#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g05 n GLY -2 N 0.00 0.00 1.29 2.61 0.00 -1.26 -3.08 105.19 104.75 3g05 n GLY -2 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3g05 n GLY -2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3g05 n SER -1 N 0.00 1.15 -3.68 1.61 3.41 -1.26 -5.06 113.62 109.79 3g05 n SER -1 Ca 0.00 -2.43 -0.29 0.00 -0.26 0.00 0.00 58.87 55.90 3g05 n SER -1 Cb 0.00 -0.35 -0.16 0.00 -0.26 0.00 0.00 64.21 63.44 3g05 n SER -1 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3g05 s PHE 2 N -0.73 1.10 0.04 7.33 0.08 -1.18 -2.38 117.98 122.25 3g05 s PHE 2 Ca 0.35 -1.19 -0.28 0.00 0.12 0.00 0.00 56.93 55.92 3g05 s PHE 2 Cb 0.38 -1.26 -0.15 0.00 -0.57 0.00 0.00 43.02 41.43 3g05 s PHE 2 CO -0.15 -0.76 0.71 0.98 -0.10 0.00 0.00 175.22 175.90 3g05 n TYR 3 N 5.02 0.28 0.00 0.36 9.36 -0.66 -4.81 117.16 126.71 3g05 n TYR 3 Ca -0.05 0.79 0.00 0.00 3.32 0.00 0.00 57.90 61.96 3g05 n TYR 3 Cb 0.44 -1.57 0.00 0.00 -0.63 0.00 0.00 39.34 37.58 3g05 n TYR 3 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3g05 n PRO 4 N 1.05 0.00 -2.23 2.98 -0.04 -1.26 -4.62 135.00 130.88 3g05 n PRO 4 Ca 0.15 0.83 -0.41 0.00 -0.04 0.00 0.00 63.50 64.03 3g05 n PRO 4 Cb 0.09 -1.40 -0.03 0.00 -0.04 0.00 0.00 33.50 32.12 3g05 n PRO 4 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3g05 s ASP 5 N -2.87 6.91 0.54 3.54 1.01 -1.26 -5.02 116.67 119.53 3g05 s ASP 5 Ca 0.00 2.43 -0.13 0.00 0.71 0.00 0.00 52.55 55.56 3g05 s ASP 5 Cb 0.00 -2.62 -0.06 0.00 1.01 0.00 0.00 42.92 41.25 3g05 s ASP 5 CO 0.00 -0.49 0.97 -2.84 0.21 0.00 0.00 175.17 173.02 3g05 s PRO 6 N -0.48 3.78 0.35 8.23 0.02 -1.26 -4.75 135.00 140.89 3g05 s PRO 6 Ca 0.54 0.79 0.09 0.00 0.02 0.00 0.00 61.00 62.44 3g05 s PRO 6 Cb -0.36 -2.15 -0.05 0.00 0.02 0.00 0.00 34.50 31.96 3g05 s PRO 6 CO 0.41 -0.36 0.07 -0.06 -0.33 0.00 0.00 177.00 176.73 3g05 s PHE 7 N -2.81 2.61 -0.06 6.54 0.40 -0.21 -5.03 117.98 119.42 3g05 s PHE 7 Ca 0.56 -0.43 -0.11 0.00 -0.60 0.00 0.00 56.93 56.36 3g05 s PHE 7 Cb -0.10 -1.58 -0.07 0.00 0.51 0.00 0.00 43.02 41.78 3g05 s PHE 7 CO 0.40 0.41 0.44 -0.44 0.70 0.00 0.00 175.22 176.73 3g05 h ASP 8 N 1.68 -0.27 -3.31 1.36 3.32 -0.93 -2.86 116.42 115.41 3g05 h ASP 8 Ca -0.43 -0.04 -0.49 0.00 0.02 0.00 0.00 57.03 56.09 3g05 h ASP 8 Cb 1.25 0.07 -0.35 0.00 0.22 0.00 0.00 39.33 40.52 3g05 h ASP 8 CO 0.66 0.20 -0.80 -0.69 -1.72 0.00 0.00 179.24 176.90 3g05 s VAL 9 N -2.71 0.88 -0.29 -1.35 1.01 -0.99 0.12 120.40 117.07 3g05 s VAL 9 Ca -0.06 -0.26 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 3g05 s VAL 9 Cb 0.00 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 3g05 s VAL 9 CO 0.19 0.32 0.19 -0.63 0.00 0.00 0.00 175.10 175.17 3g05 s ILE 10 N 1.29 5.18 -0.26 2.22 1.01 -0.85 -0.90 121.20 128.90 3g05 s ILE 10 Ca -0.04 0.04 -0.18 0.00 0.00 0.00 0.00 60.65 60.47 3g05 s ILE 10 Cb -0.14 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 3g05 s ILE 10 CO -0.03 0.20 0.52 -0.63 0.00 0.00 0.00 174.94 175.00 3g05 s ILE 11 N 1.73 5.07 -0.52 2.92 -1.09 0.65 -0.16 121.20 129.80 3g05 s ILE 11 Ca 0.07 0.89 -0.20 0.00 -2.23 0.00 0.00 60.65 59.17 3g05 s ILE 11 Cb -0.16 -3.83 0.05 0.00 -1.58 0.00 0.00 42.46 36.94 3g05 s ILE 11 CO 0.10 0.09 0.70 -0.63 -1.23 0.00 0.00 174.94 173.97 3g05 s ILE 12 N 2.28 4.76 0.00 2.92 -1.09 -0.01 -2.14 121.20 127.91 3g05 s ILE 12 Ca 0.21 -0.31 0.00 0.00 -2.23 0.00 0.00 60.65 58.32 3g05 s ILE 12 Cb -0.16 -4.36 0.00 0.00 -1.58 0.00 0.00 42.46 36.37 3g05 s ILE 12 CO 0.09 -0.88 0.00 0.61 -1.23 0.00 0.00 174.94 173.53 3g05 n GLY 13 N 5.16 0.78 2.51 6.18 0.00 0.05 -2.05 105.19 117.82 3g05 n GLY 13 Ca -0.05 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.52 3g05 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g05 n GLY 14 N 2.77 5.05 0.00 -0.02 0.00 -1.25 -4.34 105.19 107.41 3g05 n GLY 14 Ca 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.96 3g05 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g05 n GLY 15 N 1.27 -1.18 0.00 -0.02 0.00 -1.26 -4.56 105.19 99.44 3g05 n GLY 15 Ca 0.57 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3g05 n GLY 15 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3g05 n HIS 16 N -0.15 0.00 -0.06 1.61 8.25 -1.26 -3.51 115.22 120.10 3g05 n HIS 16 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 3g05 n HIS 16 Cb 0.00 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.07 3g05 n HIS 16 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3g05 n ALA 17 N -1.53 -0.09 -0.29 -1.41 0.00 -1.19 -0.41 120.51 115.58 3g05 n ALA 17 Ca 0.00 0.13 -0.10 0.00 0.00 0.00 0.00 53.44 53.46 3g05 n ALA 17 Cb 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 19.45 19.37 3g05 n ALA 17 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3g05 h GLY 18 N 0.00 -0.73 -0.02 0.00 0.00 -1.76 -1.80 103.07 98.77 3g05 h GLY 18 Ca 0.02 0.70 0.01 0.00 0.00 0.00 0.00 47.33 48.06 3g05 h GLY 18 CO -0.14 -0.07 -0.13 -0.84 0.00 0.00 0.00 176.54 175.37 3g05 h THR 19 N -0.17 0.00 -0.55 4.70 2.02 -1.11 -3.00 112.91 114.81 3g05 h THR 19 Ca 0.16 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.50 3g05 h THR 19 Cb 0.52 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 3g05 h THR 19 CO -0.79 0.00 0.42 -0.33 0.37 0.00 0.00 175.52 175.19 3g05 h GLU 20 N -0.14 0.00 0.39 6.66 4.39 -0.10 0.16 114.58 125.95 3g05 h GLU 20 Ca 0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 3g05 h GLU 20 Cb 0.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 3g05 h GLU 20 CO -0.10 0.00 -0.19 0.00 -1.16 0.00 0.00 179.01 177.57 3g05 h ALA 21 N 1.67 -0.67 -0.78 3.43 0.00 -1.30 -2.38 119.26 119.22 3g05 h ALA 21 Ca 0.26 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.16 3g05 h ALA 21 Cb 1.11 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 18.97 3g05 h ALA 21 CO -0.00 -0.63 -0.46 0.00 0.00 0.00 0.00 179.25 178.15 3g05 h ALA 22 N -1.42 -0.25 -0.75 0.00 0.00 -0.63 -0.42 119.26 115.79 3g05 h ALA 22 Ca -0.05 0.16 0.17 0.00 0.00 0.00 0.00 54.91 55.18 3g05 h ALA 22 Cb 0.40 1.07 -0.12 0.00 0.00 0.00 0.00 17.79 19.14 3g05 h ALA 22 CO 0.09 -0.81 0.07 0.52 0.00 0.00 0.00 179.25 179.12 3g05 h MET 23 N -0.12 0.15 0.00 0.00 2.07 -1.13 -1.44 114.93 114.46 3g05 h MET 23 Ca 0.22 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.84 3g05 h MET 23 Cb 0.54 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 30.24 3g05 h MET 23 CO -0.83 0.10 0.00 0.00 1.07 0.00 0.00 176.91 177.25 3g05 n ALA 24 N -2.83 0.00 -0.26 6.32 0.00 -0.30 -2.36 120.51 121.08 3g05 n ALA 24 Ca 0.14 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.72 3g05 n ALA 24 Cb 0.48 0.02 0.27 0.00 0.00 0.00 0.00 19.45 20.23 3g05 n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g05 n ALA 25 N -0.88 0.48 0.46 0.00 0.00 -0.43 -0.69 120.51 119.44 3g05 n ALA 25 Ca 0.00 0.81 -0.19 0.00 0.00 0.00 0.00 53.44 54.06 3g05 n ALA 25 Cb 0.00 -0.64 -0.09 0.00 0.00 0.00 0.00 19.45 18.72 3g05 n ALA 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g05 h ALA 26 N 1.53 -1.14 0.00 0.00 0.00 -1.33 -0.74 119.26 117.57 3g05 h ALA 26 Ca 0.50 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3g05 h ALA 26 Cb 1.12 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3g05 h ALA 26 CO -0.69 -1.13 0.00 2.89 0.00 0.00 0.00 179.25 180.32 3g05 n ARG 27 N -5.58 0.15 -1.15 0.00 1.85 0.13 0.01 116.66 112.07 3g05 n ARG 27 Ca -0.15 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.51 3g05 n ARG 27 Cb 0.46 -1.15 0.16 0.00 -1.05 0.00 