#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gx4 n GLY 2 N 0.00 1.18 3.06 0.23 0.00 -1.26 -5.04 105.19 103.36 2gx4 n GLY 2 Ca 0.00 -1.87 -0.11 0.00 0.00 0.00 0.00 46.02 44.04 2gx4 n GLY 2 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gx4 s PHE 3 N -2.56 -0.61 0.14 1.61 5.36 -1.26 -4.94 117.98 115.72 2gx4 s PHE 3 Ca 0.00 1.08 0.08 0.00 -0.96 0.00 0.00 56.93 57.13 2gx4 s PHE 3 Cb 0.00 0.07 -0.04 0.00 -0.34 0.00 0.00 43.02 42.71 2gx4 s PHE 3 CO 0.00 -0.48 -0.17 1.03 -1.46 0.00 0.00 175.22 174.14 2gx4 s ARG 4 N 2.50 1.18 -1.06 10.12 1.81 -1.26 -5.05 118.95 127.20 2gx4 s ARG 4 Ca 0.03 -1.33 -0.21 0.00 -1.72 0.00 0.00 55.73 52.50 2gx4 s ARG 4 Cb -0.13 -1.22 0.08 0.00 -0.45 0.00 0.00 34.95 33.23 2gx4 s ARG 4 CO -0.11 0.25 1.43 0.21 -0.68 0.00 0.00 175.30 176.39 2gx4 s LYS 5 N -2.64 3.68 -0.01 3.54 2.20 -1.26 -4.96 119.74 120.29 2gx4 s LYS 5 Ca 0.13 -1.47 -0.02 0.00 -0.36 0.00 0.00 55.97 54.24 2gx4 s LYS 5 Cb -0.06 -5.28 -0.04 0.00 -1.51 0.00 0.00 37.83 30.94 2gx4 s LYS 5 CO 0.05 -2.10 0.18 0.00 -0.36 0.00 0.00 175.35 173.12 2gx4 s MET 6 N 4.19 3.41 0.40 4.03 0.23 -1.26 -4.69 119.30 125.61 2gx4 s MET 6 Ca 0.44 -0.34 0.05 0.00 -1.03 0.00 0.00 55.69 54.82 2gx4 s MET 6 Cb -0.01 -3.08 0.00 0.00 -1.53 0.00 0.00 34.83 30.22 2gx4 s MET 6 CO -0.07 0.67 0.57 0.00 -2.03 0.00 0.00 175.02 174.16 2gx4 s ALA 7 N -1.32 4.22 0.45 3.16 0.00 -1.26 -4.80 121.76 122.22 2gx4 s ALA 7 Ca 0.27 -1.46 -0.21 0.00 0.00 0.00 0.00 51.96 50.57 2gx4 s ALA 7 Cb -0.13 -1.78 -0.10 0.00 0.00 0.00 0.00 23.12 21.12 2gx4 s ALA 7 CO 0.19 -0.25 0.98 -0.06 0.00 0.00 0.00 175.76 176.62 2gx4 s PHE 8 N -2.36 3.20 0.24 0.00 0.08 -1.26 -4.96 117.98 112.92 2gx4 s PHE 8 Ca 0.50 1.59 -0.31 0.00 0.12 0.00 0.00 56.93 58.83 2gx4 s PHE 8 Cb -0.10 -2.92 -0.13 0.00 -0.57 0.00 0.00 43.02 39.30 2gx4 s PHE 8 CO 0.34 -0.37 1.53 -2.30 -0.10 0.00 0.00 175.22 174.32 2gx4 n PRO 9 N -0.79 2.34 0.00 0.24 -0.02 -1.26 -4.88 135.00 130.64 2gx4 n PRO 9 Ca 0.08 0.84 0.13 0.00 -2.02 0.00 0.00 63.50 62.53 2gx4 n PRO 9 Cb 0.53 -2.58 0.45 0.00 -0.02 0.00 0.00 33.50 31.88 2gx4 n PRO 9 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2gx4 n SER 10 N 2.62 0.73 -0.33 2.55 3.41 -1.26 -4.61 113.62 116.73 2gx4 n SER 10 Ca 0.12 -0.64 -0.10 0.00 -0.26 0.00 0.00 58.87 58.00 2gx4 n SER 10 Cb 0.33 0.06 -0.09 0.00 -0.26 0.00 0.00 64.21 64.25 2gx4 n SER 10 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2gx4 h GLY 11 N 4.95 -1.13 0.92 5.00 0.00 -2.00 0.48 103.07 111.29 2gx4 h GLY 11 Ca 0.00 0.84 0.15 0.00 0.00 0.00 0.00 47.33 48.32 2gx4 h GLY 11 CO 0.00 -0.12 0.40 0.50 0.00 0.00 0.00 176.54 177.31 2gx4 h LYS 12 N -0.04 0.00 0.04 4.80 1.57 -1.97 -1.65 116.57 119.32 2gx4 h LYS 12 Ca 0.13 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.63 2gx4 h LYS 12 Cb 0.37 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 2gx4 h LYS 12 CO -0.77 0.00 -1.48 0.28 -0.57 0.00 0.00 179.45 176.91 2gx4 h VAL 13 N 0.00 1.16 -0.89 0.50 2.07 -1.30 -3.34 116.25 114.45 2gx4 h VAL 13 Ca 0.24 -2.90 0.02 0.00 0.82 0.00 0.00 66.70 64.87 2gx4 h VAL 13 Cb 1.04 2.64 -0.05 0.00 -1.52 0.00 0.00 31.29 33.40 2gx4 h VAL 13 CO -0.00 0.74 0.59 -0.33 0.02 0.00 0.00 177.57 178.59 2gx4 h GLU 14 N 0.03 1.15 0.00 1.57 5.08 -0.14 -1.50 114.58 120.76 2gx4 h GLU 14 Ca -0.21 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 2gx4 h GLU 14 Cb 1.95 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.94 2gx4 h GLU 14 CO 0.12 0.76 0.00 0.41 -1.00 0.00 0.00 179.01 179.30 2gx4 n GLY 15 N -1.40 -0.59 0.12 -3.84 0.00 -1.11 -2.47 105.19 95.91 2gx4 n GLY 15 Ca 0.11 -0.07 0.02 0.00 0.00 0.00 0.00 46.02 46.08 2gx4 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gx4 s MET 17 N -0.46 4.43 0.23 0.00 -1.94 -1.03 0.23 119.30 120.75 2gx4 s MET 17 Ca 0.04 0.89 0.00 0.00 -1.71 0.00 0.00 55.69 54.91 2gx4 s MET 17 Cb 0.03 -3.41 -0.05 0.00 2.01 0.00 0.00 34.83 33.41 2gx4 s MET 17 CO 0.06 0.17 0.11 0.14 -0.01 0.00 0.00 175.02 175.49 2gx4 s VAL 18 N 0.43 0.31 -0.09 -6.03 -7.23 -0.43 -4.73 120.40 102.63 2gx4 s VAL 18 Ca 0.37 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.50 2gx4 s VAL 18 Cb -0.18 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 2gx4 s VAL 18 CO 0.19 -0.02 0.05 -1.58 -0.31 0.00 0.00 175.10 173.43 2gx4 s GLN 19 N -4.09 3.13 -0.07 4.82 0.74 -0.39 0.12 119.66 123.93 2gx4 s GLN 19 Ca 0.38 -0.32 0.01 0.00 0.05 0.00 0.00 55.36 55.47 2gx4 s GLN 19 Cb 0.07 -2.92 0.02 0.00 1.10 0.00 0.00 33.01 31.28 2gx4 s GLN 19 CO 0.13 0.72 -0.08 0.08 -0.55 0.00 0.00 175.29 175.59 2gx4 s VAL 20 N -0.95 0.85 0.05 1.34 1.01 0.69 -0.98 120.40 122.42 2gx4 s VAL 20 Ca 0.14 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 61.93 2gx4 s VAL 20 Cb -0.12 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 2gx4 s VAL 20 CO 0.04 0.31 -0.22 -0.89 0.00 0.00 0.00 175.10 174.33 2gx4 s THR 21 N 1.06 1.79 -0.23 3.92 2.01 0.62 -1.21 115.64 123.61 2gx4 s THR 21 Ca -0.08 -1.28 -0.11 0.00 0.31 0.00 0.00 61.69 60.54 2gx4 s THR 21 Cb -0.14 -1.56 0.08 0.00 0.01 0.00 0.00 72.50 70.89 2gx4 s THR 21 CO -0.01 0.22 0.53 0.00 -0.69 0.00 0.00 174.62 174.68 2gx4 n GLY 23 N 4.70 3.35 0.76 0.00 0.00 -1.26 -1.45 105.19 111.29 2gx4 n GLY 23 Ca -0.17 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 45.81 2gx4 n GLY 23 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2gx4 n THR 24 N 0.00 0.29 -3.55 2.61 5.66 -1.26 -4.97 114.28 113.06 2gx4 n THR 24 Ca 0.00 -0.64 -0.37 0.00 -3.05 0.00 0.00 64.05 59.98 2gx4 n THR 24 Cb 0.00 1.10 -0.06 0.00 -1.55 0.00 0.00 70.33 69.82 2gx4 n THR 24 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2gx4 s THR 25 N -1.28 5.21 -0.04 1.09 2.01 -0.53 -5.08 115.64 117.01 2gx4 s THR 25 Ca 0.24 0.66 0.01 0.00 0.31 0.00 0.00 61.69 62.91 2gx4 s THR 25 Cb 0.15 -3.65 0.02 0.00 0.01 0.00 0.00 72.50 69.03 2gx4 s THR 25 CO 0.22 0.50 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.69 2gx4 s THR 26 N -0.38 0.66 0.34 -0.82 2.01 -1.26 -1.30 115.64 114.89 2gx4 s THR 26 Ca 0.20 -0.21 -0.02 0.00 0.31 0.00 0.00 61.69 61.97 2gx4 s THR 26 Cb -0.15 -0.65 0.01 0.00 0.01 0.00 0.00 72.50 71.73 2gx4 s THR 26 CO 0.08 0.24 0.48 0.00 -0.69 0.00 0.00 174.62 174.74 2gx4 n LEU 27 N 3.89 0.00 -4.88 4.42 -0.00 -0.35 -4.76 117.00 115.32 2gx4 n LEU 27 Ca -0.24 -2.76 -0.30 0.00 -0.00 0.00 0.00 56.01 52.70 2gx4 n LEU 27 Cb 0.51 2.49 -0.04 0.00 -0.00 0.00 0.00 43.42 46.38 2gx4 n LEU 27 CO 0.24 -0.64 0.32 0.20 -0.00 0.00 0.00 177.39 177.51 2gx4 s ASN 28 N -3.10 6.56 0.13 1.45 0.01 -0.32 -0.22 114.94 119.44 2gx4 s ASN 28 Ca 0.28 0.99 0.04 0.00 -0.71 0.00 0.00 52.86 53.46 2gx4 s ASN 28 Cb -0.01 -2.26 -0.04 0.00 0.41 0.00 0.00 41.25 39.35 2gx4 s ASN 28 CO 0.20 -0.24 -0.10 -0.83 -1.51 0.00 0.00 177.10 174.63 2gx4 s GLY 29 N -2.84 0.96 -0.27 0.66 0.00 0.12 -4.06 107.32 101.89 2gx4 s GLY 29 Ca 0.49 -1.39 -0.05 0.00 0.00 0.00 0.00 44.72 43.76 2gx4 s GLY 29 CO 0.26 -1.49 0.03 -2.27 0.00 0.00 0.00 173.10 169.64 2gx4 s LEU 30 N -2.96 3.54 -0.44 0.66 2.96 0.12 -1.32 118.68 121.24 2gx4 s LEU 30 Ca 0.13 -0.66 -0.13 0.00 -0.22 0.00 0.00 54.13 53.25 2gx4 s LEU 30 Cb 0.02 -1.82 0.07 0.00 0.50 0.00 0.00 46.19 44.95 2gx4 s LEU 30 CO -0.00 -0.14 0.33 0.86 -1.32 0.00 0.00 176.35 176.08 2gx4 s TRP 31 N 1.47 3.27 -0.10 5.38 -0.00 0.14 -1.10 118.94 128.00 2gx4 s TRP 31 Ca 0.03 -1.10 0.04 0.00 -0.00 0.00 0.00 56.10 55.07 2gx4 s TRP 31 Cb -0.16 -3.01 0.00 0.00 -0.00 0.00 0.00 33.47 30.30 2gx4 s TRP 31 CO 0.00 -0.79 -0.22 -0.51 -0.00 0.00 0.00 176.95 175.43 2gx4 s LEU 32 N 1.57 2.04 0.00 5.86 1.43 -0.74 -4.67 118.68 124.17 2gx4 s LEU 32 Ca 0.04 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 2gx4 s LEU 32 Cb -0.23 -1.34 0.00 0.00 0.03 0.00 0.00 46.19 44.64 2gx4 s LEU 32 CO 0.05 0.14 0.00 0.47 0.23 0.00 0.00 176.35 177.24 2gx4 n ASP 33 N 3.61 0.00 -1.55 2.29 8.00 -1.26 -1.43 116.55 126.21 2gx4 n ASP 33 Ca -0.19 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.19 2gx4 n ASP 33 Cb 0.53 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.81 2gx4 n ASP 33 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2gx4 n ASP 34 N 4.94 3.10 -4.15 -2.24 3.85 -1.26 0.48 116.55 121.26 2gx4 n ASP 34 Ca 0.00 -3.75 -0.20 0.00 -0.71 0.00 0.00 54.79 50.13 2gx4 n ASP 34 Cb 0.00 -0.70 -0.13 0.00 -1.35 0.00 0.00 41.12 38.94 2gx4 n ASP 34 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 2gx4 s THR 35 N -3.38 1.15 -0.11 2.12 2.01 -0.51 -1.79 115.64 115.12 2gx4 s THR 35 Ca 0.49 -1.02 0.02 0.00 0.31 0.00 0.00 61.69 61.50 2gx4 s THR 35 Cb 0.43 -1.04 0.01 0.00 0.01 0.00 0.00 72.50 71.92 2gx4 s THR 35 CO 0.03 0.01 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.09 2gx4 s VAL 36 N -0.86 1.75 -0.04 3.82 1.01 0.17 -1.80 120.40 124.46 2gx4 s VAL 36 Ca 0.02 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 2gx4 s VAL 36 Cb -0.08 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2gx4 s VAL 36 CO 0.01 0.49 0.03 -0.31 0.00 0.00 0.00 175.10 175.33 2gx4 s TYR 37 N 0.81 3.20 0.03 5.22 2.02 -0.26 -0.39 117.35 127.98 2gx4 s TYR 37 Ca -0.09 0.18 -0.27 0.00 -0.37 0.00 0.00 57.07 56.52 2gx4 s TYR 37 Cb -0.16 -1.75 0.09 0.00 -0.40 0.00 0.00 41.96 39.75 2gx4 s TYR 37 CO 0.00 0.51 0.81 0.00 -1.57 0.00 0.00 175.55 175.30 2gx4 n PRO 39 N -0.24 2.41 0.24 0.00 -0.02 -1.26 -0.60 135.00 135.52 2gx4 n PRO 39 Ca -0.11 0.87 0.16 0.00 -2.02 0.00 0.00 63.50 62.40 2gx4 n PRO 39 Cb 0.62 -2.65 0.75 0.00 -0.02 0.00 0.00 33.50 32.20 2gx4 n PRO 39 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 2gx4 h ARG 40 N 5.86 0.00 0.00 -0.52 0.11 -1.44 -2.52 114.38 115.87 2gx4 h ARG 40 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 2gx4 h ARG 40 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 2gx4 h ARG 40 CO 0.88 0.00 0.00 -2.39 0.10 0.00 0.00 179.97 178.56 2gx4 n HIS 41 N -2.74 0.00 0.32 4.08 1.44 -1.26 -2.26 115.22 114.79 2gx4 n HIS 41 Ca -0.00 0.00 0.16 0.00 -2.01 0.00 0.00 57.72 55.87 2gx4 n HIS 41 Cb 0.19 0.00 0.64 0.00 0.12 0.00 0.00 29.99 30.94 2gx4 n HIS 41 CO 0.00 0.00 0.00 -0.24 -2.81 0.00 0.00 176.34 173.29 2gx4 h VAL 42 N 0.00 0.00 -0.46 0.61 3.04 -1.83 -2.34 116.25 115.28 2gx4 h VAL 42 Ca 0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 