.46 117.16 115.78 1gx3 n TYR 69 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.90 57.88 1gx3 n TYR 69 Cb 0.14 0.00 0.08 0.00 -0.00 0.00 0.00 39.34 39.56 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 0.47 0.03 0.01 0.00 -1.99 -1.87 -1.55 116.97 112.08 1gx3 h TYR 71 Ca 0.26 -0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.98 1gx3 h TYR 71 Cb 0.24 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.96 1gx3 h TYR 71 CO -0.13 0.40 -0.01 0.93 -0.00 0.00 0.00 178.16 179.36 1gx3 h GLU 72 N 0.03 -0.02 0.51 4.88 5.08 -1.64 -1.32 114.58 122.10 1gx3 h GLU 72 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1gx3 h GLU 72 Cb 0.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1gx3 h GLU 72 CO 0.05 0.77 -0.35 0.45 -1.00 0.00 0.00 179.01 178.93 1gx3 h HIS 73 N -0.86 -0.93 -0.12 4.33 3.86 -0.95 -1.35 115.15 119.13 1gx3 h HIS 73 Ca -0.00 -0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.09 1gx3 h HIS 73 Cb 0.79 0.34 -0.01 0.00 1.06 0.00 0.00 27.41 29.59 1gx3 h HIS 73 CO 0.21 -0.52 -0.42 -0.91 0.86 0.00 0.00 177.93 177.14 1gx3 h ASN 74 N -0.83 0.29 0.09 2.45 2.35 -1.45 -0.36 115.58 118.12 1gx3 h ASN 74 Ca -0.06 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1gx3 h ASN 74 Cb 0.69 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.98 1gx3 h ASN 74 CO 0.03 0.68 -0.06 1.23 -1.65 0.00 0.00 177.43 177.67 1gx3 h GLY 75 N 1.22 -0.15 0.95 2.83 0.00 -1.23 -0.04 103.07 106.65 1gx3 h GLY 75 Ca 0.02 0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 1gx3 h GLY 75 CO 0.07 -0.07 0.01 -2.00 0.00 0.00 0.00 176.54 174.55 1gx3 h LEU 76 N -0.15 0.01 -0.43 3.11 5.85 -0.97 -2.35 115.31 120.38 1gx3 h LEU 76 Ca -0.00 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1gx3 h LEU 76 Cb 0.13 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 1gx3 h LEU 76 CO 0.00 0.07 0.28 0.25 -0.34 0.00 0.00 178.44 178.69 1gx3 h LEU 77 N -0.04 0.47 -0.80 2.25 5.85 -1.04 -2.03 115.31 119.97 1gx3 h LEU 77 Ca 0.00 -0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.86 1gx3 h LEU 77 Cb 0.05 -0.11 -0.15 0.00 0.37 0.00 0.00 40.66 40.82 1gx3 h LEU 77 CO -0.00 0.34 -0.28 1.23 -0.34 0.00 0.00 178.44 179.39 1gx3 h GLY 78 N 0.56 0.30 0.89 3.75 0.00 -0.65 0.17 103.07 108.09 1gx3 h GLY 78 Ca 0.16 0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.83 1gx3 h GLY 78 CO -0.05 -0.26 0.06 -0.97 0.00 0.00 0.00 176.54 175.32 1gx3 h TYR 79 N -0.04 0.51 0.11 5.60 0.99 -0.87 -2.37 116.97 120.91 1gx3 h TYR 79 Ca 0.34 -0.07 -0.01 0.00 2.00 0.00 0.00 58.73 61.00 1gx3 h TYR 79 Cb 0.59 -0.14 0.00 0.00 1.00 0.00 0.00 36.73 38.18 1gx3 h TYR 79 CO -0.70 0.56 -0.05 0.28 -0.00 0.00 0.00 178.16 178.25 1gx3 h VAL 80 N 0.32 0.92 -0.54 -2.88 2.07 -1.10 -0.72 116.25 114.31 1gx3 h VAL 80 Ca 0.09 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.52 1gx3 h VAL 80 Cb 0.31 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1gx3 h VAL 80 CO 0.00 0.03 0.34 -0.07 0.02 0.00 0.00 177.57 177.89 1gx3 h LEU 81 N -0.20 0.57 -0.37 2.57 3.38 -0.65 -1.97 115.31 118.63 1gx3 h LEU 81 Ca -0.02 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1gx3 h LEU 81 Cb 0.16 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1gx3 h LEU 81 CO 0.03 0.41 0.15 -0.33 0.09 0.00 0.00 178.44 178.78 1gx3 h GLU 82 N 0.69 0.31 0.00 1.13 5.08 -1.29 -1.12 114.58 119.38 1gx3 h GLU 82 Ca 0.21 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1gx3 h GLU 82 Cb -0.03 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1gx3 h GLU 82 CO -0.07 0.21 -0.07 1.49 -1.00 0.00 0.00 179.01 179.57 1gx3 h GLU 83 N 0.32 0.00 0.00 2.33 4.57 -0.46 -1.60 114.58 119.74 1gx3 h GLU 83 Ca 0.17 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1gx3 h GLU 83 Cb 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1gx3 h GLU 83 CO -0.15 0.07 -0.56 1.28 -1.18 0.00 0.00 179.01 178.46 1gx3 n LEU 84 N -3.92 0.71 0.00 1.64 4.77 -0.80 -4.95 117.00 114.44 1gx3 n LEU 84 Ca -0.03 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1gx3 n LEU 84 Cb 0.16 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1gx3 n LEU 84 CO 0.30 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 1gx3 n GLY 85 N 1.34 0.94 3.83 -0.72 0.00 -0.60 -4.12 105.19 105.85 1gx3 n GLY 85 Ca 0.03 0.00 -0.31 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 3.22 -0.13 1.61 0.40 -0.47 -4.80 117.98 115.80 1gx3 s PHE 86 Ca 0.00 1.42 -0.14 0.00 -0.60 0.00 0.00 56.93 57.61 1gx3 s PHE 86 Cb 0.00 -2.87 -0.05 0.00 0.51 0.00 0.00 43.02 40.62 1gx3 s PHE 86 CO 0.00 -1.02 0.32 -2.00 0.70 0.00 0.00 175.22 173.22 1gx3 s GLU 87 N -4.77 4.17 -0.06 0.44 2.12 -0.82 -4.14 118.70 115.65 1gx3 s GLU 87 Ca 0.59 0.17 0.01 0.00 0.36 0.00 0.00 54.97 56.10 1gx3 s GLU 87 Cb -0.13 -3.39 0.02 0.00 0.26 0.00 0.00 34.13 30.89 1gx3 s GLU 87 CO 0.49 0.32 -0.07 0.08 -0.54 0.00 0.00 175.26 175.53 1gx3 s VAL 88 N 0.20 0.80 -0.08 3.70 1.01 -1.26 -0.39 120.40 124.37 1gx3 s VAL 88 Ca 0.19 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.91 1gx3 s VAL 88 Cb -0.14 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 1gx3 s VAL 88 CO 0.06 0.29 -0.08 -1.61 0.00 0.00 0.00 175.10 173.76 1gx3 s GLU 89 N 0.93 2.90 -0.18 2.72 2.02 -0.28 -5.00 118.70 121.81 1gx3 s GLU 89 Ca -0.10 -0.57 -0.16 0.00 0.02 0.00 0.00 54.97 54.15 1gx3 s GLU 89 Cb -0.15 -2.61 -0.04 0.00 0.10 0.00 0.00 34.13 31.43 1gx3 s GLU 89 CO 0.01 0.56 0.39 1.03 0.02 0.00 0.00 175.26 177.27 1gx3 s ARG 90 N -0.54 4.22 0.23 1.61 3.00 -1.26 -1.11 118.95 125.10 1gx3 s ARG 90 Ca 0.08 0.22 0.10 0.00 0.00 0.00 0.00 55.73 56.13 1gx3 s ARG 90 Cb -0.12 -3.50 -0.04 0.00 0.00 0.00 0.00 34.95 31.29 1gx3 s ARG 90 CO 0.02 0.05 -0.10 -0.51 0.00 0.00 0.00 175.30 174.75 1gx3 s LEU 91 N 1.04 2.90 0.23 2.53 1.43 0.40 -0.75 118.68 126.46 1gx3 s LEU 91 Ca 0.20 -0.73 0.11 0.00 -1.03 0.00 0.00 54.13 52.68 1gx3 s LEU 91 Cb -0.14 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.53 1gx3 s LEU 91 CO 0.07 0.06 -0.21 -0.94 0.23 0.00 0.00 176.35 175.56 1gx3 s SER 92 N -3.23 3.36 0.34 2.29 1.04 -1.26 -1.55 113.70 114.70 1gx3 s SER 92 Ca 0.28 -0.94 -0.08 0.00 0.48 0.00 0.00 55.95 55.69 1gx3 s SER 92 Cb -0.07 -0.26 0.02 0.00 0.10 0.00 0.00 66.02 65.81 1gx3 s SER 92 CO 0.16 0.05 0.57 -0.83 0.98 0.00 0.00 173.24 174.17 1gx3 s GLY 93 N -3.05 1.04 -0.14 7.32 0.00 -0.29 -3.67 107.32 108.52 1gx3 s GLY 93 Ca 0.24 -1.21 0.01 0.00 0.00 0.00 0.00 44.72 43.76 1gx3 s GLY 93 CO 0.11 -0.75 -0.16 0.50 0.00 0.00 0.00 173.10 172.81 1gx3 s ARG 94 N -2.95 3.24 -0.13 2.90 0.52 0.00 -1.96 118.95 120.58 1gx3 s ARG 94 Ca 0.25 -0.75 -0.27 0.00 -0.52 0.00 0.00 55.73 54.44 1gx3 s ARG 94 Cb -0.02 -2.57 -0.02 0.00 0.52 0.00 0.00 34.95 32.86 1gx3 s ARG 94 CO 0.16 0.11 0.90 0.08 0.02 0.00 0.00 175.30 176.57 1gx3 s VAL 95 N 0.59 4.86 0.00 3.52 1.01 -1.26 -0.93 120.40 128.19 1gx3 s VAL 95 Ca -0.09 1.80 0.00 0.00 0.00 0.00 0.00 61.98 63.69 1gx3 s VAL 95 Cb -0.16 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.01 1gx3 s VAL 95 CO 0.03 0.04 0.56 1.33 0.00 