0.00 32.46 30.87 3g05 n ARG 27 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 3g05 n MET 28 N -0.65 2.27 -2.49 2.89 2.81 -0.97 -4.78 117.12 116.19 3g05 n MET 28 Ca 0.01 -3.22 -0.03 0.00 -1.81 0.00 0.00 57.70 52.65 3g05 n MET 28 Cb 0.00 -2.07 -0.00 0.00 -0.71 0.00 0.00 33.22 30.44 3g05 n MET 28 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3g05 n GLY 29 N -1.07 -0.50 3.85 3.03 0.00 0.10 -4.97 105.19 105.64 3g05 n GLY 29 Ca 0.49 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.15 3g05 n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3g05 s GLN 30 N -5.01 3.86 -0.67 1.61 -1.52 -0.32 -4.99 119.66 112.63 3g05 s GLN 30 Ca 0.00 0.32 -0.27 0.00 -1.95 0.00 0.00 55.36 53.46 3g05 s GLN 30 Cb -0.00 -3.06 0.01 0.00 -0.22 0.00 0.00 33.01 29.75 3g05 s GLN 30 CO 0.00 0.59 1.44 -0.65 -0.25 0.00 0.00 175.29 176.42 3g05 s GLN 31 N -1.65 3.09 -0.19 2.91 -1.52 -1.26 -3.99 119.66 117.05 3g05 s GLN 31 Ca 0.31 0.12 -0.01 0.00 -1.95 0.00 0.00 55.36 53.83 3g05 s GLN 31 Cb -0.15 -4.21 0.00 0.00 -0.22 0.00 0.00 33.01 28.43 3g05 s GLN 31 CO 0.17 -2.23 -0.13 0.99 -0.25 0.00 0.00 175.29 173.84 3g05 s THR 32 N 6.58 2.72 -0.36 -0.19 2.01 -0.68 -0.26 115.64 125.46 3g05 s THR 32 Ca 0.46 -0.72 -0.14 0.00 0.31 0.00 0.00 61.69 61.60 3g05 s THR 32 Cb -0.10 -2.19 -0.01 0.00 0.01 0.00 0.00 72.50 70.22 3g05 s THR 32 CO 0.19 0.49 0.30 -0.22 -0.69 0.00 0.00 174.62 174.69 3g05 s LEU 33 N 1.27 4.60 -0.73 4.42 2.96 -0.08 -0.50 118.68 130.63 3g05 s LEU 33 Ca 0.03 -0.44 -0.15 0.00 -0.22 0.00 0.00 54.13 53.35 3g05 s LEU 33 Cb -0.14 -2.23 0.17 0.00 0.50 0.00 0.00 46.19 44.50 3g05 s LEU 33 CO -0.07 -0.32 0.72 -0.22 -1.32 0.00 0.00 176.35 175.14 3g05 s LEU 34 N 1.84 6.31 0.18 -0.68 2.96 0.27 -0.25 118.68 129.31 3g05 s LEU 34 Ca 0.08 -2.26 -0.30 0.00 -0.22 0.00 0.00 54.13 51.44 3g05 s LEU 34 Cb -0.17 -2.24 -0.08 0.00 0.50 0.00 0.00 46.19 44.20 3g05 s LEU 34 CO 0.11 -0.75 1.09 -0.76 -1.32 0.00 0.00 176.35 174.72 3g05 s LEU 35 N 1.04 4.50 -0.16 -0.68 1.43 -0.91 -1.51 118.68 122.39 3g05 s LEU 35 Ca 0.14 2.09 -0.28 0.00 -1.03 0.00 0.00 54.13 55.05 3g05 s LEU 35 Cb -0.17 -3.60 0.08 0.00 0.03 0.00 0.00 46.19 42.52 3g05 s LEU 35 CO -0.04 -0.21 0.73 0.28 0.23 0.00 0.00 176.35 177.34 3g05 s THR 36 N -0.30 0.00 -0.49 5.49 -1.32 -1.10 -0.77 115.64 117.16 3g05 s THR 36 Ca 0.49 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 61.20 3g05 s THR 36 Cb -0.29 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.02 3g05 s THR 36 CO 0.35 0.00 1.62 1.12 -2.21 0.00 0.00 174.62 175.50 3g05 h HIS 37 N 3.89 0.00 -1.41 9.09 2.07 -1.84 0.32 115.15 127.27 3g05 h HIS 37 Ca -0.27 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.03 3g05 h HIS 37 Cb 1.15 0.00 -0.24 0.00 2.57 0.00 0.00 27.41 30.89 3g05 h HIS 37 CO 0.38 0.00 -0.57 1.21 -3.07 0.00 0.00 177.93 175.88 3g05 s ASN 38 N -5.86 -0.40 0.49 3.10 3.04 -1.26 -4.78 114.94 109.27 3g05 s ASN 38 Ca 0.07 -1.34 0.44 0.00 0.04 0.00 0.00 52.86 52.08 3g05 s ASN 38 Cb 0.07 1.32 1.52 0.00 -1.54 0.00 0.00 41.25 42.62 3g05 s ASN 38 CO 0.66 -0.18 1.36 -0.38 -3.04 0.00 0.00 177.10 175.52 3g05 n ILE 39 N 4.05 -0.00 1.69 -5.21 -0.00 -1.26 0.26 119.36 118.89 3g05 n ILE 39 Ca 0.13 1.30 0.15 0.00 -0.00 0.00 0.00 62.75 64.34 3g05 n ILE 39 Cb 0.52 -2.17 0.75 0.00 -0.00 0.00 0.00 39.64 38.74 3g05 n ILE 39 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 3g05 n ASP 40 N -3.68 0.47 0.02 4.38 9.92 -1.26 -2.69 116.55 123.71 3g05 n ASP 40 Ca 0.39 -0.95 0.11 0.00 -0.53 0.00 0.00 54.79 53.81 3g05 n ASP 40 Cb 1.77 -0.04 0.01 0.00 -0.64 0.00 0.00 41.12 42.23 3g05 n ASP 40 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3g05 n THR 41 N -0.74 0.15 -1.65 -3.53 -2.24 0.14 -4.94 114.28 101.48 3g05 n THR 41 Ca 0.20 -0.23 -0.56 0.00 -2.27 0.00 0.00 64.05 61.19 3g05 n THR 41 Cb 0.22 0.26 -0.07 0.00 -2.10 0.00 0.00 70.33 68.63 3g05 n THR 41 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3g05 n LEU 42 N -1.92 2.31 0.00 3.22 4.77 -1.09 0.07 117.00 124.35 3g05 n LEU 42 Ca 0.02 0.95 0.00 0.00 -0.03 0.00 0.00 56.01 56.95 3g05 n LEU 42 Cb 0.43 -1.16 0.00 0.00 -2.33 0.00 0.00 43.42 40.36 3g05 n LEU 42 CO 0.40 -0.47 0.00 0.61 -1.33 0.00 0.00 177.39 176.60 3g05 n GLY 43 N 4.76 1.02 3.70 -0.72 0.00 -1.26 -4.40 105.19 108.30 3g05 n GLY 43 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 3g05 n GLY 43 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3g05 s GLN 44 N -0.37 4.14 -0.34 1.61 2.00 0.11 -4.24 119.66 122.56 3g05 s GLN 44 Ca 0.00 2.59 -0.06 0.00 -2.00 0.00 0.00 55.36 55.89 3g05 s GLN 44 Cb 0.00 -3.51 0.04 0.00 0.80 0.00 0.00 33.01 30.34 3g05 s GLN 44 CO 0.00 -0.82 0.10 -1.64 -0.50 0.00 0.00 175.29 172.43 3g05 s MET 45 N 2.47 2.62 0.06 1.67 -1.94 -1.26 -4.97 119.30 117.95 3g05 s MET 45 Ca 0.80 -1.18 0.24 0.00 -1.71 0.00 0.00 55.69 53.83 3g05 s MET 45 Cb -0.46 -3.46 0.20 0.00 2.01 0.00 0.00 34.83 33.12 3g05 s MET 45 CO 0.36 -0.66 1.17 -1.13 -0.01 0.00 0.00 175.02 174.74 3g05 n SER 46 N 4.81 0.63 0.00 3.03 3.41 -1.26 -4.80 113.62 119.44 3g05 n SER 46 Ca -0.12 -0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 3g05 n SER 46 Cb 0.45 0.53 0.00 0.00 -0.26 0.00 0.00 64.21 64.93 3g05 n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g05 s ASN 48 N -1.00 4.16 -1.15 0.00 4.22 -1.26 -4.95 114.94 114.96 3g05 s ASN 48 Ca 0.00 0.18 -0.06 0.00 -2.14 0.00 0.00 52.86 50.85 3g05 s ASN 48 Cb 0.00 -0.57 0.26 0.00 1.28 0.00 0.00 41.25 42.22 3g05 s ASN 48 CO 0.00 -2.02 1.68 -0.81 -2.04 0.00 0.00 177.10 173.90 3g05 n PRO 49 N -3.16 4.30 -3.82 3.55 -0.04 -1.26 -4.91 135.00 129.65 3g05 n PRO 49 Ca 0.12 -4.20 -0.12 0.00 -0.04 0.00 0.00 63.50 59.27 3g05 n PRO 49 Cb 0.60 -2.64 -0.09 0.00 -0.04 0.00 0.00 33.50 31.33 3g05 n PRO 49 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3g05 s ALA 50 N -1.86 -0.51 -0.01 0.55 0.00 -1.26 0.72 121.76 119.38 3g05 s ALA 50 Ca 0.35 0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.36 3g05 s ALA 50 Cb 0.08 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 3g05 s ALA 50 CO 0.05 -0.26 -0.11 0.42 0.00 0.00 0.00 175.76 175.86 3g05 s ILE 51 N -1.58 0.91 0.00 0.00 1.01 0.35 -4.87 121.20 117.01 3g05 s ILE 51 Ca -0.13 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.04 3g05 s ILE 51 Cb -0.06 -0.77 0.00 0.00 0.01 0.00 0.00 42.46 41.65 3g05 s ILE 51 CO 0.02 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.83 3g05 n GLY 52 N 2.88 2.69 0.00 6.18 0.00 -1.26 -0.99 105.19 114.68 3g05 n GLY 52 Ca -0.15 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3g05 n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g05 n GLY 53 N 0.00 -1.31 2.52 -0.02 0.00 -0.26 -4.41 105.19 101.71 3g05 n GLY 53 Ca 0.00 -1.57 -0.44 0.00 0.00 0.00 0.00 46.02 44.01 3g05 n GLY 53 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3g05 n ILE 54 N -1.30 0.00 0.00 -0.61 3.06 -1.26 0.36 119.36 119.61 3g05 n ILE 54 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 3g05 n ILE 54 Cb 0.00 -0.19 0.00 0.00 0.54 0.00 0.00 39.64 39.99 3g05 n ILE 54 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3g05 n GLY 55 N 1.99 0.61 0.17 4.50 0.00 -1.26 -4.30 105.19 106.90 3g05 n GLY 55 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 3g05 n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g05 h LYS 56 N 0.00 -0.32 0.00 1.61 1.57 -1.35 0.72 116.57 118.80 3g05 h LYS 56 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3g05 h LYS 56 Cb 0.00 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3g05 