2gx4 h VAL 42 Cb 0.00 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 2gx4 h VAL 42 CO 0.00 0.00 0.00 2.30 -1.01 0.00 0.00 177.57 178.86 2gx4 n ILE 43 N -2.81 0.61 -3.36 3.17 -5.35 -0.96 -4.49 119.36 106.17 2gx4 n ILE 43 Ca 0.01 -0.62 -0.29 0.00 -0.27 0.00 0.00 62.75 61.58 2gx4 n ILE 43 Cb 0.27 0.33 -0.04 0.00 -1.74 0.00 0.00 39.64 38.47 2gx4 n ILE 43 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2gx4 s THR 45 N -2.03 2.66 0.32 0.00 -4.23 -1.26 -4.80 115.64 106.30 2gx4 s THR 45 Ca 0.44 -1.87 0.07 0.00 -1.18 0.00 0.00 61.69 59.15 2gx4 s THR 45 Cb -0.11 -2.87 0.36 0.00 1.34 0.00 0.00 72.50 71.22 2gx4 s THR 45 CO 0.28 -0.16 1.60 0.00 -0.54 0.00 0.00 174.62 175.80 2gx4 h ALA 46 N 1.70 1.49 0.00 3.99 0.00 -2.01 0.14 119.26 124.56 2gx4 h ALA 46 Ca -0.43 0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 2gx4 h ALA 46 Cb 1.25 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 2gx4 h ALA 46 CO 0.67 -0.63 -0.52 0.93 0.00 0.00 0.00 179.25 179.70 2gx4 h GLU 47 N 0.09 0.00 0.00 0.00 3.07 -2.04 -3.29 114.58 112.41 2gx4 h GLU 47 Ca 0.65 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.46 2gx4 h GLU 47 Cb 1.46 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.37 2gx4 h GLU 47 CO -0.78 0.44 -0.24 -0.44 -1.40 0.00 0.00 179.01 176.59 2gx4 h ASP 48 N 0.00 0.00 -0.19 1.42 3.45 -1.12 -3.34 116.42 116.65 2gx4 h ASP 48 Ca -0.01 0.00 0.04 0.00 0.43 0.00 0.00 57.03 57.49 2gx4 h ASP 48 Cb 1.36 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 40.12 2gx4 h ASP 48 CO 0.06 0.24 0.13 0.24 -1.57 0.00 0.00 179.24 178.34 2gx4 h MET 49 N 0.00 0.06 -0.20 3.56 2.86 -1.54 -1.41 114.93 118.25 2gx4 h MET 49 Ca -0.00 -0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.45 2gx4 h MET 49 Cb 0.84 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.50 2gx4 h MET 49 CO 0.03 0.04 -0.58 1.25 1.06 0.00 0.00 176.91 178.71 2gx4 h LEU 50 N 0.06 0.86 -5.48 1.22 5.85 -1.82 0.40 115.31 116.40 2gx4 h LEU 50 Ca 0.09 -0.58 -0.37 0.00 0.84 0.00 0.00 57.88 57.86 2gx4 h LEU 50 Cb 0.26 -0.25 -0.27 0.00 0.37 0.00 0.00 40.66 40.78 2gx4 h LEU 50 CO -0.01 1.29 -0.80 -3.20 -0.34 0.00 0.00 178.44 175.39 2gx4 n ASN 51 N -4.07 -1.09 -4.78 1.25 4.05 -1.19 -4.18 115.26 105.25 2gx4 n ASN 51 Ca -0.06 -3.21 -0.37 0.00 0.45 0.00 0.00 54.58 51.38 2gx4 n ASN 51 Cb 0.64 0.68 -0.04 0.00 1.23 0.00 0.00 39.78 42.29 2gx4 n ASN 51 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2gx4 s PRO 52 N -0.66 4.26 -0.40 1.20 0.04 -0.54 -5.02 135.00 133.88 2gx4 s PRO 52 Ca 0.32 1.57 -0.00 0.00 0.04 0.00 0.00 61.00 62.92 2gx4 s PRO 52 Cb 0.27 -2.67 0.11 0.00 0.04 0.00 0.00 34.50 32.25 2gx4 s PRO 52 CO -0.12 -0.07 0.17 1.21 0.04 0.00 0.00 177.00 178.23 2gx4 s ASN 53 N -1.43 5.07 0.22 6.66 3.84 -1.26 -4.99 114.94 123.04 2gx4 s ASN 53 Ca 0.55 -2.16 -0.09 0.00 0.21 0.00 0.00 52.86 51.37 2gx4 s ASN 53 Cb -0.24 -1.76 0.17 0.00 -0.55 0.00 0.00 41.25 38.87 2gx4 s ASN 53 CO 0.30 -0.47 1.88 1.88 -2.79 0.00 0.00 177.10 177.90 2gx4 h TYR 54 N 7.79 1.03 -0.58 0.43 -1.99 -1.98 0.30 116.97 121.97 2gx4 h TYR 54 Ca -0.09 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.62 2gx4 h TYR 54 Cb 1.03 -0.34 -0.03 0.00 2.00 0.00 0.00 36.73 39.39 2gx4 h TYR 54 CO 0.53 0.67 0.23 1.05 -0.00 0.00 0.00 178.16 180.64 2gx4 h GLU 55 N 1.09 0.85 -0.05 4.88 4.11 -1.98 0.52 114.58 124.00 2gx4 h GLU 55 Ca 0.29 -0.13 -0.03 0.00 0.07 0.00 0.00 59.36 59.56 2gx4 h GLU 55 Cb -0.09 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.01 2gx4 h GLU 55 CO -0.06 0.70 -0.09 0.22 0.07 0.00 0.00 179.01 179.85 2gx4 h ASP 56 N 0.84 0.16 -0.39 3.06 3.58 -1.87 -2.27 116.42 119.53 2gx4 h ASP 56 Ca 0.20 -0.55 -0.05 0.00 0.42 0.00 0.00 57.03 57.05 2gx4 h ASP 56 Cb 0.17 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 2gx4 h ASP 56 CO -0.02 0.68 0.08 -0.07 -2.88 0.00 0.00 179.24 177.03 2gx4 h LEU 57 N -0.35 0.67 -0.15 2.28 3.38 -0.66 -3.15 115.31 117.33 2gx4 h LEU 57 Ca 0.00 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 2gx4 h LEU 57 Cb 0.65 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2gx4 h LEU 57 CO 0.02 0.69 -0.34 0.25 0.09 0.00 0.00 178.44 179.15 2gx4 h LEU 58 N 0.69 0.57 -2.39 1.67 5.85 0.04 -3.07 115.31 118.67 2gx4 h LEU 58 Ca 0.15 -0.57 0.03 0.00 0.84 0.00 0.00 57.88 58.33 2gx4 h LEU 58 Cb 0.32 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 2gx4 h LEU 58 CO 0.00 1.03 0.14 -0.29 -0.34 0.00 0.00 178.44 178.99 2gx4 h ILE 59 N 0.13 0.34 0.00 4.05 2.10 -1.36 0.01 117.51 122.78 2gx4 h ILE 59 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2gx4 h ILE 59 Cb 0.95 0.88 0.00 0.00 -1.09 0.00 0.00 36.82 37.55 2gx4 h ILE 59 CO 0.08 0.00 0.00 0.54 -1.08 0.00 0.00 178.15 177.69 2gx4 n ARG 60 N -3.58 0.95 -4.40 2.19 1.74 -1.16 -4.85 116.66 107.56 2gx4 n ARG 60 Ca -0.00 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.87 2gx4 n ARG 60 Cb 0.24 -1.35 -0.10 0.00 -1.02 0.00 0.00 32.46 30.22 2gx4 n ARG 60 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2gx4 s LYS 61 N -2.00 1.48 0.49 5.56 1.02 -0.01 -5.12 119.74 121.16 2gx4 s LYS 61 Ca 0.32 -1.72 0.02 0.00 0.02 0.00 0.00 55.97 54.61 2gx4 s LYS 61 Cb 0.15 -1.17 -0.02 0.00 -0.52 0.00 0.00 37.83 36.27 2gx4 s LYS 61 CO 0.25 0.10 0.02 -1.54 -0.92 0.00 0.00 175.35 173.26 2gx4 s SER 62 N -3.40 3.91 0.23 2.83 1.04 -1.26 -5.00 113.70 112.05 2gx4 s SER 62 Ca 0.27 -1.63 -0.06 0.00 0.48 0.00 0.00 55.95 55.01 2gx4 s SER 62 Cb 0.02 0.44 0.38 0.00 0.10 0.00 0.00 66.02 66.96 2gx4 s SER 62 CO 0.10 -0.83 1.75 0.78 0.98 0.00 0.00 173.24 176.02 2gx4 h ASN 63 N 1.45 0.31 0.00 7.02 2.35 -1.93 0.91 115.58 125.70 2gx4 h ASN 63 Ca -0.43 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.41 2gx4 h ASN 63 Cb 1.30 0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.73 2gx4 h ASN 63 CO 0.72 0.15 0.00 0.00 -1.65 0.00 0.00 177.43 176.66 2gx4 n HIS 64 N -4.96 0.00 0.71 1.19 1.44 -1.26 -2.20 115.22 110.13 2gx4 n HIS 64 Ca 0.12 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.96 2gx4 n HIS 64 Cb 0.34 0.00 0.47 0.00 0.12 0.00 0.00 29.99 30.93 2gx4 n HIS 64 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2gx4 n SER 65 N -0.80 0.51 -4.52 4.39 7.64 0.31 -4.74 113.62 116.41 2gx4 n SER 65 Ca 0.12 0.56 -0.34 0.00 1.01 0.00 0.00 58.87 60.22 2gx4 n SER 65 Cb 0.05 -0.69 -0.12 0.00 -1.01 0.00 0.00 64.21 62.44 2gx4 n SER 65 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2gx4 s PHE 66 N -3.09 3.01 -0.26 1.43 0.08 -0.94 -4.48 117.98 113.74 2gx4 s PHE 66 Ca 0.11 -0.21 -0.05 0.00 0.12 0.00 0.00 56.93 56.90 2gx4 s PHE 66 Cb 0.14 -1.89 0.01 0.00 -0.57 0.00 0.00 43.02 40.70 2gx4 s PHE 66 CO 0.54 0.07 0.01 -1.17 -0.10 0.00 0.00 175.22 174.56 2gx4 s LEU 67 N 0.04 3.38 -0.21 -0.37 0.20 -0.16 -4.80 118.68 116.77 2gx4 s LEU 67 Ca -0.00 -0.65 -0.01 0.00 0.69 0.00 0.00 54.13 54.17 2gx4 s LEU 67 Cb -0.13 -1.78 0.02 0.00 -0.43 0.00 0.00 46.19 43.86 2gx4 s LEU 67 CO 0.03 -0.12 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.15 2gx4 s VAL 68 N 1.45 2.56 -0.14 1.68 1.01 -1.26 -0.27 120.40 125.42 2gx4 s VAL 68 Ca 0.03 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.15 2gx4 s VAL 68 Cb -0.16 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.05 2gx4 s VAL 68 CO -0.01 0.41 -0.21 -1.58 0.00 0.00 0.00 175.10 173.71 2gx4 s GLN 69 N 1.33 3.06 -0.36 2.72 0.74 -0.15 0.28 119.66 127.29 2gx4 s GLN 69 Ca 0.03 -0.83 -0.09 0.00 0.05 0.00 0.00 55.36 54.52 2gx4 s GLN 69 Cb -0.14 -2.47 0.03 0.00 1.10 0.00 0.00 33.01 31.53 2gx4 s GLN 69 CO -0.08 -0.00 0.15 0.00 -0.55 0.00 0.00 175.29 174.81 2gx4 s ALA 70 N 0.80 3.15 0.00 1.58 0.00 0.75 -1.26 121.76 126.79 2gx4 s ALA 70 Ca -0.07 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.15 2gx4 s ALA 70 Cb -0.16 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.54 2gx4 s ALA 70 CO -0.01 -1.37 0.00 0.41 0.00 0.00 0.00 175.76 174.79 2gx4 n GLY 71 N 4.90 2.23 0.44 0.00 0.00 -1.26 -0.53 105.19 110.97 2gx4 n GLY 71 Ca -0.12 0.20 0.07 0.00 0.00 0.00 0.00 46.02 46.17 2gx4 n GLY 71 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2gx4 n ASN 72 N 10.76 2.41 -4.14 1.61 2.85 -1.26 -4.99 115.26 122.49 2gx4 n ASN 72 Ca 0.00 -3.37 -0.30 0.00 -0.11 0.00 0.00 54.58 50.80 2gx4 n ASN 72 Cb 0.00 -0.49 -0.17 0.00 1.24 0.00 0.00 39.78 40.36 2gx4 n ASN 72 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 2gx4 s VAL 73 N -3.01 1.78 0.28 3.44 1.01 0.32 -5.12 120.40 119.10 2gx4 s VAL 73 Ca 0.36 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 2gx4 s VAL 73 Cb 0.33 -1.57 -0.09 0.00 0.00 0.00 0.00 36.38 35.04 2gx4 s VAL 73 CO 0.01 0.50 0.99 -1.10 0.00 0.00 0.00 175.10 175.50 2gx4 s GLN 74 N 0.63 4.69 -0.12 2.72 -1.52 -1.26 -0.18 119.66 124.61 2gx4 s GLN 74 Ca -0.13 1.55 -0.01 0.00 -1.95 0.00 0.00 55.36 54.81 2gx4 s GLN 74 Cb -0.16 -3.11 -0.02 0.00 -0.22 0.00 0.00 33.01 29.49 2gx4 s GLN 74 CO 0.04 0.34 -0.07 -0.51 -0.25 0.00 0.00 175.29 174.83 2gx4 s LEU 75 N -1.53 3.07 -0.31 2.90 1.02 0.14 -4.89 118.68 119.08 2gx4 s LEU 75 Ca 0.45 -0.16 -0.25 0.00 0.02 0.00 0.00 54.13 54.20 2gx4 s LEU 75 Cb -0.26 -1.71 0.00 0.00 0.02 0.00 0.00 46.19 44.25 2gx4 s LEU 75 CO 0.33 0.22 0.84 -0.60 0.02 0.00 0.00 176.35 177.16 2gx4 s ARG 76 N 0.04 3.98 -0.11 1.70 3.52 -1.26 -4.20 118.95 122.61 2gx4 s ARG 76 Ca -0.02 0.68 -0.27 0.00 -0.13 0.00 0.00 55.73 55.99 2gx4 s ARG 76 Cb -0.14 -3.73 -0.02 0.00 -1.56 0.00 0.00 34.95 29.50 2gx4 s ARG 76 CO 0.03 -0.72 0.89 0.54 -0.81 0.00 0.00 175.30 175.23 2gx4 s VAL 77 N 3.09 4.87 -0.18 7.11 0.11 -1.26 -0.22 120.40 133.92 2gx4 s VAL 77 Ca 0.35 1.80 0.15 0.00 -2.93 0.00 0.00 61.98 61.35 2gx4 s VAL 77 Cb -0.14 -4.21 0.37 0.00 -1.53 0.00 0.00 36.38 30.87 2gx4 s VAL 77 CO 0.13 0.06 1.20 2.30 -3.33 0.00 0.00 175.10 175.47 2gx4 n ILE 78 N 4.45 2.08 0.00 7.04 -5.35 0.96 -4.65 119.36 123.89 2gx4 n ILE 78 Ca 0.05 -2.75 0.00 0.00 -0.27 0.00 0.00 62.75 59.79 2gx4 n ILE 78 Cb 0.49 -0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.15 2gx4 n ILE 78 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gx4 n GLY 79 N -1.25 2.37 3.48 3.28 0.00 -1.22 -4.93 105.19 106.93 2gx4 n GLY 79 Ca 0.18 -0.74 -0.17 0.00 0.00 0.00 0.00 46.02 45.29 