0.00 0.00 175.10 177.06 1gx3 n VAL 96 N 4.53 0.12 -1.65 2.92 0.24 -0.07 -4.78 118.33 119.64 1gx3 n VAL 96 Ca 0.06 -0.56 -0.48 0.00 -2.04 0.00 0.00 64.34 61.32 1gx3 n VAL 96 Cb 0.49 0.94 -0.05 0.00 -1.47 0.00 0.00 33.84 33.76 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 -0.06 2.23 -1.15 6.34 -0.00 -0.93 -1.87 117.44 121.99 1gx3 n TRP 97 Ca 0.00 -0.02 -0.05 0.00 -0.00 0.00 0.00 57.50 57.43 1gx3 n TRP 97 Cb 0.03 -2.67 -0.02 0.00 -0.00 0.00 0.00 31.31 28.65 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 7.13 -1.36 -2.65 5.87 2.81 -1.26 -4.98 117.12 122.67 1gx3 n MET 98 Ca 0.25 0.60 -0.36 0.00 -1.81 0.00 0.00 57.70 56.39 1gx3 n MET 98 Cb 0.31 -4.74 -0.05 0.00 -0.71 0.00 0.00 33.22 28.03 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 -2.12 4.29 0.90 0.03 0.52 -0.78 -5.00 118.95 116.79 1gx3 s ARG 99 Ca 0.00 1.40 -0.11 0.00 -0.52 0.00 0.00 55.73 56.50 1gx3 s ARG 99 Cb 0.00 -2.56 0.14 0.00 0.52 0.00 0.00 34.95 33.05 1gx3 s ARG 99 CO 0.00 -0.01 1.10 0.00 0.02 0.00 0.00 175.30 176.41 1gx3 s ALA 100 N -1.72 1.44 0.63 2.13 0.00 -1.26 -4.94 121.76 118.04 1gx3 s ALA 100 Ca 0.56 0.22 -0.14 0.00 0.00 0.00 0.00 51.96 52.60 1gx3 s ALA 100 Cb -0.19 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 1gx3 s ALA 100 CO 0.24 -2.52 1.07 0.34 0.00 0.00 0.00 175.76 174.89 1gx3 s ASP 101 N -3.07 5.55 -1.61 0.00 2.15 -1.26 -2.41 116.67 116.03 1gx3 s ASP 101 Ca 0.64 1.79 0.00 0.00 0.43 0.00 0.00 52.55 55.42 1gx3 s ASP 101 Cb -0.20 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 1gx3 s ASP 101 CO 0.58 -1.32 0.00 0.47 -0.17 0.00 0.00 175.17 174.73 1gx3 n ASP 102 N -2.39 -5.64 -4.81 -0.34 8.00 -1.26 -4.95 116.55 105.16 1gx3 n ASP 102 Ca 0.09 0.38 -0.33 0.00 0.71 0.00 0.00 54.79 55.63 1gx3 n ASP 102 Cb 0.53 -4.49 -0.06 0.00 -0.02 0.00 0.00 41.12 37.08 1gx3 n ASP 102 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gx3 s ALA 103 N -2.28 3.00 0.75 2.24 0.00 -1.01 -5.02 121.76 119.44 1gx3 s ALA 103 Ca 0.00 0.46 -0.13 0.00 0.00 0.00 0.00 51.96 52.30 1gx3 s ALA 103 Cb 0.00 -3.18 0.05 0.00 0.00 0.00 0.00 23.12 19.99 1gx3 s ALA 103 CO 0.00 0.00 1.13 -1.25 0.00 0.00 0.00 175.76 175.64 1gx3 s PRO 104 N -3.17 2.21 0.05 0.00 0.04 -1.26 -4.90 135.00 127.97 1gx3 s PRO 104 Ca 0.63 1.41 -0.34 0.00 0.04 0.00 0.00 61.00 62.74 1gx3 s PRO 104 Cb -0.11 -1.87 -0.13 0.00 0.04 0.00 0.00 34.50 32.42 1gx3 s PRO 104 CO 0.15 -1.71 1.72 -0.11 0.04 0.00 0.00 177.00 177.08 1gx3 n LEU 105 N -3.14 3.26 -4.80 -3.56 7.94 -1.26 -4.95 117.00 110.50 1gx3 n LEU 105 Ca 0.11 1.03 -0.32 0.00 -1.11 0.00 0.00 56.01 55.72 1gx3 n LEU 105 Cb 0.52 -1.40 0.03 0.00 0.53 0.00 0.00 43.42 43.10 1gx3 n LEU 105 CO 0.50 -0.18 0.72 -2.84 -1.11 0.00 0.00 177.39 174.48 1gx3 s PRO 106 N 2.35 3.03 0.81 1.96 0.02 -1.26 -5.03 135.00 136.88 1gx3 s PRO 106 Ca 0.85 1.17 -0.11 0.00 0.02 0.00 0.00 61.00 62.93 1gx3 s PRO 106 Cb -0.68 -1.99 0.08 0.00 0.02 0.00 0.00 34.50 31.92 1gx3 s PRO 106 CO 0.44 -1.04 1.09 0.00 -0.33 0.00 0.00 177.00 177.16 1gx3 s ALA 107 N -2.63 2.05 -0.51 -1.55 0.00 -1.26 -4.87 121.76 113.00 1gx3 s ALA 107 Ca 0.62 0.20 -0.28 0.00 0.00 0.00 0.00 51.96 52.50 1gx3 s ALA 107 Cb -0.16 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.71 1gx3 s ALA 107 CO 0.44 -1.95 1.43 -0.65 0.00 0.00 0.00 175.76 175.03 1gx3 s GLN 108 N -4.90 3.38 0.00 0.00 -0.21 -1.26 -4.23 119.66 112.44 1gx3 s GLN 108 Ca 0.62 0.64 0.00 0.00 0.02 0.00 0.00 55.36 56.64 1gx3 s GLN 108 Cb -0.18 -4.10 0.00 0.00 1.00 0.00 0.00 33.01 29.74 1gx3 s GLN 108 CO 0.56 -1.83 0.19 0.25 -2.12 0.00 0.00 175.29 172.35 1gx3 n THR 109 N 6.96 0.00 -5.12 -0.19 -2.24 -0.83 -4.78 114.28 108.08 1gx3 n THR 109 Ca 0.14 -0.25 -0.29 0.00 -2.27 0.00 0.00 64.05 61.39 1gx3 n THR 109 Cb 0.49 1.40 -0.16 0.00 -2.10 0.00 0.00 70.33 69.96 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 -0.11 2.03 -0.12 4.78 5.65 -0.86 -4.91 115.29 121.76 1gx3 s HIS 110 Ca 0.00 -0.41 0.02 0.00 0.25 0.00 0.00 55.06 54.93 1gx3 s HIS 110 Cb 0.00 -1.31 -0.00 0.00 -1.18 0.00 0.00 32.58 30.09 1gx3 s HIS 110 CO 0.00 -0.05 -0.20 1.21 -0.65 0.00 0.00 174.74 175.04 1gx3 s ASN 111 N -0.48 3.33 0.27 9.88 3.04 -1.26 -1.14 114.94 128.57 1gx3 s ASN 111 Ca 0.07 -0.52 0.02 0.00 0.04 0.00 0.00 52.86 52.47 1gx3 s ASN 111 Cb -0.09 -1.47 -0.05 0.00 -1.54 0.00 0.00 41.25 38.10 1gx3 s ASN 111 CO -0.00 0.13 0.10 0.68 -3.04 0.00 0.00 177.10 174.97 1gx3 s VAL 112 N 0.53 0.53 -0.01 -5.21 -7.23 -0.59 -4.74 120.40 103.67 1gx3 s VAL 112 Ca -0.13 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.07 1gx3 s VAL 112 Cb -0.17 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.12 1gx3 s VAL 112 CO 0.04 0.00 -0.09 -0.76 -0.31 0.00 0.00 175.10 173.99 1gx3 s LEU 113 N -3.33 3.07 -0.27 1.32 1.43 -0.09 -0.45 118.68 120.36 1gx3 s LEU 113 Ca 0.37 -0.15 -0.05 0.00 -1.03 0.00 0.00 54.13 53.28 1gx3 s LEU 113 Cb 0.07 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.57 1gx3 s LEU 113 CO 0.14 0.30 0.02 -0.55 0.23 0.00 0.00 176.35 176.49 1gx3 s SER 114 N -1.21 4.76 -0.13 2.29 0.15 -0.27 -1.28 113.70 118.01 1gx3 s SER 114 Ca 0.15 -0.68 0.01 0.00 0.70 0.00 0.00 55.95 56.14 1gx3 s SER 114 Cb -0.11 -1.80 -0.01 0.00 -1.71 0.00 0.00 66.02 62.40 1gx3 s SER 114 CO 0.05 -0.14 -0.17 -0.69 1.20 0.00 0.00 173.24 173.49 1gx3 s VAL 115 N 1.45 2.60 0.01 4.45 1.01 0.23 -1.12 120.40 129.03 1gx3 s VAL 115 Ca 0.03 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1gx3 s VAL 115 Cb -0.16 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1gx3 s VAL 115 CO -0.00 0.53 0.08 0.00 0.00 0.00 0.00 175.10 175.71 1gx3 s ALA 116 N 0.52 3.57 -0.14 5.51 0.00 0.48 -0.18 121.76 131.52 1gx3 s ALA 116 Ca -0.11 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 50.92 1gx3 s ALA 116 Cb -0.16 -1.54 0.05 0.00 0.00 0.00 0.00 23.12 21.47 1gx3 s ALA 116 CO 0.04 0.70 0.03 0.08 0.00 0.00 0.00 175.76 176.62 1gx3 s VAL 117 N -1.23 0.33 -0.10 0.00 1.01 -1.26 -1.95 120.40 117.20 1gx3 s VAL 117 Ca 0.24 -0.19 -0.39 0.00 0.00 0.00 0.00 61.98 61.64 1gx3 s VAL 117 Cb -0.12 -0.72 -0.17 0.00 0.00 0.00 0.00 36.38 35.37 1gx3 s VAL 117 CO 0.16 -0.03 1.48 -2.65 0.00 0.00 0.00 175.10 174.06 1gx3 n PRO 118 N 5.14 0.97 0.00 2.72 -0.02 -1.25 -1.49 135.00 141.07 1gx3 n PRO 118 Ca -0.08 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1gx3 n PRO 118 Cb 0.49 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 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 3.15 0.26 3.42 -1.23 0.00 -1.26 -4.62 105.19 104.90 1gx3 n GLY 119 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 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 2.47 0.07 4.61 0.00 -0.55 -5.07 121.76 121.27 1gx3 s ALA 120 Ca 0.00 -1.33 -0.15 0.00 0.00 0.00 0.00 51.96 50.48 1gx3 s ALA 120 Cb 0.00 -0.55 -0.19 0.00 0.00 0.00 0.00 23.12 22.38 1gx3 s ALA 120 CO 0.00 0.56 1.23 -0.44 0.00 0.00 0.00 175.76 177.10 1gx3 h ASP 121 N 4.23 0.81 -0.50 0.00 3.32 -1.98 -3.43 116.42 118.87 1gx3 h ASP 121 Ca -0.49 -0.68 0.00 0.00 0.02 0.00 0.00 