#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xg3 n HIS 4 N 0.00 3.01 -4.05 -1.77 -0.00 -1.26 -5.01 115.22 106.14 1xg3 n HIS 4 Ca 0.00 0.41 -0.32 0.00 -0.00 0.00 0.00 57.72 57.82 1xg3 n HIS 4 Cb 0.00 -2.55 -0.15 0.00 -0.00 0.00 0.00 29.99 27.29 1xg3 n HIS 4 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1xg3 s SER 5 N -0.04 4.41 0.26 0.26 0.15 -1.26 -4.99 113.70 112.49 1xg3 s SER 5 Ca 0.55 -1.44 -0.04 0.00 0.70 0.00 0.00 55.95 55.71 1xg3 s SER 5 Cb -0.47 -1.51 0.37 0.00 -1.71 0.00 0.00 66.02 62.69 1xg3 s SER 5 CO 0.62 -0.21 1.88 -0.65 1.20 0.00 0.00 173.24 176.07 1xg3 h PRO 6 N 7.78 1.09 -0.80 5.44 0.11 -1.89 -1.11 132.00 142.61 1xg3 h PRO 6 Ca -0.18 -0.07 0.04 0.00 0.11 0.00 0.00 66.00 65.90 1xg3 h PRO 6 Cb 1.04 -0.25 -0.05 0.00 0.11 0.00 0.00 31.00 31.86 1xg3 h PRO 6 CO 0.46 0.72 0.52 0.78 -0.21 0.00 0.00 178.00 180.27 1xg3 h GLY 7 N 1.12 1.12 1.17 -0.55 0.00 -1.74 0.72 103.07 104.91 1xg3 h GLY 7 Ca 0.41 -0.38 -0.12 0.00 0.00 0.00 0.00 47.33 47.23 1xg3 h GLY 7 CO -0.16 0.33 -0.16 1.70 0.00 0.00 0.00 176.54 178.24 1xg3 h LYS 8 N 0.97 0.96 -0.28 4.80 3.64 -1.34 -2.01 116.57 123.31 1xg3 h LYS 8 Ca 0.32 -0.38 -0.10 0.00 -1.27 0.00 0.00 60.65 59.22 1xg3 h LYS 8 Cb 0.05 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1xg3 h LYS 8 CO -0.09 1.04 -0.24 0.00 -2.27 0.00 0.00 179.45 177.89 1xg3 h ALA 9 N 0.96 1.07 -0.10 5.00 0.00 -0.42 -1.76 119.26 124.02 1xg3 h ALA 9 Ca 0.12 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1xg3 h ALA 9 Cb 0.72 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1xg3 h ALA 9 CO 0.06 0.57 0.03 0.35 0.00 0.00 0.00 179.25 180.25 1xg3 h PHE 10 N 0.47 0.16 -0.34 0.00 3.57 -0.63 -0.79 116.94 119.38 1xg3 h PHE 10 Ca 0.07 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 1xg3 h PHE 10 Cb 0.66 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 1xg3 h PHE 10 CO 0.02 0.29 0.08 0.00 -2.23 0.00 0.00 178.31 176.48 1xg3 h ARG 11 N -0.03 0.50 -0.43 1.11 3.08 -1.24 -2.00 114.38 115.38 1xg3 h ARG 11 Ca 0.03 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 59.87 1xg3 h ARG 11 Cb 0.21 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1xg3 h ARG 11 CO -0.00 0.46 -0.26 0.00 -1.07 0.00 0.00 179.97 179.10 1xg3 h ALA 12 N 1.61 0.73 -0.70 0.04 0.00 -1.06 -2.91 119.26 116.96 1xg3 h ALA 12 Ca 0.12 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1xg3 h ALA 12 Cb 0.19 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1xg3 h ALA 12 CO -0.00 0.66 0.29 0.00 0.00 0.00 0.00 179.25 180.20 1xg3 h ALA 13 N 0.92 1.19 -0.35 0.00 0.00 -0.45 -1.64 119.26 118.94 1xg3 h ALA 13 Ca 0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xg3 h ALA 13 Cb 0.82 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1xg3 h ALA 13 CO 0.07 0.59 0.21 -0.07 0.00 0.00 0.00 179.25 180.05 1xg3 h LEU 14 N 1.01 0.42 -0.85 0.00 3.38 -1.23 -1.73 115.31 116.30 1xg3 h LEU 14 Ca 0.24 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.09 1xg3 h LEU 14 Cb 0.17 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1xg3 h LEU 14 CO -0.02 0.33 -0.47 0.74 0.09 0.00 0.00 178.44 179.10 1xg3 h THR 15 N 0.48 1.10 0.00 0.22 2.02 -1.12 -3.27 112.91 112.34 1xg3 h THR 15 Ca 0.13 -1.76 -0.06 0.00 0.77 0.00 0.00 66.41 65.49 1xg3 h THR 15 Cb -0.01 2.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1xg3 h THR 15 CO -0.02 0.46 -1.40 0.29 0.37 0.00 0.00 175.52 175.22 1xg3 n LYS 16 N -3.63 0.63 -4.03 6.66 4.76 -0.75 -4.90 118.16 116.88 1xg3 n LYS 16 Ca -0.01 0.07 -0.20 0.00 -2.87 0.00 0.00 58.31 55.30 1xg3 n LYS 16 Cb 0.55 -1.74 -0.17 0.00 -1.84 0.00 0.00 35.03 31.84 1xg3 n LYS 16 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1xg3 s GLU 17 N -3.25 0.71 -0.17 1.97 2.12 -0.73 -5.10 118.70 114.25 1xg3 s GLU 17 Ca -0.03 -0.03 -0.04 0.00 0.36 0.00 0.00 54.97 55.22 1xg3 s GLU 17 Cb 0.10 -0.83 0.08 0.00 0.26 0.00 0.00 34.13 33.75 1xg3 s GLU 17 CO 0.82 -0.14 0.23 1.21 -0.54 0.00 0.00 175.26 176.84 1xg3 s ASN 18 N 1.18 1.01 0.46 -1.70 3.84 -1.26 -2.54 114.94 115.93 1xg3 s ASN 18 Ca -0.07 0.05 -0.22 0.00 0.21 0.00 0.00 52.86 52.83 1xg3 s ASN 18 Cb -0.14 0.48 -0.08 0.00 -0.55 0.00 0.00 41.25 40.96 1xg3 s ASN 18 CO -0.01 -0.30 1.08 -2.16 -2.79 0.00 0.00 177.10 172.92 1xg3 s PRO 19 N 2.35 3.84 -0.21 0.43 0.04 -1.26 -4.93 135.00 135.27 1xg3 s PRO 19 Ca 0.05 1.52 -0.29 0.00 0.04 0.00 0.00 61.00 62.32 1xg3 s PRO 19 Cb -0.14 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.13 1xg3 s PRO 19 CO -0.11 -0.43 1.08 -1.17 0.04 0.00 0.00 177.00 176.42 1xg3 s LEU 20 N -3.19 4.13 -0.09 -3.56 0.20 0.13 -4.79 118.68 111.51 1xg3 s LEU 20 Ca 0.65 1.46 -0.29 0.00 0.69 0.00 0.00 54.13 56.63 1xg3 s LEU 20 Cb -0.21 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 41.99 1xg3 s LEU 20 CO 0.26 -0.67 0.97 -1.10 -0.29 0.00 0.00 176.35 175.52 1xg3 s GLN 21 N 3.16 4.44 -0.16 1.98 -0.21 -1.26 -1.12 119.66 126.48 1xg3 s GLN 21 Ca 0.47 1.34 0.01 0.00 0.02 0.00 0.00 55.36 57.19 1xg3 s GLN 21 Cb -0.17 -3.53 0.02 0.00 1.00 0.00 0.00 33.01 30.34 1xg3 s GLN 21 CO 0.09 -0.25 -0.15 0.42 -2.12 0.00 0.00 175.29 173.28 1xg3 s ILE 22 N 1.80 1.66 -0.07 1.08 1.01 -0.36 -4.37 121.20 121.95 1xg3 s ILE 22 Ca 0.48 -0.72 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 1xg3 s ILE 22 Cb -0.19 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 1xg3 s ILE 22 CO 0.19 0.44 -0.00 0.68 0.00 0.00 0.00 174.94 176.25 1xg3 s VAL 23 N 1.45 4.25 0.37 2.92 -7.23 -1.24 -1.50 120.40 119.41 1xg3 s VAL 23 Ca 0.04 -0.33 -0.27 0.00 -1.81 0.00 0.00 61.98 59.62 1xg3 s VAL 23 Cb -0.13 -2.81 -0.09 0.00 0.56 0.00 0.00 36.38 33.91 1xg3 s VAL 23 CO -0.11 0.56 1.20 -0.83 -0.31 0.00 0.00 175.10 175.61 1xg3 s GLY 24 N -1.02 2.94 -0.22 2.32 0.00 -0.23 -1.07 107.32 110.04 1xg3 s GLY 24 Ca 0.15 1.05 0.01 0.00 0.00 0.00 0.00 44.72 45.92 1xg3 s GLY 24 CO 0.04 1.62 -0.07 -0.51 0.00 0.00 0.00 173.10 174.18 1xg3 s THR 25 N -1.29 1.52 0.31 0.90 -4.23 -0.26 -4.74 115.64 107.85 1xg3 s THR 25 Ca 0.53 -1.11 0.20 0.00 -1.18 0.00 0.00 61.69 60.13 1xg3 s THR 25 Cb -0.34 -1.73 0.18 0.00 1.34 0.00 0.00 72.50 71.96 1xg3 s THR 25 CO 0.43 -0.01 1.89 -0.29 -0.54 0.00 0.00 174.62 176.10 1xg3 h ILE 26 N 6.57 0.87 -3.56 2.99 6.09 -1.91 -3.44 117.51 125.12 1xg3 h ILE 26 Ca -0.21 -1.07 -0.12 0.00 -1.37 0.00 0.00 64.86 62.09 1xg3 h ILE 26 Cb 1.08 1.64 -0.05 0.00 0.47 0.00 0.00 36.82 39.96 1xg3 h ILE 26 CO 0.43 0.27 0.02 0.54 -3.07 0.00 0.00 178.15 176.34 1xg3 s ASN 27 N -6.48 0.35 0.22 2.19 6.03 -1.26 -4.90 114.94 111.09 1xg3 s ASN 27 Ca -0.02 -1.22 -0.08 0.00 -1.03 0.00 0.00 52.86 50.52 1xg3 s ASN 27 Cb 0.13 0.73 0.28 0.00 -3.03 0.00 0.00 41.25 39.36 1xg3 s ASN 27 CO 0.66 -1.42 1.80 0.00 -2.03 0.00 0.00 177.10 176.11 1xg3 h ALA 28 N 2.08 0.96 -0.28 3.54 0.00 -1.89 -1.98 119.26 121.69 1xg3 h ALA 28 Ca -0.29 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.69 1xg3 h ALA 28 Cb 1.25 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1xg3 h ALA 28 CO 0.38 0.05 0.02 -0.97 0.00 0.00 0.00 179.25 178.72 1xg3 h ASN 29 N 0.70 -0.08 0.44 0.00 -0.73 -1.97 -1.75 115.58 112.19 1xg3 h ASN 29 Ca 0.32 0.06 -0.04 0.00 1.87 0.00 0.00 56.30 58.51 1xg3 h ASN 29 Cb 0.24 0.10 -0.01 0.00 0.27 0.00 0.00 38.32 38.92 1xg3 h ASN 29 CO -0.21 -0.01 -0.21 0.45 -0.37 0.00 0.00 177.43 177.09 1xg3 h HIS 30 N 0.10 0.00 -0.38 0.67 3.86 -1.83 -1.47 115.15 116.10 1xg3 h HIS 30 Ca 0.13 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.22 1xg3 h HIS 30 Cb 0.17 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 1xg3 h HIS 30 CO -0.20 0.21 -0.25 0.00 0.86 0.00 0.00 177.93 178.55 1xg3 h ALA 31 N 1.79 0.85 -0.28 2.45 0.00 -0.61 -0.41 119.26 123.06 1xg3 h ALA 31 Ca -0.00 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.37 1xg3 h ALA 31 Cb 0.48 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1xg3 h ALA 31 CO 0.03 0.64 -0.44 -0.07 0.00 0.00 0.00 179.25 179.40 1xg3 h LEU 32 N 0.67 0.76 -0.61 0.00 3.38 -0.59 -1.50 115.31 117.42 1xg3 h LEU 32 Ca 0.09 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 1xg3 h LEU 32 Cb 0.77 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1xg3 h LEU 32 CO 0.06 1.09 0.10 -0.07 0.09 0.00 0.00 178.44 179.71 1xg3 h LEU 33 N 0.57 0.98 -0.69 1.67 3.38 -1.08 -1.08 115.31 119.06 1xg3 h LEU 33 Ca 0.04 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1xg3 h LEU 33 Cb 0.99 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1xg3 h LEU 33 CO 0.09 0.99 0.26 0.00 0.09 0.00 0.00 178.44 179.87 1xg3 h ALA 34 N 1.02 0.90 -0.56 1.53 0.00 -0.91 -0.78 119.26 120.47 1xg3 h ALA 34 Ca 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1xg3 h ALA 34 Cb 0.43 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1xg3 h ALA 34 CO 0.01 0.54 0.28 0.37 0.00 0.00 0.00 179.25 180.45 1xg3 h GLN 35 N 0.99 0.79 0.00 0.00 4.15 -0.94 -1.75 115.11 118.35 1xg3 h GLN 35 Ca 0.23 -0.11 -0.04 0.00 0.77 0.00 0.00 58.65 59.50 1xg3 h GLN 35 Cb 0.24 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 1xg3 h GLN 35 CO -0.01 0.63 -0.17 0.00 -1.93 0.00 0.00 178.83 177.35 1xg3 h ARG 36 N 0.75 0.00 0.00 1.69 3.08 -0.85 -1.70 114.38 117.35 1xg3 h ARG 36 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1xg3 h ARG 36 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1xg3 h ARG 36 CO -0.03 0.17 0.00 0.00 -1.07 0.00 0.00 179.97 179.04 1xg3 n ALA 37 N -2.34 2.09 0.00 0.04 0.00 -0.33 -4.91 120.51 115.07 1xg3 n ALA 37 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1xg3 n ALA 37 Cb 0.27 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1xg3 n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xg3 n GLY 38 N 0.96 0.60 3.76 0.00 0.00 -0.64 -5.08 105.19 104.80 1xg3 n GLY 38 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1xg3 n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xg3 s TYR 39 N -2.00 2.47 -1.22 1.61 2.02 -1.08 -4.94 117.35 114.21 1xg3 s TYR 39 Ca 0.00 1.31 0.21 0.00 -0.37 0.00 0.00 57.07 58.22 1xg3 s TYR 39 Cb 0.00 -3.86 -0.18 0.00 -0.40 0.00 0.00 41.96 37.52 1xg3 s TYR 