2gx4 n GLY 79 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2gx4 s HIS 80 N -2.00 -0.60 0.20 1.61 -3.43 -1.26 -1.55 115.29 108.27 2gx4 s HIS 80 Ca 0.00 1.00 -0.16 0.00 -0.80 0.00 0.00 55.06 55.10 2gx4 s HIS 80 Cb 0.00 0.38 0.02 0.00 -1.43 0.00 0.00 32.58 31.54 2gx4 s HIS 80 CO 0.00 -0.59 0.51 -1.54 -2.00 0.00 0.00 174.74 171.12 2gx4 s SER 81 N -1.25 -0.21 -0.18 7.38 1.04 -0.72 -4.99 113.70 114.78 2gx4 s SER 81 Ca -0.11 -0.59 -0.01 0.00 0.48 0.00 0.00 55.95 55.73 2gx4 s SER 81 Cb -0.01 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2gx4 s SER 81 CO 0.09 -1.07 -0.14 -0.32 0.98 0.00 0.00 173.24 172.78 2gx4 s MET 82 N -3.90 3.19 -0.38 4.02 1.75 -1.26 -0.59 119.30 122.12 2gx4 s MET 82 Ca 0.12 -0.74 0.01 0.00 -1.25 0.00 0.00 55.69 53.83 2gx4 s MET 82 Cb -0.01 -2.72 0.11 0.00 2.84 0.00 0.00 34.83 35.05 2gx4 s MET 82 CO -0.00 -0.12 0.13 -1.14 -0.65 0.00 0.00 175.02 173.24 2gx4 s GLN 83 N 1.15 1.73 7.79 4.11 0.74 -0.45 -4.99 119.66 129.75 2gx4 s GLN 83 Ca 0.01 -1.91 0.00 0.00 0.05 0.00 0.00 55.36 53.51 2gx4 s GLN 83 Cb -0.14 -3.37 0.00 0.00 1.10 0.00 0.00 33.01 30.60 2gx4 s GLN 83 CO -0.05 -1.00 0.00 0.09 -0.55 0.00 0.00 175.29 173.77 2gx4 n ASN 84 N 4.30 0.00 -1.02 6.67 3.02 -1.26 -1.67 115.26 125.30 2gx4 n ASN 84 Ca 0.02 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.63 2gx4 n ASN 84 Cb 0.41 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 39.80 2gx4 n ASN 84 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gx4 s LEU 86 N -1.25 2.83 -0.07 0.00 1.43 -0.67 -1.24 118.68 119.72 2gx4 s LEU 86 Ca 0.31 -0.94 0.01 0.00 -1.03 0.00 0.00 54.13 52.48 2gx4 s LEU 86 Cb 0.19 -1.30 -0.03 0.00 0.03 0.00 0.00 46.19 45.08 2gx4 s LEU 86 CO 0.16 -0.04 -0.07 -0.76 0.23 0.00 0.00 176.35 175.87 2gx4 s LEU 87 N -3.60 3.17 -0.39 1.79 1.43 0.23 -1.34 118.68 119.97 2gx4 s LEU 87 Ca 0.31 -0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 53.35 2gx4 s LEU 87 Cb -0.04 -1.69 0.09 0.00 0.03 0.00 0.00 46.19 44.58 2gx4 s LEU 87 CO 0.17 0.36 0.18 -0.13 0.23 0.00 0.00 176.35 177.16 2gx4 s ARG 88 N -0.82 2.30 -0.32 1.70 0.52 0.24 -2.76 118.95 119.82 2gx4 s ARG 88 Ca 0.12 -1.58 -0.12 0.00 -0.52 0.00 0.00 55.73 53.64 2gx4 s ARG 88 Cb -0.11 -3.56 -0.03 0.00 0.52 0.00 0.00 34.95 31.77 2gx4 s ARG 88 CO 0.01 -0.94 0.21 -0.51 0.02 0.00 0.00 175.30 174.10 2gx4 s LEU 89 N 1.26 4.30 -0.06 2.53 1.43 0.48 -1.76 118.68 126.85 2gx4 s LEU 89 Ca 0.04 -0.28 -0.23 0.00 -1.03 0.00 0.00 54.13 52.62 2gx4 s LEU 89 Cb -0.22 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 2gx4 s LEU 89 CO -0.01 -0.16 0.68 -0.75 0.23 0.00 0.00 176.35 176.33 2gx4 s LYS 90 N 1.73 4.43 0.25 1.70 2.20 -0.59 0.43 119.74 129.87 2gx4 s LYS 90 Ca 0.06 0.84 0.10 0.00 -0.36 0.00 0.00 55.97 56.61 2gx4 s LYS 90 Cb -0.17 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.67 2gx4 s LYS 90 CO 0.10 0.09 -0.05 0.14 -0.36 0.00 0.00 175.35 175.28 2gx4 s VAL 91 N 0.71 3.29 -1.04 4.02 -7.23 -0.74 -0.03 120.40 119.38 2gx4 s VAL 91 Ca 0.36 -1.90 0.13 0.00 -1.81 0.00 0.00 61.98 58.76 2gx4 s VAL 91 Cb -0.18 -2.73 0.12 0.00 0.56 0.00 0.00 36.38 34.16 2gx4 s VAL 91 CO 0.17 -0.31 1.40 -0.90 -0.31 0.00 0.00 175.10 175.16 2gx4 n ASP 92 N -0.63 0.00 -4.29 4.85 5.75 0.69 -4.74 116.55 118.18 2gx4 n ASP 92 Ca -0.07 0.46 -0.25 0.00 -0.01 0.00 0.00 54.79 54.92 2gx4 n ASP 92 Cb 0.58 -0.48 -0.13 0.00 -1.03 0.00 0.00 41.12 40.06 2gx4 n ASP 92 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2gx4 s THR 93 N -2.96 1.78 -0.19 2.12 2.01 -1.26 -5.05 115.64 112.09 2gx4 s THR 93 Ca 0.07 -1.49 -0.09 0.00 0.31 0.00 0.00 61.69 60.49 2gx4 s THR 93 Cb 0.08 -1.60 -0.05 0.00 0.01 0.00 0.00 72.50 70.95 2gx4 s THR 93 CO 0.23 0.03 0.12 -0.55 -0.69 0.00 0.00 174.62 173.76 2gx4 s SER 94 N -1.74 6.09 -0.07 3.53 0.15 -1.26 -4.31 113.70 116.09 2gx4 s SER 94 Ca 0.08 0.21 -0.29 0.00 0.70 0.00 0.00 55.95 56.64 2gx4 s SER 94 Cb -0.10 -2.06 -0.08 0.00 -1.71 0.00 0.00 66.02 62.08 2gx4 s SER 94 CO 0.04 0.19 2.07 -3.20 1.20 0.00 0.00 173.24 173.54 2gx4 n ASN 95 N 3.44 3.78 0.16 5.45 2.85 0.18 -4.86 115.26 126.26 2gx4 n ASN 95 Ca -0.16 0.63 0.06 0.00 -0.11 0.00 0.00 54.58 54.99 2gx4 n ASN 95 Cb 0.52 -1.53 0.54 0.00 1.24 0.00 0.00 39.78 40.55 2gx4 n ASN 95 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2gx4 h PRO 96 N 12.32 0.20 -0.01 1.20 0.11 -1.94 -2.20 132.00 141.67 2gx4 h PRO 96 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2gx4 h PRO 96 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2gx4 h PRO 96 CO 0.95 0.16 -0.01 1.63 -0.21 0.00 0.00 178.00 180.52 2gx4 n LYS 97 N -4.48 1.36 -1.66 1.05 5.02 -1.26 -4.93 118.16 113.26 2gx4 n LYS 97 Ca -0.01 -0.59 -0.56 0.00 -2.02 0.00 0.00 58.31 55.13 2gx4 n LYS 97 Cb 0.11 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.56 2gx4 n LYS 97 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 2gx4 n THR 98 N -0.31 0.31 -2.64 -0.18 -1.04 -0.83 -4.91 114.28 104.67 2gx4 n THR 98 Ca 0.20 -0.08 -0.23 0.00 -2.04 0.00 0.00 64.05 61.90 2gx4 n THR 98 Cb 0.27 -1.31 0.03 0.00 -1.82 0.00 0.00 70.33 67.50 2gx4 n THR 98 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2gx4 s PRO 99 N 4.07 2.65 0.26 -2.82 0.04 -1.26 -5.00 135.00 132.94 2gx4 s PRO 99 Ca 1.00 -0.58 -0.30 0.00 0.04 0.00 0.00 61.00 61.16 2gx4 s PRO 99 Cb -1.03 -2.45 -0.10 0.00 0.04 0.00 0.00 34.50 30.96 2gx4 s PRO 99 CO 0.63 -0.68 1.47 0.21 0.04 0.00 0.00 177.00 178.67 2gx4 s LYS 100 N -4.79 4.23 0.37 4.56 2.20 -1.26 -4.91 119.74 120.14 2gx4 s LYS 100 Ca 0.55 2.37 -0.10 0.00 -0.36 0.00 0.00 55.97 58.43 2gx4 s LYS 100 Cb -0.10 -3.09 0.03 0.00 -1.51 0.00 0.00 37.83 33.16 2gx4 s LYS 100 CO 0.40 -0.46 0.66 1.52 -0.36 0.00 0.00 175.35 177.10 2gx4 s TYR 101 N -0.07 0.50 0.07 4.03 -0.85 -1.26 -1.23 117.35 118.55 2gx4 s TYR 101 Ca 0.60 -0.99 -0.26 0.00 -0.52 0.00 0.00 57.07 55.89 2gx4 s TYR 101 Cb -0.43 0.46 0.09 0.00 0.38 0.00 0.00 41.96 42.45 2gx4 s TYR 101 CO 0.45 -1.39 0.80 -1.59 -1.52 0.00 0.00 175.55 172.30 2gx4 s LYS 102 N -2.65 1.03 -0.20 -3.49 -2.85 -0.74 -4.89 119.74 105.95 2gx4 s LYS 102 Ca 0.22 -0.41 -0.06 0.00 -1.00 0.00 0.00 55.97 54.72 2gx4 s LYS 102 Cb -0.03 0.46 -0.03 0.00 -2.06 0.00 0.00 37.83 36.17 2gx4 s LYS 102 CO 0.15 -0.45 0.02 -0.06 0.10 0.00 0.00 175.35 175.10 2gx4 s PHE 103 N -3.36 3.07 0.04 1.78 2.99 -1.26 -1.63 117.98 119.61 2gx4 s PHE 103 Ca 0.04 -0.37 0.06 0.00 0.00 0.00 0.00 56.93 56.66 2gx4 s PHE 103 Cb -0.01 -2.10 -0.02 0.00 0.00 0.00 0.00 43.02 40.89 2gx4 s PHE 103 CO -0.09 -0.19 -0.16 0.08 -0.00 0.00 0.00 175.22 174.86 2gx4 s VAL 104 N 0.97 1.30 -0.47 -0.44 1.01 -0.49 -4.97 120.40 117.31 2gx4 s VAL 104 Ca 0.02 -1.06 -0.15 0.00 0.00 0.00 0.00 61.98 60.79 2gx4 s VAL 104 Cb -0.14 -1.15 0.07 0.00 0.00 0.00 0.00 36.38 35.16 2gx4 s VAL 104 CO 0.02 0.08 0.40 -0.60 0.00 0.00 0.00 175.10 175.00 2gx4 s ARG 105 N -1.13 2.98 0.73 2.72 3.52 -1.26 -4.08 118.95 122.43 2gx4 s ARG 105 Ca 0.04 -1.36 -0.15 0.00 -0.13 0.00 0.00 55.73 54.13 2gx4 s ARG 105 Cb -0.08 -4.13 0.04 0.00 -1.56 0.00 0.00 34.95 29.22 2gx4 s ARG 105 CO 0.01 -1.03 1.21 -1.50 -0.81 0.00 0.00 175.30 173.18 2gx4 s ILE 106 N 1.64 2.28 0.13 4.11 1.10 -1.26 -5.03 121.20 124.18 2gx4 s ILE 106 Ca 0.04 0.14 0.04 0.00 -0.51 0.00 0.00 60.65 60.36 2gx4 s ILE 106 Cb -0.24 -2.71 -0.04 0.00 0.15 0.00 0.00 42.46 39.62 2gx4 s ILE 106 CO 0.07 -0.08 0.14 -1.58 -2.11 0.00 0.00 174.94 171.38 2gx4 s GLN 107 N -3.92 2.99 0.30 3.50 2.00 -1.26 -5.05 119.66 118.23 2gx4 s GLN 107 Ca 0.74 -0.76 -0.28 0.00 -2.00 0.00 0.00 55.36 53.05 2gx4 s GLN 107 Cb -0.29 -2.73 -0.13 0.00 0.80 0.00 0.00 33.01 30.66 2gx4 s GLN 107 CO 0.46 0.52 1.18 -2.30 -0.50 0.00 0.00 175.29 174.64 2gx4 n PRO 108 N -0.13 1.76 0.00 1.67 -0.02 -1.26 -1.50 135.00 135.52 2gx4 n PRO 108 Ca -0.08 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2gx4 n PRO 108 Cb 0.54 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 2gx4 n PRO 108 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gx4 n GLY 109 N 1.13 3.29 3.85 -1.23 0.00 0.94 -4.97 105.19 108.20 2gx4 n GLY 109 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 2gx4 n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2gx4 s GLN 110 N -0.60 3.32 0.30 1.61 -0.21 -0.56 -4.69 119.66 118.83 2gx4 s GLN 110 Ca 0.00 0.85 0.10 0.00 0.02 0.00 0.00 55.36 56.34 2gx4 s GLN 110 Cb 0.00 -2.04 -0.05 0.00 1.00 0.00 0.00 33.01 31.92 2gx4 s GLN 110 CO 0.00 -0.79 -0.08 0.95 -2.12 0.00 0.00 175.29 173.24 2gx4 s THR 111 N -3.09 2.69 0.16 -0.19 -4.23 -1.26 -0.10 115.64 109.62 2gx4 s THR 111 Ca 0.57 -2.15 -0.24 0.00 -1.18 0.00 0.00 61.69 58.68 2gx4 s THR 111 Cb -0.12 -2.61 0.06 0.00 1.34 0.00 0.00 72.50 71.17 2gx4 s THR 111 CO 0.53 -0.31 0.82 0.72 -0.54 0.00 0.00 174.62 175.85 2gx4 s PHE 112 N -2.49 -0.26 -0.06 3.99 -0.12 -0.66 -4.92 117.98 113.46 2gx4 s PHE 112 Ca 0.32 -0.04 -0.08 0.00 -0.05 0.00 0.00 56.93 57.09 2gx4 s PHE 112 Cb -0.03 0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 42.94 2gx4 s PHE 112 CO 0.17 -0.88 0.22 -1.12 -0.05 0.00 0.00 175.22 173.56 2gx4 s SER 113 N -2.81 6.48 -0.13 1.98 0.01 0.60 -1.76 113.70 118.06 2gx4 s SER 113 Ca 0.09 0.56 0.00 0.00 1.31 0.00 0.00 55.95 57.90 2gx4 s SER 113 Cb -0.02 -2.10 -0.01 0.00 0.21 0.00 0.00 66.02 64.10 2gx4 s SER 113 CO -0.01 0.34 -0.14 -0.69 0.41 0.00 0.00 173.24 173.15 2gx4 s VAL 114 N -1.13 2.97 -0.60 3.43 1.01 0.07 0.67 120.40 126.83 2gx4 s VAL 114 Ca 0.21 -0.69 -0.11 0.00 0.00 0.00 0.00 61.98 61.39 2gx4 s VAL 114 Cb -0.13 -2.24 0.15 0.00 0.00 0.00 0.00 36.38 34.16 2gx4 s VAL 114 CO 0.10 0.53 0.49 -0.22 0.00 0.00 0.00 175.10 176.00 2gx4 s LEU 115 N 0.36 5.99 0.11 3.92 2.96 -0.77 -2.02 118.68 129.22 2gx4 s LEU 115 Ca -0.12 -2.23 -0.31 0.00 -0.22 0.00 0.00 54.13 51.25 2gx4 s LEU 115 Cb -0.16 -2.07 -0.09 0.00 0.50 0.00 0.00 46.19 44.36 2gx4 s LEU 115 CO 0.06 -0.65 1.66 0.00 -1.32 0.00 0.00 176.35 176.11 2gx4 s ALA 116 N 0.89 3.73 0.10 5.97 0.00 0.55 -4.07 121.76 128.93 2gx4 s ALA 116 Ca 0.10 1.30 0.05 0.00 0.00 0.00 0.00 51.96 53.41 2gx4 s ALA 116 Cb -0.22 -3.69 -0.03 0.00 0.00 0.00 0.00 23.12 19.18 2gx4 s ALA 116 CO -0.02 -1.04 -0.13 0.00 0.00 0.00 0.00 175.76 174.57 2gx4 s TYR 118 N -1.94 -0.09 -1.39 