57.03 55.88 1gx3 h ASP 121 Cb 1.16 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.47 1gx3 h ASP 121 CO 0.44 1.37 0.00 0.61 -1.72 0.00 0.00 179.24 179.93 1gx3 n GLY 122 N 0.86 5.87 3.66 2.75 0.00 -1.26 -5.06 105.19 112.01 1gx3 n GLY 122 Ca -0.09 -1.91 -0.25 0.00 0.00 0.00 0.00 46.02 43.77 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 1.75 2.13 -0.09 1.61 0.52 -1.26 -4.46 118.95 119.15 1gx3 s ARG 123 Ca 0.00 -1.76 0.04 0.00 -0.52 0.00 0.00 55.73 53.49 1gx3 s ARG 123 Cb 0.00 -1.95 0.00 0.00 0.52 0.00 0.00 34.95 33.52 1gx3 s ARG 123 CO 0.00 0.08 -0.22 0.71 0.02 0.00 0.00 175.30 175.89 1gx3 s TYR 124 N -2.53 2.38 -0.04 -0.53 1.51 0.75 -1.03 117.35 117.86 1gx3 s TYR 124 Ca 0.36 -0.93 -0.28 0.00 -1.01 0.00 0.00 57.07 55.21 1gx3 s TYR 124 Cb 0.01 -1.60 -0.03 0.00 -0.11 0.00 0.00 41.96 40.23 1gx3 s TYR 124 CO 0.20 -0.37 0.91 -1.17 -1.11 0.00 0.00 175.55 174.01 1gx3 s LEU 125 N 0.32 4.32 -0.08 -1.29 2.96 0.13 -0.60 118.68 124.45 1gx3 s LEU 125 Ca -0.16 1.50 0.02 0.00 -0.22 0.00 0.00 54.13 55.26 1gx3 s LEU 125 Cb -0.17 -3.43 0.02 0.00 0.50 0.00 0.00 46.19 43.10 1gx3 s LEU 125 CO 0.08 -0.27 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.03 1gx3 s VAL 126 N 1.21 1.15 -0.27 1.68 1.01 -0.41 -1.74 120.40 123.03 1gx3 s VAL 126 Ca 0.47 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.99 1gx3 s VAL 126 Cb -0.19 -1.07 0.15 0.00 0.00 0.00 0.00 36.38 35.27 1gx3 s VAL 126 CO 0.23 0.36 0.40 -0.62 0.00 0.00 0.00 175.10 175.48 1gx3 s ASP 127 N 0.86 0.26 0.00 3.32 2.15 -1.26 -0.92 116.67 121.08 1gx3 s ASP 127 Ca -0.11 -0.07 0.17 0.00 0.43 0.00 0.00 52.55 52.97 1gx3 s ASP 127 Cb -0.15 1.15 0.40 0.00 -0.30 0.00 0.00 42.92 44.02 1gx3 s ASP 127 CO 0.01 -0.33 1.32 1.33 -0.17 0.00 0.00 175.17 177.34 1gx3 n VAL 128 N 5.36 0.77 0.04 1.11 0.24 -1.26 -2.77 118.33 121.82 1gx3 n VAL 128 Ca -0.01 -0.89 0.04 0.00 -2.04 0.00 0.00 64.34 61.44 1gx3 n VAL 128 Cb 0.50 0.70 0.07 0.00 -1.47 0.00 0.00 33.84 33.64 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 1.07 1.48 0.10 7.63 0.00 -1.26 -4.68 105.19 109.54 1gx3 n GLY 129 Ca 0.16 -0.23 0.15 0.00 0.00 0.00 0.00 46.02 46.10 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 0.26 0.00 -1.50 1.61 7.35 -1.26 -2.97 117.46 120.95 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 0.30 -0.10 0.00 0.00 0.35 0.00 0.00 39.48 40.03 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 1.15 0.20 0.38 7.13 0.00 -1.26 -4.47 105.19 108.33 1gx3 n GLY 131 Ca 0.19 -1.49 0.16 0.00 0.00 0.00 0.00 46.02 44.88 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 0.96 -3.31 -0.02 0.00 -1.92 -1.21 103.07 97.57 1gx3 h GLY 132 Ca 0.00 -0.22 -0.18 0.00 0.00 0.00 0.00 47.33 46.93 1gx3 h GLY 132 CO 0.00 0.04 0.20 -0.18 0.00 0.00 0.00 176.54 176.60 1gx3 n GLN 133 N -4.53 3.57 -1.33 4.80 -0.06 -1.26 -4.75 117.38 113.83 1gx3 n GLN 133 Ca 0.18 -3.08 -0.31 0.00 -2.00 0.00 0.00 57.00 51.78 1gx3 n GLN 133 Cb 0.58 -2.15 0.09 0.00 -4.06 0.00 0.00 30.24 24.70 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 3.27 0.34 1.69 -1.32 -0.46 -4.96 115.64 111.20 1gx3 s THR 134 Ca 0.53 0.44 -0.29 0.00 -1.21 0.00 0.00 61.69 61.16 1gx3 s THR 134 Cb 0.43 -2.92 -0.11 0.00 -1.51 0.00 0.00 72.50 68.39 1gx3 s THR 134 CO 0.12 -0.51 1.43 -0.76 -2.21 0.00 0.00 174.62 172.69 1gx3 s LEU 135 N -5.76 4.37 0.00 9.08 1.43 -1.12 -4.92 118.68 121.75 1gx3 s LEU 135 Ca 0.62 2.87 0.10 0.00 -1.03 0.00 0.00 54.13 56.69 1gx3 s LEU 135 Cb -0.18 -3.65 0.07 0.00 0.03 0.00 0.00 46.19 42.46 1gx3 s LEU 135 CO 0.54 -0.74 0.81 0.35 0.23 0.00 0.00 176.35 177.53 1gx3 n THR 136 N 1.01 0.00 -4.19 5.49 -2.24 -1.26 -4.57 114.28 108.52 1gx3 n THR 136 Ca 0.02 -0.49 -0.11 0.00 -2.27 0.00 0.00 64.05 61.20 1gx3 n THR 136 Cb 0.40 1.21 -0.10 0.00 -2.10 0.00 0.00 70.33 69.74 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 -0.93 1.28 0.64 3.42 0.01 -1.26 -4.29 113.70 112.56 1gx3 s SER 137 Ca 0.12 -1.01 -0.17 0.00 1.31 0.00 0.00 55.95 56.20 1gx3 s SER 137 Cb 0.09 0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.38 1gx3 s SER 137 CO 0.14 -0.44 1.15 -2.16 0.41 0.00 0.00 173.24 172.34 1gx3 s PRO 138 N -3.82 2.81 0.11 12.44 0.04 -1.26 -4.82 135.00 140.50 1gx3 s PRO 138 Ca 0.13 1.60 0.06 0.00 0.04 0.00 0.00 61.00 62.83 1gx3 s PRO 138 Cb 0.05 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1gx3 s PRO 138 CO -0.03 -1.28 -0.15 0.96 0.04 0.00 0.00 177.00 176.54 1gx3 s ILE 139 N -2.00 1.35 0.13 0.56 -4.36 -0.71 -4.99 121.20 111.18 1gx3 s ILE 139 Ca 0.72 -1.62 -0.31 0.00 -0.26 0.00 0.00 60.65 59.18 1gx3 s ILE 139 Cb -0.25 -1.45 -0.10 0.00 1.25 0.00 0.00 42.46 41.92 1gx3 s ILE 139 CO 0.37 -0.33 1.63 -0.13 0.24 0.00 0.00 174.94 176.73 1gx3 s ARG 140 N -2.38 4.19 -1.27 0.37 0.52 -1.26 0.22 118.95 119.33 1gx3 s ARG 140 Ca 0.06 2.39 -0.19 0.00 -0.52 0.00 0.00 55.73 57.48 1gx3 s ARG 140 Cb -0.07 -3.33 0.03 0.00 0.52 0.00 0.00 34.95 32.11 1gx3 s ARG 140 CO 0.03 -0.68 1.79 -1.17 0.02 0.00 0.00 175.30 175.29 1gx3 s LEU 141 N 1.76 3.65 -0.13 2.53 1.98 -0.20 -4.66 118.68 123.61 1gx3 s LEU 141 Ca 0.73 -2.26 -0.05 0.00 -2.89 0.00 0.00 54.13 49.65 1gx3 s LEU 141 Cb -0.43 -2.58 0.06 0.00 0.66 0.00 0.00 46.19 43.90 1gx3 s LEU 141 CO 0.32 -1.64 0.28 -0.70 -1.89 0.00 0.00 176.35 172.72 1gx3 s GLU 142 N 4.78 0.17 0.23 1.98 2.12 -1.26 -4.75 118.70 121.96 1gx3 s GLU 142 Ca 0.57 0.75 -0.29 0.00 0.36 0.00 0.00 54.97 56.37 1gx3 s GLU 142 Cb 0.03 -0.01 -0.09 0.00 0.26 0.00 0.00 34.13 34.32 1gx3 s GLU 142 CO 0.09 -0.27 0.90 0.00 -0.54 0.00 0.00 175.26 175.45 1gx3 s ALA 143 N 2.31 3.36 0.00 6.30 0.00 -1.26 -4.49 121.76 127.98 1gx3 s ALA 143 Ca -0.00 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1gx3 s ALA 143 Cb -0.12 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1gx3 s ALA 143 CO -0.09 0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.31 1gx3 n GLY 144 N 1.46 2.78 3.79 0.00 0.00 0.09 -4.98 105.19 108.33 1gx3 n GLY 144 Ca -0.03 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.89 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 4.39 0.04 1.61 0.04 -1.26 -4.85 135.00 134.96 1gx3 s PRO 145 Ca 0.00 1.31 -0.30 0.00 0.04 0.00 0.00 61.00 62.05 1gx3 s PRO 145 Cb 0.00 -2.57 -0.07 0.00 0.04 0.00 0.00 34.50 31.90 1gx3 s PRO 145 CO 0.00 0.09 1.57 0.08 0.04 0.00 0.00 177.00 178.79 1gx3 s VAL 146 N -1.78 3.29 -0.15 -0.36 1.01 -1.26 -4.43 120.40 116.71 1gx3 s VAL 146 Ca 0.55 0.70 -0.03 0.00 0.00 0.00 0.00 61.98 63.20 1gx3 s VAL 146 Cb -0.17 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 1gx3 s VAL 146 CO 0.22 -0.01 -0.07 -1.10 0.00 0.00 0.00 175.10 174.14 1gx3 s GLN 147 N 2.65 3.58 0.50 2.72 -0.21 -0.23 -4.98 119.66 123.69 1gx3 s GLN 147 Ca 0.71 -0.57 -0.19 0.00 0.02 0.00 0.00 55.36 55.32 1gx3 s GLN 147 Cb -0.37 -2.83 -0.08 0.00 1.00 0.00 0.00 33.01 30.74 1gx3 s GLN 147 CO 0.30 0.23 1.03 -1.14 -2.12 0.00 0.00 175.29 173.59 1gx3 s GLN 148 N 0.37 3.78 0.31 2.91 2.00 -1.26 -0.94 119.66 126.83 1gx3 s GLN 148 Ca -0.06 1.28 0.05 0.00 -2.00 0.00 