h LYS 56 CO 0.00 -0.21 0.00 0.41 -0.57 0.00 0.00 179.45 179.08 3g05 n GLY 57 N -1.24 -3.12 0.31 3.86 0.00 1.14 -1.08 105.19 105.05 3g05 n GLY 57 Ca -0.09 0.57 -0.01 0.00 0.00 0.00 0.00 46.02 46.49 3g05 n GLY 57 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3g05 n HIS 58 N -2.95 0.01 0.18 1.61 8.25 -1.12 0.18 115.22 121.39 3g05 n HIS 58 Ca 0.00 1.00 0.05 0.00 -0.26 0.00 0.00 57.72 58.51 3g05 n HIS 58 Cb 0.00 -0.80 0.49 0.00 1.12 0.00 0.00 29.99 30.81 3g05 n HIS 58 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3g05 h LEU 59 N 0.00 0.11 0.14 2.41 5.85 0.13 -2.32 115.31 121.64 3g05 h LEU 59 Ca 0.28 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 3g05 h LEU 59 Cb 0.48 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.48 3g05 h LEU 59 CO -0.80 0.21 -0.07 0.58 -0.34 0.00 0.00 178.44 178.02 3g05 h VAL 60 N 0.12 1.01 -0.01 1.05 2.07 0.35 -2.27 116.25 118.57 3g05 h VAL 60 Ca 0.03 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.54 3g05 h VAL 60 Cb 0.22 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3g05 h VAL 60 CO 0.01 0.22 0.01 0.11 0.02 0.00 0.00 177.57 177.95 3g05 h LYS 61 N -0.71 0.00 -0.00 1.57 1.79 -1.17 0.84 116.57 118.89 3g05 h LYS 61 Ca -0.02 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.36 3g05 h LYS 61 Cb 0.51 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.17 3g05 h LYS 61 CO 0.03 0.00 -0.33 0.93 -1.08 0.00 0.00 179.45 179.00 3g05 h GLU 62 N 0.00 0.23 -0.61 3.15 5.08 -1.36 -1.92 114.58 119.15 3g05 h GLU 62 Ca 0.00 -0.24 0.13 0.00 -1.00 0.00 0.00 59.36 58.25 3g05 h GLU 62 Cb 0.03 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 3g05 h GLU 62 CO -0.00 0.96 0.42 0.28 -1.00 0.00 0.00 179.01 179.67 3g05 h VAL 63 N -0.40 0.81 0.68 3.13 2.07 0.10 0.12 116.25 122.77 3g05 h VAL 63 Ca -0.04 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 3g05 h VAL 63 Cb 1.07 0.52 0.01 0.00 -1.52 0.00 0.00 31.29 31.37 3g05 h VAL 63 CO 0.07 0.05 -0.33 -0.78 0.02 0.00 0.00 177.57 176.60 3g05 h ASP 64 N 0.27 -0.78 -0.94 0.57 3.58 0.05 -0.09 116.42 119.09 3g05 h ASP 64 Ca 0.29 0.03 0.16 0.00 0.42 0.00 0.00 57.03 57.93 3g05 h ASP 64 Cb 0.78 0.20 -0.10 0.00 1.72 0.00 0.00 39.33 41.93 3g05 h ASP 64 CO -0.07 -0.46 0.54 0.00 -2.88 0.00 0.00 179.24 176.37 3g05 h ALA 65 N -1.39 1.48 0.00 -0.78 0.00 -0.37 2.53 119.26 120.73 3g05 h ALA 65 Ca -0.09 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3g05 h ALA 65 Cb 0.70 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3g05 h ALA 65 CO 0.15 -0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.66 3g05 n LEU 66 N -4.79 0.02 0.00 0.00 4.77 0.28 -3.93 117.00 113.35 3g05 n LEU 66 Ca 0.20 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.69 3g05 n LEU 66 Cb 0.48 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3g05 n LEU 66 CO 0.22 -0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 3g05 n GLY 67 N -0.06 0.60 1.13 -0.72 0.00 0.85 -4.44 105.19 102.55 3g05 n GLY 67 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 3g05 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g05 n GLY 68 N -1.91 -2.87 0.10 -0.02 0.00 -0.10 -4.97 105.19 95.42 3g05 n GLY 68 Ca 0.00 -1.41 -0.19 0.00 0.00 0.00 0.00 46.02 44.42 3g05 n GLY 68 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3g05 h LEU 69 N 0.00 0.00 -1.08 0.99 6.46 -1.92 -3.41 115.31 116.36 3g05 h LEU 69 Ca -0.13 -0.46 0.39 0.00 -0.12 0.00 0.00 57.88 57.55 3g05 h LEU 69 Cb 0.42 0.00 -0.12 0.00 -0.73 0.00 0.00 40.66 40.23 3g05 h LEU 69 CO 0.09 1.38 0.67 0.80 -0.62 0.00 0.00 178.44 180.76 3g05 n MET 70 N -4.46 -0.03 0.01 1.25 1.56 -1.26 -0.26 117.12 113.92 3g05 n MET 70 Ca -0.28 1.06 -0.12 0.00 -0.27 0.00 0.00 57.70 58.09 3g05 n MET 70 Cb 0.62 -2.05 -0.10 0.00 2.15 0.00 0.00 33.22 33.84 3g05 n MET 70 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3g05 h ALA 71 N 1.39 -0.09 0.76 -5.12 0.00 -1.87 -0.93 119.26 113.41 3g05 h ALA 71 Ca 0.73 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.33 3g05 h ALA 71 Cb 2.25 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 20.08 3g05 h ALA 71 CO -0.44 -0.24 -0.44 0.87 0.00 0.00 0.00 179.25 178.99 3g05 h LYS 72 N -0.71 -1.08 -0.34 0.00 1.57 -0.89 -2.67 116.57 112.45 3g05 h LYS 72 Ca -0.01 0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 3g05 h LYS 72 Cb 0.58 0.25 -0.04 0.00 0.08 0.00 0.00 32.23 33.10 3g05 h LYS 72 CO 0.01 -0.72 -0.20 0.00 -0.57 0.00 0.00 179.45 177.97 3g05 h ALA 73 N -1.30 -0.19 -0.84 3.86 0.00 -0.70 0.74 119.26 120.84 3g05 h ALA 73 Ca -0.10 0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.07 3g05 h ALA 73 Cb 0.89 1.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.76 3g05 h ALA 73 CO 0.12 -0.33 0.58 0.97 0.00 0.00 0.00 179.25 180.59 3g05 h ILE 74 N -0.00 0.63 -0.73 0.00 6.09 -1.06 0.60 117.51 123.05 3g05 h ILE 74 Ca 0.05 -0.05 0.02 0.00 -1.37 0.00 0.00 64.86 63.52 3g05 h ILE 74 Cb 0.14 0.47 -0.04 0.00 0.47 0.00 0.00 36.82 37.86 3g05 h ILE 74 CO -0.32 0.03 0.46 0.44 -3.07 0.00 0.00 178.15 175.69 3g05 h ASP 75 N 0.15 0.77 0.81 2.19 3.32 -0.52 0.10 116.42 123.24 3g05 h ASP 75 Ca 0.41 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.38 3g05 h ASP 75 Cb 1.39 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 3g05 h ASP 75 CO -0.07 0.54 -0.38 1.56 -1.72 0.00 0.00 179.24 179.17 3g05 h GLN 76 N 0.92 0.00 0.00 3.56 1.08 0.87 -3.30 115.11 118.24 3g05 h GLN 76 Ca 0.29 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.44 3g05 h GLN 76 Cb -0.02 0.00 -0.10 0.00 -0.05 0.00 0.00 27.48 27.32 3g05 h GLN 76 CO -0.10 0.38 -0.62 0.00 -0.95 0.00 0.00 178.83 177.54 3g05 n ALA 77 N -2.31 3.27 -2.63 3.87 0.00 -0.57 -4.27 120.51 117.88 3g05 n ALA 77 Ca -0.00 -3.02 -0.37 0.00 0.00 0.00 0.00 53.44 50.05 3g05 n ALA 77 Cb 0.50 -0.45 -0.10 0.00 0.00 0.00 0.00 19.45 19.40 3g05 n ALA 77 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3g05 s GLY 78 N -2.89 1.96 0.00 0.00 0.00 0.33 -1.85 107.32 104.87 3g05 s GLY 78 Ca 0.36 -0.97 0.24 0.00 0.00 0.00 0.00 44.72 44.35 3g05 s GLY 78 CO -0.09 0.51 1.27 0.29 0.00 0.00 0.00 173.10 175.08 3g05 n ILE 79 N 4.62 0.00 -3.64 0.90 -5.35 0.52 -4.00 119.36 112.42 3g05 n ILE 79 Ca -0.14 -0.49 -0.06 0.00 -0.27 0.00 0.00 62.75 61.79 3g05 n ILE 79 Cb 0.52 1.48 -0.07 0.00 -1.74 0.00 0.00 39.64 39.83 3g05 n ILE 79 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 3g05 s GLN 80 N -2.01 0.65 -0.11 6.28 0.74 -1.23 -2.26 119.66 121.72 3g05 s GLN 80 Ca 0.28 1.16 0.03 0.00 0.05 0.00 0.00 55.36 56.88 3g05 s GLN 80 Cb 0.20 0.20 0.01 0.00 1.10 0.00 0.00 33.01 34.52 3g05 s GLN 80 CO 0.30 -0.14 -0.21 -0.06 -0.55 0.00 0.00 175.29 174.63 3g05 s PHE 81 N 1.72 2.38 0.11 1.67 0.40 -1.26 -1.65 117.98 121.35 3g05 s PHE 81 Ca -0.09 -1.05 0.04 0.00 -0.60 0.00 0.00 56.93 55.23 3g05 s PHE 81 Cb -0.05 -1.62 -0.04 0.00 0.51 0.00 0.00 43.02 41.82 3g05 s PHE 81 CO -0.19 -0.46 -0.11 1.03 0.70 0.00 0.00 175.22 176.19 3g05 s ARG 82 N 0.58 0.92 -0.38 0.44 0.52 -0.33 -1.17 118.95 119.53 3g05 s ARG 82 Ca -0.14 -1.23 -0.01 0.00 -0.52 0.00 0.00 55.73 53.83 3g05 s ARG 82 Cb -0.17 -0.62 0.11 0.00 0.52 0.00 0.00 34.95 34.78 3g05 s ARG 82 CO 0.04 0.10 0.15 0.42 0.02 0.00 0.00 175.30 176.03 3g05 s ILE 83 N -2.55 2.96 0.44 1.52 -1.09 -1.26 -1.01 121.20 120.22 3g05 s ILE 83 Ca 0.08 -2.13 -0.23 0.00 -2.23 0.00 0.00 60.65 56.14 3g05 s ILE 83 Cb -0.02 -3.06 -0.08 0.00 -1.58 0.00 0.00 42.46 37.72 3g05 s ILE 83 CO 0.01 -0.64 1.12 -0.76 -1.23 0.00 0.00 174.94 173.44 3g05 s LEU 84 N 1.07 