0.00 2.02 -0.56 -4.12 117.35 111.26 2gx4 s TYR 118 Ca 0.04 0.32 -0.12 0.00 -0.37 0.00 0.00 57.07 56.94 2gx4 s TYR 118 Cb -0.06 -0.08 0.09 0.00 -0.40 0.00 0.00 41.96 41.51 2gx4 s TYR 118 CO 0.02 -0.11 0.60 0.09 -1.57 0.00 0.00 175.55 174.58 2gx4 n ASN 119 N 3.83 -3.71 0.00 2.29 3.02 -1.26 0.52 115.26 119.95 2gx4 n ASN 119 Ca -0.22 -0.56 0.00 0.00 -0.03 0.00 0.00 54.58 53.77 2gx4 n ASN 119 Cb 0.54 -3.05 0.00 0.00 -0.61 0.00 0.00 39.78 36.66 2gx4 n ASN 119 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gx4 n GLY 120 N -1.26 0.74 3.43 7.41 0.00 -1.26 -4.63 105.19 109.62 2gx4 n GLY 120 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2gx4 n GLY 120 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gx4 s SER 121 N -2.69 4.87 0.14 1.61 0.15 0.18 -4.34 113.70 113.63 2gx4 s SER 121 Ca 0.00 -0.23 -0.31 0.00 0.70 0.00 0.00 55.95 56.11 2gx4 s SER 121 Cb 0.00 -1.85 -0.10 0.00 -1.71 0.00 0.00 66.02 62.36 2gx4 s SER 121 CO 0.00 0.01 1.60 -2.84 1.20 0.00 0.00 173.24 173.21 2gx4 s PRO 122 N 1.30 4.21 -0.06 5.44 0.02 -1.26 -1.50 135.00 143.15 2gx4 s PRO 122 Ca 0.04 2.36 0.09 0.00 0.02 0.00 0.00 61.00 63.51 2gx4 s PRO 122 Cb -0.15 -3.29 -0.14 0.00 0.02 0.00 0.00 34.50 30.94 2gx4 s PRO 122 CO 0.02 -0.65 0.11 -1.13 -0.33 0.00 0.00 177.00 175.02 2gx4 n SER 123 N 4.48 2.61 -3.62 2.53 3.41 0.68 -4.95 113.62 118.76 2gx4 n SER 123 Ca 0.15 0.00 -0.04 0.00 -0.26 0.00 0.00 58.87 58.71 2gx4 n SER 123 Cb 0.39 1.04 -0.02 0.00 -0.26 0.00 0.00 64.21 65.36 2gx4 n SER 123 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2gx4 s GLY 124 N -3.79 -0.35 -0.01 5.00 0.00 -1.12 -5.00 107.32 102.04 2gx4 s GLY 124 Ca -0.04 0.78 0.01 0.00 0.00 0.00 0.00 44.72 45.46 2gx4 s GLY 124 CO 0.41 0.23 -0.03 0.54 0.00 0.00 0.00 173.10 174.25 2gx4 s VAL 125 N -2.93 0.26 0.11 1.40 0.11 -1.26 -0.33 120.40 117.76 2gx4 s VAL 125 Ca 0.10 -0.10 -0.17 0.00 -2.93 0.00 0.00 61.98 58.88 2gx4 s VAL 125 Cb -0.00 -0.25 0.04 0.00 -1.53 0.00 0.00 36.38 34.64 2gx4 s VAL 125 CO -0.04 0.10 0.43 -0.72 -3.33 0.00 0.00 175.10 171.53 2gx4 s TYR 126 N 0.18 -0.25 0.12 1.54 -0.85 -0.86 -4.95 117.35 112.28 2gx4 s TYR 126 Ca -0.02 0.00 -0.05 0.00 -0.52 0.00 0.00 57.07 56.49 2gx4 s TYR 126 Cb -0.04 0.28 -0.05 0.00 0.38 0.00 0.00 41.96 42.53 2gx4 s TYR 126 CO -0.00 -0.69 0.36 -1.14 -1.52 0.00 0.00 175.55 172.55 2gx4 s GLN 127 N -3.54 3.61 0.23 -3.49 2.00 -1.26 -0.75 119.66 116.45 2gx4 s GLN 127 Ca 0.01 -0.10 -0.18 0.00 -2.00 0.00 0.00 55.36 53.09 2gx4 s GLN 127 Cb 0.01 -2.89 0.02 0.00 0.80 0.00 0.00 33.01 30.96 2gx4 s GLN 127 CO -0.10 0.50 0.58 0.00 -0.50 0.00 0.00 175.29 175.76 2gx4 s ALA 129 N -3.90 2.79 -0.31 0.00 0.00 -1.26 -1.66 121.76 117.42 2gx4 s ALA 129 Ca 0.11 -1.24 -0.29 0.00 0.00 0.00 0.00 51.96 50.55 2gx4 s ALA 129 Cb -0.02 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.29 2gx4 s ALA 129 CO 0.01 0.61 1.24 1.41 0.00 0.00 0.00 175.76 179.03 2gx4 s MET 130 N -1.90 3.95 0.78 0.00 1.75 0.86 -4.59 119.30 120.14 2gx4 s MET 130 Ca 0.18 1.18 -0.11 0.00 -1.25 0.00 0.00 55.69 55.69 2gx4 s MET 130 Cb -0.11 -3.84 0.06 0.00 2.84 0.00 0.00 34.83 33.78 2gx4 s MET 130 CO 0.10 -1.08 1.11 1.03 -0.65 0.00 0.00 175.02 175.53 2gx4 s ARG 131 N 4.05 2.11 0.45 4.11 1.81 -0.03 -0.04 118.95 131.40 2gx4 s ARG 131 Ca 0.53 1.29 0.13 0.00 -1.72 0.00 0.00 55.73 55.95 2gx4 s ARG 131 Cb -0.15 -1.87 1.00 0.00 -0.45 0.00 0.00 34.95 33.47 2gx4 s ARG 131 CO 0.22 -1.77 2.02 -1.35 -0.68 0.00 0.00 175.30 173.74 2gx4 h PRO 132 N -1.07 0.13 -0.48 3.54 0.11 -1.87 -1.00 132.00 131.36 2gx4 h PRO 132 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2gx4 h PRO 132 Cb 1.24 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2gx4 h PRO 132 CO 0.50 0.21 0.00 0.27 -0.21 0.00 0.00 178.00 178.77 2gx4 n ASN 133 N -4.39 1.70 -1.09 -2.05 6.94 -1.26 -4.90 115.26 110.20 2gx4 n ASN 133 Ca -0.01 -2.11 -0.12 0.00 -0.02 0.00 0.00 54.58 52.32 2gx4 n ASN 133 Cb 0.19 -0.31 -0.03 0.00 -2.36 0.00 0.00 39.78 37.27 2gx4 n ASN 133 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 2gx4 n HIS 134 N 0.17 -0.26 -4.60 -2.53 8.25 -0.38 -4.56 115.22 111.31 2gx4 n HIS 134 Ca 0.08 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.27 2gx4 n HIS 134 Cb 0.33 -2.39 -0.10 0.00 1.12 0.00 0.00 29.99 28.95 2gx4 n HIS 134 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2gx4 s THR 135 N -2.50 1.53 0.04 1.59 -4.23 -1.26 -4.46 115.64 106.35 2gx4 s THR 135 Ca 0.00 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.55 2gx4 s THR 135 Cb 0.00 -2.73 -0.02 0.00 1.34 0.00 0.00 72.50 71.09 2gx4 s THR 135 CO 0.00 0.00 -0.11 0.27 -0.54 0.00 0.00 174.62 174.24 2gx4 s ILE 136 N -2.92 0.81 -1.13 2.99 -4.36 -0.50 -0.85 121.20 115.24 2gx4 s ILE 136 Ca 0.29 -1.01 -0.11 0.00 -0.26 0.00 0.00 60.65 59.55 2gx4 s ILE 136 Cb 0.07 -0.79 0.23 0.00 1.25 0.00 0.00 42.46 43.22 2gx4 s ILE 136 CO 0.14 -0.18 1.22 -0.54 0.24 0.00 0.00 174.94 175.82 2gx4 s LYS 137 N -1.33 4.12 0.00 0.37 1.02 -1.26 -0.62 119.74 122.04 2gx4 s LYS 137 Ca -0.04 -2.90 0.00 0.00 0.02 0.00 0.00 55.97 53.05 2gx4 s LYS 137 Cb -0.08 -4.75 0.00 0.00 -0.52 0.00 0.00 37.83 32.47 2gx4 s LYS 137 CO 0.01 -1.46 0.00 0.41 -0.92 0.00 0.00 175.35 173.39 2gx4 n GLY 138 N 3.37 1.85 2.55 -3.33 0.00 -1.26 -4.98 105.19 103.38 2gx4 n GLY 138 Ca 0.28 -2.06 -0.29 0.00 0.00 0.00 0.00 46.02 43.95 2gx4 n GLY 138 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gx4 s SER 139 N -1.00 3.39 0.00 1.61 0.15 -1.26 -4.96 113.70 111.63 2gx4 s SER 139 Ca 0.00 -1.80 0.04 0.00 0.70 0.00 0.00 55.95 54.90 2gx4 s SER 139 Cb 0.00 -0.49 -0.01 0.00 -1.71 0.00 0.00 66.02 63.80 2gx4 s SER 139 CO 0.00 -0.37 -0.14 -0.36 1.20 0.00 0.00 173.24 173.57 2gx4 s PHE 140 N 1.49 1.22 0.49 3.44 0.40 -1.26 -4.99 117.98 118.77 2gx4 s PHE 140 Ca 0.13 -0.26 0.03 0.00 -0.60 0.00 0.00 56.93 56.22 2gx4 s PHE 140 Cb -0.20 -0.77 -0.02 0.00 0.51 0.00 0.00 43.02 42.54 2gx4 s PHE 140 CO -0.17 -0.00 0.03 -0.51 0.70 0.00 0.00 175.22 175.26 2gx4 s LEU 141 N -0.56 2.43 0.33 -0.37 1.43 -1.26 -5.04 118.68 115.64 2gx4 s LEU 141 Ca 0.04 -1.57 -0.29 0.00 -1.03 0.00 0.00 54.13 51.28 2gx4 s LEU 141 Cb -0.06 -0.80 -0.11 0.00 0.03 0.00 0.00 46.19 45.25 2gx4 s LEU 141 CO 0.00 -0.79 1.56 -3.20 0.23 0.00 0.00 176.35 174.15 2gx4 n ASN 142 N -1.24 3.85 0.00 2.29 2.85 -1.26 -2.12 115.26 119.63 2gx4 n ASN 142 Ca -0.15 1.18 0.00 0.00 -0.11 0.00 0.00 54.58 55.49 2gx4 n ASN 142 Cb 0.67 -1.61 0.00 0.00 1.24 0.00 0.00 39.78 40.08 2gx4 n ASN 142 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2gx4 n GLY 143 N 1.50 0.46 0.05 8.20 0.00 -1.26 -4.96 105.19 109.18 2gx4 n GLY 143 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 2gx4 n GLY 143 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2gx4 n SER 144 N 0.00 0.55 -4.61 1.61 3.41 -0.90 -4.35 113.62 109.33 2gx4 n SER 144 Ca 0.00 0.22 -0.45 0.00 -0.26 0.00 0.00 58.87 58.37 2gx4 n SER 144 Cb 0.00 -0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 63.76 2gx4 n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gx4 n GLY 146 N 1.48 3.46 3.77 0.00 0.00 -0.73 -1.18 105.19 112.00 2gx4 n GLY 146 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 2gx4 n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gx4 s SER 147 N -0.91 6.03 0.26 1.61 0.01 -0.32 -4.51 113.70 115.87 2gx4 s SER 147 Ca 0.00 2.80 0.10 0.00 1.31 0.00 0.00 55.95 60.16 2gx4 s SER 147 Cb 0.00 -2.65 -0.05 0.00 0.21 0.00 0.00 66.02 63.54 2gx4 s SER 147 CO 0.00 -1.06 -0.10 0.68 0.41 0.00 0.00 173.24 173.18 2gx4 s VAL 148 N -1.24 3.01 0.01 3.43 -7.23 -1.26 -1.05 120.40 116.07 2gx4 s VAL 148 Ca 0.60 -2.08 0.03 0.00 -1.81 0.00 0.00 61.98 58.72 2gx4 s VAL 148 Cb -0.41 -2.58 -0.03 0.00 0.56 0.00 0.00 36.38 33.92 2gx4 s VAL 148 CO 0.53 -0.34 -0.06 -0.83 -0.31 0.00 0.00 175.10 174.08 2gx4 s GLY 149 N -3.47 1.77 0.25 2.32 0.00 0.79 -1.85 107.32 107.13 2gx4 s GLY 149 Ca 0.30 -1.02 -0.19 0.00 0.00 0.00 0.00 44.72 43.81 2gx4 s GLY 149 CO 0.17 -0.89 0.63 -0.11 0.00 0.00 0.00 173.10 172.91 2gx4 s PHE 150 N -1.02 -0.12 0.09 1.90 -0.12 0.21 -1.53 117.98 117.39 2gx4 s PHE 150 Ca 0.18 -0.27 0.03 0.00 -0.05 0.00 0.00 56.93 56.81 2gx4 s PHE 150 Cb -0.11 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 42.79 2gx4 s PHE 150 CO 0.08 -1.10 -0.09 -0.80 -0.05 0.00 0.00 175.22 173.26 2gx4 s ASN 151 N -2.91 1.29 -0.04 1.98 0.01 -0.63 -0.29 114.94 114.35 2gx4 s ASN 151 Ca 0.11 -0.82 0.03 0.00 -0.71 0.00 0.00 52.86 51.48 2gx4 s ASN 151 Cb -0.04 0.03 0.00 0.00 0.41 0.00 0.00 41.25 41.66 2gx4 s ASN 151 CO 0.03 -0.30 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.58 2gx4 s ILE 152 N -2.55 1.02 -0.20 0.60 1.01 -1.26 -0.43 121.20 119.39 2gx4 s ILE 152 Ca 0.05 -0.47 -0.00 0.00 0.00 0.00 0.00 60.65 60.22 2gx4 s ILE 152 Cb -0.02 -0.91 0.05 0.00 0.01 0.00 0.00 42.46 41.59 2gx4 s ILE 152 CO -0.01 0.31 -0.05 -1.81 0.00 0.00 0.00 174.94 173.38 2gx4 s ASP 153 N 0.28 3.27 1.48 3.58 1.01 -0.52 -4.98 116.67 120.78 2gx4 s ASP 153 Ca -0.06 -0.89 0.00 0.00 0.71 0.00 0.00 52.55 52.31 2gx4 s ASP 153 Cb -0.11 -1.02 0.00 0.00 1.01 0.00 0.00 42.92 42.80 2gx4 s ASP 153 CO 0.02 -0.21 0.00 -1.22 0.21 0.00 0.00 175.17 173.97 2gx4 n TYR 154 N 4.79 0.00 -0.62 4.23 4.02 -1.26 -0.56 117.16 127.77 2gx4 n TYR 154 Ca -0.12 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.80 2gx4 n TYR 154 Cb 0.46 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.83 2gx4 n TYR 154 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 2gx4 n ASP 155 N 10.15 1.78 -4.57 7.72 10.43 -1.26 -5.00 116.55 135.79 2gx4 n ASP 155 Ca 0.00 -2.28 -0.37 0.00 2.57 0.00 0.00 54.79 54.71 2gx4 n ASP 155 Cb 0.00 -0.16 -0.11 0.00 1.84 0.00 0.00 41.12 42.69 2gx4 n ASP 155 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2gx4 s VAL 157 N 1.32 5.02 -0.48 0.00 1.01 -0.36 -1.44 120.40 125.46 2gx4 s VAL 157 Ca 0.06 0.95 -0.15 0.00 0.00 0.00 0.00 61.98 62.84 2gx4 s VAL 157 Cb -0.15 -3.89 0.08 0.00 0.00 0.00 0.00 36.38 32.43 2gx4 s VAL 157 CO 0.06 0.03 0.41 -0.44 0.00 0.00 0.00 175.10 175.15 2gx4 s SER 158 N 1.54 6.12 0.15 3.32 0.01 0.43 -1.79 113.70 123.48 2gx4 s SER 158 Ca 0.23 -1.43 -0.30 0.00 1.31 0.00 0.00 55.95 55.77 2gx4 s SER 158 Cb -0.15 -2.18 -0.07 0.00 0.21 0.00 0.00 66.02 63.83 2gx4 s SER 158 CO 0.09 -0.68 1.01 -0.36 0.41 0.00 0.00 173.24 173.71 2gx4 s PHE 159 N 1.62 3.75 0.00 2.43 0.08 -0.65 -1.60 117.98 123.61 2gx4 s PHE 159 Ca 0.04 1.74 0.00 0.00 0.12 0.00 0.00 56.93 58.83 2gx4 s PHE 159 Cb -0.25 -3.13 0.00 0.00 -0.57 0.00 0.00 43.02 39.07 2gx4 s PHE 159 CO 0.06 -0.06 0.04 0.00 -0.10 0.00 0.00 175.22 175.15 2gx4 s TYR 161 N -0.19 -0.35 -0.03 0.00 5.04 -1.13 -4.24 117.35 116.45 2gx4 s TYR 161 Ca 0.00 0.80 0.02 0.00 -2.44 0.00 0.00 57.07 55.45 2gx4 s TYR 161 Cb 0.00 0.13 0.01 0.00 0.35 0.00 0.00 41.96 42.45 2gx4 s TYR 161 CO 0.00 -0.25 -0.07 1.41 -1.34 0.00 0.00 175.55 175.29 2gx4 s MET 162 N -0.22 0.93 0.17 4.97 -2.45 0.54 -0.15 119.30 123.09 2gx4 s MET 162 Ca -0.04 -0.24 -0.29 0.00 -1.25 0.00 0.00 55.69 53.88 2gx4 s MET 162 Cb -0.03 -0.87 -0.08 0.00 1.25 0.00 0.00 34.83 35.10 2gx4 s MET 162 CO 0.02 0.04 0.90 -1.58 1.05 0.00 0.00 175.02 175.45 2gx4 s HIS 163 N 0.44 3.90 0.00 4.11 2.46 -0.21 -1.57 115.29 124.41 2gx4 s HIS 163 Ca -0.07 1.79 0.00 0.00 0.47 0.00 0.00 55.06 57.25 2gx4 s HIS 163 Cb -0.11 -2.95 0.00 0.00 -0.13 0.00 0.00 32.58 29.40 2gx4 s HIS 163 CO 0.01 0.38 0.00 0.72 -2.47 0.00 0.00 174.74 173.37 2gx4 n HIS 164 N 2.02 0.00 -3.83 3.88 8.25 -1.10 -1.77 115.22 122.67 2gx4 n HIS 164 Ca -0.01 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.39 2gx4 n HIS 164 Cb 0.48 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.58 2gx4 n HIS 164 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gx4 s MET 165 N -1.56 1.64 0.07 -0.41 0.23 -0.82 -4.90 119.30 113.55 2gx4 s MET 165 Ca 0.00 -0.92 0.10 0.00 -1.03 0.00 0.00 55.69 53.84 2gx4 s MET 165 Cb 0.00 0.55 -0.03 0.00 -1.53 0.00 0.00 34.83 33.82 2gx4 s MET 165 CO 0.00 -0.75 -0.26 -2.00 -2.03 0.00 0.00 175.02 169.98 2gx4 s GLU 166 N -3.63 1.64 0.32 3.16 2.12 -1.26 -1.15 118.70 119.89 2gx4 s GLU 166 Ca 0.12 -1.18 0.07 0.00 0.36 0.00 0.00 54.97 54.34 2gx4 s GLU 166 Cb -0.05 -1.92 -0.02 0.00 0.26 0.00 0.00 34.13 32.41 2gx4 s GLU 166 CO 0.06 0.48 0.33 -0.51 -0.54 0.00 0.00 175.26 175.08 2gx4 s LEU 167 N -1.51 3.73 0.43 2.70 1.43 0.59 -4.95 118.68 121.10 2gx4 s LEU 167 Ca 0.12 -0.38 0.24 0.00 -1.03 0.00 0.00 54.13 53.08 2gx4 s LEU 167 Cb -0.10 -2.37 1.26 0.00 0.03 0.00 0.00 46.19 45.01 2gx4 s LEU 167 CO 0.03 -0.33 1.74 1.55 0.23 0.00 0.00 176.35 179.57 2gx4 h PRO 168 N 1.19 0.25 -0.02 1.29 0.13 -1.87 0.35 132.00 133.31 2gx4 h PRO 168 Ca -0.46 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2gx4 h PRO 168 Cb 1.25 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2gx4 h PRO 168 CO 0.57 0.16 0.00 0.25 -0.23 0.00 0.00 178.00 178.76 2gx4 n THR 169 N -4.57 0.02 -0.91 1.56 -2.24 -1.26 -4.85 114.28 102.03 2gx4 n THR 169 Ca 0.29 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 2gx4 n THR 169 Cb 1.09 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 2gx4 n THR 169 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gx4 n GLY 170 N 0.60 0.57 3.98 3.38 0.00 0.11 -5.04 105.19 108.79 2gx4 n GLY 170 Ca 0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 2gx4 n GLY 170 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2gx4 s VAL 171 N -2.11 3.13 0.12 1.61 -7.23 -1.24 -4.75 120.40 109.93 2gx4 s VAL 171 Ca 0.00 -0.78 0.10 0.00 -1.81 0.00 0.00 61.98 59.49 2gx4 s VAL 171 Cb 0.00 -3.12 -0.04 0.00 0.56 0.00 0.00 36.38 33.78 2gx4 s VAL 171 CO 0.00 -0.07 -0.25 -1.00 -0.31 0.00 0.00 175.10 173.47 2gx4 s HIS 172 N -2.54 2.16 0.07 2.82 0.09 0.21 -0.30 115.29 117.80 2gx4 s HIS 172 Ca 0.54 -0.39 0.05 0.00 -0.00 0.00 0.00 55.06 55.26 2gx4 s HIS 172 Cb -0.10 -1.17 -0.03 0.00 -0.00 0.00 0.00 32.58 31.28 2gx4 s HIS 172 CO 0.36 0.29 -0.14 0.00 -0.00 0.00 0.00 174.74 175.25 2gx4 s ALA 173 N -1.08 1.14 0.00 -1.40 0.00 -0.30 -1.41 121.76 118.71 2gx4 s ALA 173 Ca 0.12 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.09 2gx4 s ALA 173 Cb -0.10 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.93 2gx4 s ALA 173 CO 0.05 0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.38 2gx4 n GLY 174 N 1.29 2.01 3.49 0.00 0.00 -1.26 -1.93 105.19 108.79 2gx4 n GLY 174 Ca -0.21 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 2gx4 n GLY 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gx4 s THR 175 N -2.66 0.97 0.81 2.61 -4.23 -0.61 -1.35 115.64 111.17 2gx4 s THR 175 Ca 0.00 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.43 2gx4 s THR 175 Cb 0.00 -2.59 0.18 0.00 1.34 0.00 0.00 72.50 71.43 2gx4 s THR 175 CO 0.00 0.00 1.10 -0.90 -0.54 0.00 0.00 174.62 174.28 2gx4 n ASP 176 N -0.95 0.66 0.00 3.99 5.68 -0.70 -0.34 116.55 124.90 2gx4 n ASP 176 Ca -0.05 -1.75 0.01 0.00 -0.50 0.00 0.00 54.79 52.50 2gx4 n ASP 176 Cb 0.66 -0.79 0.05 0.00 -1.14 0.00 0.00 41.12 39.91 2gx4 n ASP 176 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2gx4 n LEU 177 N 0.00 0.00 -0.69 -2.12 7.99 -1.26 -1.81 117.00 119.11 2gx4 n LEU 177 Ca 0.16 0.00 0.08 0.00 -0.01 0.00 0.00 56.01 56.24 2gx4 n LEU 177 Cb 0.55 0.00 0.08 0.00 -0.11 0.00 0.00 43.42 43.94 2gx4 n LEU 177 CO 0.39 0.00 0.53 -0.62 -1.51 0.00 0.00 177.39 176.17 2gx4 n GLU 178 N -0.53 1.41 -0.71 3.23 1.02 -1.26 -4.97 120.64 118.82 2gx4 n GLU 178 Ca 0.01 -1.54 0.00 0.00 -0.02 0.00 0.00 57.16 55.61 2gx4 n GLU 178 Cb 0.01 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 2gx4 n GLU 178 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gx4 n GLY 179 N 0.95 0.66 3.63 0.62 0.00 -0.75 -4.38 105.19 105.93 2gx4 n GLY 179 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 2gx4 n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2gx4 s LYS 180 N -0.29 4.10 0.74 1.61 2.20 -1.26 -1.14 119.74 125.69 2gx4 s LYS 180 Ca 0.00 0.25 -0.15 0.00 -0.36 0.00 0.00 55.97 55.71 2gx4 s LYS 180 Cb 0.00 -3.62 0.04 0.00 -1.51 0.00 0.00 37.83 32.74 2gx4 s LYS 180 CO 0.00 -0.25 1.22 1.19 -0.36 0.00 0.00 175.35 177.16 2gx4 n PHE 181 N 5.18 1.50 -3.59 4.03 3.01 -1.26 -1.71 117.46 124.62 2gx4 n PHE 181 Ca -0.06 0.41 -0.36 0.00 1.01 0.00 0.00 57.45 58.45 2gx4 n PHE 181 Cb 0.50 -2.17 -0.08 0.00 -0.01 0.00 0.00 39.48 37.72 2gx4 n PHE 181 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 2gx4 s TYR 182 N -1.81 3.39 0.00 1.38 2.02 -0.45 -4.85 117.35 117.03 2gx4 s TYR 182 Ca 0.77 0.43 0.00 0.00 -0.37 0.00 0.00 57.07 57.90 2gx4 s TYR 182 Cb -0.33 -2.31 0.00 0.00 -0.40 0.00 0.00 41.96 38.91 2gx4 s TYR 182 CO 0.46 0.15 0.00 0.41 -1.57 0.00 0.00 175.55 175.01 2gx4 n GLY 183 N 3.78 -0.49 1.18 0.71 0.00 -1.26 -4.46 105.19 104.64 2gx4 n GLY 183 Ca -0.13 -1.80 -0.03 0.00 0.00 0.00 0.00 46.02 44.06 2gx4 n GLY 183 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2gx4 n PRO 184 N -0.53 1.76 -2.96 1.61 -0.04 -1.26 -4.93 135.00 128.64 2gx4 n PRO 184 Ca 0.00 -0.95 -0.31 0.00 -0.04 0.00 0.00 63.50 62.21 2gx4 n PRO 184 Cb 0.00 -1.53 -0.04 0.00 -0.04 0.00 0.00 33.50 31.89 2gx4 n PRO 184 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2gx4 s PHE 185 N -1.25 3.45 0.10 0.54 0.08 -1.26 -5.10 117.98 114.54 2gx4 s PHE 185 Ca 0.17 1.05 0.06 0.00 0.12 0.00 0.00 56.93 58.34 2gx4 s PHE 185 Cb 0.14 -2.44 -0.03 0.00 -0.57 0.00 0.00 43.02 40.12 2gx4 s PHE 185 CO 0.04 -0.04 -0.15 0.14 -0.10 0.00 0.00 175.22 175.11 2gx4 s VAL 186 N -2.26 1.33 -1.28 -0.44 -7.23 -1.26 -4.85 120.40 104.41 2gx4 s VAL 186 Ca 0.51 -1.54 -0.14 0.00 -1.81 0.00 0.00 61.98 59.01 2gx4 s VAL 186 Cb -0.10 -1.37 0.13 0.00 0.56 0.00 0.00 36.38 35.59 2gx4 s VAL 186 CO 0.28 -0.28 1.71 -0.90 -0.31 0.00 0.00 175.10 175.60 2gx4 n ASP 187 N 0.90 4.95 -3.73 4.85 5.75 -1.26 -4.83 116.55 123.18 2gx4 n ASP 187 Ca -0.18 -2.97 -0.13 0.00 -0.01 0.00 0.00 54.79 51.49 2gx4 n ASP 187 Cb 0.55 -1.61 -0.10 0.00 -1.03 0.00 0.00 41.12 38.94 2gx4 n ASP 187 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2gx4 s ARG 188 N 2.22 0.52 -0.24 0.11 3.52 -1.26 -4.88 118.95 118.93 2gx4 s ARG 188 Ca 0.46 0.44 -0.02 0.00 -0.13 0.00 0.00 55.73 56.47 2gx4 s ARG 188 Cb 0.04 0.25 0.06 0.00 -1.56 0.00 0.00 34.95 33.73 2gx4 s ARG 188 CO 0.01 -0.08 2.46 1.04 -0.81 0.00 0.00 175.30 177.92 2gx4 n GLN 189 N 2.57 1.83 -3.57 5.12 6.02 0.13 -4.87 117.38 124.61 2gx4 n GLN 189 Ca -0.15 -1.37 -0.28 0.00 -0.01 0.00 0.00 57.00 55.19 2gx4 n GLN 189 Cb 0.57 -1.69 -0.03 0.00 1.02 0.00 0.00 30.24 30.11 2gx4 n GLN 189 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2gx4 s THR 190 N -1.31 5.14 -0.06 5.09 -1.32 -1.26 -4.79 115.64 117.12 2gx4 s THR 190 Ca 0.38 -0.16 -0.36 0.00 -1.21 0.00 0.00 61.69 60.33 2gx4 s THR 190 Cb 0.24 -3.72 -0.14 0.00 -1.51 0.00 0.00 72.50 67.38 2gx4 s THR 190 CO -0.06 -0.19 1.68 0.00 -2.21 0.00 0.00 174.62 173.84 2gx4 n ALA 191 N -0.65 0.32 -3.13 11.08 0.00 -1.26 -4.98 120.51 121.90 2gx4 n ALA 191 Ca -0.03 0.39 -0.12 0.00 0.00 0.00 0.00 53.44 53.68 2gx4 n ALA 191 Cb 0.54 -2.31 -0.10 0.00 0.00 0.00 0.00 19.45 17.58 2gx4 n ALA 191 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2gx4 s GLN 192 N 2.60 0.51 -0.04 0.00 -0.21 -1.26 -5.16 119.66 116.10 2gx4 s GLN 192 Ca 0.90 -0.33 -0.07 0.00 0.02 0.00 0.00 55.36 55.88 2gx4 s GLN 192 Cb -0.85 0.22 0.01 0.00 1.00 0.00 0.00 33.01 33.39 2gx4 s GLN 192 CO 0.52 -0.12 0.16 0.00 -2.12 0.00 0.00 175.29 173.73 2gx4 s ALA 193 N -1.31 -0.40 0.54 6.09 0.00 -1.26 -4.59 121.76 120.83 2gx4 s ALA 193 Ca -0.14 0.23 -0.22 0.00 0.00 0.00 0.00 51.96 51.83 2gx4 s ALA 193 Cb -0.07 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.89 2gx4 s ALA 193 CO 0.02 -0.14 1.37 0.00 0.00 0.00 0.00 175.76 177.01 2gx4 s ALA 194 N -0.56 2.85 0.89 0.00 0.00 -1.26 -5.00 121.76 118.68 2gx4 s ALA 194 Ca -0.06 1.35 -0.14 0.00 0.00 0.00 0.00 51.96 53.11 2gx4 s ALA 194 Cb -0.04 -3.57 0.15 0.00 0.00 0.00 0.00 23.12 19.66 2gx4 s ALA 194 CO 0.01 -1.38 1.25 0.20 0.00 0.00 0.00 175.76 175.84 2gx4 s GLY 195 N -0.91 1.71 0.44 0.00 0.00 -1.26 -4.99 107.32 102.32 2gx4 s GLY 195 Ca 0.71 -1.03 -0.25 0.00 0.00 0.00 0.00 44.72 44.15 2gx4 s GLY 195 CO 0.49 -0.37 1.38 -0.51 0.00 0.00 0.00 173.10 174.08 2gx4 s THR 196 N -3.74 2.26 0.43 0.90 -4.23 -1.26 -4.89 115.64 105.11 2gx4 s THR 196 Ca 0.69 0.23 0.08 0.00 -1.18 0.00 0.00 61.69 61.51 2gx4 s THR 196 Cb -0.06 -3.14 -0.02 0.00 1.34 0.00 0.00 72.50 70.62 