0.00 55.36 54.62 1gx3 s GLN 148 Cb -0.15 -2.10 -0.02 0.00 0.80 0.00 0.00 33.01 31.55 1gx3 s GLN 148 CO 0.04 -0.44 0.17 0.25 -0.50 0.00 0.00 175.29 174.81 1gx3 n THR 149 N -1.15 0.00 0.21 -0.34 -2.24 -1.25 -4.90 114.28 104.61 1gx3 n THR 149 Ca 0.09 -2.00 0.07 0.00 -2.27 0.00 0.00 64.05 59.94 1gx3 n THR 149 Cb 0.53 0.83 0.34 0.00 -2.10 0.00 0.00 70.33 69.93 1gx3 n THR 149 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1gx3 n ARG 150 N -0.67 0.08 0.00 -0.78 1.74 -1.26 -4.67 116.66 111.10 1gx3 n ARG 150 Ca -0.00 0.49 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 1gx3 n ARG 150 Cb 0.51 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 1gx3 n ARG 150 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1gx3 n HIS 151 N -1.90 0.00 -1.97 -1.55 8.25 -1.26 -5.02 115.22 111.77 1gx3 n HIS 151 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 1gx3 n HIS 151 Cb 0.08 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.20 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 2.47 3.53 0.62 -0.41 8.01 -1.26 -5.05 118.70 126.61 1gx3 s GLU 152 Ca 0.00 0.65 -0.16 0.00 0.01 0.00 0.00 54.97 55.47 1gx3 s GLU 152 Cb 0.00 -2.11 -0.02 0.00 -4.31 0.00 0.00 34.13 27.69 1gx3 s GLU 152 CO 0.00 -0.56 1.10 -2.14 0.01 0.00 0.00 175.26 173.66 1gx3 s PRO 153 N -5.14 3.05 0.17 0.39 0.02 -1.26 -3.90 135.00 128.33 1gx3 s PRO 153 Ca 0.54 1.36 0.02 0.00 0.02 0.00 0.00 61.00 62.95 1gx3 s PRO 153 Cb -0.11 -1.99 -0.05 0.00 0.02 0.00 0.00 34.50 32.38 1gx3 s PRO 153 CO 0.53 -1.04 0.00 0.71 -0.33 0.00 0.00 177.00 176.86 1gx3 s TYR 154 N -2.29 1.21 -0.09 6.54 1.51 -0.11 -1.12 117.35 123.00 1gx3 s TYR 154 Ca 0.67 -1.02 -0.09 0.00 -1.01 0.00 0.00 57.07 55.62 1gx3 s TYR 154 Cb -0.19 -0.69 0.02 0.00 -0.11 0.00 0.00 41.96 40.99 1gx3 s TYR 154 CO 0.38 -0.21 0.25 0.50 -1.11 0.00 0.00 175.55 175.35 1gx3 s ARG 155 N -3.92 0.32 -0.13 -0.62 3.52 0.16 -1.06 118.95 117.21 1gx3 s ARG 155 Ca 0.24 0.29 -0.05 0.00 -0.13 0.00 0.00 55.73 56.08 1gx3 s ARG 155 Cb 0.06 0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.57 1gx3 s ARG 155 CO 0.04 -0.04 0.05 -0.51 -0.81 0.00 0.00 175.30 174.03 1gx3 s LEU 156 N 0.01 3.83 0.33 -0.88 1.43 -1.26 -0.80 118.68 121.33 1gx3 s LEU 156 Ca -0.01 0.18 0.07 0.00 -1.03 0.00 0.00 54.13 53.34 1gx3 s LEU 156 Cb -0.02 -1.92 -0.07 0.00 0.03 0.00 0.00 46.19 44.21 1gx3 s LEU 156 CO 0.01 0.30 -0.03 0.42 0.23 0.00 0.00 176.35 177.28 1gx3 s THR 157 N -0.41 1.78 -0.05 5.49 -4.23 -0.16 -0.73 115.64 117.32 1gx3 s THR 157 Ca 0.09 -2.09 -0.13 0.00 -1.18 0.00 0.00 61.69 58.38 1gx3 s THR 157 Cb -0.12 -2.68 0.02 0.00 1.34 0.00 0.00 72.50 71.06 1gx3 s THR 157 CO 0.02 -0.15 0.29 0.00 -0.54 0.00 0.00 174.62 174.24 1gx3 s ARG 158 N -3.73 0.53 -0.03 3.99 1.70 -1.26 -0.30 118.95 119.86 1gx3 s ARG 158 Ca 0.33 0.02 0.01 0.00 -0.47 0.00 0.00 55.73 55.62 1gx3 s ARG 158 Cb 0.06 0.24 0.02 0.00 -0.57 0.00 0.00 34.95 34.70 1gx3 s ARG 158 CO 0.15 -0.12 -0.03 -1.01 -1.08 0.00 0.00 175.30 173.21 1gx3 s HIS 159 N -0.78 0.49 0.00 5.89 3.76 -0.23 -4.98 115.29 119.44 1gx3 s HIS 159 Ca -0.09 -0.09 0.00 0.00 -0.15 0.00 0.00 55.06 54.73 1gx3 s HIS 159 Cb -0.04 -0.47 0.00 0.00 1.11 0.00 0.00 32.58 33.18 1gx3 s HIS 159 CO 0.03 -0.12 0.00 0.41 -0.85 0.00 0.00 174.74 174.20 1gx3 n GLY 160 N 3.85 2.83 0.74 -2.22 0.00 -1.26 0.04 105.19 109.17 1gx3 n GLY 160 Ca -0.24 0.29 0.09 0.00 0.00 0.00 0.00 46.02 46.16 1gx3 n GLY 160 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gx3 n ASP 161 N 4.83 2.60 -4.65 1.61 8.00 -1.26 -4.97 116.55 122.70 1gx3 n ASP 161 Ca 0.00 -1.76 -0.39 0.00 0.71 0.00 0.00 54.79 53.35 1gx3 n ASP 161 Cb 0.00 -0.06 -0.08 0.00 -0.02 0.00 0.00 41.12 40.96 1gx3 n ASP 161 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1gx3 s ASP 162 N -1.36 6.41 -0.01 -2.24 1.01 0.11 -4.58 116.67 116.01 1gx3 s ASP 162 Ca 0.23 0.49 -0.12 0.00 0.71 0.00 0.00 52.55 53.85 1gx3 s ASP 162 Cb 0.15 -2.24 -0.05 0.00 1.01 0.00 0.00 42.92 41.79 1gx3 s ASP 162 CO 0.22 -0.13 0.35 -1.00 0.21 0.00 0.00 175.17 174.82 1gx3 s HIS 163 N 1.60 3.68 -0.15 4.23 3.76 0.37 -1.07 115.29 127.71 1gx3 s HIS 163 Ca 0.19 0.86 0.01 0.00 -0.15 0.00 0.00 55.06 55.97 1gx3 s HIS 163 Cb -0.15 -2.19 0.00 0.00 1.11 0.00 0.00 32.58 31.35 1gx3 s HIS 163 CO 0.09 0.65 -0.18 0.99 -0.85 0.00 0.00 174.74 175.44 1gx3 s THR 164 N -1.11 2.43 -0.18 1.30 2.01 0.60 -0.38 115.64 120.30 1gx3 s THR 164 Ca 0.23 -0.85 -0.15 0.00 0.31 0.00 0.00 61.69 61.23 1gx3 s THR 164 Cb -0.15 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 1gx3 s THR 164 CO 0.12 0.53 0.34 -0.22 -0.69 0.00 0.00 174.62 174.70 1gx3 s LEU 165 N 0.84 4.20 0.19 4.42 2.96 0.27 -0.99 118.68 130.58 1gx3 s LEU 165 Ca -0.05 0.50 0.11 0.00 -0.22 0.00 0.00 54.13 54.47 1gx3 s LEU 165 Cb -0.15 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 1gx3 s LEU 165 CO -0.01 0.01 -0.22 0.00 -1.32 0.00 0.00 176.35 174.81 1gx3 s ALA 166 N 0.89 2.38 -0.03 5.97 0.00 0.02 -0.11 121.76 130.87 1gx3 s ALA 166 Ca 0.18 -1.62 0.07 0.00 0.00 0.00 0.00 51.96 50.59 1gx3 s ALA 166 Cb -0.14 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 1gx3 s ALA 166 CO 0.06 0.35 -0.23 0.00 0.00 0.00 0.00 175.76 175.94 1gx3 s ALA 167 N -1.88 2.27 -0.60 0.00 0.00 -1.05 -0.67 121.76 119.83 1gx3 s ALA 167 Ca 0.20 -1.08 -0.21 0.00 0.00 0.00 0.00 51.96 50.87 1gx3 s ALA 167 Cb -0.07 -0.66 0.07 0.00 0.00 0.00 0.00 23.12 22.46 1gx3 s ALA 167 CO 0.09 0.51 0.84 -1.14 0.00 0.00 0.00 175.76 176.06 1gx3 s GLN 168 N -0.54 3.13 -0.25 0.00 0.74 -0.27 -1.31 119.66 121.15 1gx3 s GLN 168 Ca 0.08 -0.87 -0.08 0.00 0.05 0.00 0.00 55.36 54.54 1gx3 s GLN 168 Cb -0.11 -4.19 -0.03 0.00 1.10 0.00 0.00 33.01 29.78 1gx3 s GLN 168 CO 0.00 -1.59 0.10 0.08 -0.55 0.00 0.00 175.29 173.33 1gx3 s VAL 169 N 3.47 4.59 -1.52 1.34 1.01 0.46 -4.25 120.40 125.49 1gx3 s VAL 169 Ca 0.20 -0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.02 1gx3 s VAL 169 Cb -0.18 -3.15 0.06 0.00 0.00 0.00 0.00 36.38 33.11 1gx3 s VAL 169 CO 0.11 0.32 0.60 0.54 0.00 0.00 0.00 175.10 176.67 1gx3 n ARG 170 N 4.89 -3.48 0.00 2.72 1.74 -1.26 -0.48 116.66 120.79 1gx3 n ARG 170 Ca -0.16 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 1gx3 n ARG 170 Cb 0.52 -4.82 0.00 0.00 -1.02 0.00 0.00 32.46 27.13 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 -1.75 2.86 3.56 -0.13 0.00 -1.26 -5.00 105.19 103.47 1gx3 n GLY 171 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.30 3.83 -0.17 1.61 2.02 0.37 -5.01 118.70 121.05 1gx3 s GLU 172 Ca 0.00 -0.42 -0.29 0.00 0.02 0.00 0.00 54.97 54.27 1gx3 s GLU 172 Cb 0.00 -3.13 -0.01 0.00 0.10 0.00 0.00 34.13 31.10 1gx3 s GLU 172 CO 0.00 0.20 1.10 -1.58 0.02 0.00 0.00 175.26 175.00 1gx3 s TRP 173 N 0.54 3.25 -0.16 1.61 0.52 -1.26 -0.41 118.94 123.04 1gx3 s TRP 173 Ca 0.01 1.37 0.01 0.00 0.02 0.00 0.00 56.10 57.51 1gx3 s TRP 173 Cb -0.13 -3.32 0.02 0.00 -1.15 0.00 0.00 33.47 28.88 1gx3 s TRP 173 CO 0.02 -0.79 -0.18 -0.65 0.02 0.00 0.00 176.95 175.36 1gx3 s GLN 174 N 2.88 2.70 0.33 4.98 -0.21 -0.43 -4.98 119.66 124.94 1gx3 s GLN 174 Ca 0.49 -0.72 -0.29 0.00 0.02 0.00 0.00 55.36 54.86 1gx3 s GLN 174 Cb -0.18 -2.34 -0.11 0.00 1.00 0.00 0.00 33.01 31.37 1gx3 s GLN 174 CO 0.13 -0.18 1.53 -2.30 -2.12 0.00 0.00 175.29 172.34 1gx3 n PRO 175 N 4.57 2.64 -0.10 2.91 -0.02 -1.26 -2.52 135.00 141.21 1gx3 n PRO 175 Ca -0.19 0.93 -0.21 0.00 -2.02 0.00 0.00 63.50 62.01 1gx3 n PRO 175 Cb 0.50 -2.68 -0.07 0.00 -0.02 0.00 0.00 33.50 31.24 1gx3 n PRO 175 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1gx3 n LEU 176 N 1.34 1.53 -3.48 2.45 4.77 0.84 -3.45 117.00 121.00 1gx3 n LEU 176 Ca 0.05 0.26 -0.11 0.00 -0.03 0.00 0.00 56.01 56.18 1gx3 n LEU 176 Cb 0.37 -0.63 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 1gx3 n LEU 176 CO 0.64 0.34 0.54 -0.72 -1.33 0.00 0.00 177.39 176.86 1gx3 s TYR 177 N -2.43 -0.46 0.20 -1.77 -0.85 -1.16 -0.89 117.35 109.98 1gx3 s TYR 177 Ca -0.29 0.40 0.09 0.00 -0.52 0.00 0.00 57.07 56.74 1gx3 s TYR 177 Cb 0.10 0.53 -0.04 0.00 0.38 0.00 0.00 41.96 42.93 1gx3 s TYR 177 CO 0.37 -0.67 -0.05 0.95 -1.52 0.00 0.00 175.55 174.63 1gx3 s THR 178 N -3.02 3.38 0.13 -3.49 -4.23 -0.10 -0.57 115.64 107.73 1gx3 s THR 178 Ca 0.01 -1.65 -0.23 0.00 -1.18 0.00 0.00 61.69 58.63 1gx3 s THR 178 Cb -0.01 -2.71 0.07 0.00 1.34 0.00 0.00 72.50 71.19 1gx3 s THR 178 CO -0.08 -0.17 0.59 0.72 -0.54 0.00 0.00 174.62 175.14 1gx3 s PHE 179 N -1.84 -0.52 0.32 3.99 -0.12 0.49 -0.82 117.98 119.48 1gx3 s PHE 179 Ca 0.27 0.39 0.08 0.00 -0.05 0.00 0.00 56.93 57.61 1gx3 s PHE 179 Cb -0.08 0.51 -0.03 0.00 -0.63 0.00 0.00 43.02 42.78 1gx3 s PHE 179 CO 0.17 -0.80 0.26 0.95 -0.05 0.00 0.00 175.22 175.75 1gx3 s THR 180 N -3.40 3.57 -0.63 -4.49 -4.23 -1.24 -0.48 115.64 104.75 1gx3 s THR 180 Ca -0.01 -1.43 0.10 0.00 -1.18 0.00 0.00 61.69 59.18 1gx3 s THR 180 Cb -0.01 -3.18 0.55 0.00 1.34 0.00 0.00 72.50 71.21 1gx3 s THR 180 CO -0.10 -0.20 1.36 0.35 -0.54 0.00 0.00 174.62 175.49 1gx3 n THR 181 N -1.31 1.78 -2.20 3.99 -2.24 -1.26 -4.52 114.28 108.52 1gx3 n THR 181 Ca -0.03 -0.93 -0.43 0.00 -2.27 0.00 0.00 64.05 60.39 1gx3 n THR 181 Cb 0.60 -0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.52 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 -2.12 4.12 0.39 -0.78 2.12 -1.26 -4.98 118.70 116.19 1gx3 s GLU 182 Ca 0.37 1.86 -0.27 0.00 0.36 0.00 0.00 54.97 57.29 1gx3 s GLU 182 Cb 0.27 -3.91 -0.10 0.00 0.26 0.00 0.00 34.13 30.66 1gx3 s GLU 182 CO 0.12 -0.88 1.38 -2.14 -0.54 0.00 0.00 175.26 173.19 1gx3 s PRO 183 N 3.96 4.05 -0.11 4.30 0.02 -1.26 -4.57 135.00 141.38 1gx3 s PRO 183 Ca 0.65 2.33 0.00 0.00 0.02 0.00 0.00 61.00 64.01 1gx3 s PRO 183 Cb -0.27 -2.87 -0.02 0.00 0.02 0.00 0.00 34.50 31.36 1gx3 s PRO 183 CO 0.24 -0.49 -0.11 1.03 -0.33 0.00 0.00 177.00 177.33 1gx3 s ARG 184 N -2.13 3.21 0.60 5.54 1.81 0.07 -5.01 118.95 123.04 1gx3 s ARG 184 Ca 0.55 -0.65 -0.15 0.00 -1.72 0.00 0.00 55.73 53.76 1gx3 s ARG 184 Cb -0.42 -2.63 -0.04 0.00 -0.45 0.00 0.00 34.95 31.42 1gx3 s ARG 184 CO 0.55 0.34 1.05 -1.25 -0.68 0.00 0.00 175.30 175.31 1gx3 s PRO 185 N 0.05 3.34 0.31 3.54 0.04 -1.26 -4.61 135.00 136.40 1gx3 s PRO 185 Ca -0.04 1.15 0.07 0.00 0.04 0.00 0.00 61.00 62.23 1gx3 s PRO 185 Cb -0.14 -2.04 0.80 0.00 0.04 0.00 0.00 34.50 33.16 1gx3 s PRO 185 CO 0.04 -0.79 1.76 -0.09 0.04 0.00 0.00 177.00 177.95 1gx3 h ARG 186 N 0.36 0.66 -0.62 4.56 2.43 -1.99 -1.85 114.38 117.93 1gx3 h ARG 186 Ca -0.46 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 58.61 1gx3 h ARG 186 Cb 1.22 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.59 1gx3 h ARG 186 CO 0.58 0.44 0.18 0.97 -1.51 0.00 0.00 179.97 180.63 1gx3 h ILE 187 N 0.68 1.24 -0.41 1.20 6.09 -1.99 -0.10 117.51 124.22 1gx3 h ILE 187 Ca 0.61 -0.83 -0.12 0.00 -1.37 0.00 0.00 64.86 63.15 1gx3 h ILE 187 Cb 1.03 0.56 -0.01 0.00 0.47 0.00 0.00 36.82 38.87 1gx3 h ILE 187 CO -0.42 0.32 -0.22 0.44 -3.07 0.00 0.00 178.15 175.19 1gx3 h ASP 188 N 0.92 0.83 -0.73 2.19 3.32 -1.72 -0.35 116.42 120.88 1gx3 h ASP 188 Ca 0.20 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 1gx3 h ASP 188 Cb 0.28 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 1gx3 h ASP 188 CO -0.01 1.02 0.31 -0.07 -1.72 0.00 0.00 179.24 178.77 1gx3 h LEU 189 N 0.71 1.01 -0.91 1.55 3.38 -1.06 -2.70 115.31 117.28 1gx3 h LEU 189 Ca 0.10 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1gx3 h LEU 189 Cb 0.74 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1gx3 h LEU 189 CO 0.06 0.89 -0.04 -0.33 0.09 0.00 0.00 178.44 179.10 1gx3 h GLU 190 N 1.08 0.75 -0.30 1.13 5.08 -0.48 -0.25 114.58 121.59 1gx3 h GLU 190 Ca 0.25 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1gx3 h GLU 190 Cb 0.19 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1gx3 h GLU 190 CO -0.02 0.79 0.09 0.28 -1.00 0.00 0.00 179.01 179.15 1gx3 h VAL 191 N 0.69 1.20 -0.42 3.13 2.07 -0.94 0.84 116.25 122.83 1gx3 h VAL 191 Ca 0.13 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 67.01 1gx3 h VAL 191 Cb 0.49 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1gx3 h VAL 191 CO 0.03 0.22 0.27 1.23 0.02 0.00 0.00 177.57 179.33 1gx3 h GLY 192 N 0.32 0.59 1.50 2.17 0.00 -1.25 -2.27 103.07 104.13 1gx3 h GLY 192 Ca 0.10 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.16 1gx3 h GLY 192 CO -0.00 0.19 0.01 0.23 0.00 0.00 0.00 176.54 176.97 1gx3 h SER 193 N 0.54 0.59 -0.14 0.19 0.87 -0.89 -1.22 113.55 113.48 1gx3 h SER 193 Ca 0.16 -0.12 0.04 0.00 -1.23 0.00 0.00 61.79 60.63 1gx3 h SER 193 Cb -0.04 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 61.73 1gx3 h SER 193 CO -0.05 0.65 -0.08 -0.25 -0.53 0.00 0.00 176.83 176.57 1gx3 h TRP 194 N 0.59 -0.19 0.43 2.24 2.91 -0.62 -0.84 115.95 120.47 1gx3 h TRP 194 Ca 0.12 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.15 1gx3 h TRP 194 Cb 0.37 0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 29.11 1gx3 h TRP 194 CO 0.02 -0.13 -0.33 -0.92 -1.03 0.00 0.00 178.44 176.04 1gx3 h TYR 195 N -0.07 -0.89 -0.20 2.65 3.20 -0.77 -1.55 116.97 119.33 1gx3 h TYR 195 Ca 0.08 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 1gx3 h TYR 195 Cb 0.20 0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1gx3 h TYR 195 CO -0.22 -0.49 0.05 0.28 -1.64 0.00 0.00 178.16 176.15 1gx3 h VAL 196 N -0.76 1.10 -0.01 1.81 2.07 -1.13 -0.13 116.25 119.21 1gx3 h VAL 196 Ca -0.04 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1gx3 h VAL 196 Cb 0.65 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1gx3 h VAL 196 CO -0.00 0.12 -0.23 -1.54 0.02 0.00 0.00 177.57 175.94 1gx3 n SER 197 N -4.42 1.34 0.00 0.57 3.41 -0.33 -4.43 113.62 109.76 1gx3 n SER 197 Ca 0.00 -1.14 0.00 0.00 -0.26 0.00 0.00 58.87 57.47 1gx3 n SER 197 Cb 0.14 0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 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 -0.33 0.00 -1.96 6.66 -2.24 -0.60 -4.61 114.28 111.21 1gx3 n THR 198 Ca 0.13 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.49 1gx3 n THR 198 Cb 0.38 