4.04 -0.71 2.97 1.43 0.47 -3.83 118.68 124.13 3g05 s LEU 84 Ca 0.09 2.21 -0.02 0.00 -1.03 0.00 0.00 54.13 55.37 3g05 s LEU 84 Cb -0.22 -4.24 -0.02 0.00 0.03 0.00 0.00 46.19 41.74 3g05 s LEU 84 CO -0.05 -0.78 0.65 0.59 0.23 0.00 0.00 176.35 176.98 3g05 n ASN 85 N -0.38 -6.44 0.02 2.29 3.02 -1.26 -1.23 115.26 111.27 3g05 n ASN 85 Ca 0.07 -0.25 0.03 0.00 -0.03 0.00 0.00 54.58 54.39 3g05 n ASN 85 Cb 0.49 -4.50 -0.09 0.00 -0.61 0.00 0.00 39.78 35.06 3g05 n ASN 85 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g05 n ALA 86 N -2.12 2.15 0.58 5.41 0.00 -1.25 -3.43 120.51 121.84 3g05 n ALA 86 Ca -0.02 -0.58 0.10 0.00 0.00 0.00 0.00 53.44 52.94 3g05 n ALA 86 Cb 0.54 -0.85 0.13 0.00 0.00 0.00 0.00 19.45 19.27 3g05 n ALA 86 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3g05 n SER 87 N -2.72 2.97 -1.08 0.00 3.41 -1.26 -4.53 113.62 110.41 3g05 n SER 87 Ca -0.10 -1.90 0.11 0.00 -0.26 0.00 0.00 58.87 56.72 3g05 n SER 87 Cb 0.78 -0.10 0.27 0.00 -0.26 0.00 0.00 64.21 64.89 3g05 n SER 87 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3g05 n LYS 88 N 1.22 2.37 -0.61 4.33 5.02 -1.22 -5.05 118.16 124.22 3g05 n LYS 88 Ca 0.14 -2.12 0.00 0.00 -2.02 0.00 0.00 58.31 54.32 3g05 n LYS 88 Cb 0.53 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 3g05 n LYS 88 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3g05 n GLY 89 N 1.45 -3.74 0.07 0.72 0.00 -1.26 -4.69 105.19 97.73 3g05 n GLY 89 Ca 0.20 -0.90 0.02 0.00 0.00 0.00 0.00 46.02 45.34 3g05 n GLY 89 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3g05 n PRO 90 N -0.61 0.03 0.16 1.61 -0.02 -1.26 -2.13 135.00 132.78 3g05 n PRO 90 Ca 0.00 0.36 0.13 0.00 -2.02 0.00 0.00 63.50 61.97 3g05 n PRO 90 Cb 0.00 -1.91 0.40 0.00 -0.02 0.00 0.00 33.50 31.96 3g05 n PRO 90 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g05 h ALA 91 N 0.94 1.00 0.00 3.55 0.00 -1.88 -3.35 119.26 119.52 3g05 h ALA 91 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3g05 h ALA 91 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3g05 h ALA 91 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 179.25 180.80 3g05 n VAL 92 N -2.58 0.00 -2.17 0.00 3.14 -0.91 -4.83 118.33 110.98 3g05 n VAL 92 Ca 0.04 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 61.02 3g05 n VAL 92 Cb 0.40 1.46 -0.02 0.00 -1.06 0.00 0.00 33.84 34.62 3g05 n VAL 92 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 3g05 s ARG 93 N 0.00 4.30 0.04 1.45 1.81 -1.25 -4.64 118.95 120.65 3g05 s ARG 93 Ca 0.00 2.11 -0.02 0.00 -1.72 0.00 0.00 55.73 56.10 3g05 s ARG 93 Cb 0.00 -2.99 -0.03 0.00 -0.45 0.00 0.00 34.95 31.48 3g05 s ARG 93 CO 0.00 -0.20 0.01 0.00 -0.68 0.00 0.00 175.30 174.43 3g05 s ALA 94 N -1.19 0.22 -0.12 2.13 0.00 -0.36 -4.66 121.76 117.78 3g05 s ALA 94 Ca 0.50 -0.84 -0.02 0.00 0.00 0.00 0.00 51.96 51.61 3g05 s ALA 94 Cb -0.37 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 3g05 s ALA 94 CO 0.49 -0.30 -0.04 0.99 0.00 0.00 0.00 175.76 176.89 3g05 s THR 95 N -2.89 3.89 0.03 0.00 2.01 -1.26 0.18 115.64 117.60 3g05 s THR 95 Ca -0.03 -0.38 -0.03 0.00 0.31 0.00 0.00 61.69 61.57 3g05 s THR 95 Cb 0.00 -2.65 -0.02 0.00 0.01 0.00 0.00 72.50 69.84 3g05 s THR 95 CO -0.06 0.55 0.02 0.00 -0.69 0.00 0.00 174.62 174.44 3g05 s ARG 96 N -0.22 0.47 0.03 4.92 1.70 -0.18 -1.10 118.95 124.57 3g05 s ARG 96 Ca 0.04 -0.75 0.01 0.00 -0.47 0.00 0.00 55.73 54.56 3g05 s ARG 96 Cb -0.13 0.17 -0.02 0.00 -0.57 0.00 0.00 34.95 34.41 3g05 s ARG 96 CO 0.02 -0.10 -0.06 0.00 -1.08 0.00 0.00 175.30 174.09 3g05 s ALA 97 N -2.27 0.38 -0.15 7.88 0.00 -0.16 -1.18 121.76 126.26 3g05 s ALA 97 Ca -0.08 -0.64 -0.18 0.00 0.00 0.00 0.00 51.96 51.06 3g05 s ALA 97 Cb -0.04 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 3g05 s ALA 97 CO -0.04 -0.06 0.49 -0.65 0.00 0.00 0.00 175.76 175.50 3g05 s GLN 98 N -1.38 4.28 0.11 0.00 -1.52 -0.66 0.13 119.66 120.62 3g05 s GLN 98 Ca -0.11 0.42 -0.15 0.00 -1.95 0.00 0.00 55.36 53.57 3g05 s GLN 98 Cb -0.09 -3.48 -0.07 0.00 -0.22 0.00 0.00 33.01 29.15 3g05 s GLN 98 CO -0.00 0.05 0.53 0.00 -0.25 0.00 0.00 175.29 175.61 3g05 s ALA 99 N 1.00 3.60 -0.45 6.09 0.00 0.22 -0.35 121.76 131.87 3g05 s ALA 99 Ca 0.25 -0.11 -0.26 0.00 0.00 0.00 0.00 51.96 51.84 3g05 s ALA 99 Cb -0.15 -2.52 0.03 0.00 0.00 0.00 0.00 23.12 20.47 3g05 s ALA 99 CO 0.10 0.45 0.97 0.34 0.00 0.00 0.00 175.76 177.62 3g05 s ASP 100 N -1.48 6.56 0.31 0.00 -1.08 -0.77 -4.60 116.67 115.61 3g05 s ASP 100 Ca 0.33 0.27 0.07 0.00 -0.52 0.00 0.00 52.55 52.70 3g05 s ASP 100 Cb -0.16 -2.47 0.87 0.00 -1.46 0.00 0.00 42.92 39.70 3g05 s ASP 100 CO 0.18 -1.06 1.64 0.03 0.52 0.00 0.00 175.17 176.48 3g05 h ARG 101 N 9.01 0.21 0.07 4.34 3.08 -1.83 -2.28 114.38 126.97 3g05 h ARG 101 Ca -0.24 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 3g05 h ARG 101 Cb 1.07 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.08 3g05 h ARG 101 CO 1.04 0.14 -0.03 0.28 -1.07 0.00 0.00 179.97 180.33 3g05 h VAL 102 N 0.21 0.00 0.00 2.04 2.07 -1.93 -2.58 116.25 116.07 3g05 h VAL 102 Ca 0.63 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 68.05 3g05 h VAL 102 Cb 1.37 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3g05 h VAL 102 CO -0.67 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.10 3g05 n LEU 103 N -2.53 0.00 -0.26 2.57 4.77 -1.14 0.63 117.00 121.04 3g05 n LEU 103 Ca -0.01 0.08 -0.12 0.00 -0.03 0.00 0.00 56.01 55.93 3g05 n LEU 103 Cb 0.04 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 3g05 n LEU 103 CO 0.03 -0.04 0.49 0.22 -1.33 0.00 0.00 177.39 176.76 3g05 h TYR 104 N 0.00 -1.77 -0.98 -1.77 5.03 -1.50 0.25 116.97 116.23 3g05 h TYR 104 Ca 0.00 0.10 0.19 0.00 2.58 0.00 0.00 58.73 61.60 3g05 h TYR 104 Cb 0.00 0.86 -0.09 0.00 1.55 0.00 0.00 36.73 39.05 3g05 h TYR 104 CO -0.07 -0.43 0.61 -0.09 -1.32 0.00 0.00 178.16 176.86 3g05 h ARG 105 N -0.22 0.65 0.00 1.82 2.43 0.62 0.16 114.38 119.84 3g05 h ARG 105 Ca 0.11 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3g05 h ARG 105 Cb 0.50 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3g05 h ARG 105 CO -0.74 0.43 0.00 0.94 -1.51 0.00 0.00 179.97 179.09 3g05 n GLN 106 N -4.68 0.00 -0.14 0.20 -0.06 0.12 -1.52 117.38 111.31 3g05 n GLN 106 Ca 0.22 0.20 0.03 0.00 -2.00 0.00 0.00 57.00 55.45 3g05 n GLN 106 Cb 0.60 -1.19 0.07 0.00 -4.06 0.00 0.00 30.24 25.66 3g05 n GLN 106 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3g05 n ALA 107 N -1.09 0.12 0.10 1.69 0.00 -0.03 0.15 120.51 121.45 3g05 n ALA 107 Ca 0.00 0.42 -0.03 0.00 0.00 0.00 0.00 53.44 53.83 3g05 n ALA 107 Cb 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.19 3g05 n ALA 107 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3g05 h VAL 108 N 0.00 1.42 0.32 0.00 2.07 -0.66 -2.34 116.25 117.05 3g05 h VAL 108 Ca 0.20 -2.77 -0.02 0.00 0.82 0.00 0.00 66.70 64.93 3g05 h VAL 108 Cb 0.34 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 3g05 h VAL 108 CO -0.38 0.76 -0.15 -0.09 0.02 0.00 0.00 177.57 177.72 3g05 h ARG 109 N 0.00 -0.42 -0.92 1.57 2.43 0.25 -2.76 114.38 114.53 3g05 h ARG 109 Ca -0.01 0.03 0.26 0.00 -0.81 0.00 0.00 59.98 59.45 3g05 h ARG 109 Cb 1.49 0.09 -0.14 0.00 -0.42 0.00 0.00 29.97 30.99 3g05 h ARG 109 CO 0.10 -0.28 0.33 1.79 -1.51 0.00 0.00 179.97 180.41 3g05 h THR 110 N -0.68 0.31 -0.49 0.20 1.35 -0.89 0.25 112.91 112.97 3g05 h THR 110 Ca -0.04 -0.08 -0.04 0.00 -0.55 0.00 0.00 66.41 65.69 3g05 h THR 110 Cb 0.33 0.04 -0.02 0.00 -1.73 0.00 0.00 68.15 66.77 3g05 h THR 110 CO 0.07 