2gx4 s THR 196 CO 0.51 0.03 0.37 -0.62 -0.54 0.00 0.00 174.62 174.37 2gx4 s ASP 197 N -0.62 4.97 0.04 3.99 2.15 -1.26 -4.62 116.67 121.32 2gx4 s ASP 197 Ca 0.60 -0.81 -0.02 0.00 0.43 0.00 0.00 52.55 52.75 2gx4 s ASP 197 Cb -0.41 -0.47 -0.03 0.00 -0.30 0.00 0.00 42.92 41.71 2gx4 s ASP 197 CO 0.53 -0.69 0.01 0.28 -0.17 0.00 0.00 175.17 175.12 2gx4 s THR 198 N -2.51 0.17 0.28 1.71 -1.32 -1.26 -5.04 115.64 107.67 2gx4 s THR 198 Ca 0.47 -1.41 -0.29 0.00 -1.21 0.00 0.00 61.69 59.25 2gx4 s THR 198 Cb -0.03 -1.07 -0.09 0.00 -1.51 0.00 0.00 72.50 69.80 2gx4 s THR 198 CO 0.27 -0.78 1.04 -0.89 -2.21 0.00 0.00 174.62 172.06 2gx4 s THR 199 N -3.03 3.70 -1.02 5.08 2.01 -0.82 -4.68 115.64 116.88 2gx4 s THR 199 Ca -0.01 1.68 -0.22 0.00 0.31 0.00 0.00 61.69 63.45 2gx4 s THR 199 Cb 0.01 -4.05 0.07 0.00 0.01 0.00 0.00 72.50 68.54 2gx4 s THR 199 CO -0.07 0.37 1.39 -0.63 -0.69 0.00 0.00 174.62 175.00 2gx4 s ILE 200 N -1.21 4.14 0.21 1.82 1.01 -1.26 -1.69 121.20 124.22 2gx4 s ILE 200 Ca 0.44 -1.05 -0.14 0.00 0.00 0.00 0.00 60.65 59.90 2gx4 s ILE 200 Cb -0.29 -5.00 0.23 0.00 0.01 0.00 0.00 42.46 37.41 2gx4 s ILE 200 CO 0.37 -1.84 1.63 0.74 0.00 0.00 0.00 174.94 175.84 2gx4 h THR 201 N 6.46 0.37 -0.94 2.92 2.02 -1.93 -1.56 112.91 120.25 2gx4 h THR 201 Ca 0.21 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.48 2gx4 h THR 201 Cb 1.00 0.37 -0.08 0.00 -1.74 0.00 0.00 68.15 67.70 2gx4 h THR 201 CO 1.35 0.00 0.58 0.25 0.37 0.00 0.00 175.52 178.07 2gx4 h LEU 202 N -0.01 0.87 -0.45 2.58 5.85 -1.90 -1.86 115.31 120.39 2gx4 h LEU 202 Ca 0.30 0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.90 2gx4 h LEU 202 Cb 0.46 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2gx4 h LEU 202 CO -0.64 0.50 -0.39 0.78 -0.34 0.00 0.00 178.44 178.35 2gx4 h ASN 203 N 0.97 0.92 -0.59 1.25 4.21 -1.50 -1.53 115.58 119.30 2gx4 h ASN 203 Ca 0.45 -0.42 -0.02 0.00 1.21 0.00 0.00 56.30 57.52 2gx4 h ASN 203 Cb 0.37 -0.26 -0.03 0.00 -1.12 0.00 0.00 38.32 37.28 2gx4 h ASN 203 CO -0.24 1.19 0.31 0.58 -1.29 0.00 0.00 177.43 177.98 2gx4 h VAL 204 N 0.71 1.20 -0.62 2.81 2.07 -0.92 0.75 116.25 122.25 2gx4 h VAL 204 Ca 0.06 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 2gx4 h VAL 204 Cb 0.96 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 2gx4 h VAL 204 CO 0.09 0.22 0.32 -0.07 0.02 0.00 0.00 177.57 178.15 2gx4 h LEU 205 N 0.80 0.79 -0.59 2.57 3.38 -1.26 -1.16 115.31 119.85 2gx4 h LEU 205 Ca 0.21 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2gx4 h LEU 205 Cb 0.08 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2gx4 h LEU 205 CO -0.03 0.68 0.38 0.00 0.09 0.00 0.00 178.44 179.56 2gx4 h ALA 206 N 1.15 0.75 -0.56 1.53 0.00 -0.71 -1.91 119.26 119.51 2gx4 h ALA 206 Ca 0.22 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2gx4 h ALA 206 Cb 0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2gx4 h ALA 206 CO -0.03 0.20 0.25 2.35 0.00 0.00 0.00 179.25 182.02 2gx4 h TRP 207 N 0.80 0.79 -0.25 0.00 7.01 -0.42 -1.32 115.95 122.55 2gx4 h TRP 207 Ca 0.21 -0.03 -0.11 0.00 2.11 0.00 0.00 58.89 61.07 2gx4 h TRP 207 Cb -0.07 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 26.73 2gx4 h TRP 207 CO -0.03 0.59 -0.32 -0.07 -2.79 0.00 0.00 178.44 175.83 2gx4 h LEU 208 N 0.79 0.54 -0.80 0.65 3.38 -0.62 -1.86 115.31 117.40 2gx4 h LEU 208 Ca 0.19 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2gx4 h LEU 208 Cb 0.11 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2gx4 h LEU 208 CO -0.02 0.83 -0.09 1.88 0.09 0.00 0.00 178.44 181.12 2gx4 h TYR 209 N 0.45 0.89 -0.86 1.13 0.05 -0.59 -2.32 116.97 115.71 2gx4 h TYR 209 Ca 0.05 -0.16 -0.02 0.00 0.05 0.00 0.00 58.73 58.65 2gx4 h TYR 209 Cb 0.78 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 38.25 2gx4 h TYR 209 CO 0.03 0.86 0.45 0.00 -1.05 0.00 0.00 178.16 178.46 2gx4 h ALA 210 N 1.16 1.11 -0.73 3.88 0.00 -0.87 0.26 119.26 124.07 2gx4 h ALA 210 Ca 0.13 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2gx4 h ALA 210 Cb 0.58 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2gx4 h ALA 210 CO 0.04 0.63 0.47 0.00 0.00 0.00 0.00 179.25 180.39 2gx4 h ALA 211 N 1.25 0.93 -0.28 0.00 0.00 -0.84 -0.68 119.26 119.64 2gx4 h ALA 211 Ca 0.30 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 2gx4 h ALA 211 Cb 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2gx4 h ALA 211 CO -0.05 0.31 -0.02 0.28 0.00 0.00 0.00 179.25 179.77 2gx4 h VAL 212 N 0.95 1.26 -0.41 0.00 2.07 -0.91 -2.22 116.25 116.99 2gx4 h VAL 212 Ca 0.28 -0.97 0.12 0.00 0.82 0.00 0.00 66.70 66.94 2gx4 h VAL 212 Cb -0.07 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2gx4 h VAL 212 CO -0.08 0.31 0.30 0.40 0.02 0.00 0.00 177.57 178.52 2gx4 h ILE 213 N 0.28 0.80 -0.20 4.57 2.04 -0.50 -0.78 117.51 123.73 2gx4 h ILE 213 Ca 0.08 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.93 2gx4 h ILE 213 Cb 0.46 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2gx4 h ILE 213 CO 0.02 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.76 2gx4 n ASN 214 N -4.42 2.08 0.00 1.72 5.03 -0.30 -2.48 115.26 116.88 2gx4 n ASN 214 Ca 0.07 -1.77 0.00 0.00 0.87 0.00 0.00 54.58 53.75 2gx4 n ASN 214 Cb 0.48 -0.12 0.00 0.00 -1.02 0.00 0.00 39.78 39.11 2gx4 n ASN 214 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2gx4 n GLY 215 N 1.22 2.04 3.66 7.41 0.00 -0.30 -4.76 105.19 114.46 2gx4 n GLY 215 Ca 0.17 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 2gx4 n GLY 215 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2gx4 s ASP 216 N -0.35 5.00 -0.09 1.61 -4.77 -1.15 -4.87 116.67 112.06 2gx4 s ASP 216 Ca 0.00 -0.03 0.13 0.00 -3.30 0.00 0.00 52.55 49.34 2gx4 s ASP 216 Cb 0.00 -1.28 0.23 0.00 -1.09 0.00 0.00 42.92 40.78 2gx4 s ASP 216 CO 0.00 0.29 1.12 0.54 0.70 0.00 0.00 175.17 177.81 2gx4 n ARG 217 N 1.49 0.81 0.20 2.11 1.74 -1.26 -3.67 116.66 118.08 2gx4 n ARG 217 Ca -0.15 -2.14 0.07 0.00 -0.77 0.00 0.00 57.85 54.86 2gx4 n ARG 217 Cb 0.53 -1.07 0.59 0.00 -1.02 0.00 0.00 32.46 31.49 2gx4 n ARG 217 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 2gx4 h TRP 218 N 0.24 0.11 0.00 -1.55 5.08 -1.99 -2.49 115.95 115.34 2gx4 h TRP 218 Ca -0.02 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.95 2gx4 h TRP 218 Cb 1.21 -0.04 0.00 0.00 -3.00 0.00 0.00 29.16 27.33 2gx4 h TRP 218 CO 0.15 0.07 -0.23 1.97 -1.28 0.00 0.00 178.44 179.13 2gx4 n PHE 219 N -4.53 0.40 -1.07 0.12 1.16 -1.26 -4.90 117.46 107.38 2gx4 n PHE 219 Ca -0.02 0.12 -0.30 0.00 -1.87 0.00 0.00 57.45 55.38 2gx4 n PHE 219 Cb 0.09 -0.62 0.15 0.00 -1.61 0.00 0.00 39.48 37.49 2gx4 n PHE 219 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2gx4 s LEU 220 N -3.73 2.15 0.32 5.98 1.43 -0.94 -4.77 118.68 119.12 2gx4 s LEU 220 Ca 0.11 1.56 -0.03 0.00 -1.03 0.00 0.00 54.13 54.74 2gx4 s LEU 220 Cb 0.15 -3.92 -0.00 0.00 0.03 0.00 0.00 46.19 42.46 2gx4 s LEU 220 CO 0.62 -2.87 0.45 0.54 0.23 0.00 0.00 176.35 175.31 2gx4 s ASN 221 N -3.24 0.78 0.00 2.29 2.20 -1.26 -5.03 114.94 110.68 2gx4 s ASN 221 Ca 0.64 -1.42 0.28 0.00 -0.94 0.00 0.00 52.86 51.42 2gx4 s ASN 221 Cb -0.19 0.63 1.15 0.00 -2.00 0.00 0.00 41.25 40.84 2gx4 s ASN 221 CO 0.58 -1.24 1.81 -2.11 -2.94 0.00 0.00 177.10 173.20 2gx4 n ARG 222 N -0.53 0.75 -2.34 3.55 1.85 -1.26 -4.92 116.66 113.77 2gx4 n ARG 222 Ca 0.01 -0.30 -0.25 0.00 -1.00 0.00 0.00 57.85 56.31 2gx4 n ARG 222 Cb 0.62 -1.49 0.10 0.00 -1.05 0.00 0.00 32.46 30.63 2gx4 n ARG 222 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2gx4 s PHE 223 N -2.46 2.26 0.33 2.89 0.40 -1.26 -5.12 117.98 115.02 2gx4 s PHE 223 Ca 0.29 0.13 0.04 0.00 -0.60 0.00 0.00 56.93 56.78 2gx4 s PHE 223 Cb 0.20 -3.23 -0.02 0.00 0.51 0.00 0.00 43.02 40.48 2gx4 s PHE 223 CO 0.48 -1.64 0.33 -0.08 0.70 0.00 0.00 175.22 175.01 2gx4 s THR 224 N -3.25 0.00 0.17 0.64 -1.32 -1.26 -4.67 115.64 105.95 2gx4 s THR 224 Ca 0.64 -1.87 -0.19 0.00 -1.21 0.00 0.00 61.69 59.05 2gx4 s THR 224 Cb -0.08 -2.55 0.04 0.00 -1.51 0.00 0.00 72.50 68.41 2gx4 s THR 224 CO 0.45 0.00 0.53 0.28 -2.21 0.00 0.00 174.62 173.67 2gx4 s THR 225 N -3.36 0.03 0.28 5.08 -1.32 -1.23 -4.82 115.64 110.30 2gx4 s THR 225 Ca 0.37 -0.47 -0.19 0.00 -1.21 0.00 0.00 61.69 60.19 2gx4 s THR 225 Cb 0.02 -1.30 -0.09 0.00 -1.51 0.00 0.00 72.50 69.61 2gx4 s THR 225 CO 0.25 -0.12 0.78 -0.89 -2.21 0.00 0.00 174.62 172.42 2gx4 s THR 226 N -3.82 4.54 0.23 5.08 2.01 -1.26 -4.86 115.64 117.55 2gx4 s THR 226 Ca 0.05 1.28 -0.07 0.00 0.31 0.00 0.00 61.69 63.26 2gx4 s THR 226 Cb -0.01 -3.79 0.18 0.00 0.01 0.00 0.00 72.50 68.90 2gx4 s THR 226 CO -0.08 0.05 1.81 0.25 -0.69 0.00 0.00 174.62 175.96 2gx4 h LEU 227 N 2.93 0.63 -0.29 4.42 7.12 -1.98 -0.62 115.31 127.53 2gx4 h LEU 227 Ca -0.48 0.04 -0.02 0.00 0.13 0.00 0.00 57.88 57.55 2gx4 h LEU 227 Cb 1.19 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 41.22 2gx4 h LEU 227 CO 0.65 0.38 0.12 -1.13 -0.13 0.00 0.00 178.44 178.33 2gx4 h ASN 228 N 0.76 0.40 0.12 1.25 -0.73 -1.94 -2.10 115.58 113.34 2gx4 h ASN 228 Ca 0.35 -0.16 -0.05 0.00 1.87 0.00 0.00 56.30 58.31 2gx4 h ASN 228 Cb 0.26 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.74 2gx4 h ASN 228 CO -0.21 0.46 -0.17 0.44 -0.37 0.00 0.00 177.43 177.57 2gx4 h ASP 229 N 0.33 0.10 -0.23 1.15 3.45 -1.78 -2.50 116.42 116.93 2gx4 h ASP 229 Ca 0.10 -0.02 -0.06 0.00 0.43 0.00 0.00 57.03 57.47 2gx4 h ASP 229 Cb 0.18 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 38.92 2gx4 h ASP 229 CO -0.01 0.28 -0.11 0.15 -1.57 0.00 0.00 179.24 177.98 2gx4 h PHE 230 N 0.10 0.56 0.00 4.55 3.57 -0.81 -3.12 116.94 121.79 2gx4 h PHE 230 Ca 0.02 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 2gx4 h PHE 230 Cb 0.36 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 2gx4 h PHE 230 CO 0.00 0.75 -0.03 -0.91 -2.23 0.00 0.00 178.31 175.89 2gx4 h ASN 231 N 0.20 0.00 -0.35 0.41 2.35 -0.94 0.06 115.58 117.31 2gx4 h ASN 231 Ca 0.05 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.66 2gx4 h ASN 231 Cb 0.60 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 2gx4 h ASN 231 CO 0.03 0.03 -0.34 -0.07 -1.65 0.00 0.00 177.43 175.44 2gx4 h LEU 232 N 0.00 0.93 -0.58 1.61 3.38 -1.44 -1.98 115.31 