0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 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 -0.66 2.99 0.50 4.78 5.04 -0.09 -4.88 115.29 122.96 1gx3 s HIS 199 Ca 0.00 0.62 0.39 0.00 -1.54 0.00 0.00 55.06 54.53 1gx3 s HIS 199 Cb 0.00 -3.90 2.04 0.00 0.04 0.00 0.00 32.58 30.75 1gx3 s HIS 199 CO 0.00 -3.37 2.24 -1.00 -2.34 0.00 0.00 174.74 170.28 1gx3 h PRO 200 N 7.04 0.00 -0.00 2.88 0.13 -1.97 -1.06 132.00 139.01 1gx3 h PRO 200 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 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 0.91 0.01 -0.16 0.41 -0.23 0.00 0.00 178.00 178.94 1gx3 n GLY 201 N -0.79 -0.88 3.75 1.56 0.00 -1.26 -4.66 105.19 102.91 1gx3 n GLY 201 Ca -0.02 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.53 6.80 0.52 1.61 0.15 -0.40 -4.88 113.70 114.97 1gx3 s SER 202 Ca 0.26 2.58 0.21 0.00 0.70 0.00 0.00 55.95 59.69 1gx3 s SER 202 Cb 0.20 -2.63 1.32 0.00 -1.71 0.00 0.00 66.02 63.20 1gx3 s SER 202 CO 0.50 -0.57 2.06 -0.74 1.20 0.00 0.00 173.24 175.70 1gx3 h HIS 203 N 4.51 0.02 -0.00 3.44 2.76 -1.89 -0.81 115.15 123.18 1gx3 h HIS 203 Ca -0.47 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.70 1gx3 h HIS 203 Cb 1.22 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.17 1gx3 h HIS 203 CO 0.59 0.01 -0.09 1.19 -1.30 0.00 0.00 177.93 178.33 1gx3 n PHE 204 N -4.45 0.00 -0.06 5.26 3.01 -1.26 -3.32 117.46 116.64 1gx3 n PHE 204 Ca 0.04 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.48 1gx3 n PHE 204 Cb 0.37 -0.25 -0.14 0.00 -0.01 0.00 0.00 39.48 39.46 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 -1.14 0.78 1.00 -4.37 0.31 -0.36 -3.54 118.33 111.01 1gx3 n VAL 205 Ca 0.13 -0.62 0.12 0.00 -0.01 0.00 0.00 64.34 63.96 1gx3 n VAL 205 Cb 0.28 -0.34 0.23 0.00 -0.91 0.00 0.00 33.84 33.09 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 -2.46 0.00 -3.67 2.52 -2.24 -0.90 -4.68 114.28 102.85 1gx3 n THR 206 Ca -0.20 -0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.52 1gx3 n THR 206 Cb 0.86 0.30 0.02 0.00 -2.10 0.00 0.00 70.33 69.42 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 1.10 3.48 3.38 0.00 -1.21 -4.80 105.19 108.63 1gx3 n GLY 207 Ca 0.06 -1.19 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 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 3.37 -0.08 0.99 2.96 -1.26 -4.73 118.68 119.92 1gx3 s LEU 208 Ca 0.14 -0.16 0.02 0.00 -0.22 0.00 0.00 54.13 53.91 1gx3 s LEU 208 Cb -0.04 -1.86 0.01 0.00 0.50 0.00 0.00 46.19 44.81 1gx3 s LEU 208 CO 0.09 0.07 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.18 1gx3 s THR 209 N 0.97 1.18 -0.01 3.68 2.01 -1.26 -1.81 115.64 120.41 1gx3 s THR 209 Ca 0.02 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.55 1gx3 s THR 209 Cb -0.14 -1.10 0.00 0.00 0.01 0.00 0.00 72.50 71.27 1gx3 s THR 209 CO 0.02 0.37 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.60 1gx3 s VAL 210 N 0.87 0.29 0.07 3.82 1.01 -0.35 -2.62 120.40 123.49 1gx3 s VAL 210 Ca -0.10 -0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.64 1gx3 s VAL 210 Cb -0.15 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 35.97 1gx3 s VAL 210 CO 0.01 0.10 0.27 0.00 0.00 0.00 0.00 175.10 175.48 1gx3 s ALA 211 N 0.15 -0.52 0.05 5.51 0.00 0.12 -0.58 121.76 126.47 1gx3 s ALA 211 Ca -0.01 -0.26 -0.23 0.00 0.00 0.00 0.00 51.96 51.46 1gx3 s ALA 211 Cb -0.04 0.44 0.05 0.00 0.00 0.00 0.00 23.12 23.58 1gx3 s ALA 211 CO -0.00 -0.48 0.53 0.54 0.00 0.00 0.00 175.76 176.34 1gx3 s VAL 212 N -3.26 0.03 -0.17 0.00 0.11 -1.09 -0.50 120.40 115.52 1gx3 s VAL 212 Ca 0.00 -0.22 -0.01 0.00 -2.93 0.00 0.00 61.98 58.82 1gx3 s VAL 212 Cb 0.02 -0.97 0.04 0.00 -1.53 0.00 0.00 36.38 33.93 1gx3 s VAL 212 CO -0.08 -0.12 -0.05 -0.69 -3.33 0.00 0.00 175.10 170.83 1gx3 s VAL 213 N -2.42 1.08 0.64 2.04 1.01 -1.21 -1.06 120.40 120.48 1gx3 s VAL 213 Ca -0.05 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1gx3 s VAL 213 Cb -0.01 -1.27 0.10 0.00 0.00 0.00 0.00 36.38 35.20 1gx3 s VAL 213 CO -0.02 0.11 0.89 0.42 0.00 0.00 0.00 175.10 176.50 1gx3 s THR 214 N 1.65 2.25 0.34 3.92 -4.23 -0.74 -2.86 115.64 115.97 1gx3 s THR 214 Ca 0.01 -0.74 0.11 0.00 -1.18 0.00 0.00 61.69 59.88 1gx3 s THR 214 Cb -0.15 -2.51 0.33 0.00 1.34 0.00 0.00 72.50 71.51 1gx3 s THR 214 CO -0.08 0.00 1.78 0.44 -0.54 0.00 0.00 174.62 176.23 1gx3 h ASP 215 N -0.19 0.65 -0.00 3.99 3.32 -1.98 -3.20 116.42 119.01 1gx3 h ASP 215 Ca -0.35 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1gx3 h ASP 215 Cb 1.28 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1gx3 h ASP 215 CO 0.42 0.20 -0.43 0.47 -1.72 0.00 0.00 179.24 178.18 1gx3 n ASP 216 N -4.72 0.99 -3.86 6.45 8.00 -1.26 -4.94 116.55 117.21 1gx3 n ASP 216 Ca 0.24 -0.99 -0.08 0.00 0.71 0.00 0.00 54.79 54.66 1gx3 n ASP 216 Cb 0.67 0.74 -0.03 0.00 -0.02 0.00 0.00 41.12 42.49 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 -1.91 -0.95 -0.12 2.24 0.00 -1.21 -4.78 121.76 115.03 1gx3 s ALA 217 Ca 0.08 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.66 1gx3 s ALA 217 Cb 0.10 0.91 -0.00 0.00 0.00 0.00 0.00 23.12 24.12 1gx3 s ALA 217 CO 0.42 -0.95 -0.20 1.03 0.00 0.00 0.00 175.76 176.06 1gx3 s ARG 218 N -3.93 3.15 -0.12 0.00 0.52 -1.10 -1.78 118.95 115.68 1gx3 s ARG 218 Ca 0.13 -0.81 -0.02 0.00 -0.52 0.00 0.00 55.73 54.51 1gx3 s ARG 218 Cb -0.04 -2.43 -0.03 0.00 0.52 0.00 0.00 34.95 32.97 1gx3 s ARG 218 CO 0.05 0.16 -0.04 0.71 0.02 0.00 0.00 175.30 176.20 1gx3 s TYR 219 N 0.43 3.02 -0.09 -0.53 1.51 -0.22 -0.85 117.35 120.63 1gx3 s TYR 219 Ca -0.15 -0.14 -0.03 0.00 -1.01 0.00 0.00 57.07 55.74 1gx3 s TYR 219 Cb -0.17 -1.87 0.04 0.00 -0.11 0.00 0.00 41.96 39.85 1gx3 s TYR 219 CO 0.06 0.14 0.09 1.21 -1.11 0.00 0.00 175.55 175.94 1gx3 s ASN 220 N -0.13 1.37 -0.22 2.29 2.47 0.05 -2.67 114.94 118.11 1gx3 s ASN 220 Ca 0.03 -0.06 -0.07 0.00 0.42 0.00 0.00 52.86 53.18 1gx3 s ASN 220 Cb -0.13 -0.07 -0.03 0.00 -1.45 0.00 0.00 41.25 39.57 1gx3 s ASN 220 CO 0.02 -0.28 0.05 -0.22 -3.72 0.00 0.00 177.10 172.96 1gx3 s LEU 221 N 2.19 3.47 -0.18 3.21 2.96 0.25 -0.27 118.68 130.32 1gx3 s LEU 221 Ca 0.04 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 1gx3 s LEU 221 Cb -0.13 -1.90 0.03 0.00 0.50 0.00 0.00 46.19 44.68 1gx3 s LEU 221 CO -0.05 0.04 -0.15 -0.60 -1.32 0.00 0.00 176.35 174.27 1gx3 s ARG 222 N 1.14 2.42 6.52 1.98 6.06 0.10 -1.21 118.95 135.96 1gx3 s ARG 222 Ca 0.04 -0.76 0.00 0.00 -2.50 0.00 0.00 55.73 52.51 1gx3 s ARG 222 Cb -0.14 -2.36 0.00 0.00 0.06 0.00 0.00 34.95 32.50 1gx3 s ARG 222 CO 0.03 -0.30 0.00 0.41 -2.50 0.00 0.00 175.30 172.94 1gx3 n GLY 223 N 4.69 3.60 0.14 8.12 0.00 -0.75 -0.86 105.19 120.12 1gx3 n GLY 223 Ca -0.17 0.01 0.15 0.00 0.00 0.00 0.00 46.02 46.00 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 14.00 1.20 -3.76 1.61 1.85 0.14 -4.85 116.66 126.85 1gx3 n ARG 224 Ca 0.00 -0.28 -0.37 0.00 -1.00 0.00 0.00 57.85 56.20 1gx3 n ARG 224 Cb 0.00 -1.49 -0.13 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 -1.98 5.11 -0.22 2.89 0.01 -0.04 -1.00 114.94 119.71 1gx3 s ASN 225 Ca 0.44 -0.53 -0.07 0.00 -0.71 0.00 0.00 52.86 52.00 1gx3 s ASN 225 Cb 0.21 -1.90 -0.03 0.00 0.41 0.00 0.00 41.25 39.95 1gx3 s ASN 225 CO 0.35 -0.14 0.05 -0.22 -1.51 0.00 0.00 177.10 175.63 1gx3 s LEU 226 N 1.54 3.46 -0.05 0.60 2.96 0.31 -0.72 118.68 126.78 1gx3 s LEU 226 Ca 0.04 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 1gx3 s LEU 226 Cb -0.16 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 1gx3 s LEU 226 CO 0.03 0.04 -0.02 0.00 -1.32 0.00 0.00 176.35 175.07 1gx3 s ALA 227 N 1.17 3.18 -0.07 5.97 0.00 0.63 0.30 121.76 132.95 1gx3 s ALA 227 Ca 0.04 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.14 1gx3 s ALA 227 Cb -0.14 -1.34 0.01 0.00 0.00 0.00 0.00 23.12 21.64 1gx3 s ALA 227 CO 0.03 0.61 -0.17 0.08 0.00 0.00 0.00 175.76 176.30 1gx3 s VAL 228 N -0.94 1.47 -0.22 0.00 1.01 -0.53 -0.77 120.40 120.42 1gx3 s VAL 228 Ca 0.15 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.44 1gx3 s VAL 228 Cb -0.11 -1.29 0.02 0.00 0.00 0.00 0.00 36.38 35.00 1gx3 s VAL 228 CO 0.05 0.43 -0.11 -1.00 0.00 0.00 0.00 175.10 174.46 1gx3 s HIS 229 N 0.42 2.97 0.09 5.22 3.76 -0.03 -3.05 115.29 124.68 1gx3 s HIS 229 Ca -0.13 -1.60 -0.00 0.00 -0.15 0.00 0.00 55.06 53.17 1gx3 s HIS 229 Cb -0.15 -2.00 -0.04 0.00 1.11 0.00 0.00 32.58 31.50 1gx3 s HIS 229 CO 0.05 -0.75 -0.00 1.03 -0.85 0.00 0.00 174.74 174.21 1gx3 s ARG 230 N 1.31 0.79 0.14 1.40 0.52 -1.25 -2.73 118.95 119.12 1gx3 s ARG 230 Ca 0.02 -1.34 -0.28 0.00 -0.52 0.00 0.00 55.73 53.61 1gx3 s ARG 230 Cb -0.15 0.13 -0.03 0.00 0.52 0.00 0.00 34.95 35.42 1gx3 s ARG 230 CO -0.07 -0.15 1.59 0.66 0.02 0.00 0.00 175.30 177.34 1gx3 h SER 231 N 2.99 -1.26 -0.25 0.23 4.64 -1.99 -2.81 113.55 115.11 1gx3 h SER 231 Ca -0.35 0.18 0.07 0.00 -0.47 0.00 0.00 61.79 61.22 1gx3 h SER 231 Cb 1.17 0.53 -0.01 0.00 -0.31 0.00 0.00 62.40 63.78 1gx3 h SER 231 CO 0.63 -0.40 0.29 1.23 -0.87 0.00 0.00 176.83 177.72 1gx3 h GLY 232 N -0.42 0.00 -2.12 -0.77 0.00 -2.00 -3.47 103.07 94.28 1gx3 h GLY 232 Ca 0.10 0.00 0.32 0.00 0.00 0.00 0.00 47.33 47.75 1gx3 h GLY 232 CO -0.44 0.00 0.85 0.00 0.00 0.00 0.00 176.54 176.95 1gx3 s ALA 233 N -4.59 -2.31 -0.04 3.60 0.00 -1.06 -5.14 121.76 112.22 1gx3 s ALA 233 Ca -0.04 0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.14 1gx3 s ALA 233 Cb 0.15 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.95 1gx3 s ALA 233 CO 0.53 -1.11 -0.07 0.95 0.00 0.00 0.00 175.76 176.05 1gx3 s THR 234 N -2.17 3.63 -0.05 0.00 -4.23 -1.26 -3.83 115.64 107.73 1gx3 s THR 234 Ca 0.24 -0.62 0.02 0.00 -1.18 0.00 0.00 61.69 60.14 1gx3 s THR 234 Cb 0.01 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.35 1gx3 s THR 234 CO -0.01 0.51 -0.08 -0.70 -0.54 0.00 0.00 174.62 173.80 1gx3 s GLU 235 N -1.05 1.23 -0.17 3.99 2.12 -1.17 -5.04 118.70 118.60 1gx3 s GLU 235 Ca 0.14 -0.24 -0.01 0.00 0.36 0.00 0.00 54.97 55.22 1gx3 s GLU 235 Cb -0.11 -1.11 0.05 0.00 0.26 0.00 0.00 34.13 33.22 1gx3 s GLU 235 CO 0.04 -0.04 -0.03 -1.01 -0.54 0.00 0.00 175.26 173.68 1gx3 s HIS 236 N 0.82 1.53 -0.25 5.30 3.76 -1.26 -1.45 115.29 123.74 1gx3 s HIS 236 Ca -0.12 -1.01 -0.10 0.00 -0.15 0.00 0.00 55.06 53.67 1gx3 s HIS 236 Cb -0.15 -1.23 -0.05 0.00 1.11 0.00 0.00 32.58 32.26 1gx3 s HIS 236 CO 0.02 -0.60 0.16 0.42 -0.85 0.00 0.00 174.74 173.88 1gx3 s ILE 237 N 1.69 5.26 -0.37 0.60 1.01 0.15 -4.97 121.20 124.57 1gx3 s ILE 237 Ca 0.00 0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.69 1gx3 s ILE 237 Cb -0.16 -3.47 0.02 0.00 0.01 0.00 0.00 42.46 38.87 1gx3 s ILE 237 CO -0.07 0.32 0.20 -0.60 0.00 0.00 0.00 174.94 174.79 1gx3 s ARG 238 N 1.28 2.91 0.29 2.79 3.52 -1.26 -0.53 118.95 127.94 1gx3 s ARG 238 Ca 0.07 -1.02 -0.29 0.00 -0.13 0.00 0.00 55.73 54.35 1gx3 s ARG 238 Cb -0.14 -3.71 -0.10 0.00 -1.56 0.00 0.00 34.95 29.44 1gx3 s ARG 238 CO 0.06 -0.66 1.11 -0.06 -0.81 0.00 0.00 175.30 174.95 1gx3 s PHE 239 N 1.56 3.54 0.31 5.12 0.40 -0.17 -4.96 117.98 123.78 1gx3 s PHE 239 Ca 0.02 1.68 0.03 0.00 -0.60 0.00 0.00 56.93 58.07 1gx3 s PHE 239 Cb -0.19 -3.31 0.50 0.00 0.51 0.00 0.00 43.02 40.53 1gx3 s PHE 239 CO 0.07 -0.64 1.80 -0.44 0.70 0.00 0.00 175.22 176.70 1gx3 h ASP 240 N 3.77 0.49 -5.03 1.36 3.32 -1.98 -3.47 116.42 114.88 1gx3 h ASP 240 Ca -0.47 -0.13 0.06 0.00 0.02 0.00 0.00 57.03 56.51 1gx3 h ASP 240 Cb 1.21 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.59 1gx3 h ASP 240 CO 0.67 0.65 0.27 -0.94 -1.72 0.00 0.00 179.24 178.17 1gx3 s SER 241 N -6.77 -0.17 0.57 6.45 1.04 -1.26 -5.03 113.70 108.53 1gx3 s SER 241 Ca -0.07 -0.75 0.33 0.00 0.48 0.00 0.00 55.95 55.94 1gx3 s SER 241 Cb 0.15 0.74 1.74 0.00 0.10 0.00 0.00 66.02 68.75 1gx3 s SER 241 CO 0.78 -1.41 2.16 0.00 0.98 0.00 0.00 173.24 175.75 1gx3 h ALA 242 N 2.00 1.18 -0.29 5.32 0.00 -1.90 -1.53 119.26 124.04 1gx3 h ALA 242 Ca -0.23 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1gx3 h ALA 242 Cb 1.25 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1gx3 h ALA 242 CO 0.28 0.07 0.19 0.00 0.00 0.00 0.00 179.25 179.79 1gx3 h ALA 243 N 1.95 0.36 -0.32 0.00 0.00 -1.96 -0.82 119.26 118.47 1gx3 h ALA 243 Ca -0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1gx3 h ALA 243 Cb 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1gx3 h ALA 243 CO 0.01 -0.17 -0.33 1.96 0.00 0.00 0.00 179.25 180.72 1gx3 h GLN 244 N 0.39 0.70 -0.51 0.00 7.50 -1.71 -1.92 115.11 119.57 1gx3 h GLN 244 Ca 0.11 -0.33 -0.00 0.00 0.50 0.00 0.00 58.65 58.92 1gx3 h GLN 244 Cb -0.04 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.45 1gx3 h GLN 244 CO -0.02 0.94 0.30 0.28 -1.50 0.00 0.00 178.83 178.82 1gx3 h VAL 245 N 0.59 1.16 -0.59 -0.54 2.07 -1.09 -2.38 116.25 115.48 1gx3 h VAL 245 Ca 0.06 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1gx3 h VAL 245 Cb 0.85 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1gx3 h VAL 245 CO 0.07 0.16 0.28 -0.07 0.02 0.00 0.00 177.57 178.04 1gx3 h LEU 246 N 0.68 0.77 -0.66 2.57 4.07 -1.01 -0.01 115.31 121.71 1gx3 h LEU 246 Ca 0.18 -0.13 0.11 0.00 0.08 0.00 0.00 57.88 58.12 1gx3 h LEU 246 Cb 0.00 -0.20 -0.08 0.00 1.08 0.00 0.00 40.66 41.46 1gx3 h LEU 246 CO -0.03 0.69 0.25 -0.78 -1.08 0.00 0.00 178.44 177.48 1gx3 h ASP 247 N 0.80 0.23 -0.49 -0.43 1.82 -1.16 -2.04 116.42 115.15 1gx3 h ASP 247 Ca 0.20 0.09 -0.08 0.00 -0.39 0.00 0.00 57.03 56.85 1gx3 h ASP 247 Cb 0.12 0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.19 1gx3 h ASP 247 CO -0.02 0.12 -0.00 0.00 -1.61 0.00 0.00 179.24 177.72 1gx3 h ALA 248 N 1.47 0.66 -0.68 -0.78 0.00 -0.88 0.50 119.26 119.54 1gx3 h ALA 248 Ca 0.35 -0.28 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1gx3 h ALA 248 Cb 0.47 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 1gx3 h ALA 248 CO -0.35 0.46 0.31 0.82 0.00 0.00 0.00 179.25 180.49 1gx3 h ILE 249 N 0.72 0.80 0.13 0.00 2.04 -0.36 -0.27 117.51 120.56 1gx3 h ILE 249 Ca 0.14 -0.18 -0.25 0.00 1.00 0.00 0.00 64.86 65.57 1gx3 h ILE 249 Cb 0.51 0.23 