39 CO 0.00 -2.80 0.94 1.04 -1.57 0.00 0.00 175.55 173.16 1xg3 n GLN 40 N -0.34 0.25 -3.64 -0.62 1.13 -1.26 -4.68 117.38 108.21 1xg3 n GLN 40 Ca 0.06 -0.21 -0.16 0.00 -1.94 0.00 0.00 57.00 54.76 1xg3 n GLN 40 Cb 0.43 -1.50 -0.07 0.00 0.11 0.00 0.00 30.24 29.21 1xg3 n GLN 40 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1xg3 s ALA 41 N -2.89 -1.27 0.34 -1.58 0.00 -1.26 -4.39 121.76 110.70 1xg3 s ALA 41 Ca 0.10 0.83 0.03 0.00 0.00 0.00 0.00 51.96 52.92 1xg3 s ALA 41 Cb 0.16 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.26 1xg3 s ALA 41 CO 0.81 -0.31 0.09 0.96 0.00 0.00 0.00 175.76 177.30 1xg3 s ILE 42 N -1.23 0.89 0.01 0.00 -4.36 -0.74 -3.66 121.20 112.11 1xg3 s ILE 42 Ca -0.12 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.28 1xg3 s ILE 42 Cb -0.03 -2.63 -0.01 0.00 1.25 0.00 0.00 42.46 41.05 1xg3 s ILE 42 CO 0.07 0.00 -0.05 -0.47 0.24 0.00 0.00 174.94 174.73 1xg3 s TYR 43 N -3.36 0.40 -0.43 1.37 5.04 -0.23 -1.03 117.35 119.11 1xg3 s TYR 43 Ca 0.33 -0.20 -0.06 0.00 -2.44 0.00 0.00 57.07 54.70 1xg3 s TYR 43 Cb 0.07 -0.25 0.11 0.00 0.35 0.00 0.00 41.96 42.23 1xg3 s TYR 43 CO 0.15 -0.04 0.26 -1.17 -1.34 0.00 0.00 175.55 173.41 1xg3 s LEU 44 N -0.53 5.37 0.14 6.97 2.96 -0.14 -1.10 118.68 132.34 1xg3 s LEU 44 Ca -0.03 -1.87 -0.31 0.00 -0.22 0.00 0.00 54.13 51.71 1xg3 s LEU 44 Cb -0.04 -1.92 -0.08 0.00 0.50 0.00 0.00 46.19 44.64 1xg3 s LEU 44 CO -0.00 -0.59 1.36 -0.55 -1.32 0.00 0.00 176.35 175.24 1xg3 s SER 45 N 2.20 6.85 0.18 3.68 0.15 -1.26 -1.90 113.70 123.60 1xg3 s SER 45 Ca 0.06 2.35 -0.04 0.00 0.70 0.00 0.00 55.95 59.02 1xg3 s SER 45 Cb -0.24 -2.59 0.08 0.00 -1.71 0.00 0.00 66.02 61.56 1xg3 s SER 45 CO -0.02 -0.61 1.48 1.23 1.20 0.00 0.00 173.24 176.52 1xg3 h GLY 46 N 6.30 0.61 2.00 9.45 0.00 -1.97 -0.92 103.07 118.54 1xg3 h GLY 46 Ca -0.43 -0.74 -0.04 0.00 0.00 0.00 0.00 47.33 46.11 1xg3 h GLY 46 CO 0.83 0.66 -0.21 -1.33 0.00 0.00 0.00 176.54 176.49 1xg3 h GLY 47 N 1.05 0.00 1.46 4.60 0.00 -1.95 -1.79 103.07 106.44 1xg3 h GLY 47 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 1xg3 h GLY 47 CO 0.11 0.00 -1.32 -1.33 0.00 0.00 0.00 176.54 174.00 1xg3 h GLY 48 N 0.88 0.47 0.98 4.60 0.00 -1.82 -1.19 103.07 107.00 1xg3 h GLY 48 Ca -0.00 -1.16 -0.01 0.00 0.00 0.00 0.00 47.33 46.16 1xg3 h GLY 48 CO 0.03 1.01 0.28 -2.08 0.00 0.00 0.00 176.54 175.78 1xg3 h VAL 49 N 0.13 1.17 0.39 4.60 2.07 -0.89 0.46 116.25 124.18 1xg3 h VAL 49 Ca -0.18 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1xg3 h VAL 49 Cb 2.02 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1xg3 h VAL 49 CO 0.23 0.18 -0.19 0.00 0.02 0.00 0.00 177.57 177.82 1xg3 h ALA 50 N 1.12 -0.89 -0.16 1.67 0.00 -1.39 -1.23 119.26 118.38 1xg3 h ALA 50 Ca 0.18 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1xg3 h ALA 50 Cb 0.04 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1xg3 h ALA 50 CO -0.03 -0.85 -0.41 0.00 0.00 0.00 0.00 179.25 177.96 1xg3 h ALA 51 N -1.63 1.00 0.00 0.00 0.00 -0.22 0.15 119.26 118.57 1xg3 h ALA 51 Ca -0.05 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1xg3 h ALA 51 Cb 0.40 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1xg3 h ALA 51 CO 0.09 0.62 -0.50 0.41 0.00 0.00 0.00 179.25 179.86 1xg3 n GLY 52 N -0.11 -0.91 0.22 0.00 0.00 0.16 -2.97 105.19 101.58 1xg3 n GLY 52 Ca -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 1xg3 n GLY 52 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1xg3 h SER 53 N -0.93 0.42 0.00 1.61 0.02 -1.07 -3.33 113.55 110.28 1xg3 h SER 53 Ca 0.00 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1xg3 h SER 53 Cb 0.50 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1xg3 h SER 53 CO 0.00 0.72 -1.35 0.18 -1.14 0.00 0.00 176.83 175.24 1xg3 n LEU 54 N -4.09 0.12 -1.03 5.07 4.77 -0.51 -5.00 117.00 116.33 1xg3 n LEU 54 Ca -0.01 -0.10 -0.10 0.00 -0.03 0.00 0.00 56.01 55.77 1xg3 n LEU 54 Cb 0.44 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.52 1xg3 n LEU 54 CO 0.42 0.03 -0.12 0.61 -1.33 0.00 0.00 177.39 177.00 1xg3 n GLY 55 N 1.69 0.17 3.45 -0.72 0.00 0.17 -4.97 105.19 104.98 1xg3 n GLY 55 Ca -0.01 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 1xg3 n GLY 55 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xg3 s LEU 56 N -2.65 2.56 0.57 0.99 1.43 0.30 -4.91 118.68 116.98 1xg3 s LEU 56 Ca 0.00 -1.15 -0.20 0.00 -1.03 0.00 0.00 54.13 51.75 1xg3 s LEU 56 Cb 0.00 -0.77 -0.04 0.00 0.03 0.00 0.00 46.19 45.40 1xg3 s LEU 56 CO 0.00 -0.24 1.22 -2.84 0.23 0.00 0.00 176.35 174.72 1xg3 s PRO 57 N -3.67 3.08 -1.42 1.29 0.02 -1.26 -1.61 135.00 131.43 1xg3 s PRO 57 Ca 0.29 1.88 -0.13 0.00 0.02 0.00 0.00 61.00 63.06 1xg3 s PRO 57 Cb 0.02 -2.03 0.06 0.00 0.02 0.00 0.00 34.50 32.58 1xg3 s PRO 57 CO 0.13 -1.14 2.15 -3.47 -0.33 0.00 0.00 177.00 174.34 1xg3 n ASP 58 N -1.39 4.12 -2.04 2.53 2.03 -1.26 -4.55 116.55 115.99 1xg3 n ASP 58 Ca 0.13 -2.89 -0.07 0.00 0.52 0.00 0.00 54.79 52.48 1xg3 n ASP 58 Cb 0.49 -1.63 0.06 0.00 -0.72 0.00 0.00 41.12 39.31 1xg3 n ASP 58 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1xg3 n LEU 59 N 5.82 2.76 -1.16 -2.67 4.77 -1.26 -4.05 117.00 121.22 1xg3 n LEU 59 Ca 0.50 -3.56 -0.10 0.00 -0.03 0.00 0.00 56.01 52.81 1xg3 n LEU 59 Cb 0.39 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.46 1xg3 n LEU 59 CO 0.88 1.36 -0.13 0.61 -1.33 0.00 0.00 177.39 178.78 1xg3 n GLY 60 N -0.54 0.06 0.12 -0.72 0.00 -1.25 -4.30 105.19 98.56 1xg3 n GLY 60 Ca 0.21 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 1xg3 n GLY 60 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xg3 n ILE 61 N -3.88 1.68 -1.07 -0.61 5.41 -1.26 -4.91 119.36 114.72 1xg3 n ILE 61 Ca -0.12 -0.71 -0.33 0.00 1.00 0.00 0.00 62.75 62.59 1xg3 n ILE 61 Cb 0.57 -1.40 0.13 0.00 -0.71 0.00 0.00 39.64 38.23 1xg3 n ILE 61 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1xg3 s SER 62 N -6.58 3.54 0.36 4.38 1.04 -1.26 -5.04 113.70 110.14 1xg3 s SER 62 Ca -0.17 2.31 0.08 0.00 0.48 0.00 0.00 55.95 58.65 1xg3 s SER 62 Cb 0.07 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.57 1xg3 s SER 62 CO 0.78 -2.70 0.21 0.42 0.98 0.00 0.00 173.24 172.93 1xg3 s THR 63 N -2.26 3.02 0.26 2.02 -4.23 -1.26 -5.00 115.64 108.19 1xg3 s THR 63 Ca 0.72 -1.58 -0.02 0.00 -1.18 0.00 0.00 61.69 59.62 1xg3 s THR 63 Cb -0.27 -3.03 0.24 0.00 1.34 0.00 0.00 72.50 70.78 1xg3 s THR 63 CO 0.52 -0.14 1.81 0.25 -0.54 0.00 0.00 174.62 176.52 1xg3 h LEU 64 N 1.41 0.73 -1.20 4.79 5.85 -1.96 -1.81 115.31 123.12 1xg3 h LEU 64 Ca -0.44 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.26 1xg3 h LEU 64 Cb 1.25 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1xg3 h LEU 64 CO 0.62 0.40 -0.28 0.44 -0.34 0.00 0.00 178.44 179.29 1xg3 h ASP 65 N 0.83 0.19 -0.80 1.25 5.19 -1.98 0.12 116.42 121.22 1xg3 h ASP 65 Ca 0.43 -0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.78 1xg3 h ASP 65 Cb 0.42 -0.05 -0.04 0.00 0.18 0.00 0.00 39.33 39.84 1xg3 h ASP 65 CO -0.26 0.48 0.48 0.44 -3.12 0.00 0.00 179.24 177.25 1xg3 h ASP 66 N 0.18 0.97 -0.20 6.45 3.32 -1.72 -0.73 116.42 124.69 1xg3 h ASP 66 Ca 0.03 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 56.88 1xg3 h ASP 66 Cb 0.59 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1xg3 h ASP 66 CO 0.04 0.76 -0.35 0.58 -1.72 0.00 0.00 179.24 178.55 1xg3 h VAL 67 N 1.10 1.33 -0.94 -1.35 2.07 -1.17 -3.07 116.25 114.22 1xg3 h VAL 67 Ca 0.29 -1.58 0.05 0.00 0.82 0.00 0.00 66.70 66.28 1xg3 h VAL 67 Cb -0.03 1.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.54 1xg3 h VAL 67 CO -0.05 0.49 0.60 -0.07 0.02 0.00 0.00 177.57 178.56 1xg3 h LEU 68 N 0.26 0.98 -0.49 2.57 3.38 -0.54 -0.36 115.31 121.12 1xg3 h LEU 68 Ca 0.01 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.02 1xg3 h LEU 68 Cb 0.95 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1xg3 h LEU 68 CO 0.08 0.65 0.27 0.74 0.09 0.00 0.00 178.44 180.27 1xg3 h THR 69 N 1.13 0.99 -0.04 0.22 2.02 -1.12 -1.17 112.91 114.94 1xg3 h THR 69 Ca 0.39 -0.18 -0.12 0.00 0.77 0.00 0.00 66.41 67.28 1xg3 h THR 69 Cb 0.09 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1xg3 h THR 69 CO -0.15 0.10 -0.51 0.44 0.37 0.00 0.00 175.52 175.77 1xg3 h ASP 70 N 0.52 0.12 -0.15 4.18 3.32 -1.27 -2.16 116.42 120.99 1xg3 h ASP 70 Ca 0.21 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1xg3 h ASP 70 Cb 0.09 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1xg3 h ASP 70 CO -0.13 0.61 0.05 0.40 -1.72 0.00 0.00 179.24 178.45 1xg3 h ILE 71 N 0.09 1.17 -0.48 0.35 2.04 -0.51 -1.82 117.51 118.35 1xg3 h ILE 71 Ca 0.00 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 1xg3 h ILE 71 Cb 0.93 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 1xg3 h ILE 71 CO 0.07 0.16 0.22 0.03 0.00 0.00 0.00 178.15 178.63 1xg3 h ARG 72 N 0.07 0.70 -0.37 2.37 3.08 -1.15 0.30 114.38 119.37 1xg3 h ARG 72 Ca 0.05 -0.11 0.03 0.00 0.07 0.00 0.00 59.98 60.02 1xg3 h ARG 72 Cb 0.20 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1xg3 h ARG 72 CO -0.00 0.59 0.18 0.00 -1.07 0.00 0.00 179.97 179.67 1xg3 h ARG 73 N 0.63 0.36 0.29 0.04 3.08 -1.31 -0.21 114.38 117.27 1xg3 h ARG 73 Ca 0.16 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1xg3 h ARG 73 Cb 0.13 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1xg3 h ARG 73 CO -0.02 0.24 -0.14 0.82 -1.07 0.00 0.00 179.97 179.80 1xg3 h ILE 74 N 0.37 0.68 0.00 2.04 2.04 -1.11 -3.27 117.51 118.26 1xg3 h ILE 74 Ca 0.16 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1xg3 h ILE 74 Cb 0.07 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1xg3 h ILE 74 CO -0.11 0.13 0.00 0.71 0.00 0.00 0.00 178.15 178.88 1xg3 h THR 75 N -0.82 0.00 -0.17 -0.27 1.35 -0.93 -0.55 112.91 111.52 1xg3 h THR 75 Ca -0.04 -0.27 -0.11 0.00 -0.55 0.00 0.00 66.41 65.44 1xg3 h THR 75 Cb 0.51 1.04 -0.01 0.00 -1.73 0.00 0.00 68.15 67.96 1xg3 h THR 75 CO 0.07 0.00 -0.39 0.44 -0.25 0.00 0.00 175.52 175.38 1xg3 h ASP 76 N 0.00 0.40 0.00 5.36 3.32 -1.08 -3.34 116.42 121.08 1xg3 h