0.04 0.15 0.00 -0.25 0.00 0.00 175.52 175.53 3g05 h ALA 111 N 1.80 0.64 -0.00 6.62 0.00 -1.43 -0.94 119.26 125.96 3g05 h ALA 111 Ca 0.61 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 55.21 3g05 h ALA 111 Cb 1.27 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3g05 h ALA 111 CO -0.64 0.30 -0.57 -0.07 0.00 0.00 0.00 179.25 178.27 3g05 h LEU 112 N 0.66 0.02 -1.39 0.00 4.07 -0.31 -3.10 115.31 115.26 3g05 h LEU 112 Ca 0.16 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.08 3g05 h LEU 112 Cb 0.28 -0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.00 3g05 h LEU 112 CO -0.00 0.58 0.09 -0.08 -1.08 0.00 0.00 178.44 177.95 3g05 h GLU 113 N 0.01 0.50 -1.07 1.13 4.81 -0.10 -3.22 114.58 116.64 3g05 h GLU 113 Ca -0.01 -0.08 -0.63 0.00 -0.13 0.00 0.00 59.36 58.52 3g05 h GLU 113 Cb 1.02 -0.09 -0.35 0.00 0.63 0.00 0.00 28.75 29.95 3g05 h GLU 113 CO 0.08 0.46 0.11 0.09 -0.73 0.00 0.00 179.01 179.01 3g05 n ASN 114 N -4.35 6.37 -3.65 1.04 4.13 -0.43 -4.97 115.26 113.38 3g05 n ASN 114 Ca 0.02 -3.77 -0.26 0.00 1.68 0.00 0.00 54.58 52.25 3g05 n ASN 114 Cb 0.18 -0.70 -0.17 0.00 -1.54 0.00 0.00 39.78 37.54 3g05 n ASN 114 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 3g05 s GLN 115 N -3.74 0.20 -0.00 3.52 2.00 -1.22 -5.00 119.66 115.42 3g05 s GLN 115 Ca 0.57 -0.09 -0.01 0.00 -2.00 0.00 0.00 55.36 53.83 3g05 s GLN 115 Cb 0.45 -1.70 -0.00 0.00 0.80 0.00 0.00 33.01 32.56 3g05 s GLN 115 CO -0.05 -0.61 0.02 -2.30 -0.50 0.00 0.00 175.29 171.85 3g05 n PRO 116 N 5.23 0.00 -0.15 1.67 -0.01 -1.26 -1.79 135.00 138.69 3g05 n PRO 116 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.42 3g05 n PRO 116 Cb 0.49 -0.02 0.00 0.00 -0.01 0.00 0.00 33.50 33.96 3g05 n PRO 116 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 175.50 175.58 3g05 n ASN 117 N 0.04 0.00 -4.48 2.55 5.03 -1.26 -4.33 115.26 112.82 3g05 n ASN 117 Ca 0.00 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.06 3g05 n ASN 117 Cb -0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 38.65 3g05 n ASN 117 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3g05 s LEU 118 N 0.00 4.32 -0.34 3.41 2.96 -0.74 -1.69 118.68 126.61 3g05 s LEU 118 Ca 0.00 -0.50 -0.11 0.00 -0.22 0.00 0.00 54.13 53.29 3g05 s LEU 118 Cb 0.00 -2.06 -0.00 0.00 0.50 0.00 0.00 46.19 44.62 3g05 s LEU 118 CO 0.00 -0.22 0.20 -0.32 -1.32 0.00 0.00 176.35 174.69 3g05 s MET 119 N 1.66 3.31 0.24 1.98 -2.45 0.35 -4.84 119.30 119.55 3g05 s MET 119 Ca 0.05 -0.76 -0.28 0.00 -1.25 0.00 0.00 55.69 53.45 3g05 s MET 119 Cb -0.17 -3.70 -0.09 0.00 1.25 0.00 0.00 34.83 32.12 3g05 s MET 119 CO 0.08 -0.48 0.91 0.42 1.05 0.00 0.00 175.02 177.00 3g05 s ILE 120 N 1.65 4.16 -0.29 10.11 1.01 -1.26 -0.57 121.20 136.01 3g05 s ILE 120 Ca 0.05 1.96 -0.14 0.00 0.00 0.00 0.00 60.65 62.51 3g05 s ILE 120 Cb -0.18 -4.22 0.12 0.00 0.01 0.00 0.00 42.46 38.19 3g05 s ILE 120 CO 0.08 0.43 0.80 0.12 0.00 0.00 0.00 174.94 176.37 3g05 s PHE 121 N -1.27 -0.95 -0.79 3.97 5.36 -0.57 -4.92 117.98 118.81 3g05 s PHE 121 Ca 0.42 1.78 -0.12 0.00 -0.96 0.00 0.00 56.93 58.05 3g05 s PHE 121 Cb -0.24 0.57 0.21 0.00 -0.34 0.00 0.00 43.02 43.22 3g05 s PHE 121 CO 0.29 -0.47 0.71 -1.14 -1.46 0.00 0.00 175.22 173.16 3g05 s GLN 122 N 1.99 3.44 0.17 10.12 0.74 -1.26 -3.28 119.66 131.58 3g05 s GLN 122 Ca -0.08 -2.45 -0.01 0.00 0.05 0.00 0.00 55.36 52.87 3g05 s GLN 122 Cb -0.06 -4.33 -0.04 0.00 1.10 0.00 0.00 33.01 29.68 3g05 s GLN 122 CO -0.18 -1.27 0.10 -0.65 -0.55 0.00 0.00 175.29 172.73 3g05 s GLN 123 N 0.17 1.09 0.43 1.67 -1.52 0.10 -4.83 119.66 116.76 3g05 s GLN 123 Ca 0.17 -1.55 -0.00 0.00 -1.95 0.00 0.00 55.36 52.03 3g05 s GLN 123 Cb -0.12 0.25 -0.01 0.00 -0.22 0.00 0.00 33.01 32.91 3g05 s GLN 123 CO -0.08 -0.33 0.65 0.00 -0.25 0.00 0.00 175.29 175.28 3g05 s ALA 124 N -4.11 3.72 -0.18 6.09 0.00 -1.26 -2.69 121.76 123.32 3g05 s ALA 124 Ca 0.33 -0.99 -0.09 0.00 0.00 0.00 0.00 51.96 51.21 3g05 s ALA 124 Cb 0.07 -2.16 -0.05 0.00 0.00 0.00 0.00 23.12 20.98 3g05 s ALA 124 CO 0.08 -0.29 0.11 0.54 0.00 0.00 0.00 175.76 176.19 3g05 s VAL 125 N -2.51 5.23 -0.03 0.00 0.11 -1.26 -0.16 120.40 121.77 3g05 s VAL 125 Ca 0.46 0.12 -0.24 0.00 -2.93 0.00 0.00 61.98 59.39 3g05 s VAL 125 Cb -0.10 -3.36 -0.18 0.00 -1.53 0.00 0.00 36.38 31.20 3g05 s VAL 125 CO 0.38 0.47 1.11 -0.08 -3.33 0.00 0.00 175.10 173.65 3g05 h GLU 126 N 6.47 -0.14 -1.60 1.54 4.57 -0.32 -3.43 114.58 121.66 3g05 h GLU 126 Ca -0.42 0.01 0.20 0.00 -1.18 0.00 0.00 59.36 57.97 3g05 h GLU 126 Cb 1.16 0.03 -0.20 0.00 -0.16 0.00 0.00 28.75 29.59 3g05 h GLU 126 CO 0.72 0.32 0.72 0.34 -1.18 0.00 0.00 179.01 179.93 3g05 s ASP 127 N -5.53 -0.21 0.71 1.04 2.15 -1.14 -2.76 116.67 110.94 3g05 s ASP 127 Ca -0.15 0.06 -0.12 0.00 0.43 0.00 0.00 52.55 52.78 3g05 s ASP 127 Cb 0.01 0.20 0.02 0.00 -0.30 0.00 0.00 42.92 42.86 3g05 s ASP 127 CO 0.58 -0.30 1.08 -0.76 -0.17 0.00 0.00 175.17 175.60 3g05 s LEU 128 N -1.95 3.19 -0.21 -1.34 1.43 -1.26 -0.58 118.68 117.95 3g05 s LEU 128 Ca 0.07 1.81 -0.07 0.00 -1.03 0.00 0.00 54.13 54.90 3g05 s LEU 128 Cb -0.01 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.65 3g05 s LEU 128 CO -0.05 -1.70 0.06 -0.63 0.23 0.00 0.00 176.35 174.26 3g05 s ILE 129 N -2.77 4.54 -0.08 -0.59 1.01 0.75 -4.75 121.20 119.31 3g05 s ILE 129 Ca 0.62 -0.11 0.01 0.00 0.00 0.00 0.00 60.65 61.17 3g05 s ILE 129 Cb -0.17 -3.07 0.02 0.00 0.01 0.00 0.00 42.46 39.25 3g05 s ILE 129 CO 0.50 0.41 -0.09 -0.69 0.00 0.00 0.00 174.94 175.08 3g05 s VAL 130 N 0.86 0.96 -0.25 2.92 1.01 -1.26 -2.45 120.40 122.18 3g05 s VAL 130 Ca 0.03 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.73 3g05 s VAL 130 Cb -0.14 -0.94 0.06 0.00 0.00 0.00 0.00 36.38 35.36 3g05 s VAL 130 CO 0.02 0.33 -0.11 -1.61 0.00 0.00 0.00 175.10 173.73 3g05 s GLU 131 N 1.17 2.27 -1.08 2.72 2.02 -0.36 -4.78 118.70 120.67 3g05 s GLU 131 Ca -0.05 -1.31 -0.02 0.00 0.02 0.00 0.00 54.97 53.60 3g05 s GLU 131 Cb -0.14 -2.87 -0.03 0.00 0.10 0.00 0.00 34.13 31.20 3g05 s GLU 131 CO -0.02 -0.55 0.91 0.09 0.02 0.00 0.00 175.26 175.72 3g05 n ASN 132 N 4.45 -3.81 -1.10 -0.19 4.13 -1.26 -2.88 115.26 114.60 3g05 n ASN 132 Ca -0.14 -0.62 -0.13 0.00 1.68 0.00 0.00 54.58 55.37 3g05 n ASN 132 Cb 0.43 -4.91 -0.06 0.00 -1.54 0.00 0.00 39.78 33.70 3g05 n ASN 132 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 3g05 n ASP 133 N -3.06 -4.74 -4.36 6.41 8.00 -1.26 -4.95 116.55 112.58 3g05 n ASP 133 Ca -0.19 0.32 -0.32 0.00 0.71 0.00 0.00 54.79 55.31 3g05 n ASP 133 Cb 0.64 -3.86 -0.15 0.00 -0.02 0.00 0.00 41.12 37.73 3g05 n ASP 133 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3g05 s ARG 134 N -3.00 2.39 1.11 -1.24 3.52 -1.14 0.64 118.95 121.24 3g05 s ARG 134 Ca 0.00 -0.83 -0.13 0.00 -0.13 0.00 0.00 55.73 54.64 3g05 s ARG 134 Cb 0.00 -2.21 0.25 0.00 -1.56 0.00 0.00 34.95 31.44 3g05 s ARG 134 CO 0.00 0.53 1.05 0.14 -0.81 0.00 0.00 175.30 176.21 3g05 s VAL 135 N -0.52 2.01 0.00 7.11 -7.23 -0.92 -1.23 120.40 119.62 3g05 s VAL 135 Ca 0.07 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.24 3g05 s VAL 135 Cb -0.11 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.59 3g05 s VAL 135 CO 0.01 -0.00 0.00 0.55 -0.31 0.00 0.00 175.10 175.34 3g05 n VAL 136 N -4.67 0.00 0.00 1.32 3.14 -1.02 -4.66 118.33 112.44 3g05 n VAL 136 Ca 0.03 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.41 3g05 n VAL 136 Cb 0.56 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.34 3g05 n VAL 136 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3g05 