0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1gx3 h ILE 249 CO 0.03 0.10 -1.21 0.58 0.00 0.00 0.00 178.15 177.64 1gx3 h VAL 250 N 0.52 1.20 0.00 1.67 2.07 -1.25 -1.87 116.25 118.60 1gx3 h VAL 250 Ca 0.34 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.41 1gx3 h VAL 250 Cb 0.40 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 1gx3 h VAL 250 CO -0.30 0.71 -0.37 0.78 0.02 0.00 0.00 177.57 178.41 1gx3 h ASN 251 N -0.32 0.00 -0.62 0.57 -0.26 0.01 -2.83 115.58 112.13 1gx3 h ASN 251 Ca -0.25 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.43 1gx3 h ASN 251 Cb 1.73 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.96 1gx3 h ASN 251 CO 0.09 0.64 0.14 0.03 -1.06 0.00 0.00 177.43 177.27 1gx3 h ARG 252 N -0.90 1.02 -0.02 0.81 3.08 -1.47 -3.30 114.38 113.60 1gx3 h ARG 252 Ca 0.00 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1gx3 h ARG 252 Cb 0.37 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1gx3 h ARG 252 CO 0.00 0.91 -0.06 1.19 -1.07 0.00 0.00 179.97 180.94 1gx3 n PHE 253 N -4.24 0.00 -2.38 3.04 3.01 -0.18 -5.01 117.46 111.70 1gx3 n PHE 253 Ca 0.05 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.31 1gx3 n PHE 253 Cb 0.26 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.71 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 1.10 -0.42 3.71 1.37 0.00 -1.07 -4.73 105.19 105.15 1gx3 n GLY 254 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.96 5.15 -0.18 -0.61 1.01 -0.72 -4.93 121.20 117.96 1gx3 s ILE 255 Ca 0.00 1.03 -0.20 0.00 0.00 0.00 0.00 60.65 61.47 1gx3 s ILE 255 Cb 0.00 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 1gx3 s ILE 255 CO 0.00 0.28 0.61 -0.62 0.00 0.00 0.00 174.94 175.21 1gx3 s ASP 256 N 0.75 6.70 0.00 3.58 2.15 -0.92 -4.31 116.67 124.62 1gx3 s ASP 256 Ca 0.27 0.85 0.21 0.00 0.43 0.00 0.00 52.55 54.31 1gx3 s ASP 256 Cb -0.16 -2.34 0.65 0.00 -0.30 0.00 0.00 42.92 40.78 1gx3 s ASP 256 CO 0.11 -0.22 1.50 0.18 -0.17 0.00 0.00 175.17 176.57 1gx3 n LEU 257 N 4.77 2.13 -0.02 -1.34 4.77 -1.26 -4.47 117.00 121.58 1gx3 n LEU 257 Ca -0.02 -0.89 0.07 0.00 -0.03 0.00 0.00 56.01 55.13 1gx3 n LEU 257 Cb 0.50 -0.14 0.45 0.00 -2.33 0.00 0.00 43.42 41.91 1gx3 n LEU 257 CO 0.44 0.44 1.17 1.23 -1.33 0.00 0.00 177.39 179.34 1gx3 h GLY 258 N 4.90 0.57 1.63 -0.72 0.00 -1.93 0.44 103.07 107.95 1gx3 h GLY 258 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1gx3 h GLY 258 CO 0.00 0.17 0.00 1.22 0.00 0.00 0.00 176.54 177.93 1gx3 n ASP 259 N -4.48 0.00 -1.04 0.19 8.00 -1.26 -1.54 116.55 116.42 1gx3 n ASP 259 Ca 0.05 0.03 0.10 0.00 0.71 0.00 0.00 54.79 55.69 1gx3 n ASP 259 Cb 0.17 -0.31 0.21 0.00 -0.02 0.00 0.00 41.12 41.17 1gx3 n ASP 259 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1gx3 n LEU 260 N -1.31 3.35 -4.73 0.64 4.77 0.15 -4.98 117.00 114.89 1gx3 n LEU 260 Ca 0.10 -1.69 -0.42 0.00 -0.03 0.00 0.00 56.01 53.97 1gx3 n LEU 260 Cb 0.19 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 1gx3 n LEU 260 CO 0.18 0.77 1.08 0.00 -1.33 0.00 0.00 177.39 178.09 1gx3 n ALA 261 N 1.26 1.88 0.00 -1.18 0.00 -0.59 -2.11 120.51 119.77 1gx3 n ALA 261 Ca 0.18 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1gx3 n ALA 261 Cb 0.55 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1gx3 n ALA 261 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gx3 n GLY 262 N 1.34 3.11 3.82 0.00 0.00 -1.26 -5.03 105.19 107.17 1gx3 n GLY 262 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1gx3 n GLY 262 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gx3 s ARG 263 N -0.75 3.21 -1.46 1.61 0.52 -0.90 -5.01 118.95 116.19 1gx3 s ARG 263 Ca 0.00 -0.40 -0.12 0.00 -0.52 0.00 0.00 55.73 54.69 1gx3 s ARG 263 Cb 0.00 -2.96 0.04 0.00 0.52 0.00 0.00 34.95 32.55 1gx3 s ARG 263 CO 0.00 0.67 2.33 -0.25 0.02 0.00 0.00 175.30 178.07 1gx3 n ASP 264 N 1.24 5.32 -0.16 0.23 8.00 -1.26 -4.80 116.55 125.11 1gx3 n ASP 264 Ca -0.13 -2.85 -0.04 0.00 0.71 0.00 0.00 54.79 52.48 1gx3 n ASP 264 Cb 0.53 -1.59 0.06 0.00 -0.02 0.00 0.00 41.12 40.10 1gx3 n ASP 264 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1gx3 h VAL 265 N 3.67 0.89 -0.91 2.53 2.07 -1.95 -2.33 116.25 120.23 1gx3 h VAL 265 Ca 0.61 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.97 1gx3 h VAL 265 Cb 0.54 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1gx3 h VAL 265 CO 1.80 0.08 0.52 -0.61 0.02 0.00 0.00 177.57 179.38 1gx3 h GLN 266 N 0.42 1.25 -0.59 1.57 4.15 -1.94 0.04 115.11 120.01 1gx3 h GLN 266 Ca 0.23 -0.13 -0.09 0.00 0.77 0.00 0.00 58.65 59.43 1gx3 h GLN 266 Cb 0.19 -0.25 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 1gx3 h GLN 266 CO -0.20 0.89 0.00 0.00 -1.93 0.00 0.00 178.83 177.60 1gx3 h ALA 267 N 1.31 0.89 -0.26 3.38 0.00 -1.85 -0.32 119.26 122.41 1gx3 h ALA 267 Ca 0.32 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1gx3 h ALA 267 Cb -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1gx3 h ALA 267 CO -0.06 0.66 -0.00 -0.09 0.00 0.00 0.00 179.25 179.76 1gx3 h ARG 268 N 0.94 0.46 -0.82 0.00 9.65 -0.91 -2.89 114.38 120.81 1gx3 h ARG 268 Ca 0.17 -0.15 0.11 0.00 -1.10 0.00 0.00 59.98 59.01 1gx3 h ARG 268 Cb 0.54 -0.04 -0.08 0.00 -1.39 0.00 0.00 29.97 29.00 1gx3 h ARG 268 CO 0.03 0.63 0.46 0.28 2.80 0.00 0.00 179.97 184.17 1gx3 h VAL 269 N 0.24 0.86 -0.18 0.20 2.07 -0.78 -0.78 116.25 117.88 1gx3 h VAL 269 Ca 0.07 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.39 1gx3 h VAL 269 Cb 0.42 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1gx3 h VAL 269 CO 0.01 0.14 0.13 0.00 0.02 0.00 0.00 177.57 177.87 1gx3 h ALA 270 N 1.48 2.16 0.00 1.67 0.00 -0.86 -1.60 119.26 122.11 1gx3 h ALA 270 Ca 0.41 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 1gx3 h ALA 270 Cb 0.44 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1gx3 h ALA 270 CO -0.28 -0.23 -0.09 0.93 0.00 0.00 0.00 179.25 179.58 1gx3 h GLU 271 N 0.00 0.00 -0.11 0.00 5.08 -0.96 -3.33 114.58 115.27 1gx3 h GLU 271 Ca 0.09 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1gx3 h GLU 271 Cb 0.36 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1gx3 h GLU 271 CO -0.00 0.09 -0.21 1.33 -1.00 0.00 0.00 179.01 179.22 1gx3 n VAL 272 N -3.16 2.20 0.23 3.13 0.24 -0.61 -4.73 118.33 115.63 1gx3 n VAL 272 Ca 0.02 -2.70 0.07 0.00 -2.04 0.00 0.00 64.34 59.69 1gx3 n VAL 272 Cb 0.45 -0.26 0.59 0.00 -1.47 0.00 0.00 33.84 33.16 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 0.80 0.03 -3.06 1.34 3.38 -1.64 -2.89 115.31 113.27 1gx3 h LEU 273 Ca 0.05 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1gx3 h LEU 273 Cb 1.19 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1gx3 h LEU 273 CO 0.11 0.07 -0.26 0.47 0.09 0.00 0.00 178.44 178.91 1gx3 n ASP 274 N -4.49 2.13 -0.17 -0.43 8.00 -1.26 -0.68 116.55 119.65 1gx3 n ASP 274 Ca -0.02 -3.58 0.02 0.00 0.71 0.00 0.00 54.79 51.91 1gx3 n ASP 274 Cb 0.12 -0.51 0.02 0.00 -0.02 0.00 0.00 41.12 40.73 1gx3 n ASP 274 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16