117.23 2gx4 h LEU 232 Ca -0.00 -0.40 -0.13 0.00 0.09 0.00 0.00 57.88 57.44 2gx4 h LEU 232 Cb 0.11 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2gx4 h LEU 232 CO 0.00 1.18 -0.61 0.58 0.09 0.00 0.00 178.44 179.68 2gx4 h VAL 233 N 0.74 1.28 -0.21 1.22 2.07 -1.23 -3.20 116.25 116.92 2gx4 h VAL 233 Ca 0.07 -2.22 -0.02 0.00 0.82 0.00 0.00 66.70 65.35 2gx4 h VAL 233 Cb 0.91 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 2gx4 h VAL 233 CO 0.08 0.60 0.05 0.00 0.02 0.00 0.00 177.57 178.32 2gx4 h ALA 234 N 1.39 0.27 -0.94 1.67 0.00 -0.68 -2.91 119.26 118.06 2gx4 h ALA 234 Ca -0.01 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.79 2gx4 h ALA 234 Cb 1.20 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 2gx4 h ALA 234 CO 0.08 -0.08 0.61 0.52 0.00 0.00 0.00 179.25 180.38 2gx4 h MET 235 N 0.14 1.12 -0.73 0.00 2.86 -1.38 -0.49 114.93 116.45 2gx4 h MET 235 Ca 0.06 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2gx4 h MET 235 Cb 0.28 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 2gx4 h MET 235 CO 0.00 0.74 0.38 0.87 1.06 0.00 0.00 176.91 179.96 2gx4 h LYS 236 N 1.15 1.03 -0.66 1.72 1.57 -1.53 -2.75 116.57 117.10 2gx4 h LYS 236 Ca 0.39 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 2gx4 h LYS 236 Cb 0.07 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.18 2gx4 h LYS 236 CO -0.14 0.77 0.00 0.66 -0.57 0.00 0.00 179.45 180.17 2gx4 n TYR 237 N -4.34 1.18 -3.54 -1.35 4.02 -0.96 -4.95 117.16 107.22 2gx4 n TYR 237 Ca 0.07 -0.51 -0.19 0.00 -0.01 0.00 0.00 57.90 57.27 2gx4 n TYR 237 Cb 0.12 -0.13 0.07 0.00 -0.02 0.00 0.00 39.34 39.37 2gx4 n TYR 237 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2gx4 n ASN 238 N 1.23 -1.74 -4.67 7.72 5.15 -0.72 -4.89 115.26 117.33 2gx4 n ASN 238 Ca 0.23 -0.70 -0.30 0.00 -0.60 0.00 0.00 54.58 53.21 2gx4 n ASN 238 Cb 0.72 -4.70 -0.08 0.00 -0.53 0.00 0.00 39.78 35.19 2gx4 n ASN 238 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2gx4 s TYR 239 N -3.49 2.96 0.44 1.20 1.51 -0.27 -1.95 117.35 117.75 2gx4 s TYR 239 Ca 0.01 -0.04 -0.24 0.00 -1.01 0.00 0.00 57.07 55.78 2gx4 s TYR 239 Cb -0.00 -1.53 -0.08 0.00 -0.11 0.00 0.00 41.96 40.24 2gx4 s TYR 239 CO 0.76 0.47 1.26 -1.21 -1.11 0.00 0.00 175.55 175.72 2gx4 s GLU 240 N -2.24 3.80 0.49 -0.62 2.02 -0.68 -4.33 118.70 117.13 2gx4 s GLU 240 Ca 0.25 2.03 -0.23 0.00 0.02 0.00 0.00 54.97 57.03 2gx4 s GLU 240 Cb -0.12 -2.58 -0.07 0.00 0.10 0.00 0.00 34.13 31.47 2gx4 s GLU 240 CO 0.17 -0.59 1.31 -2.14 0.02 0.00 0.00 175.26 174.03 2gx4 s PRO 241 N -2.47 3.51 0.09 0.39 0.02 -1.26 -4.59 135.00 130.70 2gx4 s PRO 241 Ca 0.61 2.13 -0.21 0.00 0.02 0.00 0.00 61.00 63.55 2gx4 s PRO 241 Cb -0.35 -2.44 -0.07 0.00 0.02 0.00 0.00 34.50 31.66 2gx4 s PRO 241 CO 0.44 -0.86 0.62 -1.17 -0.33 0.00 0.00 177.00 175.70 2gx4 s LEU 242 N -3.10 4.54 0.42 -5.54 2.96 -1.26 -4.98 118.68 111.72 2gx4 s LEU 242 Ca 0.66 1.35 0.07 0.00 -0.22 0.00 0.00 54.13 55.98 2gx4 s LEU 242 Cb -0.37 -2.99 -0.06 0.00 0.50 0.00 0.00 46.19 43.26 2gx4 s LEU 242 CO 0.46 0.26 0.09 0.42 -1.32 0.00 0.00 176.35 176.26 2gx4 s THR 243 N -1.11 2.08 0.33 3.68 -4.23 -1.26 -4.96 115.64 110.18 2gx4 s THR 243 Ca 0.30 -1.86 0.07 0.00 -1.18 0.00 0.00 61.69 59.03 2gx4 s THR 243 Cb -0.20 -2.95 0.09 0.00 1.34 0.00 0.00 72.50 70.78 2gx4 s THR 243 CO 0.21 0.00 1.80 -0.61 -0.54 0.00 0.00 174.62 175.48 2gx4 h GLN 244 N 1.59 0.27 -0.78 3.99 5.75 -1.99 -1.69 115.11 122.25 2gx4 h GLN 244 Ca -0.43 -0.09 -0.02 0.00 -0.15 0.00 0.00 58.65 57.95 2gx4 h GLN 244 Cb 1.25 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.74 2gx4 h GLN 244 CO 0.76 0.52 0.39 -0.44 -2.65 0.00 0.00 178.83 177.41 2gx4 h ASP 245 N 0.24 1.00 -0.60 -0.69 3.45 -1.99 0.71 116.42 118.53 2gx4 h ASP 245 Ca 0.04 -0.12 -0.08 0.00 0.43 0.00 0.00 57.03 57.30 2gx4 h ASP 245 Cb 0.60 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 39.09 2gx4 h ASP 245 CO 0.04 0.84 0.08 0.45 -1.57 0.00 0.00 179.24 179.09 2gx4 h HIS 246 N 1.09 1.10 -0.41 4.55 3.86 -1.80 -0.94 115.15 122.60 2gx4 h HIS 246 Ca 0.27 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 2gx4 h HIS 246 Cb 0.09 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.24 2gx4 h HIS 246 CO 0.01 0.94 0.20 0.28 0.86 0.00 0.00 177.93 180.22 2gx4 h VAL 247 N 0.97 1.17 -0.51 2.45 2.07 -0.73 -2.47 116.25 119.20 2gx4 h VAL 247 Ca 0.19 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.25 2gx4 h VAL 247 Cb 0.44 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2gx4 h VAL 247 CO 0.01 0.18 0.32 0.44 0.02 0.00 0.00 177.57 178.54 2gx4 h ASP 248 N 0.52 0.52 -0.76 0.57 3.45 -0.46 -2.62 116.42 117.65 2gx4 h ASP 248 Ca 0.14 0.00 0.02 0.00 0.43 0.00 0.00 57.03 57.62 2gx4 h ASP 248 Cb 0.11 -0.11 -0.04 0.00 -0.56 0.00 0.00 39.33 38.73 2gx4 h ASP 248 CO -0.02 0.37 0.50 0.40 -1.57 0.00 0.00 179.24 178.92 2gx4 h ILE 249 N 0.63 1.15 0.00 0.35 2.04 -0.95 -0.73 117.51 120.00 2gx4 h ILE 249 Ca 0.20 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2gx4 h ILE 249 Cb -0.00 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.18 2gx4 h ILE 249 CO -0.08 0.18 0.00 0.18 0.00 0.00 0.00 178.15 178.42 2gx4 n LEU 250 N -4.44 0.00 -0.01 1.44 4.77 -0.95 -4.24 117.00 113.57 2gx4 n LEU 250 Ca 0.09 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.98 2gx4 n LEU 250 Cb 0.08 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 2gx4 n LEU 250 CO 0.35 0.00 0.50 1.23 -1.33 0.00 0.00 177.39 178.15 2gx4 h GLY 251 N 3.85 -1.29 -0.06 -0.72 0.00 -1.08 -0.83 103.07 102.94 2gx4 h GLY 251 Ca 0.00 0.69 0.15 0.00 0.00 0.00 0.00 47.33 48.17 2gx4 h GLY 251 CO 0.00 -0.35 0.11 -2.55 0.00 0.00 0.00 176.54 173.75 2gx4 h PRO 252 N -0.35 0.21 -0.46 4.80 0.11 -1.82 -0.12 132.00 134.37 2gx4 h PRO 252 Ca 0.02 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.08 2gx4 h PRO 252 Cb 0.41 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 2gx4 h PRO 252 CO -0.28 0.14 0.11 -0.07 -0.21 0.00 0.00 178.00 177.70 2gx4 h LEU 253 N 0.22 0.64 -0.70 2.35 4.07 -1.79 -1.13 115.31 118.95 2gx4 h LEU 253 Ca 0.38 -0.10 -0.08 0.00 0.08 0.00 0.00 57.88 58.16 2gx4 h LEU 253 Cb 0.63 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 42.18 2gx4 h LEU 253 CO -0.51 0.63 0.09 -1.28 -1.08 0.00 0.00 178.44 176.29 2gx4 h SER 254 N 0.67 1.04 -0.44 -0.43 0.87 0.41 -2.54 113.55 113.14 2gx4 h SER 254 Ca 0.15 -0.25 -0.14 0.00 -1.23 0.00 0.00 61.79 60.32 2gx4 h SER 254 Cb 0.25 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2gx4 h SER 254 CO -0.00 1.04 -0.28 0.00 -0.53 0.00 0.00 176.83 177.06 2gx4 h ALA 255 N 1.07 0.63 0.00 6.23 0.00 -0.61 0.19 119.26 126.77 2gx4 h ALA 255 Ca 0.20 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 2gx4 h ALA 255 Cb 0.46 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2gx4 h ALA 255 CO 0.02 0.66 -0.37 0.37 0.00 0.00 0.00 179.25 179.93 2gx4 h GLN 256 N 0.81 0.00 0.00 0.00 4.15 -1.08 -3.13 115.11 115.87 2gx4 h GLN 256 Ca 0.09 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.51 2gx4 h GLN 256 Cb 0.86 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.55 2gx4 h GLN 256 CO 0.08 0.37 -0.83 0.25 -1.93 0.00 0.00 178.83 176.77 2gx4 n THR 257 N -3.87 0.00 -1.39 2.39 -2.24 -0.97 -4.63 114.28 103.57 2gx4 n THR 257 Ca -0.01 -0.13 -0.12 0.00 -2.27 0.00 0.00 64.05 61.52 2gx4 n THR 257 Cb 0.43 0.95 -0.05 0.00 -2.10 0.00 0.00 70.33 69.57 2gx4 n THR 257 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gx4 n GLY 258 N 1.40 1.24 3.32 3.38 0.00 0.62 -4.99 105.19 110.16 2gx4 n GLY 258 Ca 0.03 -0.46 -0.36 0.00 0.00 0.00 0.00 46.02 45.23 2gx4 n GLY 258 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gx4 s ILE 259 N -2.46 3.52 0.34 -0.61 1.01 -0.98 -5.03 121.20 117.01 2gx4 s ILE 259 Ca 0.00 -0.56 -0.29 0.00 0.00 0.00 0.00 60.65 59.80 2gx4 s ILE 259 Cb 0.00 -2.67 -0.11 0.00 0.01 0.00 0.00 42.46 39.68 2gx4 s ILE 259 CO 0.00 0.32 1.50 0.00 0.00 0.00 0.00 174.94 176.76 2gx4 n ALA 260 N 4.81 2.29 -0.11 9.38 0.00 -1.26 -4.55 120.51 131.06 2gx4 n ALA 260 Ca -0.17 0.35 -0.05 0.00 0.00 0.00 0.00 53.44 53.57 2gx4 n ALA 260 Cb 0.50 -2.41 0.01 0.00 0.00 0.00 0.00 19.45 17.55 2gx4 n ALA 260 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2gx4 h VAL 261 N 3.03 0.56 0.00 0.00 2.07 -1.93 0.11 116.25 120.09 2gx4 h VAL 261 Ca -0.49 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 2gx4 h VAL 261 Cb 1.24 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2gx4 h VAL 261 CO 0.69 0.00 -0.16 -0.07 0.02 0.00 0.00 177.57 178.05 2gx4 h LEU 262 N -0.04 0.00 -0.36 2.57 3.38 -1.90 0.13 115.31 119.09 2gx4 h LEU 262 Ca 0.19 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.97 2gx4 h LEU 262 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 2gx4 h LEU 262 CO -0.42 0.16 -0.70 0.44 0.09 0.00 0.00 178.44 178.01 2gx4 h ASP 263 N 0.00 0.65 0.03 -0.43 3.32 -1.20 -0.70 116.42 118.10 2gx4 h ASP 263 Ca -0.00 -0.41 -0.12 0.00 0.02 0.00 0.00 57.03 56.52 2gx4 h ASP 263 Cb 0.35 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2gx4 h ASP 263 CO 0.02 1.16 -0.38 -0.03 -1.72 0.00 0.00 179.24 178.29 2gx4 h MET 264 N 0.39 0.46 -0.62 3.56 4.05 0.35 -0.81 114.93 122.31 2gx4 h MET 264 Ca -0.03 -0.22 -0.05 0.00 -0.28 0.00 0.00 59.70 59.12 2gx4 h MET 264 Cb 1.28 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.05 2gx4 h MET 264 CO 0.13 0.77 0.18 0.00 0.23 0.00 0.00 176.91 178.22 2gx4 h ALA 266 N 1.28 0.92 -0.75 0.00 0.00 -0.54 0.32 119.26 120.49 2gx4 h ALA 266 Ca 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2gx4 h ALA 266 Cb 0.28 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2gx4 h ALA 266 CO -0.01 0.57 0.39 0.00 0.00 0.00 0.00 179.25 180.20 2gx4 h ALA 267 N 1.12 0.96 -0.32 0.00 0.00 0.11 -1.65 119.26 119.48 2gx4 h ALA 267 Ca 0.23 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2gx4 h ALA 267 Cb 0.26 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2gx4 h ALA 267 CO -0.01 0.50 -0.14 1.25 0.00 0.00 0.00 179.25 180.85 2gx4 h LEU 268 N 1.04 0.67 -0.82 0.00 6.46 0.02 -2.03 115.31 120.66 2gx4 h LEU 268 Ca 0.26 -0.40 0.10 0.00 -0.12 0.00 0.00 57.88 57.72 2gx4 h LEU 268 Cb 0.07 -0.19 -0.08 0.00 -0.73 0.00 0.00 40.66 39.74 2gx4 h LEU 