n GLY 137 N 0.00 1.01 3.91 7.55 0.00 -1.21 -1.10 105.19 115.34 3g05 n GLY 137 Ca 0.00 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 3g05 n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g05 s ALA 138 N -2.00 3.84 -0.12 4.61 0.00 -0.82 0.27 121.76 127.53 3g05 s ALA 138 Ca 0.00 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 50.82 3g05 s ALA 138 Cb 0.00 -1.64 -0.01 0.00 0.00 0.00 0.00 23.12 21.48 3g05 s ALA 138 CO 0.00 0.44 -0.18 0.08 0.00 0.00 0.00 175.76 176.10 3g05 s VAL 139 N -1.83 2.59 0.61 0.00 1.01 0.25 -1.16 120.40 121.86 3g05 s VAL 139 Ca 0.33 -0.82 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 3g05 s VAL 139 Cb -0.10 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 3g05 s VAL 139 CO 0.27 0.54 0.97 0.42 0.00 0.00 0.00 175.10 177.30 3g05 s THR 140 N 0.42 4.29 0.00 3.92 -4.23 0.45 0.32 115.64 120.81 3g05 s THR 140 Ca -0.13 0.50 0.00 0.00 -1.18 0.00 0.00 61.69 60.87 3g05 s THR 140 Cb -0.17 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 69.97 3g05 s THR 140 CO 0.06 -0.85 0.79 1.67 -0.54 0.00 0.00 174.62 175.75 3g05 n GLN 141 N -2.68 0.00 0.00 3.99 7.27 0.78 -1.34 117.38 125.39 3g05 n GLN 141 Ca 0.05 0.65 0.00 0.00 0.07 0.00 0.00 57.00 57.77 3g05 n GLN 141 Cb 0.56 -1.29 0.00 0.00 2.41 0.00 0.00 30.24 31.91 3g05 n GLN 141 CO 0.00 0.00 0.00 -0.12 0.07 0.00 0.00 177.06 177.01 3g05 n MET 142 N -1.94 0.00 0.00 3.69 1.56 -1.26 -4.69 117.12 114.47 3g05 n MET 142 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 3g05 n MET 142 Cb 0.00 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.37 3g05 n MET 142 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 3g05 n GLY 143 N -0.48 1.36 3.62 -5.12 0.00 -0.45 -5.12 105.19 99.00 3g05 n GLY 143 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 3g05 n GLY 143 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3g05 n LEU 144 N 0.00 2.31 -4.58 0.99 7.94 -1.26 -4.60 117.00 117.80 3g05 n LEU 144 Ca 0.00 1.14 -0.34 0.00 -1.11 0.00 0.00 56.01 55.70 3g05 n LEU 144 Cb 0.00 -1.32 -0.11 0.00 0.53 0.00 0.00 43.42 42.52 3g05 n LEU 144 CO 0.00 -0.89 -0.37 -0.54 -1.11 0.00 0.00 177.39 174.48 3g05 s LYS 145 N -0.34 2.79 -0.09 1.96 1.02 -1.00 0.17 119.74 124.25 3g05 s LYS 145 Ca 0.71 -0.54 0.04 0.00 0.02 0.00 0.00 55.97 56.20 3g05 s LYS 145 Cb -0.75 -2.61 -0.01 0.00 -0.52 0.00 0.00 37.83 33.94 3g05 s LYS 145 CO 0.50 0.65 -0.22 -0.06 -0.92 0.00 0.00 175.35 175.31 3g05 s PHE 146 N -0.78 2.57 0.02 3.18 0.08 -0.31 -1.66 117.98 121.08 3g05 s PHE 146 Ca 0.12 -0.81 -0.26 0.00 0.12 0.00 0.00 56.93 56.10 3g05 s PHE 146 Cb -0.11 -1.69 -0.05 0.00 -0.57 0.00 0.00 43.02 40.60 3g05 s PHE 146 CO 0.02 -0.28 0.81 1.03 -0.10 0.00 0.00 175.22 176.70 3g05 s ARG 147 N 0.10 4.52 0.16 0.44 0.52 -1.26 -1.95 118.95 121.48 3g05 s ARG 147 Ca -0.10 1.13 0.02 0.00 -0.52 0.00 0.00 55.73 56.25 3g05 s ARG 147 Cb -0.16 -3.40 -0.05 0.00 0.52 0.00 0.00 34.95 31.87 3g05 s ARG 147 CO 0.06 0.18 -0.00 0.00 0.02 0.00 0.00 175.30 175.56 3g05 s ALA 148 N 0.28 1.29 -0.14 2.13 0.00 -0.26 -1.05 121.76 124.01 3g05 s ALA 148 Ca 0.41 -1.56 0.17 0.00 0.00 0.00 0.00 51.96 50.98 3g05 s ALA 148 Cb -0.20 0.51 -0.08 0.00 0.00 0.00 0.00 23.12 23.34 3g05 s ALA 148 CO 0.24 -0.31 0.97 0.87 0.00 0.00 0.00 175.76 177.52 3g05 h LYS 149 N 2.73 0.00 -3.39 0.00 1.57 0.11 -3.37 116.57 114.22 3g05 h LYS 149 Ca -0.36 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.24 3g05 h LYS 149 Cb 1.20 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 33.27 3g05 h LYS 149 CO 0.63 0.30 -0.51 0.00 -0.57 0.00 0.00 179.45 179.30 3g05 s ALA 150 N -2.97 -0.39 -0.06 3.86 0.00 -0.50 -4.85 121.76 116.85 3g05 s ALA 150 Ca -0.01 0.27 0.05 0.00 0.00 0.00 0.00 51.96 52.27 3g05 s ALA 150 Cb 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 3g05 s ALA 150 CO 0.80 -0.12 -0.23 0.08 0.00 0.00 0.00 175.76 176.28 3g05 s VAL 151 N -0.41 2.22 -0.30 0.00 1.01 0.38 -2.00 120.40 121.29 3g05 s VAL 151 Ca -0.05 -1.01 -0.10 0.00 0.00 0.00 0.00 61.98 60.83 3g05 s VAL 151 Cb -0.03 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 3g05 s VAL 151 CO 0.01 0.57 0.15 -0.69 0.00 0.00 0.00 175.10 175.14 3g05 s VAL 152 N -0.19 4.70 0.15 2.92 1.01 0.77 -0.94 120.40 128.83 3g05 s VAL 152 Ca -0.03 -0.29 -0.24 0.00 0.00 0.00 0.00 61.98 61.43 3g05 s VAL 152 Cb -0.14 -3.35 -0.08 0.00 0.00 0.00 0.00 36.38 32.82 3g05 s VAL 152 CO 0.03 0.13 0.73 -0.22 0.00 0.00 0.00 175.10 175.77 3g05 s LEU 153 N 1.64 4.56 0.00 3.92 0.20 0.15 -0.83 118.68 128.32 3g05 s LEU 153 Ca 0.05 1.56 0.00 0.00 0.69 0.00 0.00 54.13 56.43 3g05 s LEU 153 Cb -0.17 -3.24 0.00 0.00 -0.43 0.00 0.00 46.19 42.35 3g05 s LEU 153 CO 0.07 0.21 0.00 1.07 -0.29 0.00 0.00 176.35 177.41 3g05 n THR 154 N 1.54 0.00 0.00 3.68 5.66 -0.87 -2.90 114.28 121.39 3g05 n THR 154 Ca -0.06 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.94 3g05 n THR 154 Cb 0.49 -0.50 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3g05 n THR 154 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 3g05 n VAL 155 N -2.32 0.00 -0.67 1.08 3.14 -1.21 -4.08 118.33 114.26 3g05 n VAL 155 Ca 0.00 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.28 3g05 n VAL 155 Cb 0.08 0.00 0.07 0.00 -1.06 0.00 0.00 33.84 32.92 3g05 n VAL 155 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3g05 n GLY 156 N 0.00 -1.78 3.48 7.55 0.00 -1.26 -3.79 105.19 109.39 3g05 n GLY 156 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3g05 n GLY 156 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3g05 n THR 157 N -3.64 0.00 0.00 2.61 5.66 -1.26 -4.38 114.28 113.27 3g05 n THR 157 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 3g05 n THR 157 Cb 0.20 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.98 3g05 n THR 157 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 3g05 n PHE 158 N -2.00 0.00 0.00 1.09 7.35 -1.25 -4.98 117.46 117.67 3g05 n PHE 158 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3g05 n PHE 158 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 3g05 n PHE 158 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3g05 n LEU 159 N 0.00 0.00 0.00 -2.13 4.77 -1.26 -5.07 117.00 113.30 3g05 n LEU 159 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3g05 n LEU 159 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3g05 n LEU 159 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.16 3g05 n ASP 160 N 0.00 0.00 0.00 -1.43 5.68 -1.26 -5.03 116.55 114.51 3g05 n ASP 160 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 3g05 n ASP 160 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3g05 n ASP 160 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3g05 n GLY 161 N 0.00 0.02 2.70 6.12 0.00 -1.26 -4.90 105.19 107.87 3g05 n GLY 161 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 3g05 n GLY 161 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g05 n LYS 162 N 0.00 -2.85 -3.13 1.61 4.01 -1.26 -2.70 118.16 113.83 3g05 n LYS 162 Ca 0.00 2.23 -0.39 0.00 -0.51 0.00 0.00 58.31 59.64 3g05 n LYS 162 Cb 0.00 -2.83 -0.06 0.00 -0.51 0.00 0.00 35.03 31.63 3g05 n LYS 162 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3g05 s ILE 163 N -0.32 4.70 -0.16 -0.18 1.01 -1.26 -3.27 121.20 121.72 3g05 s ILE 163 Ca -0.11 1.41 0.01 0.00 0.00 0.00 0.00 60.65 61.96 3g05 s ILE 163 Cb 0.01 -4.00 0.01 0.00 0.01 0.00 0.00 42.46 38.48 3g05 s ILE 163 CO 0.31 0.47 -0.18 -1.00 0.00 0.00 0.00 174.94 174.55 3g05 s HIS 164 N -0.67 2.77 -0.33 3.97 3.76 0.07 -4.78 115.29 120.07 3g05 s HIS 164 Ca 0.33 -1.31 0.02 0.00 -0.15 0.00 0.00 55.06 53.95 3g05 s HIS 164 Cb -0.20 -1.90 0.10 0.00 1.11 0.00 0.00 32.58 31.69 3g05 s HIS 164 CO 0.21 -0.63 0.08 0.42 -0.85 0.00 0.00 174.74 173.97 3g05 s ILE 165 N 1.03 1.65 0.32 0.60 1.01 -1.26 -2.13 121.20 122.41 3g05 s ILE 165 Ca -0.01 -1.97 0.00 0.00 0.00 0.00 0.00 60.65 58.67 3g05 s ILE 165 Cb -0.15 -2.23 0.00 0.00 0.01 0.00 0.00 42.46 40.10 3g05 s ILE 165 CO -0.05 -0.65 0.00 0.61 0.00 0.00 0.00 174.94 174.85 3g05 n GLY 166 N 4.46 -1.71 3.50 6.18 0.00 6.97 -4.24 105.19 120.36 3g05 n GLY 166 Ca 0.02 -0.52 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 3g05 n GLY 166 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3g05 n LEU 167 N -3.68 0.15 -3.43 0.99 -0.00 -1.26 -4.86 117.00 104.91 3g05 n LEU 167 Ca -0.05 -1.16 0.01 0.00 -0.00 0.00 0.00 56.01 54.82 3g05 n LEU 167 Cb 0.37 -1.12 -0.03 0.00 -0.00 0.00 0.00 43.42 42.64 3g05 n LEU 167 CO 0.02 -2.14 0.27 -1.81 -0.00 0.00 0.00 177.39 173.73 3g05 s ASP 168 N 5.46 -1.16 0.00 1.45 1.01 -1.26 -5.04 116.67 117.14 3g05 s ASP 168 Ca 1.03 1.21 0.00 0.00 0.71 0.00 0.00 52.55 55.50 3g05 s ASP 168 Cb -0.42 2.16 0.00 0.00 1.01 0.00 0.00 42.92 45.67 3g05 s ASP 168 CO 0.29 -0.22 0.00 -1.20 0.21 0.00 0.00 175.17 174.25 3g05 n SER 180 N 5.40 0.00 -1.64 0.27 7.64 -1.26 -4.74 113.62 119.30 3g05 n SER 180 Ca -0.08 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.80 3g05 n SER 180 Cb 0.50 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.70 3g05 n SER 180 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3g05 n ILE 181 N 0.00 -4.40 0.16 0.44 -0.00 -1.26 -4.74 119.36 109.56 3g05 n ILE 181 Ca 0.00 0.41 0.17 0.00 -0.00 0.00 0.00 62.75 63.32 3g05 n ILE 181 Cb 0.00 -3.92 0.77 0.00 -0.00 0.00 0.00 39.64 36.49 3g05 n ILE 181 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.55 175.90 3g05 h PRO 182 N 0.59 0.00 -0.78 0.38 0.11 -1.94 -0.26 132.00 130.10 3g05 h PRO 182 Ca -0.08 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.17 3g05 h PRO 182 Cb 0.18 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.24 3g05 h PRO 182 CO 0.00 0.00 0.52 1.25 -0.21 0.00 0.00 178.00 179.56 3g05 h LEU 183 N 0.00 0.48 -0.15 2.35 5.85 -1.87 1.09 115.31 123.06 3g05 h LEU 183 Ca 0.11 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 3g05 h LEU 183 Cb 0.55 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 3g05 h LEU 183 CO -0.00 0.25 -0.10 0.28 -0.34 0.00 0.00 178.44 178.53 3g05 h SER 184 N 0.51 0.35 0.81 1.25 0.02 -1.33 -2.49 113.55 112.67 3g05 h SER 184 Ca 0.38 -0.44 -0.04 0.00 -0.84 0.00 0.00 61.79 60.86 3g05 h SER 184 Cb 0.76 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 63.21 3g05 h SER 184 CO -0.14 0.71 -0.41 -0.09 -1.14 0.00 0.00 176.83 175.77 3g05 h ARG 185 N -0.01 -1.07 -0.39 3.45 2.43 -1.25 -2.50 114.38 115.05 3g05 h ARG 185 Ca 0.03 0.07 0.08 0.00 -0.81 0.00 0.00 59.98 59.36 3g05 h ARG 185 Cb 0.59 0.24 -0.08 0.00 -0.42 0.00 0.00 29.97 30.30 3g05 h ARG 185 CO 0.03 -0.71 -0.18 -0.09 -1.51 0.00 0.00 179.97 177.50 3g05 h ARG 186 N -1.11 -0.11 -0.81 0.20 2.43 0.11 0.19 114.38 115.28 3g05 h ARG 186 Ca -0.11 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.16 3g05 h ARG 186 Cb 0.86 0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 30.31 3g05 h ARG 186 CO 0.17 -0.07 -0.52 -0.07 -1.51 0.00 0.00 179.97 177.97 3g05 h LEU 187 N -0.11 -1.87 -2.40 3.80 4.07 -1.43 0.22 115.31 117.59 3g05 h LEU 187 Ca 0.19 0.30 -0.01 0.00 0.08 0.00 0.00 57.88 58.44 3g05 h LEU 187 Cb 0.41 0.84 -0.00 0.00 1.08 0.00 0.00 40.66 42.98 3g05 h LEU 187 CO -0.46 -0.29 -0.02 0.03 -1.08 0.00 0.00 178.44 176.61 3g05 h ARG 188 N -0.12 0.00 0.00 1.13 3.08 -0.19 -1.64 114.38 116.64 3g05 h ARG 188 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3g05 h ARG 188 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3g05 h ARG 188 CO -0.84 0.02 0.00 0.93 -1.07 0.00 0.00 179.97 179.02 3g05 h GLU 189 N 0.00 0.00 -7.14 0.04 5.08 -0.07 -3.42 114.58 109.07 3g05 h GLU 189 Ca -0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 3g05 h GLU 189 Cb 0.07 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.35 3g05 h GLU 189 CO 0.00 0.00 0.31 -0.51 -1.00 0.00 0.00 179.01 177.81 3g05 s LEU 190 N -5.62 3.56 -0.36 1.33 1.43 -0.62 -4.96 118.68 113.45 3g05 s LEU 190 Ca 0.04 1.39 -0.03 0.00 -1.03 0.00 0.00 54.13 54.50 3g05 s LEU 190 Cb 0.09 -4.34 -0.04 0.00 0.03 0.00 0.00 46.19 41.92 3g05 s LEU 190 CO 0.54 -0.62 1.54 -0.81 0.23 0.00 0.00 176.35 177.23 3g05 n PRO 191 N -1.89 0.97 -3.30 1.29 -0.04 -1.26 -4.90 135.00 125.87 3g05 n PRO 191 Ca 0.05 -0.82 -0.40 0.00 -0.04 0.00 0.00 63.50 62.29 3g05 n PRO 191 Cb 0.54 -2.09 -0.08 0.00 -0.04 0.00 0.00 33.50 31.83 3g05 n PRO 191 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3g05 s LEU 192 N 0.04 4.18 -0.54 1.53 1.43 -1.26 -5.03 118.68 119.03 3g05 s LEU 192 Ca 0.21 0.19 -0.28 0.00 -1.03 0.00 0.00 54.13 53.22 3g05 s LEU 192 Cb 0.06 -2.53 0.01 0.00 0.03 0.00 0.00 46.19 43.77 3g05 s LEU 192 CO -0.01 -0.32 1.43 -0.13 0.23 0.00 0.00 176.35 177.54 3g05 s ARG 193 N 2.23 3.32 0.23 1.70 0.52 -1.26 -4.90 118.95 120.79 3g05 s ARG 193 Ca 0.17 0.54 -0.22 0.00 -0.52 0.00 0.00 55.73 55.70 3g05 s ARG 193 Cb -0.16 -4.12 -0.08 0.00 0.52 0.00 0.00 34.95 31.11 3g05 s ARG 193 CO 0.11 -1.90 0.78 0.08 0.02 0.00 0.00 175.30 174.39 3g05 s VAL 194 N 6.05 4.44 0.23 3.52 1.01 -1.26 -0.01 120.40 134.37 3g05 s VAL 194 Ca 0.54 1.50 0.05 0.00 0.00 0.00 0.00 61.98 64.07 3g05 s VAL 194 Cb -0.11 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 3g05 s VAL 194 CO 0.26 0.27 -0.05 -0.83 0.00 0.00 0.00 175.10 174.76 3g05 s GLY 195 N -1.52 1.54 0.34 4.51 0.00 -0.39 -4.90 107.32 106.90 3g05 s GLY 195 Ca 0.43 -1.75 0.07 0.00 0.00 0.00 0.00 44.72 43.47 3g05 s GLY 195 CO 0.23 -1.71 0.34 0.50 0.00 0.00 0.00 173.10 172.45 3g05 s ARG 196 N -3.78 2.82 -0.22 2.90 1.81 -1.26 -0.91 118.95 120.31 3g05 s ARG 196 Ca 0.26 -1.23 -0.26 0.00 -1.72 0.00 0.00 55.73 52.78 3g05 s ARG 196 Cb 0.04 -2.56 0.07 0.00 -0.45 0.00 0.00 34.95 32.05 3g05 s ARG 196 CO 0.08 0.08 0.71 -1.17 -0.68 0.00 0.00 175.30 174.33 3g05 s LEU 197 N -4.04 -0.73 -0.42 2.53 1.98 -0.09 -4.90 118.68 113.01 3g05 s LEU 197 Ca 0.42 1.29 0.07 0.00 -2.89 0.00 0.00 54.13 53.01 3g05 s LEU 197 Cb -0.07 2.48 0.23 0.00 0.66 0.00 0.00 46.19 49.49 3g05 s LEU 197 CO 0.28 -0.33 0.56 0.29 -1.89 0.00 0.00 176.35 175.26 3g05 n LYS 198 N 2.29 0.60 -1.50 1.98 4.76 -1.26 0.43 118.16 125.46 3g05 n LYS 198 Ca -0.15 -2.88 -0.46 0.00 -2.87 0.00 0.00 58.31 51.95 3g05 n LYS 198 Cb 0.55 -1.37 -0.02 0.00 -1.84 0.00 0.00 35.03 32.36 3g05 n LYS 198 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 3g05 n THR 199 N 1.85 1.98 -3.69 -0.18 -1.04 -1.21 -4.67 114.28 107.31 3g05 n THR 199 Ca 0.21 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 3g05 n THR 199 Cb 0.54 -0.52 0.00 0.00 -1.82 0.00 0.00 70.33 68.53 3g05 n THR 199 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3g05 n GLY 200 N 1.60 5.11 3.61 3.41 0.00 -1.26 0.16 105.19 117.81 3g05 n GLY 200 Ca 0.13 -2.