ASP 76 Ca 0.00 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1xg3 h ASP 76 Cb 0.38 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1xg3 h ASP 76 CO 0.00 0.75 -1.44 0.55 -1.72 0.00 0.00 179.24 177.39 1xg3 n VAL 77 N -4.04 0.00 -4.36 -1.35 3.14 -1.03 -4.98 118.33 105.72 1xg3 n VAL 77 Ca -0.01 -0.22 -0.34 0.00 -2.96 0.00 0.00 64.34 60.81 1xg3 n VAL 77 Cb 0.48 0.28 -0.14 0.00 -1.06 0.00 0.00 33.84 33.41 1xg3 n VAL 77 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xg3 n SER 79 N 3.98 0.00 -4.77 0.00 3.41 -1.26 -4.46 113.62 110.52 1xg3 n SER 79 Ca -0.18 0.41 -0.39 0.00 -0.26 0.00 0.00 58.87 58.45 1xg3 n SER 79 Cb 0.52 -0.47 -0.01 0.00 -0.26 0.00 0.00 64.21 63.99 1xg3 n SER 79 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1xg3 s LEU 80 N -2.94 4.20 0.20 1.04 1.43 -1.26 -4.96 118.68 116.40 1xg3 s LEU 80 Ca 0.16 2.45 -0.31 0.00 -1.03 0.00 0.00 54.13 55.40 1xg3 s LEU 80 Cb 0.19 -3.98 -0.10 0.00 0.03 0.00 0.00 46.19 42.33 1xg3 s LEU 80 CO 0.51 -0.73 1.56 -2.16 0.23 0.00 0.00 176.35 175.76 1xg3 s PRO 81 N -2.26 4.20 -0.24 1.29 0.04 -1.26 -4.80 135.00 131.97 1xg3 s PRO 81 Ca 0.57 2.40 -0.06 0.00 0.04 0.00 0.00 61.00 63.96 1xg3 s PRO 81 Cb -0.33 -3.12 -0.01 0.00 0.04 0.00 0.00 34.50 31.08 1xg3 s PRO 81 CO 0.42 -0.59 0.02 -1.17 0.04 0.00 0.00 177.00 175.73 1xg3 s LEU 82 N 0.60 3.26 -0.03 -3.56 2.96 -1.26 -1.80 118.68 118.85 1xg3 s LEU 82 Ca 0.67 -0.36 -0.24 0.00 -0.22 0.00 0.00 54.13 53.99 1xg3 s LEU 82 Cb -0.45 -1.84 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 1xg3 s LEU 82 CO 0.36 -0.05 0.71 -0.22 -1.32 0.00 0.00 176.35 175.83 1xg3 s LEU 83 N 1.54 4.36 -0.05 -0.68 0.20 -0.19 -1.14 118.68 122.72 1xg3 s LEU 83 Ca 0.06 1.26 0.06 0.00 0.69 0.00 0.00 54.13 56.20 1xg3 s LEU 83 Cb -0.15 -3.12 -0.02 0.00 -0.43 0.00 0.00 46.19 42.48 1xg3 s LEU 83 CO 0.00 -0.06 -0.23 -0.69 -0.29 0.00 0.00 176.35 175.08 1xg3 s VAL 84 N 0.49 2.30 -0.37 1.68 1.01 0.13 -0.96 120.40 124.69 1xg3 s VAL 84 Ca 0.38 -0.99 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 1xg3 s VAL 84 Cb -0.19 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.37 1xg3 s VAL 84 CO 0.19 0.58 1.17 -0.62 0.00 0.00 0.00 175.10 176.42 1xg3 s ASP 85 N -0.40 6.75 -0.17 3.32 -1.08 -0.80 -1.49 116.67 122.80 1xg3 s ASP 85 Ca 0.04 0.91 0.16 0.00 -0.52 0.00 0.00 52.55 53.13 1xg3 s ASP 85 Cb -0.12 -2.54 0.57 0.00 -1.46 0.00 0.00 42.92 39.37 1xg3 s ASP 85 CO 0.02 -1.07 1.48 0.00 0.52 0.00 0.00 175.17 176.11 1xg3 n ALA 86 N 7.45 3.09 -0.29 3.66 0.00 -0.61 -4.59 120.51 129.22 1xg3 n ALA 86 Ca 0.13 -2.12 0.00 0.00 0.00 0.00 0.00 53.44 51.44 1xg3 n ALA 86 Cb 0.48 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.15 1xg3 n ALA 86 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xg3 n ASP 87 N -0.17 0.00 -0.81 0.00 8.00 -1.25 -0.77 116.55 121.56 1xg3 n ASP 87 Ca 0.22 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.79 1xg3 n ASP 87 Cb 0.91 0.00 0.19 0.00 -0.02 0.00 0.00 41.12 42.20 1xg3 n ASP 87 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1xg3 n ILE 88 N 0.00 0.93 0.00 0.53 -5.35 -1.26 -0.92 119.36 113.29 1xg3 n ILE 88 Ca 0.00 -0.97 0.00 0.00 -0.27 0.00 0.00 62.75 61.51 1xg3 n ILE 88 Cb 0.00 0.55 0.00 0.00 -1.74 0.00 0.00 39.64 38.45 1xg3 n ILE 88 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xg3 n GLY 89 N 0.81 0.68 3.31 3.28 0.00 0.05 -4.77 105.19 108.55 1xg3 n GLY 89 Ca 0.14 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 1xg3 n GLY 89 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xg3 n PHE 90 N -1.22 -2.41 0.00 1.61 3.72 -1.26 -3.66 117.46 114.24 1xg3 n PHE 90 Ca 0.00 0.81 0.00 0.00 -0.05 0.00 0.00 57.45 58.21 1xg3 n PHE 90 Cb 0.00 -4.02 0.00 0.00 -0.94 0.00 0.00 39.48 34.52 1xg3 n PHE 90 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xg3 n GLY 91 N -1.32 2.98 0.01 1.37 0.00 -1.26 -4.80 105.19 102.17 1xg3 n GLY 91 Ca -0.07 -1.18 0.12 0.00 0.00 0.00 0.00 46.02 44.89 1xg3 n GLY 91 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xg3 n SER 92 N 0.00 0.46 -4.59 1.61 3.41 -1.26 -4.85 113.62 108.41 1xg3 n SER 92 Ca 0.00 -0.19 -0.27 0.00 -0.26 0.00 0.00 58.87 58.15 1xg3 n SER 92 Cb 0.00 0.16 -0.11 0.00 -0.26 0.00 0.00 64.21 64.00 1xg3 n SER 92 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1xg3 s SER 93 N -2.98 3.62 0.58 4.04 1.04 -1.26 -5.01 113.70 113.73 1xg3 s SER 93 Ca 0.12 -1.36 0.31 0.00 0.48 0.00 0.00 55.95 55.50 1xg3 s SER 93 Cb 0.18 -0.34 1.80 0.00 0.10 0.00 0.00 66.02 67.75 1xg3 s SER 93 CO 0.67 -0.46 2.23 0.00 0.98 0.00 0.00 173.24 176.66 1xg3 h ALA 94 N 1.84 1.41 -0.26 5.32 0.00 -1.93 -1.28 119.26 124.37 1xg3 h ALA 94 Ca -0.43 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.32 1xg3 h ALA 94 Cb 1.24 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1xg3 h ALA 94 CO 0.79 0.03 -0.39 0.74 0.00 0.00 0.00 179.25 180.42 1xg3 h PHE 95 N 0.00 0.72 -0.26 0.00 0.04 -1.99 -0.70 116.94 114.76 1xg3 h PHE 95 Ca -0.00 -0.21 -0.08 0.00 2.80 0.00 0.00 57.97 60.48 1xg3 h PHE 95 Cb 0.08 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 1xg3 h PHE 95 CO 0.00 0.91 -0.17 -0.91 -0.60 0.00 0.00 178.31 177.54 1xg3 h ASN 96 N 0.50 0.59 -0.47 2.17 2.35 -1.56 -1.28 115.58 117.89 1xg3 h ASN 96 Ca 0.05 -0.43 0.03 0.00 -0.55 0.00 0.00 56.30 55.39 1xg3 h ASN 96 Cb 0.90 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 39.07 1xg3 h ASN 96 CO 0.08 0.90 0.27 0.58 -1.65 0.00 0.00 177.43 177.61 1xg3 h VAL 97 N 0.29 1.02 -0.65 2.81 2.07 -1.33 -0.25 116.25 120.22 1xg3 h VAL 97 Ca 0.05 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 1xg3 h VAL 97 Cb 0.69 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1xg3 h VAL 97 CO 0.05 0.10 0.25 0.00 0.02 0.00 0.00 177.57 177.98 1xg3 h ALA 98 N 1.22 0.85 -0.58 1.67 0.00 -1.00 -1.97 119.26 119.45 1xg3 h ALA 98 Ca 0.19 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1xg3 h ALA 98 Cb 0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1xg3 h ALA 98 CO -0.10 0.48 0.02 -0.09 0.00 0.00 0.00 179.25 179.56 1xg3 h ARG 99 N 0.93 0.99 -0.28 0.00 2.43 -0.87 -1.76 114.38 115.81 1xg3 h ARG 99 Ca 0.22 -0.29 0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1xg3 h ARG 99 Cb 0.23 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 1xg3 h ARG 99 CO -0.01 0.96 0.11 1.15 -1.51 0.00 0.00 179.97 180.66 1xg3 h THR 100 N 0.91 0.94 0.36 0.20 2.02 -0.67 0.19 112.91 116.86 1xg3 h THR 100 Ca 0.17 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 1xg3 h THR 100 Cb 0.51 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1xg3 h THR 100 CO 0.02 0.04 -0.17 0.58 0.37 0.00 0.00 175.52 176.37 1xg3 h VAL 101 N 0.24 0.65 -0.65 3.16 2.07 -1.03 -0.94 116.25 119.75 1xg3 h VAL 101 Ca 0.12 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.59 1xg3 h VAL 101 Cb 0.08 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1xg3 h VAL 101 CO -0.12 0.01 0.42 0.11 0.02 0.00 0.00 177.57 178.01 1xg3 h LYS 102 N -0.52 0.81 -0.57 1.57 1.57 -1.19 -0.95 116.57 117.30 1xg3 h LYS 102 Ca -0.05 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1xg3 h LYS 102 Cb 0.39 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1xg3 h LYS 102 CO 0.08 0.53 0.28 0.77 -0.57 0.00 0.00 179.45 180.55 1xg3 h SER 103 N 0.83 0.73 -0.03 0.86 0.02 -0.87 -0.82 113.55 114.27 1xg3 h SER 103 Ca 0.25 -0.12 -0.11 0.00 -0.84 0.00 0.00 61.79 60.97 1xg3 h SER 103 Cb -0.04 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 1xg3 h SER 103 CO -0.08 0.65 -0.31 0.24 -1.14 0.00 0.00 176.83 176.19 1xg3 h MET 104 N 0.76 0.49 -0.19 3.45 2.86 -0.88 0.65 114.93 122.08 1xg3 h MET 104 Ca 0.20 -0.21 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1xg3 h MET 104 Cb 0.10 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1xg3 h MET 104 CO -0.03 0.75 0.04 0.82 1.06 0.00 0.00 176.91 179.56 1xg3 h ILE 105 N 0.43 1.21 -0.14 -1.22 2.04 -0.88 -1.79 117.51 117.16 1xg3 h ILE 105 Ca 0.05 -0.69 -0.06 0.00 1.00 0.00 0.00 64.86 65.16 1xg3 h ILE 105 Cb 0.76 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 1xg3 h ILE 105 CO 0.06 0.21 -0.18 0.50 0.00 0.00 0.00 178.15 178.74 1xg3 h LYS 106 N 0.12 0.24 0.00 2.37 3.64 -0.86 -1.82 116.57 120.25 1xg3 h LYS 106 Ca 0.06 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xg3 h LYS 106 Cb 0.29 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1xg3 h LYS 106 CO 0.00 0.42 0.00 0.00 -2.27 0.00 0.00 179.45 177.60 1xg3 n ALA 107 N -2.49 1.80 0.00 5.00 0.00 0.20 -4.89 120.51 120.13 1xg3 n ALA 107 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1xg3 n ALA 107 Cb 0.31 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1xg3 n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xg3 n GLY 108 N 0.30 1.00 3.79 0.00 0.00 -0.68 -4.15 105.19 105.45 1xg3 n GLY 108 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1xg3 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xg3 s ALA 109 N -2.00 2.55 -0.10 4.61 0.00 -0.69 -4.73 121.76 121.39 1xg3 s ALA 109 Ca 0.00 0.42 0.21 0.00 0.00 0.00 0.00 51.96 52.59 1xg3 s ALA 109 Cb 0.00 -3.27 -0.25 0.00 0.00 0.00 0.00 23.12 19.60 1xg3 s ALA 109 CO 0.00 -1.19 0.55 0.00 0.00 0.00 0.00 175.76 175.12 1xg3 n ALA 110 N -2.51 2.50 -3.86 0.00 0.00 -0.29 -4.56 120.51 111.79 1xg3 n ALA 110 Ca 0.09 -0.59 0.02 0.00 0.00 0.00 0.00 53.44 52.97 1xg3 n ALA 110 Cb 0.53 -0.75 0.01 0.00 0.00 0.00 0.00 19.45 19.24 1xg3 n ALA 110 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1xg3 s GLY 111 N -4.66 -0.22 0.11 0.00 0.00 -1.18 -1.76 107.32 99.62 1xg3 s GLY 111 Ca -0.07 0.26 -0.14 0.00 0.00 0.00 0.00 44.72 44.77 1xg3 s GLY 111 CO 0.87 3.70 0.33 0.48 0.00 0.00 0.00 173.10 178.48 1xg3 s LEU 112 N -3.52 0.74 -0.03 0.66 0.05 -0.22 -0.69 118.68 115.66 1xg3 s LEU 112 Ca 0.24 -0.42 0.07 0.00 0.05 0.00 0.00 54.13 54.08 1xg3 s LEU 112 Cb 0.01 1.57 -0.02 0.00 -2.05 0.00 0.00 46.19 45.71 1xg3 s LEU 112 CO -0.02 -0.81 -0.25 -1.38 -0.55 0.00 0.00 176.35 173.35 1xg3 s HIS 113 N -3.78 2.30 0.01 3.48 -3.43 -0.56 -0.76 115.29 112.56 1xg3 s HIS 113 Ca 0.03 -0.53 0.09 0.00 -0.80 0.00 0.00 55.06 53.84 1xg3 s HIS 113 Cb 0.03 -1.49 -0.02 0.00 -1.43 0.00 0.00 32.58 29.66 1xg3 s HIS 113 CO -0.11 -0.11 -0.26 -1.50 -2.00 0.00 0.00 174.74 170.76 1xg3 s ILE 114 N -0.42 2.07 0.36 -5.38 2.07 -0.54 -1.57 121.20 117.80 1xg3 s ILE 114 Ca 0.05 -1.23 0.08 0.00 -1.41 0.00 0.00 60.65 58.13 1xg3 s ILE 114 Cb -0.11 -1.74 -0.05 0.00 0.13 0.00 0.00 42.46 40.68 1xg3 s ILE 114 CO 0.01 0.47 0.11 -1.83 -1.91 0.00 0.00 174.94 171.80 1xg3 s GLU 115 N -0.90 2.24 -0.19 3.50 -1.05 -0.10 -0.74 118.70 121.46 1xg3 s GLU 115 Ca 0.11 -1.70 0.09 0.00 -0.15 0.00 0.00 54.97 53.32 1xg3 s GLU 115 Cb -0.10 -2.04 0.58 0.00 -0.44 0.00 0.00 34.13 32.14 1xg3 s GLU 115 CO 0.00 0.05 1.43 -0.40 0.95 0.00 0.00 175.26 177.29 1xg3 n ASP 116 N -1.12 4.35 -4.91 0.83 5.68 -1.10 -4.68 116.55 115.60 1xg3 n ASP 116 Ca -0.03 -2.72 -0.27 0.00 -0.50 0.00 0.00 54.79 51.27 1xg3 n ASP 116 Cb 0.63 -0.65 0.07 0.00 -1.14 0.00 0.00 41.12 40.03 1xg3 n ASP 116 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1xg3 s GLN 117 N -2.29 2.31 0.94 0.11 -0.21 -1.26 -0.36 119.66 118.89 1xg3 s GLN 117 Ca 0.40 -0.02 -0.13 0.00 0.02 0.00 0.00 55.36 55.62 1xg3 s GLN 117 Cb 0.31 -2.10 0.15 0.00 1.00 0.00 0.00 33.01 32.37 1xg3 s GLN 117 CO 0.11 -1.25 1.16 0.08 -2.12 0.00 0.00 175.29 173.27 1xg3 s VAL 118 N -3.33 1.96 0.20 1.09 1.01 -0.51 -4.49 120.40 116.34 1xg3 s VAL 118 Ca 0.60 0.00 -0.20 0.00 0.00 0.00 0.00 61.98 62.38 1xg3 s VAL 118 Cb -0.11 -2.77 0.16 0.00 0.00 0.00 0.00 36.38 33.66 1xg3 s VAL 118 CO 0.47 0.00 1.57 1.23 0.00 0.00 0.00 175.10 178.37 1xg3 h GLY 119 N -1.58 -0.04 -6.75 4.51 0.00 -1.97 -2.93 103.07 94.30 1xg3 h GLY 119 Ca -0.49 0.46 -0.73 0.00 0.00 0.00 0.00 47.33 46.57 1xg3 h GLY 119 CO 0.57 -0.21 2.15 0.00 0.00 0.00 0.00 176.54 179.06 1xg3 n ALA 120 N -3.25 4.92 -1.16 3.60 0.00 -1.26 -4.64 120.51 118.72 1xg3 n ALA 120 Ca 0.06 -4.16 -0.29 0.00 0.00 0.00 0.00 53.44 49.06 1xg3 n ALA 120 Cb 0.37 -3.18 0.19 0.00 0.00 0.00 0.00 19.45 16.83 1xg3 n ALA 120 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1xg3 s LYS 121 N 1.62 0.18 0.24 0.00 0.00 -1.11 -4.85 119.74 115.82 1xg3 s LYS 121 Ca 0.43 0.43 0.00 0.00 0.00 0.00 0.00 55.97 56.83 1xg3 s LYS 121 Cb 0.07 -1.72 -0.04 0.00 0.00 0.00 0.00 37.83 36.15 1xg3 s LYS 121 CO -0.01 -2.88 0.19 -0.98 0.00 0.00 0.00 175.35 171.67 1xg3 s ARG 122 N -5.01 1.36 0.30 1.78 1.70 -1.26 -3.87 118.95 113.94 1xg3 s ARG 122 Ca 0.66 -1.71 -0.29 0.00 -0.47 0.00 0.00 55.73 53.92 1xg3 s ARG 122 Cb -0.18 0.30 -0.13 0.00 -0.57 0.00 0.00 34.95 34.37 1xg3 s ARG 122 CO 0.57 -0.47 1.26 0.45 -1.08 0.00 0.00 175.30 176.03 1xg3 n SER 123 N -0.60 2.41 0.04 -2.89 2.88 -1.26 -4.82 113.62 109.38 1xg3 n SER 123 Ca 0.03 1.18 0.06 0.00 -1.33 0.00 0.00 58.87 58.81 1xg3 n SER 123 Cb 0.65 -1.42 0.26 0.00 -0.75 0.00 0.00 64.21 62.94 1xg3 n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xg3 n GLY 124 N 1.28 -0.83 1.44 0.46 0.00 -1.26 -1.49 105.19 104.79 1xg3 n GLY 124 Ca 0.08 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.20 1xg3 n GLY 124 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xg3 n HIS 125 N -1.70 1.49 -4.22 1.61 8.25 -1.26 -4.63 115.22 114.76 1xg3 n HIS 125 Ca 0.01 -0.72 -0.27 0.00 -0.26 0.00 0.00 57.72 56.48 1xg3 n HIS 125 Cb 0.10 -0.35 -0.08 0.00 1.12 0.00 0.00 29.99 30.78 1xg3 n HIS 125 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1xg3 s ARG 126 N -2.41 2.31 0.87 -0.41 1.81 -0.56 -4.69 118.95 115.87 1xg3 s ARG 126 Ca 0.48 -1.13 -0.13 0.00 -1.72 0.00 0.00 55.73 53.23 1xg3 s ARG 126 Cb 0.35 -2.31 0.12 0.00 -0.45 0.00 0.00 34.95 32.65 1xg3 s ARG 126 CO 0.16 0.45 1.18 -1.25 -0.68 0.00 0.00 175.30 175.17 1xg3 s PRO 127 N -2.87 1.49 -1.47 3.54 0.04 -1.26 -4.43 135.00 130.05 1xg3 s PRO 127 Ca 0.26 0.12 -0.12 0.00 0.04 0.00 0.00 61.00 61.30 1xg3 s PRO 127 Cb -0.09 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.61 1xg3 s PRO 127 CO 0.18 -1.92 1.06 0.09 0.04 0.00 0.00 177.00 176.44 1xg3 n ASN 128 N -3.54 -5.40 -4.86 6.66 3.02 -1.26 -4.99 115.26 104.89 1xg3 n ASN 128 Ca 0.08 -0.69 -0.31 0.00 -0.03 0.00 0.00 54.58 53.63 1xg3 n ASN 128 Cb 0.60 -4.31 -0.02 0.00 -0.61 0.00 0.00 39.78 35.45 1xg3 n ASN 128 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1xg3 s LYS 129 N -6.51 3.78 -0.07 3.52 -2.85 -1.26 -5.06 119.74 111.29 1xg3 s LYS 129 Ca 0.64 0.78 0.04 0.00 -1.00 0.00 0.00 55.97 56.43 1xg3 s LYS 129 Cb -0.31 -2.16 -0.00 0.00 -2.06 0.00 0.00 37.83 33.30 1xg3 s LYS 129 CO 0.79 -0.35 -0.21 0.00 0.10 0.00 0.00 175.35 175.68 1xg3 s ALA 130 N -2.81 1.92 0.19 0.59 0.00 -1.26 -4.93 121.76 115.47 1xg3 s ALA 130 Ca 0.56 -0.87 0.11 0.00 0.00 0.00 0.00 51.96 51.77 1xg3 s ALA 130 Cb -0.10 -0.68 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 1xg3 s ALA 130 CO 0.40 0.30 -0.24 0.96 0.00 0.00 0.00 175.76 177.19 1xg3 s ILE 131 N 0.17 2.34 0.82 0.00 -4.36 -1.26 -1.42 121.20 117.49 1xg3 s ILE 131 Ca -0.11 -2.04 -0.12 0.00 -0.26 0.00 0.00 60.65 58.13 1xg3 s ILE 131 Cb -0.15 -2.12 0.10 0.00 1.25 0.00 0.00 42.46 41.53 1xg3 s ILE 131 CO 0.05 -0.12 1.19 0.68 0.24 0.00 0.00 174.94 176.98 1xg3 s VAL 132 N -1.69 2.03 0.87 8.37 -7.23 0.51 -4.82 120.40 118.44 1xg3 s VAL 132 Ca 0.21 -0.03 -0.11 0.00 -1.81 0.00 0.00 61.98 60.24 1xg3 s VAL 132 Cb -0.08 -3.00 0.11 0.00 0.56 0.00 0.00 36.38 33.98 1xg3 s VAL 132 CO 0.10 0.00 1.10 -0.94 -0.31 0.00 0.00 175.10 175.05 1xg3 s SER 133 N -4.62 3.57 0.20 4.85 1.04 -1.26 -4.82 113.70 112.65 1xg3 s SER 133 Ca 0.64 1.84 -0.11 0.00 0.48 0.00 0.00 55.95 58.80 1xg3 s SER 133 Cb -0.10 -2.44 0.20 0.00 0.10 0.00 0.00 66.02 63.78 1xg3 s SER 133 CO 0.49 -2.63 1.80 0.50 0.98 0.00 0.00 173.24 174.38 1xg3 h LYS 134 N -1.54 0.59 -0.69 4.02 3.64 -1.98 -1.81 116.57 118.79 1xg3 h LYS 134 Ca -0.46 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 58.86 1xg3 h LYS 134 Cb 1.26 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 1xg3 h LYS 134 CO 0.49 0.39 0.32 0.93 -2.27 0.00 0.00 179.45 179.31 1xg3 h GLU 135 N 0.60 1.00 -0.70 1.90 3.07 -1.99 -0.81 114.58 117.66 1xg3 h GLU 135 Ca 0.27 -0.15 -0.03 0.00 -0.50 0.00 0.00 59.36 58.94 1xg3 h GLU 135 Cb 0.16 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 27.87 1xg3 h GLU 135 CO -0.17 0.80 0.32 0.93 -1.40 0.00 0.00 179.01 179.48 1xg3 h GLU 136 N 0.96 1.02 -0.57 2.33 5.08 -1.76 -1.65 114.58 119.99 1xg3 h GLU 136 Ca 0.24 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 1xg3 h GLU 136 Cb 0.14 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1xg3 h GLU 136 CO -0.03 0.81 -0.04 1.98 -1.00 0.00 0.00 179.01 180.74 1xg3 h MET 137 N 0.98 1.02 -0.88 2.33 4.05 -1.08 -2.26 114.93 119.09 1xg3 h MET 137 Ca 0.24 -0.34 0.04 0.00 -0.28 0.00 0.00 59.70 59.36 1xg3 h MET 137 Cb 0.15 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 30.81 1xg3 h MET 137 CO -0.03 1.02 0.58 0.28 0.23 0.00 0.00 176.91 178.99 1xg3 h VAL 138 N 0.93 1.15 -0.32 -5.77 2.07 -0.74 0.49 116.25 114.06 1xg3 h VAL 138 Ca 0.16 -0.38 -0.11 0.00 0.82 0.00 0.00 66.70 67.19 1xg3 h VAL 138 Cb 0.59 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1xg3 h VAL 138 CO 0.04 0.20 -0.26 0.44 0.02 0.00 0.00 177.57 178.00 1xg3 h ASP 139 N 1.10 0.66 -0.52 0.57 3.32 -0.99 0.81 116.42 121.36 1xg3 h ASP 139 Ca 0.35 -0.24 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 1xg3 h ASP 139 Cb 0.03 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1xg3 h ASP 139 CO -0.11 0.90 -0.13 0.03 -1.72 0.00 0.00 179.24 178.22 1xg3 h ARG 140 N 0.57 1.01 -0.34 3.56 3.08 -0.68 -2.04 114.38 119.54 1xg3 h ARG 140 Ca 0.08 -0.39 -0.05 0.00 0.07 0.00 0.00 59.98 59.69 1xg3 h ARG 140 Cb 0.74 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 1xg3 h ARG 140 CO 0.06 1.07 0.03 0.82 -1.07 0.00 0.00 179.97 180.88 1xg3 h ILE 141 N 0.88 1.25 -0.69 2.04 2.04 -0.68 -1.46 117.51 120.88 1xg3 h ILE 141 Ca 0.13 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1xg3 h ILE 141 Cb 0.70 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 1xg3 h ILE 141 CO 0.05 0.30 0.38 0.03 0.00 0.00 0.00 178.15 178.91 1xg3 h ARG 142 N 0.39 0.94 -0.43 2.37 3.08 -0.78 0.02 114.38 119.99 1xg3 h ARG 142 Ca 0.10 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 59.97 1xg3 h ARG 142 Cb 0.40 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1xg3 h ARG 142 CO 0.01 0.69 -0.04 0.00 -1.07 0.00 0.00 179.97 179.56 1xg3 h ALA 143 N 1.46 0.58 -0.07 0.04 0.00 -1.16 -1.71 119.26 118.40 1xg3 h ALA 143 Ca 0.24 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xg3 h ALA 143 Cb 0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1xg3 h ALA 143 CO -0.04 0.40 0.03 0.00 0.00 0.00 0.00 179.25 179.64 1xg3 h ALA 144 N 0.88 0.09 -0.12 0.00 0.00 -0.64 -2.27 119.26 117.20 1xg3 h ALA 144 Ca 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xg3 h ALA 144 Cb 0.55 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1xg3 h ALA 144 CO 0.03 -0.32 0.08 0.28 0.00 0.00 0.00 179.25 179.31 1xg3 h VAL 145 N -0.04 1.04 0.00 0.00 2.07 -0.99 -2.58 116.25 115.76 1xg3 h VAL 145 Ca 0.02 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1xg3 h VAL 145 Cb 0.16 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1xg3 h VAL 145 CO -0.00 0.04 -0.04 0.44 0.02 0.00 0.00 177.57 178.03 1xg3 h ASP 146 N 0.16 0.00 1.55 0.57 3.32 -1.28 -2.62 116.42 118.12 1xg3 h ASP 146 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1xg3 h ASP 146 Cb -0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1xg3 h ASP 146 CO -0.01 0.04 -0.01 0.00 -1.72 0.00 0.00 179.24 177.54 1xg3 h ALA 147 N 1.96 0.99 -1.92 3.45 0.00 -0.99 -3.47 119.26 119.29 1xg3 h ALA 147 Ca -0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 1xg3 h ALA 147 Cb 0.26 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.08 1xg3 h ALA 147 CO 0.01 0.00 0.87 1.63 0.00 0.00 0.00 179.25 181.75 1xg3 n LYS 148 N -2.39 1.76 -0.00 0.00 5.02 -0.99 -4.56 118.16 116.99 1xg3 n LYS 148 Ca 0.05 0.64 0.10 0.00 -2.02 0.00 0.00 58.31 57.09 1xg3 n LYS 148 Cb 0.45 -2.39 -0.12 0.00 -0.02 0.00 0.00 35.03 32.95 1xg3 n LYS 148 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1xg3 n THR 149 N 4.13 0.00 -3.98 -0.18 -2.24 -1.26 -4.75 114.28 106.00 1xg3 n THR 149 Ca 0.21 -0.10 -0.30 0.00 -2.27 0.00 0.00 64.05 61.59 1xg3 n THR 149 Cb 0.24 0.78 -0.16 0.00 -2.10 0.00 0.00 70.33 69.09 1xg3 n THR 149 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xg3 s ASP 150 N -3.30 3.42 0.53 3.42 -1.08 -1.26 -5.01 116.67 113.39 1xg3 s ASP 150 Ca 0.05 -0.91 0.23 0.00 -0.52 0.00 0.00 52.55 51.39 1xg3 s ASP 150 Cb 0.16 -1.21 1.37 0.00 -1.46 0.00 0.00 42.92 41.77 1xg3 s ASP 150 CO 0.87 -0.16 2.04 1.55 0.52 0.00 0.00 175.17 180.00 1xg3 h PRO 151 N 7.98 0.00 -0.00 4.34 0.13 -2.01 -1.29 132.00 141.15 1xg3 h PRO 151 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1xg3 h PRO 151 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1xg3 h PRO 151 CO 0.46 0.00 -0.03 -0.25 -0.23 0.00 0.00 178.00 177.95 1xg3 n ASP 152 N -4.40 0.14 -4.77 1.44 8.00 -1.26 -4.83 116.55 110.87 1xg3 n ASP 152 Ca 0.06 -0.39 -0.39 0.00 0.71 0.00 0.00 54.79 54.77 1xg3 n ASP 152 Cb 0.45 -0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 41.34 1xg3 n ASP 152 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1xg3 s PHE 153 N -2.46 3.05 -0.22 1.24 5.36 -0.49 -3.82 117.98 120.65 1xg3 s PHE 153 Ca 0.31 1.50 -0.11 0.00 -0.96 0.00 0.00 56.93 57.67 1xg3 s PHE 153 Cb 0.20 -3.53 -0.05 0.00 -0.34 0.00 0.00 43.02 39.31 1xg3 s PHE 153 CO 0.45 -1.58 0.17 0.08 -1.46 0.00 0.00 175.22 172.88 1xg3 s VAL 154 N -1.28 5.37 -0.41 3.12 1.01 -0.72 -4.98 120.40 122.52 1xg3 s VAL 154 Ca 0.54 0.23 -0.11 0.00 0.00 0.00 0.00 61.98 62.63 1xg3 s VAL 154 Cb -0.35 -3.50 0.06 0.00 0.00 0.00 0.00 36.38 32.58 1xg3 s VAL 154 CO 0.45 0.38 0.26 -0.63 0.00 0.00 0.00 175.10 175.57 1xg3 s ILE 155 N 0.74 4.53 -0.17 2.22 -1.09 -1.26 -1.06 121.20 125.12 1xg3 s ILE 155 Ca 0.09 -1.13 -0.07 0.00 -2.23 0.00 0.00 60.65 57.30 1xg3 s ILE 155 Cb -0.12 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 1xg3 s ILE 155 CO 0.02 -0.41 0.08 -0.32 -1.23 0.00 0.00 174.94 173.08 1xg3 s MET 156 N 1.51 3.85 -0.17 2.79 -2.45 0.06 -1.06 119.30 123.84 1xg3 s MET 156 Ca 0.03 -0.29 -0.09 0.00 -1.25 0.00 0.00 55.69 54.10 1xg3 s MET 156 Cb -0.22 -3.22 -0.05 0.00 1.25 0.00 0.00 34.83 32.60 1xg3 s MET 156 CO 0.05 0.40 0.13 0.00 1.05 0.00 0.00 175.02 176.64 1xg3 s ALA 157 N 0.03 3.73 -0.07 4.11 0.00 -0.49 -1.46 121.76 127.61 1xg3 s ALA 157 Ca 0.07 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.39 1xg3 s ALA 157 Cb -0.12 -2.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 1xg3 s ALA 157 CO 0.00 0.34 -0.17 0.50 0.00 0.00 0.00 175.76 176.43 1xg3 s ARG 158 N -0.17 2.71 -0.07 0.00 3.52 0.08 -0.28 118.95 124.73 1xg3 s ARG 158 Ca 0.10 -0.75 0.05 0.00 -0.13 0.00 0.00 55.73 55.00 1xg3 s ARG 158 Cb -0.11 -2.37 -0.01 0.00 -1.56 0.00 0.00 34.95 30.89 1xg3 s ARG 158 CO 0.00 0.47 -0.23 -0.08 -0.81 0.00 0.00 175.30 174.65 1xg3 s THR 159 N -0.33 2.24 -0.91 4.11 -1.32 -0.80 -2.70 115.64 115.93 1xg3 s THR 159 Ca 0.03 -0.99 0.16 0.00 -1.21 0.00 0.00 61.69 59.67 1xg3 s THR 159 Cb -0.13 -1.84 0.53 0.00 -1.51 0.00 0.00 72.50 69.55 1xg3 s THR 159 CO 0.02 0.57 1.44 0.47 -2.21 0.00 0.00 174.62 174.91 1xg3 n ASP 160 N 3.04 3.86 0.19 8.08 8.00 -1.26 -2.14 116.55 136.32 1xg3 n ASP 160 Ca -0.18 -2.38 0.14 0.00 0.71 0.00 0.00 54.79 53.08 1xg3 n ASP 160 Cb 0.52 -0.44 0.55 0.00 -0.02 0.00 0.00 41.12 41.73 1xg3 n ASP 160 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xg3 h ALA 161 N 2.86 1.00 0.10 2.24 0.00 -1.94 -3.35 119.26 120.18 1xg3 h ALA 161 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1xg3 h ALA 161 Cb 1.16 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 1xg3 h ALA 161 CO 0.13 0.00 -0.32 1.25 0.00 0.00 0.00 179.25 180.31 1xg3 h LEU 162 N 0.00 -0.93 -1.68 0.00 5.85 -1.84 0.29 115.31 117.00 1xg3 h LEU 162 Ca 0.00 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1xg3 h LEU 162 Cb 0.49 0.36 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 1xg3 h LEU 162 CO 0.00 -0.41 -0.06 0.00 -0.34 0.00 0.00 178.44 177.64 1xg3 h ALA 163 N 0.12 1.04 0.03 1.25 0.00 -1.90 -0.91 119.26 118.90 1xg3 h ALA 163 Ca 0.03 -0.05 -0.34 0.00 0.00 0.00 0.00 54.91 54.56 1xg3 h ALA 163 Cb 0.57 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1xg3 h ALA 163 CO -0.20 0.07 -1.87 0.28 0.00 0.00 0.00 179.25 177.53 1xg3 n VAL 164 N -3.22 1.58 0.15 0.00 0.31 -0.91 -4.73 118.33 111.50 1xg3 n VAL 164 Ca -0.00 -0.30 0.02 0.00 -0.01 0.00 0.00 64.34 64.04 1xg3 n VAL 164 Cb 0.28 -1.87 -0.00 0.00 -0.91 0.00 0.00 33.84 31.34 1xg3 n VAL 164 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1xg3 n GLU 165 N -4.07 2.71 0.00 5.55 1.02 0.98 -5.12 120.64 121.71 1xg3 n GLU 165 Ca -0.39 -0.36 0.00 0.00 -0.02 0.00 0.00 57.16 56.39 1xg3 n GLU 165 Cb 0.84 -0.86 0.00 0.00 -0.02 0.00 0.00 31.44 31.40 1xg3 n GLU 165 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xg3 n GLY 166 N 0.64 0.96 0.37 0.62 0.00 -0.35 -4.49 105.19 102.93 1xg3 n GLY 166 Ca 0.01 -1.90 -0.17 0.00 0.00 0.00 0.00 46.02 43.96 1xg3 n GLY 166 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xg3 h LEU 167 N 0.00 -0.83 -0.66 0.99 5.85 -1.88 -1.58 115.31 117.19 1xg3 h LEU 167 Ca 0.00 0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.88 1xg3 h LEU 167 Cb 0.00 0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.20 1xg3 h LEU 167 CO 0.00 -0.51 0.25 0.44 -0.34 0.00 0.00 178.44 178.28 1xg3 h ASP 168 N -0.81 0.24 -0.59 1.25 3.32 -1.98 -0.41 116.42 117.44 1xg3 h ASP 168 Ca -0.06 0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 1xg3 h ASP 168 Cb 0.66 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 1xg3 h ASP 168 CO 0.06 0.12 0.17 0.00 -1.72 0.00 0.00 179.24 177.87 1xg3 h ALA 169 N 1.47 0.78 -0.62 3.45 0.00 -1.76 -1.34 119.26 121.23 1xg3 h ALA 169 Ca 0.35 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1xg3 h ALA 169 Cb 0.46 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1xg3 h ALA 169 CO -0.34 0.46 0.23 0.00 0.00 0.00 0.00 179.25 179.60 1xg3 h ALA 170 N 1.05 0.81 -0.59 0.00 0.00 -0.51 -0.79 119.26 119.22 1xg3 h ALA 170 Ca 0.19 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1xg3 h ALA 170 Cb 0.31 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1xg3 h ALA 170 CO -0.00 0.44 0.05 0.82 0.00 0.00 0.00 179.25 180.56 1xg3 h ILE 171 N 0.87 1.26 -0.80 0.00 2.04 -0.93 0.49 117.51 120.44 1xg3 h ILE 171 Ca 0.21 -1.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 1xg3 h ILE 171 Cb 0.23 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 1xg3 h ILE 171 CO -0.01 0.38 0.39 -0.08 0.00 0.00 0.00 178.15 178.83 1xg3 h GLU 172 N 0.91 1.14 -0.38 2.37 4.81 -0.87 -0.39 114.58 122.17 1xg3 h GLU 172 Ca 0.18 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 1xg3 h GLU 172 Cb 0.46 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1xg3 h GLU 172 CO 0.02 0.88 0.00 0.00 -0.73 0.00 0.00 179.01 179.18 1xg3 h ARG 173 N 1.12 0.68 -0.76 1.92 3.08 -0.69 -2.01 114.38 117.71 1xg3 h ARG 173 Ca 0.27 -0.21 0.04 0.00 0.07 0.00 0.00 59.98 60.15 1xg3 h ARG 173 Cb 0.11 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 1xg3 h ARG 173 CO -0.04 0.77 0.47 0.00 -1.07 0.00 0.00 179.97 180.11 1xg3 h ALA 174 N 0.88 1.01 -0.46 0.04 0.00 -0.50 0.83 119.26 121.06 1xg3 h ALA 174 Ca 0.11 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xg3 h ALA 174 Cb 0.47 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1xg3 h ALA 174 CO 0.02 0.25 0.27 1.96 0.00 0.00 0.00 179.25 181.75 1xg3 h GLN 175 N 0.91 0.62 -0.54 0.00 4.20 -0.86 -1.32 115.11 118.12 1xg3 h GLN 175 Ca 0.31 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.88 1xg3 h GLN 175 Cb 0.06 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 1xg3 h GLN 175 CO -0.13 0.46 0.01 0.00 -0.67 0.00 0.00 178.83 178.51 1xg3 h ALA 176 N 1.12 1.01 -0.40 3.87 0.00 -0.73 -1.01 119.26 123.12 1xg3 h ALA 176 Ca 0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1xg3 h ALA 176 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1xg3 h ALA 176 CO -0.03 0.61 0.18 1.88 0.00 0.00 0.00 179.25 181.89 1xg3 h TYR 177 N 0.84 0.60 -0.40 0.00 0.05 -0.46 -1.19 116.97 116.41 1xg3 h TYR 177 Ca 0.16 -0.04 -0.14 0.00 0.05 0.00 0.00 58.73 58.77 1xg3 h TYR 177 Cb 0.48 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 1xg3 h TYR 177 CO 0.03 0.51 -0.28 0.28 -1.05 0.00 0.00 178.16 177.65 1xg3 h VAL 178 N 0.51 1.28 -0.65 -2.88 2.07 -1.15 -1.93 116.25 113.50 1xg3 h VAL 178 Ca 0.14 -1.44 0.07 0.00 0.82 0.00 0.00 66.70 66.29 1xg3 h VAL 178 Cb 0.15 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1xg3 h VAL 178 CO -0.01 0.48 0.43 -0.33 0.02 0.00 0.00 177.57 178.16 1xg3 h GLU 179 N 0.71 0.59 0.00 1.57 5.08 -1.01 0.50 114.58 122.01 1xg3 h GLU 179 Ca 0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1xg3 h GLU 179 Cb 0.86 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1xg3 h GLU 179 CO 0.08 0.39 0.00 0.00 -1.00 0.00 0.00 179.01 178.47 1xg3 n ALA 180 N -2.48 2.51 0.00 3.43 0.00 -0.47 -4.86 120.51 118.65 1xg3 n ALA 180 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1xg3 n ALA 180 Cb 0.27 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1xg3 n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xg3 n GLY 181 N 0.70 1.19 3.70 0.00 0.00 0.16 -4.50 105.19 106.44 1xg3 n GLY 181 Ca 0.20 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.78 1xg3 n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xg3 n ALA 182 N -0.37 1.92 0.05 4.61 0.00 -0.77 -4.86 120.51 121.09 1xg3 n ALA 182 Ca 0.00 0.42 0.03 0.00 0.00 0.00 0.00 53.44 53.89 1xg3 n ALA 182 Cb 0.00 -2.40 -0.06 0.00 0.00 0.00 0.00 19.45 16.98 1xg3 n ALA 182 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xg3 n GLU 183 N 3.12 0.62 -3.95 0.00 1.02 -0.22 -4.51 120.64 116.71 1xg3 n GLU 183 Ca 0.14 0.18 -0.09 0.00 -0.02 0.00 0.00 57.16 57.38 1xg3 n GLU 183 Cb 0.32 -1.80 -0.09 0.00 -0.02 0.00 0.00 31.44 29.85 1xg3 n GLU 183 