268 CO -0.04 0.92 0.45 0.50 -0.62 0.00 0.00 178.44 179.66 2gx4 h LYS 269 N 0.42 0.73 -0.51 1.25 3.64 -0.11 -0.18 116.57 121.81 2gx4 h LYS 269 Ca 0.07 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 2gx4 h LYS 269 Cb 0.66 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 2gx4 h LYS 269 CO 0.04 0.48 -0.04 1.49 -2.27 0.00 0.00 179.45 179.16 2gx4 h GLU 270 N 0.75 0.93 -0.75 1.90 4.81 -1.09 -1.92 114.58 119.20 2gx4 h GLU 270 Ca 0.40 -0.31 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 2gx4 h GLU 270 Cb 0.40 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 2gx4 h GLU 270 CO -0.26 0.97 0.29 -0.07 -0.73 0.00 0.00 179.01 179.20 2gx4 h LEU 271 N 0.79 1.03 -0.85 1.64 3.38 -0.54 0.12 115.31 120.89 2gx4 h LEU 271 Ca 0.14 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.84 2gx4 h LEU 271 Cb 0.57 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2gx4 h LEU 271 CO 0.03 0.92 -0.34 -0.07 0.09 0.00 0.00 178.44 179.07 2gx4 h LEU 272 N 1.09 0.47 0.09 1.67 3.38 -0.91 0.84 115.31 121.94 2gx4 h LEU 272 Ca 0.25 -0.18 -0.27 0.00 0.09 0.00 0.00 57.88 57.76 2gx4 h LEU 272 Cb 0.22 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2gx4 h LEU 272 CO -0.02 0.78 -1.35 1.56 0.09 0.00 0.00 178.44 179.51 2gx4 h GLN 273 N 0.39 0.18 0.00 1.13 4.20 -0.91 -3.39 115.11 116.71 2gx4 h GLN 273 Ca 0.04 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.44 2gx4 h GLN 273 Cb 0.78 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.68 2gx4 h GLN 273 CO 0.06 1.07 -1.54 0.09 -0.67 0.00 0.00 178.83 177.84 2gx4 n ASN 274 N -3.42 1.93 0.00 1.46 3.02 0.38 -5.10 115.26 113.54 2gx4 n ASN 274 Ca -0.11 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 2gx4 n ASN 274 Cb 1.02 1.56 0.00 0.00 -0.61 0.00 0.00 39.78 41.75 2gx4 n ASN 274 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gx4 n GLY 275 N 1.73 -3.23 0.15 7.41 0.00 0.29 -4.59 105.19 106.95 2gx4 n GLY 275 Ca -0.02 -1.94 0.05 0.00 0.00 0.00 0.00 46.02 44.10 2gx4 n GLY 275 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2gx4 h MET 276 N 0.00 0.00 -4.37 1.61 2.86 -1.88 -3.44 114.93 109.70 2gx4 h MET 276 Ca 0.00 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.36 2gx4 h MET 276 Cb 0.00 0.00 0.10 0.00 0.06 0.00 0.00 31.60 31.76 2gx4 h MET 276 CO 0.00 0.37 -0.47 0.09 1.06 0.00 0.00 176.91 177.95 2gx4 n ASN 277 N -3.16 -5.06 -0.35 1.22 4.13 -1.26 -2.29 115.26 108.49 2gx4 n ASN 277 Ca 0.02 -0.38 -0.05 0.00 1.68 0.00 0.00 54.58 55.86 2gx4 n ASN 277 Cb 0.69 -3.66 -0.02 0.00 -1.54 0.00 0.00 39.78 35.26 2gx4 n ASN 277 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2gx4 n GLY 278 N -1.56 0.59 3.91 7.41 0.00 -1.26 -4.99 105.19 109.29 2gx4 n GLY 278 Ca 0.01 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 2gx4 n GLY 278 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gx4 s ARG 279 N -1.93 2.91 0.22 1.61 0.52 -0.97 -5.13 118.95 116.18 2gx4 s ARG 279 Ca 0.00 -1.16 0.10 0.00 -0.52 0.00 0.00 55.73 54.16 2gx4 s ARG 279 Cb 0.00 -2.63 -0.05 0.00 0.52 0.00 0.00 34.95 32.80 2gx4 s ARG 279 CO 0.00 0.11 -0.20 0.95 0.02 0.00 0.00 175.30 176.19 2gx4 s THR 280 N -2.23 2.16 -0.13 0.02 -4.23 -1.26 -4.69 115.64 105.29 2gx4 s THR 280 Ca 0.42 -2.16 0.01 0.00 -1.18 0.00 0.00 61.69 58.78 2gx4 s THR 280 Cb -0.07 -2.10 0.02 0.00 1.34 0.00 0.00 72.50 71.68 2gx4 s THR 280 CO 0.28 -0.34 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.24 2gx4 s ILE 281 N -2.26 1.56 -1.63 2.99 1.01 0.69 -4.68 121.20 118.89 2gx4 s ILE 281 Ca 0.23 -0.66 -0.18 0.00 0.00 0.00 0.00 60.65 60.04 2gx4 s ILE 281 Cb -0.05 -1.44 0.15 0.00 0.01 0.00 0.00 42.46 41.13 2gx4 s ILE 281 CO 0.10 0.45 0.73 0.18 0.00 0.00 0.00 174.94 176.41 2gx4 n LEU 282 N 4.41 -1.60 0.00 2.97 4.77 -1.26 0.48 117.00 126.77 2gx4 n LEU 282 Ca -0.18 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.89 2gx4 n LEU 282 Cb 0.51 -2.04 0.00 0.00 -2.33 0.00 0.00 43.42 39.55 2gx4 n LEU 282 CO 0.23 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 2gx4 n GLY 283 N -1.32 1.98 3.83 -0.72 0.00 -1.26 -4.93 105.19 102.77 2gx4 n GLY 283 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 2gx4 n GLY 283 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2gx4 s SER 284 N -3.45 6.00 0.00 1.61 0.15 0.18 -4.99 113.70 113.20 2gx4 s SER 284 Ca 0.00 0.26 0.25 0.00 0.70 0.00 0.00 55.95 57.16 2gx4 s SER 284 Cb 0.00 -1.81 0.52 0.00 -1.71 0.00 0.00 66.02 63.02 2gx4 s SER 284 CO 0.00 0.29 1.42 0.35 1.20 0.00 0.00 173.24 176.50 2gx4 n THR 285 N 1.23 0.00 -4.40 6.45 -2.24 -1.26 -0.22 114.28 113.84 2gx4 n THR 285 Ca -0.13 -0.20 -0.20 0.00 -2.27 0.00 0.00 64.05 61.25 2gx4 n THR 285 Cb 0.53 0.73 -0.10 0.00 -2.10 0.00 0.00 70.33 69.39 2gx4 n THR 285 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2gx4 s ILE 286 N -2.41 1.29 -0.31 2.28 -4.36 -1.26 -4.83 121.20 111.59 2gx4 s ILE 286 Ca 0.24 -2.05 -0.27 0.00 -0.26 0.00 0.00 60.65 58.31 2gx4 s ILE 286 Cb 0.19 -2.53 0.01 0.00 1.25 0.00 0.00 42.46 41.39 2gx4 s ILE 286 CO 0.50 -0.21 0.94 -0.76 0.24 0.00 0.00 174.94 175.66 2gx4 s LEU 287 N -3.41 4.02 0.16 0.37 1.43 -1.26 -4.89 118.68 115.09 2gx4 s LEU 287 Ca 0.31 0.89 -0.30 0.00 -1.03 0.00 0.00 54.13 54.01 2gx4 s LEU 287 Cb 0.06 -3.33 -0.07 0.00 0.03 0.00 0.00 46.19 42.88 2gx4 s LEU 287 CO 0.12 -0.75 0.94 -1.61 0.23 0.00 0.00 176.35 175.28 2gx4 s GLU 288 N 3.31 4.74 -0.10 1.70 0.41 -1.26 -4.97 118.70 122.53 2gx4 s GLU 288 Ca 0.39 1.43 0.14 0.00 -0.41 0.00 0.00 54.97 56.53 2gx4 s GLU 288 Cb -0.13 -3.34 0.24 0.00 -1.78 0.00 0.00 34.13 29.12 2gx4 s GLU 288 CO 0.13 0.34 1.12 -0.40 -0.49 0.00 0.00 175.26 175.97 2gx4 n ASP 289 N 2.27 1.65 -1.50 -0.19 3.85 -1.26 -3.68 116.55 117.69 2gx4 n ASP 289 Ca 0.00 -2.86 0.04 0.00 -0.71 0.00 0.00 54.79 51.26 2gx4 n ASP 289 Cb 0.48 -0.38 0.31 0.00 -1.35 0.00 0.00 41.12 40.19 2gx4 n ASP 289 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2gx4 n GLU 290 N -0.97 3.68 -3.99 0.11 1.02 -1.26 -4.69 120.64 114.54 2gx4 n GLU 290 Ca 0.12 -3.04 -0.29 0.00 -0.02 0.00 0.00 57.16 53.93 2gx4 n GLU 290 Cb 0.68 -2.07 -0.16 0.00 -0.02 0.00 0.00 31.44 29.87 2gx4 n GLU 290 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2gx4 s PHE 291 N -2.89 2.05 0.70 -0.32 0.40 -1.26 -4.81 117.98 111.86 2gx4 s PHE 291 Ca 0.50 -1.17 -0.10 0.00 -0.60 0.00 0.00 56.93 55.56 2gx4 s PHE 291 Cb 0.40 -1.52 0.03 0.00 0.51 0.00 0.00 43.02 42.43 2gx4 s PHE 291 CO 0.12 -0.65 1.06 0.95 0.70 0.00 0.00 175.22 177.40 2gx4 s THR 292 N 1.52 3.10 0.41 0.64 -4.23 -1.26 -4.38 115.64 111.44 2gx4 s THR 292 Ca 0.04 0.21 0.10 0.00 -1.18 0.00 0.00 61.69 60.86 2gx4 s THR 292 Cb -0.13 -3.33 0.30 0.00 1.34 0.00 0.00 72.50 70.68 2gx4 s THR 292 CO -0.10 -0.41 2.00 -0.65 -0.54 0.00 0.00 174.62 174.93 2gx4 h PRO 293 N -0.63 0.52 -0.43 3.99 0.11 -1.91 -1.15 132.00 132.51 2gx4 h PRO 293 Ca -0.45 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 2gx4 h PRO 293 Cb 1.28 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2gx4 h PRO 293 CO 0.63 0.34 0.11 0.35 -0.21 0.00 0.00 178.00 179.23 2gx4 h PHE 294 N 0.54 0.71 -0.63 0.65 3.57 -1.97 -2.44 116.94 117.37 2gx4 h PHE 294 Ca 0.24 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 2gx4 h PHE 294 Cb 0.27 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 2gx4 h PHE 294 CO -0.00 0.66 0.37 -0.44 -2.23 0.00 0.00 178.31 176.67 2gx4 h ASP 295 N 0.55 0.75 -0.01 0.41 3.32 -1.59 -0.91 116.42 118.94 2gx4 h ASP 295 Ca 0.13 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 2gx4 h ASP 295 Cb 0.30 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 2gx4 h ASP 295 CO -0.00 0.59 -0.00 0.58 -1.72 0.00 0.00 179.24 178.68 2gx4 h VAL 296 N 0.86 1.25 -0.71 -1.35 2.07 -1.07 -1.84 116.25 115.46 2gx4 h VAL 296 Ca 0.23 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 2gx4 h VAL 296 Cb -0.02 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 2gx4 h VAL 296 CO -0.04 0.19 0.32 0.58 0.02 0.00 0.00 177.57 178.64 2gx4 h VAL 297 N -0.30 1.23 -0.03 2.57 2.07 -1.29 0.12 116.25 120.63 2gx4 h VAL 297 Ca 0.00 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 66.84 2gx4 h VAL 297 Cb 0.32 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2gx4 h VAL 297 CO 0.00 0.28 -0.01 -0.09 0.02 0.00 0.00 177.57 177.77 2gx4 h ARG 298 N 1.02 -0.01 0.02 1.57 2.43 -1.10 -3.35 114.38 114.97 2gx4 h ARG 298 Ca 0.24 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 2gx4 h ARG 298 Cb 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2gx4 h ARG 298 CO -0.03 -0.01 -0.01 0.37 -1.51 0.00 0.00 179.97 178.79 2gx4 h GLN 299 N -0.01 -0.03 -7.15 0.20 4.15 -1.04 -3.47 115.11 107.75 2gx4 h GLN 299 Ca 0.01 0.00 -0.42 0.00 0.77 0.00 0.00 58.65 59.02 2gx4 h GLN 299 Cb 0.03 0.01 0.21 0.00 0.21 0.00 0.00 27.48 27.93 2gx4 h GLN 299 CO -0.03 0.52 -0.00 0.00 -1.93 0.00 0.00 178.83 177.38 2gx4 s SER 301 N -2.89 6.40 0.00 0.00 1.04 -1.26 -4.88 113.70 112.11 2gx4 s SER 301 Ca 0.68 0.75 0.25 0.00 0.48 0.00 0.00 55.95 58.11 2gx4 s SER 301 Cb -0.20 -2.16 1.43 0.00 0.10 0.00 0.00 66.02 65.19 2gx4 s SER 301 CO 0.62 -0.30 1.84 0.61 0.98 0.00 0.00 173.24 176.99 2gx4 n GLY 302 N -1.35 -0.85 3.19 7.32 0.00 -1.26 -4.65 105.19 107.60 2gx4 n GLY 302 Ca -0.01 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 2gx4 n GLY 302 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gx4 s VAL 303 N -2.13 2.35 0.58 1.61 1.01 -1.26 -5.04 120.40 117.52 2gx4 s VAL 303 Ca 0.34 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 61.31 2gx4 s VAL 303 Cb 0.17 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 2gx4 s VAL 303 CO 0.31 0.52 1.04 0.42 0.00 0.00 0.00 175.10 177.38 2gx4 s THR 304 N 1.07 4.09 0.06 3.92 -4.23 -1.26 -4.97 115.64 114.33 2gx4 s THR 304 Ca -0.01 0.94 -0.33 0.00 -1.18 0.00 0.00 61.69 61.11 2gx4 s THR 304 Cb -0.14 -3.51 -0.19 0.00 1.34 0.00 0.00 72.50 70.00 2gx4 s THR 304 CO -0.06 -0.63 1.59 0.15 -0.54 0.00 0.00 174.62 175.12 2gx4 h PHE 305 N 0.41 -0.91 0.00 3.99 3.04 -1.70 -3.51 116.94 118.27 2gx4 h PHE 305 Ca -0.46 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.47 2gx4 h PHE 305 Cb 1.21 0.30 0.00 0.00 2.56 0.00 0.00 35.95 40.02 2gx4 h PHE 305 CO 0.61 -0.56 0.00 1.04 -2.02 0.00 0.00 178.31 177.38