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1xg3 s MET 184 N -3.06 0.67 -0.04 3.49 -1.94 -1.23 -4.32 119.30 112.87 1xg3 s MET 184 Ca -0.02 -0.94 0.06 0.00 -1.71 0.00 0.00 55.69 53.07 1xg3 s MET 184 Cb 0.09 0.26 -0.01 0.00 2.01 0.00 0.00 34.83 37.18 1xg3 s MET 184 CO 0.81 -0.17 -0.21 -1.17 -0.01 0.00 0.00 175.02 174.27 1xg3 s LEU 185 N -2.55 2.01 -0.59 -0.03 2.96 -0.41 -1.39 118.68 118.67 1xg3 s LEU 185 Ca 0.01 -0.41 0.03 0.00 -0.22 0.00 0.00 54.13 53.55 1xg3 s LEU 185 Cb 0.03 -1.13 0.15 0.00 0.50 0.00 0.00 46.19 45.74 1xg3 s LEU 185 CO -0.08 0.22 0.35 0.12 -1.32 0.00 0.00 176.35 175.64 1xg3 s PHE 186 N -0.23 3.32 -0.54 5.38 2.19 0.61 -0.83 117.98 127.89 1xg3 s PHE 186 Ca 0.01 -3.16 -0.27 0.00 0.33 0.00 0.00 56.93 53.84 1xg3 s PHE 186 Cb -0.11 -2.86 0.03 0.00 -1.31 0.00 0.00 43.02 38.78 1xg3 s PHE 186 CO 0.01 -0.71 1.11 -1.25 1.83 0.00 0.00 175.22 176.21 1xg3 s PRO 187 N -0.57 3.53 0.43 10.12 0.04 -1.26 -1.90 135.00 145.40 1xg3 s PRO 187 Ca 0.19 0.22 -0.23 0.00 0.04 0.00 0.00 61.00 61.22 1xg3 s PRO 187 Cb -0.20 -3.99 -0.08 0.00 0.04 0.00 0.00 34.50 30.27 1xg3 s PRO 187 CO -0.04 -1.53 1.07 -2.00 0.04 0.00 0.00 177.00 174.54 1xg3 s GLU 188 N 4.54 4.00 -1.41 4.56 2.56 -0.91 -4.24 118.70 127.80 1xg3 s GLU 188 Ca 0.41 1.54 -0.01 0.00 0.00 0.00 0.00 54.97 56.92 1xg3 s GLU 188 Cb -0.08 -2.42 0.01 0.00 2.00 0.00 0.00 34.13 33.63 1xg3 s GLU 188 CO 0.26 -0.30 0.46 0.00 -0.56 0.00 0.00 175.26 175.13 1xg3 n ALA 189 N -0.35 -1.98 -2.01 6.30 0.00 -1.26 -4.77 120.51 116.45 1xg3 n ALA 189 Ca 0.06 -0.24 -0.41 0.00 0.00 0.00 0.00 53.44 52.85 1xg3 n ALA 189 Cb 0.50 -1.63 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 1xg3 n ALA 189 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xg3 s ILE 190 N -3.90 3.29 -0.14 0.00 -1.09 -1.26 -4.76 121.20 113.34 1xg3 s ILE 190 Ca 0.04 1.07 0.18 0.00 -2.23 0.00 0.00 60.65 59.71 1xg3 s ILE 190 Cb -0.02 -3.69 -0.24 0.00 -1.58 0.00 0.00 42.46 36.93 1xg3 s ILE 190 CO 0.88 0.17 0.34 0.35 -1.23 0.00 0.00 174.94 175.44 1xg3 n THR 191 N 2.53 1.19 -5.16 2.92 -2.24 -1.26 -4.03 114.28 108.23 1xg3 n THR 191 Ca 0.05 -0.77 -0.30 0.00 -2.27 0.00 0.00 64.05 60.76 1xg3 n THR 191 Cb 0.43 -0.53 -0.16 0.00 -2.10 0.00 0.00 70.33 67.97 1xg3 n THR 191 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xg3 s GLU 192 N -2.72 2.21 0.32 -0.78 2.02 -1.26 -4.62 118.70 113.86 1xg3 s GLU 192 Ca -0.08 -0.83 0.07 0.00 0.02 0.00 0.00 54.97 54.15 1xg3 s GLU 192 Cb 0.08 -1.95 0.76 0.00 0.10 0.00 0.00 34.13 33.12 1xg3 s GLU 192 CO 0.84 0.39 1.79 1.25 0.02 0.00 0.00 175.26 179.56 1xg3 h LEU 193 N 5.95 0.76 -1.89 1.80 6.46 -2.00 -1.79 115.31 124.59 1xg3 h LEU 193 Ca -0.35 0.08 0.06 0.00 -0.12 0.00 0.00 57.88 57.55 1xg3 h LEU 193 Cb 1.16 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.02 1xg3 h LEU 193 CO 0.47 0.29 0.20 0.00 -0.62 0.00 0.00 178.44 178.78 1xg3 h ALA 194 N 1.63 2.09 -0.88 1.25 0.00 -1.97 -2.71 119.26 118.66 1xg3 h ALA 194 Ca 0.56 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.44 1xg3 h ALA 194 Cb 0.88 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1xg3 h ALA 194 CO -0.34 -0.16 0.48 0.52 0.00 0.00 0.00 179.25 179.76 1xg3 h MET 195 N 0.13 1.23 -0.68 0.00 2.86 -1.74 -2.45 114.93 114.29 1xg3 h MET 195 Ca 0.13 -0.14 0.07 0.00 -2.06 0.00 0.00 59.70 57.69 1xg3 h MET 195 Cb 0.34 -0.24 -0.06 0.00 0.06 0.00 0.00 31.60 31.70 1xg3 h MET 195 CO -0.02 0.90 0.36 1.88 1.06 0.00 0.00 176.91 181.10 1xg3 h TYR 196 N 1.24 0.66 -0.50 -0.22 0.05 -1.63 0.15 116.97 116.72 1xg3 h TYR 196 Ca 0.31 0.03 0.03 0.00 0.05 0.00 0.00 58.73 59.15 1xg3 h TYR 196 Cb 0.03 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 37.53 1xg3 h TYR 196 CO 0.01 0.29 0.28 -0.09 -1.05 0.00 0.00 178.16 177.61 1xg3 h ARG 197 N 0.66 0.54 -0.75 4.88 9.65 -1.25 -0.19 114.38 127.92 1xg3 h ARG 197 Ca 0.31 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 59.14 1xg3 h ARG 197 Cb 0.24 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.66 1xg3 h ARG 197 CO -0.21 0.36 0.38 1.96 2.80 0.00 0.00 179.97 185.26 1xg3 h GLN 198 N 0.56 1.06 -0.17 0.20 4.20 -0.81 -0.11 115.11 120.03 1xg3 h GLN 198 Ca 0.21 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 1xg3 h GLN 198 Cb 0.06 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1xg3 h GLN 198 CO -0.12 0.81 0.02 0.74 -0.67 0.00 0.00 178.83 179.61 1xg3 h PHE 199 N 1.04 0.32 -0.55 2.96 0.04 -0.63 -1.16 116.94 118.95 1xg3 h PHE 199 Ca 0.26 -0.05 0.04 0.00 2.80 0.00 0.00 57.97 61.02 1xg3 h PHE 199 Cb 0.08 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.10 1xg3 h PHE 199 CO 0.00 0.47 0.31 0.00 -0.60 0.00 0.00 178.31 178.49 1xg3 h ALA 200 N 0.81 0.72 -0.67 2.45 0.00 -0.75 -1.25 119.26 120.57 1xg3 h ALA 200 Ca 0.05 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1xg3 h ALA 200 Cb 0.33 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1xg3 h ALA 200 CO 0.01 -0.00 0.20 -0.44 0.00 0.00 0.00 179.25 179.01 1xg3 h ASP 201 N 0.60 0.98 -0.33 0.00 3.32 -0.94 -0.81 116.42 119.24 1xg3 h ASP 201 Ca 0.24 -0.21 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 1xg3 h ASP 201 Cb 0.09 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1xg3 h ASP 201 CO -0.13 0.93 -0.05 0.00 -1.72 0.00 0.00 179.24 178.27 1xg3 h ALA 202 N 1.08 1.12 0.00 3.45 0.00 -0.52 -3.34 119.26 121.05 1xg3 h ALA 202 Ca 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1xg3 h ALA 202 Cb 0.31 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1xg3 h ALA 202 CO -0.01 0.56 -1.72 1.33 0.00 0.00 0.00 179.25 179.41 1xg3 n VAL 203 N -4.20 0.04 -1.81 0.00 0.24 -0.54 -4.90 118.33 107.15 1xg3 n VAL 203 Ca 0.02 -0.37 -0.20 0.00 -2.04 0.00 0.00 64.34 61.76 1xg3 n VAL 203 Cb 0.32 0.11 -0.06 0.00 -1.47 0.00 0.00 33.84 32.74 1xg3 n VAL 203 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xg3 n GLN 204 N -2.06 -1.42 -4.40 7.34 1.13 -0.32 -4.98 117.38 112.67 1xg3 n GLN 204 Ca -0.04 1.12 -0.20 0.00 -1.94 0.00 0.00 57.00 55.94 1xg3 n GLN 204 Cb 0.43 -5.53 -0.10 0.00 0.11 0.00 0.00 30.24 25.15 1xg3 n GLN 204 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1xg3 s VAL 205 N -2.80 1.80 0.24 5.09 -7.23 -1.26 -5.10 120.40 111.14 1xg3 s VAL 205 Ca 0.00 -2.20 -0.31 0.00 -1.81 0.00 0.00 61.98 57.66 1xg3 s VAL 205 Cb 0.00 -2.26 -0.13 0.00 0.56 0.00 0.00 36.38 34.56 1xg3 s VAL 205 CO 0.00 -0.44 1.56 -2.65 -0.31 0.00 0.00 175.10 173.26 1xg3 n PRO 206 N -0.50 2.41 -4.39 4.82 -0.02 -1.26 -4.74 135.00 131.31 1xg3 n PRO 206 Ca -0.06 0.86 -0.31 0.00 -2.02 0.00 0.00 63.50 61.97 1xg3 n PRO 206 Cb 0.62 -2.62 -0.10 0.00 -0.02 0.00 0.00 33.50 31.38 1xg3 n PRO 206 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1xg3 s ILE 207 N 0.35 3.46 -0.07 4.25 -4.36 -1.26 -1.29 121.20 122.28 1xg3 s ILE 207 Ca 0.70 -1.00 0.01 0.00 -0.26 0.00 0.00 60.65 60.09 1xg3 s ILE 207 Cb -0.58 -2.55 -0.03 0.00 1.25 0.00 0.00 42.46 40.56 1xg3 s ILE 207 CO 0.44 0.28 -0.07 -0.22 0.24 0.00 0.00 174.94 175.61 1xg3 s LEU 208 N -1.73 3.18 -0.19 0.37 0.20 -0.01 -1.47 118.68 119.03 1xg3 s LEU 208 Ca 0.19 -0.03 -0.04 0.00 0.69 0.00 0.00 54.13 54.94 1xg3 s LEU 208 Cb -0.11 -1.70 -0.02 0.00 -0.43 0.00 0.00 46.19 43.93 1xg3 s LEU 208 CO 0.10 0.35 -0.02 0.00 -0.29 0.00 0.00 176.35 176.49 1xg3 s ALA 209 N -0.73 2.97 -0.84 5.97 0.00 0.31 -4.04 121.76 125.39 1xg3 s ALA 209 Ca 0.11 -0.98 -0.19 0.00 0.00 0.00 0.00 51.96 50.90 1xg3 s ALA 209 Cb -0.11 -1.69 0.13 0.00 0.00 0.00 0.00 23.12 21.44 1xg3 s ALA 209 CO 0.02 -0.11 1.02 1.21 0.00 0.00 0.00 175.76 177.89 1xg3 s ASN 210 N 0.94 6.51 -1.24 0.00 2.47 -1.26 -0.41 114.94 121.95 1xg3 s ASN 210 Ca 0.01 -1.85 -0.09 0.00 0.42 0.00 0.00 52.86 51.34 1xg3 s ASN 210 Cb -0.14 -2.37 0.19 0.00 -1.45 0.00 0.00 41.25 37.47 1xg3 s ASN 210 CO 0.01 -1.09 1.78 -0.38 -3.72 0.00 0.00 177.10 173.70 1xg3 n ILE 211 N 5.44 4.51 -3.65 -5.21 2.08 0.44 -4.84 119.36 118.13 1xg3 n ILE 211 Ca 0.15 -4.68 -0.27 0.00 0.56 0.00 0.00 62.75 58.50 1xg3 n ILE 211 Cb 0.48 -2.32 -0.03 0.00 -0.75 0.00 0.00 39.64 37.01 1xg3 n ILE 211 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1xg3 s THR 212 N -0.09 5.18 0.53 1.39 -1.32 -1.26 -4.54 115.64 115.54 1xg3 s THR 212 Ca 0.38 -0.31 -0.12 0.00 -1.21 0.00 0.00 61.69 60.43 1xg3 s THR 212 Cb 0.08 -3.73 -0.05 0.00 -1.51 0.00 0.00 72.50 67.28 1xg3 s THR 212 CO 0.02 -0.19 0.94 -1.61 -2.21 0.00 0.00 174.62 171.57 1xg3 s GLU 213 N -3.36 3.72 -1.47 7.08 8.01 -1.26 -4.27 118.70 127.16 1xg3 s GLU 213 Ca 0.39 0.68 -0.11 0.00 0.01 0.00 0.00 54.97 55.95 1xg3 s GLU 213 Cb -0.11 -2.19 0.05 0.00 -4.31 0.00 0.00 34.13 27.58 1xg3 s GLU 213 CO 0.29 -0.34 0.93 1.19 0.01 0.00 0.00 175.26 177.34 1xg3 n PHE 214 N -2.10 -2.35 -2.22 1.61 3.72 -1.26 -4.97 117.46 109.89 1xg3 n PHE 214 Ca 0.05 0.83 0.00 0.00 -0.05 0.00 0.00 57.45 58.28 1xg3 n PHE 214 Cb 0.54 -4.21 0.00 0.00 -0.94 0.00 0.00 39.48 34.87 1xg3 n PHE 214 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xg3 n GLY 215 N -1.70 5.58 0.01 1.37 0.00 -1.26 -5.04 105.19 104.15 1xg3 n GLY 215 Ca 0.01 -1.69 0.12 0.00 0.00 0.00 0.00 46.02 44.46 1xg3 n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xg3 n ALA 216 N -3.00 3.35 -2.80 4.61 0.00 -1.26 -4.88 120.51 116.53 1xg3 n ALA 216 Ca 0.00 -0.31 -0.35 0.00 0.00 0.00 0.00 53.44 52.78 1xg3 n ALA 216 Cb 0.00 -1.16 -0.09 0.00 0.00 0.00 0.00 19.45 18.20 1xg3 n ALA 216 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1xg3 s THR 217 N -3.03 4.91 0.91 0.00 2.01 -1.26 -4.40 115.64 114.78 1xg3 s THR 217 Ca 0.10 0.01 -0.10 0.00 0.31 0.00 0.00 61.69 62.01 1xg3 s THR 217 Cb 0.17 -3.21 0.14 0.00 0.01 0.00 0.00 72.50 69.61 1xg3 s THR 217 CO 0.69 0.46 1.14 -2.84 -0.69 0.00 0.00 174.62 173.38 1xg3 s PRO 218 N 0.31 1.04 -1.34 4.92 0.02 -1.26 -4.84 135.00 133.84 1xg3 s PRO 218 Ca 0.04 1.52 -0.15 0.00 0.02 0.00 0.00 61.00 62.43 1xg3 s PRO 218 Cb -0.12 -1.73 0.09 0.00 0.02 0.00 0.00 34.50 32.75 1xg3 s PRO 218 CO -0.00 -2.61 1.90 1.28 -0.33 0.00 0.00 177.00 177.24 1xg3 n LEU 219 N -4.21 5.94 -4.77 -5.54 4.77 -1.26 -4.94 117.00 106.99 1xg3 n LEU 219 Ca 0.12 -4.18 -0.39 0.00 -0.03 0.00 0.00 56.01 51.53 1xg3 n LEU 219 Cb 0.52 -1.66 -0.01 0.00 -2.33 0.00 0.00 43.42 39.94 1xg3 n LEU 219 CO 0.50 0.76 0.93 -0.36 -1.33 0.00 0.00 177.39 177.89 1xg3 s PHE 220 N 2.95 2.85 0.61 -1.77 0.08 -1.26 -5.03 117.98 116.40 1xg3 s PHE 220 Ca 0.48 1.44 -0.06 0.00 0.12 0.00 0.00 56.93 58.91 1xg3 s PHE 220 Cb 0.08 -3.61 0.02 0.00 -0.57 0.00 0.00 43.02 38.93 1xg3 s PHE 220 CO -0.00 -1.94 0.91 0.95 -0.10 0.00 0.00 175.22 175.04 1xg3 s THR 221 N -1.30 3.44 0.39 0.64 -4.23 -1.26 -4.90 115.64 108.41 1xg3 s THR 221 Ca 0.58 -0.05 0.09 0.00 -1.18 0.00 0.00 61.69 61.12 1xg3 s THR 221 Cb -0.36 -3.38 0.17 0.00 1.34 0.00 0.00 72.50 70.27 1xg3 s THR 221 CO 0.46 -0.39 1.93 0.71 -0.54 0.00 0.00 174.62 176.79 1xg3 h THR 222 N -0.23 1.17 -0.18 3.99 1.35 -1.98 -1.13 112.91 115.89 1xg3 h THR 222 Ca -0.45 -0.71 -0.01 0.00 -0.55 0.00 0.00 66.41 64.69 1xg3 h THR 222 Cb 1.27 1.11 -0.01 0.00 -1.73 0.00 0.00 68.15 68.79 1xg3 h THR 222 CO 0.60 0.23 0.07 0.44 -0.25 0.00 0.00 175.52 176.61 1xg3 h ASP 223 N 0.28 0.26 -0.57 5.36 3.32 -1.98 0.66 116.42 123.75 1xg3 h ASP 223 Ca 0.06 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 1xg3 h ASP 223 Cb 0.32 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 1xg3 h ASP 223 CO 0.02 0.37 0.29 -0.33 -1.72 0.00 0.00 179.24 177.86 1xg3 h GLU 224 N 0.14 0.81 -0.33 3.56 5.08 -1.83 -1.70 114.58 120.30 1xg3 h GLU 224 Ca 0.06 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1xg3 h GLU 224 Cb 0.19 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1xg3 h GLU 224 CO -0.00 0.65 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.56 1xg3 h LEU 225 N 0.77 0.50 -0.91 1.33 3.38 -1.09 -2.10 115.31 117.18 1xg3 h LEU 225 Ca 0.20 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1xg3 h LEU 225 Cb 0.09 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1xg3 h LEU 225 CO -0.03 0.58 0.26 -0.09 0.09 0.00 0.00 178.44 179.25 1xg3 h ARG 226 N 0.50 1.05 0.00 1.13 2.43 -0.11 -1.57 114.38 117.82 1xg3 h ARG 226 Ca 0.10 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 1xg3 h ARG 226 Cb 0.36 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1xg3 h ARG 226 CO 0.01 0.87 -0.07 0.66 -1.51 0.00 0.00 179.97 179.94 1xg3 h SER 227 N 1.02 0.00 -0.64 -3.80 4.64 -0.66 -2.11 113.55 112.01 1xg3 h SER 227 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1xg3 h SER 227 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1xg3 h SER 227 CO -0.02 0.07 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 1xg3 n ALA 228 N -2.15 2.64 -1.52 5.18 0.00 -0.73 -4.94 120.51 118.99 1xg3 n ALA 228 Ca -0.01 -1.26 -0.11 0.00 0.00 0.00 0.00 53.44 52.06 1xg3 n ALA 228 Cb 0.28 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.71 1xg3 n ALA 228 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xg3 n HIS 229 N 1.28 -0.11 -2.40 0.00 -0.00 -0.79 -2.73 115.22 110.46 1xg3 n HIS 229 Ca 0.23 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.53 1xg3 n HIS 229 Cb 0.66 -2.21 -0.03 0.00 -0.00 0.00 0.00 29.99 28.40 1xg3 n HIS 229 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1xg3 s VAL 230 N -2.45 3.82 -0.01 1.59 1.01 -0.67 -4.75 120.40 118.95 1xg3 s VAL 230 Ca 0.00 1.40 0.11 0.00 0.00 0.00 0.00 61.98 63.50 1xg3 s VAL 230 Cb 0.00 -3.90 -0.22 0.00 0.00 0.00 0.00 36.38 32.26 1xg3 s VAL 230 CO 0.00 0.16 0.83 0.00 0.00 0.00 0.00 175.10 176.10 1xg3 h ALA 231 N 6.06 0.66 -3.62 5.51 0.00 -1.59 -3.36 119.26 122.93 1xg3 h ALA 231 Ca -0.43 -1.30 -0.22 0.00 0.00 0.00 0.00 54.91 52.96 1xg3 h ALA 231 Cb 1.21 0.31 -0.27 0.00 0.00 0.00 0.00 17.79 19.05 1xg3 h ALA 231 CO 0.78 1.47 -0.70 -1.64 0.00 0.00 0.00 179.25 179.16 1xg3 s MET 232 N -2.64 0.05 -0.22 0.00 -1.94 -0.85 -0.70 119.30 113.00 1xg3 s MET 232 Ca -0.03 -0.04 0.01 0.00 -1.71 0.00 0.00 55.69 53.92 1xg3 s MET 232 Cb 0.08 0.02 0.04 0.00 2.01 0.00 0.00 34.83 36.98 1xg3 s MET 232 CO 0.82 -0.01 -0.14 0.00 -0.01 0.00 0.00 175.02 175.68 1xg3 s ALA 233 N -0.13 2.49 -0.16 3.03 0.00 -0.28 -0.53 121.76 126.18 1xg3 s ALA 233 Ca -0.02 -1.47 -0.08 0.00 0.00 0.00 0.00 51.96 50.40 1xg3 s ALA 233 Cb -0.01 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 1xg3 s ALA 233 CO -0.00 -0.75 0.10 -1.17 0.00 0.00 0.00 175.76 173.94 1xg3 s LEU 234 N 1.23 4.10 -0.59 0.00 2.96 0.45 -1.23 118.68 125.60 1xg3 s LEU 234 Ca -0.01 0.25 0.05 0.00 -0.22 0.00 0.00 54.13 54.21 1xg3 s LEU 234 Cb -0.16 -2.02 0.19 0.00 0.50 0.00 0.00 46.19 44.70 1xg3 s LEU 234 CO -0.08 0.27 0.51 -1.22 -1.32 0.00 0.00 176.35 174.50 1xg3 n TYR 235 N 2.93 1.92 -0.27 5.38 4.01 -0.56 -0.42 117.16 130.14 1xg3 n TYR 235 Ca -0.18 -3.95 0.04 0.00 -0.16 0.00 0.00 57.90 53.65 1xg3 n TYR 235 Cb 0.53 -0.36 0.18 0.00 -0.31 0.00 0.00 39.34 39.37 1xg3 n TYR 235 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1xg3 h PRO 236 N 5.05 0.59 0.00 -0.72 0.13 -1.84 -0.59 132.00 134.62 1xg3 h PRO 236 Ca 0.18 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1xg3 h PRO 236 Cb 0.79 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.78 1xg3 h PRO 236 CO 0.63 0.39 0.00 1.28 -0.23 0.00 0.00 178.00 180.07 1xg3 n LEU 237 N -4.87 0.89 -0.16 1.56 4.77 -1.26 -3.88 117.00 114.05 1xg3 n LEU 237 Ca 0.14 -0.89 -0.05 0.00 -0.03 0.00 0.00 56.01 55.18 1xg3 n LEU 237 Cb 0.35 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.45 1xg3 n LEU 237 CO 0.23 0.22 0.68 0.28 -1.33 0.00 0.00 177.39 177.47 1xg3 h SER 238 N 0.00 -0.86 -0.51 -1.43 0.02 -1.91 0.07 113.55 108.93 1xg3 h SER 238 Ca 0.00 0.19 -0.06 0.00 -0.84 0.00 0.00 61.79 61.08 1xg3 h SER 238 Cb 0.69 0.45 -0.02 0.00 0.14 0.00 0.00 62.40 63.66 1xg3 h SER 238 CO 0.00 -0.27 0.08 0.00 -1.14 0.00 0.00 176.83 175.51 1xg3 h ALA 239 N 1.14 0.68 -0.46 3.77 0.00 -1.86 -2.93 119.26 119.60 1xg3 h ALA 239 Ca 0.23 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1xg3 h ALA 239 Cb 0.49 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 1xg3 h ALA 239 CO -0.58 0.42 0.14 0.35 0.00 0.00 0.00 179.25 179.57 1xg3 h PHE 240 N 0.73 0.23 -0.94 0.00 3.57 -1.68 0.32 116.94 119.17 1xg3 h PHE 240 Ca 0.16 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.71 1xg3 h PHE 240 Cb 0.40 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 1xg3 h PHE 240 CO 0.03 0.06 0.62 0.00 -2.23 0.00 0.00 178.31 176.79 1xg3 h ARG 241 N 0.29 1.18 -0.17 1.11 3.08 -0.86 -0.62 114.38 118.40 1xg3 h ARG 241 Ca 0.22 -0.07 -0.18 0.00 0.07 0.00 0.00 59.98 60.02 1xg3 h ARG 241 Cb 0.25 -0.27 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 1xg3 h ARG 241 CO -0.25 0.78 -0.63 0.00 -1.07 0.00 0.00 179.97 178.80 1xg3 h ALA 242 N 1.37 0.56 -0.58 0.04 0.00 -1.20 -2.88 119.26 116.57 1xg3 h ALA 242 Ca 0.36 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1xg3 h ALA 242 Cb -0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1xg3 h ALA 242 CO -0.10 0.70 0.18 0.00 0.00 0.00 0.00 179.25 180.03 1xg3 h MET 243 N 0.46 0.87 -0.44 0.00 -0.00 -0.44 -1.85 114.93 113.53 1xg3 h MET 243 Ca -0.01 -0.16 -0.07 0.00 -0.00 0.00 0.00 59.70 59.46 1xg3 h MET 243 Cb 1.21 -0.14 -0.02 0.00 -0.00 0.00 0.00 31.60 32.66 1xg3 h MET 243 CO 0.12 0.75 -0.01 -0.91 -0.00 0.00 0.00 176.91 176.87 1xg3 h ASN 244 N 0.84 0.76 -0.65 -0.10 2.35 -1.04 -0.41 115.58 117.34 1xg3 h ASN 244 Ca 0.19 -0.31 -0.05 0.00 -0.55 0.00 0.00 56.30 55.58 1xg3 h ASN 244 Cb 0.25 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 1xg3 h ASN 244 CO -0.01 0.89 0.22 -0.09 -1.65 0.00 0.00 177.43 176.79 1xg3 h ARG 245 N 0.61 1.00 -0.55 0.81 9.65 -1.29 -0.75 114.38 123.86 1xg3 h ARG 245 Ca 0.12 -0.20 -0.05 0.00 -1.10 0.00 0.00 59.98 58.75 1xg3 h ARG 245 Cb 0.50 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 28.91 1xg3 h ARG 245 CO 0.02 0.86 0.15 0.00 2.80 0.00 0.00 179.97 183.81 1xg3 h ALA 246 N 1.09 0.72 -0.47 2.80 0.00 -1.15 -1.21 119.26 121.04 1xg3 h ALA 246 Ca 0.21 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1xg3 h ALA 246 Cb 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1xg3 h ALA 246 CO -0.01 0.40 0.09 0.00 0.00 0.00 0.00 179.25 179.74 1xg3 h ALA 247 N 1.02 0.62 -0.91 0.00 0.00 -0.85 -2.30 119.26 116.85 1xg3 h ALA 247 Ca 0.17 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xg3 h ALA 247 Cb 0.31 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1xg3 h ALA 247 CO -0.00 0.33 0.56 1.49 0.00 0.00 0.00 179.25 181.62 1xg3 h GLU 248 N 0.63 1.23 -0.61 0.00 4.81 -0.97 -0.76 114.58 118.91 1xg3 h GLU 248 Ca 0.14 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1xg3 h GLU 248 Cb 0.36 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1xg3 h GLU 248 CO 0.01 0.85 0.26 1.25 -0.73 0.00 0.00 179.01 180.65 1xg3 h HIS 249 N 1.25 0.92 -0.40 0.92 2.76 -1.00 -0.86 115.15 118.74 1xg3 h HIS 249 Ca 0.33 -0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 58.41 1xg3 h HIS 249 Cb -0.06 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 28.60 1xg3 h HIS 249 CO 0.00 0.73 0.16 0.28 -1.30 0.00 0.00 177.93 177.80 1xg3 h VAL 250 N 0.85 1.20 -0.42 5.26 2.07 -0.92 -1.23 116.25 123.06 1xg3 h VAL 250 Ca 0.21 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1xg3 h VAL 250 Cb 0.18 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1xg3 h VAL 250 CO -0.02 0.22 0.27 1.88 0.02 0.00 0.00 177.57 179.95 1xg3 h TYR 251 N 0.51 0.53 -0.29 1.57 0.05 -0.85 -1.62 116.97 116.86 1xg3 h TYR 251 Ca 0.13 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.90 1xg3 h TYR 251 Cb 0.19 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 1xg3 h TYR 251 CO -0.00 0.34 0.08 -0.91 -1.05 0.00 0.00 178.16 176.62 1xg3 h ASN 252 N 0.56 0.43 -0.58 3.88 2.35 -1.01 -2.16 115.58 119.07 1xg3 h ASN 252 Ca 0.15 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.65 1xg3 h ASN 252 Cb -0.06 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 1xg3 h ASN 252 CO -0.03 0.54 0.25 0.58 -1.65 0.00 0.00 177.43 177.11 1xg3 h VAL 253 N 0.30 1.22 -0.56 2.81 2.07 -1.14 -0.78 116.25 120.17 1xg3 h VAL 253 Ca 0.09 -0.66 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 1xg3 h VAL 253 Cb 0.27 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1xg3 h VAL 253 CO -0.00 0.26 0.18 -0.07 0.02 0.00 0.00 177.57 177.96 1xg3 h LEU 254 N 0.79 0.78 -0.20 2.57 3.38 -1.24 0.26 115.31 121.64 1xg3 h LEU 254 Ca 0.19 -0.12 -0.22 0.00 0.09 0.00 0.00 57.88 57.83 1xg3 h LEU 254 Cb 0.17 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.73 1xg3 h LEU 254 CO -0.02 0.73 -0.80 -0.09 0.09 0.00 0.00 178.44 178.35 1xg3 h ARG 255 N 0.82 0.68 -0.00 1.13 9.65 -1.11 -0.80 114.38 124.75 1xg3 h ARG 255 Ca 0.19 -0.58 -0.11 0.00 -1.10 0.00 0.00 59.98 58.38 1xg3 h ARG 255 Cb 0.23 0.13 0.01 0.00 -1.39 0.00 0.00 29.97 28.95 1xg3 h ARG 255 CO -0.01 1.19 -0.43 1.96 2.80 0.00 0.00 179.97 185.48 1xg3 h GLN 256 N 0.45 0.29 0.00 0.20 4.20 -0.93 -3.37 115.11 115.96 1xg3 h GLN 256 Ca -0.06 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.34 1xg3 h GLN 256 Cb 1.42 0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.29 1xg3 h GLN 256 CO 0.16 1.01 -0.86 0.93 -0.67 0.00 0.00 178.83 179.40 1xg3 h GLU 257 N -0.30 0.00 -0.06 1.46 4.39 -0.60 -3.48 114.58 115.99 1xg3 h GLU 257 Ca -0.05 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1xg3 h GLU 257 Cb 1.16 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.80 1xg3 h GLU 257 CO 0.08 0.00 -0.02 0.41 -1.16 0.00 0.00 179.01 178.32 1xg3 n GLY 258 N 1.17 0.50 3.55 -3.84 0.00 -0.31 -4.97 105.19 101.28 1xg3 n GLY 258 Ca 0.01 -0.32 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 1xg3 n GLY 258 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xg3 s THR 259 N -1.94 0.00 -2.18 2.61 -1.32 -1.24 -5.05 115.64 106.52 1xg3 s THR 259 Ca 0.00 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.71 1xg3 s THR 259 Cb 0.00 -1.00 0.57 0.00 -1.51 0.00 0.00 72.50 70.56 1xg3 s THR 259 CO 0.00 0.00 1.50 0.00 -2.21 0.00 0.00 174.62 173.91 1xg3 n GLN 260 N 0.40 2.66 -0.29 7.08 0.00 -1.26 -4.28 117.38 121.69 1xg3 n GLN 260 Ca -0.10 -2.55 0.12 0.00 0.00 0.00 0.00 57.00 54.47 1xg3 n GLN 260 Cb 0.59 -1.56 0.28 0.00 0.00 0.00 0.00 30.24 29.55 1xg3 n GLN 260 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1xg3 h LYS 261 N 4.42 0.21 0.00 2.61 1.57 -1.97 -1.02 116.57 122.39 1xg3 h LYS 261 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1xg3 h LYS 261 Cb 1.00 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1xg3 h LYS 261 CO 0.00 0.14 0.00 -1.13 -0.57 0.00 0.00 179.45 177.89 1xg3 n SER 262 N -5.22 0.00 -0.11 0.86 3.41 -1.26 -3.02 113.62 108.28 1xg3 n SER 262 Ca 0.21 0.36 0.01 0.00 -0.26 0.00 0.00 58.87 59.19 1xg3 n SER 262 Cb 0.66 -0.44 0.03 0.00 -0.26 0.00 0.00 64.21 64.20 1xg3 n SER 262 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1xg3 n VAL 263 N -1.44 1.00 -0.31 -3.33 0.24 -0.41 -4.66 118.33 109.43 1xg3 n VAL 263 Ca 0.06 -1.00 0.05 0.00 -2.04 0.00 0.00 64.34 61.41 1xg3 n VAL 263 Cb 0.20 0.50 0.25 0.00 -1.47 0.00 0.00 33.84 33.32 1xg3 n VAL 263 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1xg3 h ILE 264 N 0.35 1.03 0.00 1.34 1.08 -1.42 -0.96 117.51 118.93 1xg3 h ILE 264 Ca 0.00 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.13 1xg3 h ILE 264 Cb 0.54 -0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.24 1xg3 h ILE 264 CO 0.00 0.18 0.00 -0.90 -0.69 0.00 0.00 178.15 176.74 1xg3 n ASP 265 N -4.51 0.00 -0.68 1.72 5.68 -1.26 -1.21 116.55 116.29 1xg3 n ASP 265 Ca 0.15 -0.06 0.11 0.00 -0.50 0.00 0.00 54.79 54.49 1xg3 n ASP 265 Cb 0.24 -0.19 0.04 0.00 -1.14 0.00 0.00 41.12 40.06 1xg3 n ASP 265 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1xg3 n THR 266 N -1.19 0.00 -3.59 2.12 -2.24 -0.36 -4.99 114.28 104.03 1xg3 n THR 266 Ca 0.07 -0.38 -0.37 0.00 -2.27 0.00 0.00 64.05 61.10 1xg3 n THR 266 Cb 0.08 1.35 -0.06 0.00 -2.10 0.00 0.00 70.33 69.61 1xg3 n THR 266 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1xg3 s MET 267 N -2.17 3.80 0.23 -0.78 -1.94 -0.35 -5.05 119.30 113.04 1xg3 s MET 267 Ca 0.22 0.26 -0.30 0.00 -1.71 0.00 0.00 55.69 54.16 1xg3 s MET 267 Cb 0.18 -3.17 -0.10 0.00 2.01 0.00 0.00 34.83 33.75 1xg3 s MET 267 CO 0.43 0.68 1.47 -1.14 -0.01 0.00 0.00 175.02 176.45 1xg3 s GLN 268 N -1.24 4.25 0.78 2.03 0.74 -1.26 -4.98 119.66 119.98 1xg3 s GLN 268 Ca 0.24 2.31 -0.12 0.00 0.05 0.00 0.00 55.36 57.85 1xg3 s GLN 268 Cb -0.15 -3.12 0.06 0.00 1.10 0.00 0.00 33.01 30.89 1xg3 s GLN 268 CO 0.13 -0.46 1.11 0.95 -0.55 0.00 0.00 175.29 176.46 1xg3 s THR 269 N 0.26 3.05 0.17 -0.34 -4.23 -1.26 -4.86 115.64 108.43 1xg3 s THR 269 Ca 0.62 0.34 -0.15 0.00 -1.18 0.00 0.00 61.69 61.32 1xg3 s THR 269 Cb -0.42 -3.18 0.05 0.00 1.34 0.00 0.00 72.50 70.28 1xg3 s THR 269 CO 0.41 -0.45 1.80 -0.09 -0.54 0.00 0.00 174.62 175.75 1xg3 h ARG 270 N -0.98 0.51 -0.90 3.99 2.43 -1.99 -1.21 114.38 116.22 1xg3 h ARG 270 Ca -0.47 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 1xg3 h ARG 270 Cb 1.27 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.66 1xg3 h ARG 270 CO 0.61 0.34 0.52 -0.97 -1.51 0.00 0.00 179.97 178.96 1xg3 h ASN 271 N 0.53 1.11 -0.72 -3.80 -0.73 -1.98 0.97 115.58 110.96 1xg3 h ASN 271 Ca 0.19 -0.08 -0.03 0.00 1.87 0.00 0.00 56.30 58.24 1xg3 h ASN 271 Cb 0.03 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 38.30 1xg3 h ASN 271 CO -0.09 0.87 0.32 -0.33 -0.37 0.00 0.00 177.43 177.84 1xg3 h GLU 272 N 1.26 1.05 -0.29 6.67 5.08 -1.77 0.37 114.58 126.94 1xg3 h GLU 272 Ca 0.32 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1xg3 h GLU 272 Cb -0.01 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1xg3 h GLU 272 CO -0.06 0.84 0.09 1.25 -1.00 0.00 0.00 179.01 180.14 1xg3 h LEU 273 N 1.01 0.43 -0.56 1.33 5.85 -0.71 -2.09 115.31 120.56 1xg3 h LEU 273 Ca 0.24 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1xg3 h LEU 273 Cb 0.15 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1xg3 h LEU 273 CO -0.03 0.51 0.32 1.88 -0.34 0.00 0.00 178.44 180.78 1xg3 h TYR 274 N 0.32 0.77 -0.26 1.25 0.05 -0.43 -2.01 116.97 116.65 1xg3 h TYR 274 Ca 0.10 -0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.80 1xg3 h TYR 274 Cb 0.24 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 1xg3 h TYR 274 CO 0.00 0.55 -0.10 0.93 -1.05 0.00 0.00 178.16 178.49 1xg3 h GLU 275 N 0.76 0.42 -0.24 4.88 5.08 -0.89 0.18 114.58 124.78 1xg3 h GLU 275 Ca 0.20 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 1xg3 h GLU 275 Cb 0.03 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1xg3 h GLU 275 CO -0.03 0.53 -0.18 1.03 -1.00 0.00 0.00 179.01 179.36 1xg3 h SER 276 N 0.39 0.40 -0.38 1.42 0.87 -0.68 -3.08 113.55 112.50 1xg3 h SER 276 Ca 0.08 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1xg3 h SER 276 Cb 0.43 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1xg3 h SER 276 CO 0.02 0.60 0.00 2.30 -0.53 0.00 0.00 176.83 179.23 1xg3 n ILE 277 N -4.18 1.80 -3.43 2.23 -5.35 -0.86 -4.84 119.36 104.72 1xg3 n ILE 277 Ca -0.00 -1.44 -0.25 0.00 -0.27 0.00 0.00 62.75 60.79 1xg3 n ILE 277 Cb 0.34 0.07 0.03 0.00 -1.74 0.00 0.00 39.64 38.34 1xg3 n ILE 277 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1xg3 n ASN 278 N 0.19 -5.20 -0.35 7.28 5.15 -0.71 -4.88 115.26 116.74 1xg3 n ASN 278 Ca 0.19 -0.48 0.06 0.00 -0.60 0.00 0.00 54.58 53.75 1xg3 n ASN 278 Cb 0.75 -4.19 0.24 0.00 -0.53 0.00 0.00 39.78 36.05 1xg3 n ASN 278 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1xg3 h TYR 279 N -1.66 1.13 -0.05 1.20 5.03 -1.29 -2.52 116.97 118.81 1xg3 h TYR 279 Ca -0.52 0.03 -0.07 0.00 2.58 0.00 0.00 58.73 60.75 1xg3 h TYR 279 Cb 1.35 -0.36 -0.01 0.00 1.55 0.00 0.00 36.73 39.26 1xg3 h TYR 279 CO 0.57 0.49 -0.29 1.88 -1.32 0.00 0.00 178.16 179.49 1xg3 h TYR 280 N 1.02 0.09 -0.63 -3.82 0.99 -1.90 -1.58 116.97 111.14 1xg3 h TYR 280 Ca 0.47 -0.02 -0.02 0.00 2.00 0.00 0.00 58.73 61.17 1xg3 h TYR 280 Cb 0.41 -0.02 -0.03 0.00 1.00 0.00 0.00 36.73 38.09 1xg3 h TYR 280 CO -0.00 0.37 0.32 0.37 -0.00 0.00 0.00 178.16 179.22 1xg3 h GLN 281 N 0.08 0.90 -0.05 4.88 4.15 -1.84 -1.76 115.11 121.47 1xg3 h GLN 281 Ca 0.01 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.27 1xg3 h GLN 281 Cb 0.56 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.08 1xg3 h GLN 281 CO 0.04 0.71 -0.12 1.88 -1.93 0.00 0.00 178.83 179.41 1xg3 h TYR 282 N 0.87 0.22 -0.89 3.99 -1.99 -1.50 -3.07 116.97 114.60 1xg3 h TYR 282 Ca 0.22 -0.08 0.01 0.00 2.00 0.00 0.00 58.73 60.88 1xg3 h TYR 282 Cb 0.09 -0.04 -0.04 0.00 2.00 0.00 0.00 36.73 38.73 1xg3 h TYR 282 CO -0.00 0.72 0.59 1.49 -0.00 0.00 0.00 178.16 180.96 1xg3 h GLU 283 N -0.35 1.16 -0.47 4.88 4.81 -1.27 -2.02 114.58 121.32 1xg3 h GLU 283 Ca -0.00 -0.07 0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1xg3 h GLU 283 Cb 0.72 -0.26 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 1xg3 h GLU 283 CO 0.03 0.77 0.26 1.49 -0.73 0.00 0.00 179.01 180.82 1xg3 h GLU 284 N 1.20 0.50 -0.94 1.92 4.81 -1.38 -0.07 114.58 120.62 1xg3 h GLU 284 Ca 0.33 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 1xg3 h GLU 284 Cb -0.12 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.10 1xg3 h GLU 284 CO -0.07 0.33 0.56 0.87 -0.73 0.00 0.00 179.01 179.97 1xg3 h LYS 285 N 0.52 1.29 -0.38 1.92 1.57 -1.29 -2.05 116.57 118.15 1xg3 h LYS 285 Ca 0.20 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1xg3 h LYS 285 Cb 0.06 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1xg3 h LYS 285 CO -0.11 0.90 0.00 -0.07 -0.57 0.00 0.00 179.45 179.60 1xg3 h LEU 286 N 1.31 0.65 0.00 2.94 3.38 -0.79 -2.87 115.31 119.92 1xg3 h LEU 286 Ca 0.34 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xg3 h LEU 286 Cb -0.05 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1xg3 h LEU 286 CO -0.06 0.79 0.00 0.47 0.09 0.00 0.00 178.44 179.73 1xg3 n ASP 287 N -4.48 0.00 -0.07 -0.43 8.00 -0.09 -5.12 116.55 114.36 1xg3 n ASP 287 Ca -0.01 0.43 0.01 0.00 0.71 0.00 0.00 54.79 55.92 1xg3 n ASP 287 Cb 0.28 -0.46 0.01 0.00 -0.02 0.00 0.00 41.12 40.92 1xg3 n ASP 287 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40