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.00 3g05 n GLY 200 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g05 s THR 201 N -0.68 0.00 0.42 2.61 2.01 0.35 -4.93 115.64 115.42 3g05 s THR 201 Ca 0.00 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 61.93 3g05 s THR 201 Cb 0.00 -1.00 0.10 0.00 0.01 0.00 0.00 72.50 71.61 3g05 s THR 201 CO 0.00 0.00 0.52 -0.81 -0.69 0.00 0.00 174.62 173.64 3g05 n PRO 202 N 1.90 -0.81 -3.88 4.92 -0.04 -1.26 -1.63 135.00 134.20 3g05 n PRO 202 Ca -0.14 -0.81 -0.35 0.00 -0.04 0.00 0.00 63.50 62.16 3g05 n PRO 202 Cb 0.56 -0.58 -0.08 0.00 -0.04 0.00 0.00 33.50 33.36 3g05 n PRO 202 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3g05 s PRO 203 N -4.15 3.87 0.03 0.54 0.04 -1.26 -3.13 135.00 130.95 3g05 s PRO 203 Ca 0.30 -0.24 -0.30 0.00 0.04 0.00 0.00 61.00 60.80 3g05 s PRO 203 Cb -0.01 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 3g05 s PRO 203 CO 0.22 0.44 1.12 1.03 0.04 0.00 0.00 177.00 179.85 3g05 s ARG 204 N -0.07 4.47 -0.10 4.56 0.52 -0.18 -4.57 118.95 123.58 3g05 s ARG 204 Ca 0.09 1.64 0.03 0.00 -0.52 0.00 0.00 55.73 56.97 3g05 s ARG 204 Cb -0.12 -3.40 -0.01 0.00 0.52 0.00 0.00 34.95 31.94 3g05 s ARG 204 CO 0.00 -0.20 -0.21 0.42 0.02 0.00 0.00 175.30 175.33 3g05 s ILE 205 N 1.14 2.38 0.18 1.52 1.09 0.89 -1.77 121.20 126.63 3g05 s ILE 205 Ca 0.56 -0.91 -0.32 0.00 -1.10 0.00 0.00 60.65 58.88 3g05 s ILE 205 Cb -0.26 -1.93 -0.12 0.00 -1.06 0.00 0.00 42.46 39.09 3g05 s ILE 205 CO 0.28 0.55 1.76 -0.67 -0.10 0.00 0.00 174.94 176.76 3g05 n ASP 206 N 3.43 3.99 0.28 3.58 -0.08 -0.87 -0.69 116.55 126.20 3g05 n ASP 206 Ca -0.19 1.04 0.16 0.00 -1.51 0.00 0.00 54.79 54.29 3g05 n ASP 206 Cb 0.53 -1.56 0.83 0.00 2.34 0.00 0.00 41.12 43.26 3g05 n ASP 206 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3g05 h ALA 207 N 7.32 1.16 -0.03 -1.67 0.00 0.17 -1.83 119.26 124.38 3g05 h ALA 207 Ca -0.44 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.23 3g05 h ALA 207 Cb 1.21 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.00 3g05 h ALA 207 CO 0.95 0.08 -0.70 0.00 0.00 0.00 0.00 179.25 179.59 3g05 h ARG 208 N 0.00 0.52 -0.08 0.00 -0.00 -1.90 -3.18 114.38 109.74 3g05 h ARG 208 Ca -0.00 -0.52 0.00 0.00 -0.50 0.00 0.00 59.98 58.96 3g05 h ARG 208 Cb 0.30 0.14 0.00 0.00 0.00 0.00 0.00 29.97 30.40 3g05 h ARG 208 CO 0.01 1.16 0.00 0.25 0.00 0.00 0.00 179.97 181.38 3g05 n THR 209 N -4.12 0.00 -4.97 2.04 -2.24 -0.69 -4.69 114.28 99.60 3g05 n THR 209 Ca -0.10 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.36 3g05 n THR 209 Cb 0.71 -0.30 -0.15 0.00 -2.10 0.00 0.00 70.33 68.50 3g05 n THR 209 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3g05 s ILE 210 N -1.68 2.69 -0.36 2.28 1.01 -1.20 -2.02 121.20 121.91 3g05 s ILE 210 Ca 0.00 -0.81 -0.05 0.00 0.00 0.00 0.00 60.65 59.79 3g05 s ILE 210 Cb 0.00 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 3g05 s ILE 210 CO 0.00 0.55 3.03 -0.67 0.00 0.00 0.00 174.94 177.85 3g05 n ASP 211 N 3.20 6.18 0.00 3.58 -0.08 -1.13 -4.79 116.55 123.51 3g05 n ASP 211 Ca -0.18 -2.97 0.00 0.00 -1.51 0.00 0.00 54.79 50.13 3g05 n ASP 211 Cb 0.53 -1.30 0.00 0.00 2.34 0.00 0.00 41.12 42.69 3g05 n ASP 211 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3g05 n PHE 212 N 1.44 0.00 0.24 -0.67 3.72 -1.26 -1.67 117.46 119.26 3g05 n PHE 212 Ca 0.48 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 58.02 3g05 n PHE 212 Cb 0.65 0.00 0.43 0.00 -0.94 0.00 0.00 39.48 39.62 3g05 n PHE 212 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3g05 h SER 213 N 0.00 0.00 0.00 4.37 4.64 -1.99 -3.30 113.55 117.26 3g05 h SER 213 Ca 0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.03 3g05 h SER 213 Cb 0.47 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.50 3g05 h SER 213 CO 0.00 0.04 -2.10 1.33 -0.87 0.00 0.00 176.83 175.23 3g05 n VAL 214 N -3.13 1.11 -1.71 0.95 0.24 -0.67 -4.97 118.33 110.15 3g05 n VAL 214 Ca 0.02 -0.58 -0.38 0.00 -2.04 0.00 0.00 64.34 61.36 3g05 n VAL 214 Cb 0.43 -0.83 0.05 0.00 -1.47 0.00 0.00 33.84 32.02 3g05 n VAL 214 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3g05 n LEU 215 N -2.78 5.32 -4.94 1.34 4.77 -1.25 -5.04 117.00 114.43 3g05 n LEU 215 Ca -0.29 0.89 -0.24 0.00 -0.03 0.00 0.00 56.01 56.34 3g05 n LEU 215 Cb 0.96 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 3g05 n LEU 215 CO 0.28 -1.00 0.28 0.00 -1.33 0.00 0.00 177.39 175.63 3g05 s ALA 216 N -1.36 3.69 0.05 -1.18 0.00 -1.23 -4.88 121.76 116.84 3g05 s ALA 216 Ca 0.76 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.81 3g05 s ALA 216 Cb -0.41 -2.19 -0.02 0.00 0.00 0.00 0.00 23.12 20.50 3g05 s ALA 216 CO 0.45 -0.30 -0.12 1.14 0.00 0.00 0.00 175.76 176.93 3g05 s GLN 217 N -4.53 0.75 -0.19 0.00 -2.07 -1.26 0.02 119.66 112.38 3g05 s GLN 217 Ca 0.46 -0.80 0.01 0.00 -1.82 0.00 0.00 55.36 53.21 3g05 s GLN 217 Cb -0.10 -0.70 0.04 0.00 -1.09 0.00 0.00 33.01 31.16 3g05 s GLN 217 CO 0.38 0.16 -0.13 -1.14 -1.32 0.00 0.00 175.29 173.25 3g05 s GLN 218 N -1.43 2.27 0.64 9.60 0.74 -0.37 -4.96 119.66 126.14 3g05 s GLN 218 Ca -0.03 -0.85 0.01 0.00 0.05 0.00 0.00 55.36 54.55 3g05 s GLN 218 Cb -0.09 -2.44 0.09 0.00 1.10 0.00 0.00 33.01 31.67 3g05 s GLN 218 CO 0.01 -0.37 0.89 -1.01 -0.55 0.00 0.00 175.29 174.26 3g05 s HIS 219 N 1.36 2.01 0.70 1.67 3.76 -1.26 -2.43 115.29 121.11 3g05 s HIS 219 Ca 0.00 -0.25 -0.12 0.00 -0.15 0.00 0.00 55.06 54.55 3g05 s HIS 219 Cb -0.15 -2.80 0.17 0.00 1.11 0.00 0.00 32.58 30.90 3g05 s HIS 219 CO -0.09 -1.33 0.82 0.41 -0.85 0.00 0.00 174.74 173.69 3g05 n GLY 220 N -2.58 -1.82 3.76 -2.22 0.00 -1.26 -4.94 105.19 96.13 3g05 n GLY 220 Ca 0.13 -1.62 -0.37 0.00 0.00 0.00 0.00 46.02 44.16 3g05 n GLY 220 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3g05 s ASP 221 N -3.94 6.53 -0.23 1.61 1.11 -0.32 -5.00 116.67 116.42 3g05 s ASP 221 Ca 0.49 0.62 -0.04 0.00 0.18 0.00 0.00 52.55 53.79 3g05 s ASP 221 Cb -0.02 -2.20 -0.01 0.00 1.07 0.00 0.00 42.92 41.76 3g05 s ASP 221 CO 0.35 0.15 -0.02 0.21 1.18 0.00 0.00 175.17 177.04 3g05 s ASN 222 N 0.09 4.48 0.86 0.27 3.04 -1.26 -2.58 114.94 119.85 3g05 s ASN 222 Ca 0.19 -0.44 -0.12 0.00 0.04 0.00 0.00 52.86 52.53 3g05 s ASN 222 Cb -0.14 -1.77 0.11 0.00 -1.54 0.00 0.00 41.25 37.91 3g05 s ASN 222 CO 0.06 -0.05 1.10 -2.16 -3.04 0.00 0.00 177.10 173.02 3g05 s PRO 223 N 1.49 1.55 -0.24 0.43 0.04 -1.26 -5.11 135.00 131.89 3g05 s PRO 223 Ca 0.05 0.63 -0.18 0.00 0.04 0.00 0.00 61.00 61.54 3g05 s PRO 223 Cb -0.15 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 3g05 s PRO 223 CO -0.02 -1.99 0.50 1.41 0.04 0.00 0.00 177.00 176.93 3g05 s MET 224 N -5.09 4.10 0.77 4.56 1.75 -1.06 -5.04 119.30 119.27 3g05 s MET 224 Ca 0.62 0.31 -0.16 0.00 -1.25 0.00 0.00 55.69 55.21 3g05 s MET 224 Cb -0.16 -3.62 -0.05 0.00 2.84 0.00 0.00 34.83 33.83 3g05 s MET 224 CO 0.55 -0.28 0.26 -2.30 -0.65 0.00 0.00 175.02 172.61 3g05 n PRO 225 N 5.28 0.14 -4.32 4.11 -0.01 -1.26 -4.79 135.00 134.15 3g05 n PRO 225 Ca -0.05 0.08 -0.18 0.00 -0.01 0.00 0.00 63.50 63.34 3g05 n PRO 225 Cb 0.50 -1.63 -0.14 0.00 -0.01 0.00 0.00 33.50 32.22 3g05 n PRO 225 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 175.50 175.57 3g05 s VAL 226 N -2.01 0.73 -0.17 -1.45 1.01 -1.26 -4.86 120.40 112.39 3g05 s VAL 226 Ca 0.60 -0.53 -0.16 0.00 0.00 0.00 0.00 61.98 61.89 3g05 s VAL 226 Cb -0.32 -0.64 -0.13 0.00 0.00 0.00 0.00 36.38 35.29 3g05 s VAL 226 CO 0.64 0.11 0.13 0.15 0.00 0.00 0.00 175.10 176.13 3g05 h PHE 227 N 5.65 0.00 -4.33 5.22 3.04 -1.93 -3.46 116.94 121.13 3g05 h PHE 227 Ca -0.32 0.00 -0.48 0.00 3.98 0.00 0.00 57.97 61.15 3g05 h PHE 227 Cb 1.18 0.00 0.11 0.00 2.56 0.00 0.00 35.95 39.80 3g05 h PHE 227 CO 0.45 0.78 0.35 0.45 -2.02 0.00 0.00 178.31 178.31 3g05 s SER 228 N -6.27 4.45 0.12 0.41 0.15 -1.26 -4.88 113.70 106.43 3g05 s SER 228 Ca -0.20 1.18 0.27 0.00 0.70 0.00 0.00 55.95 57.90 3g05 s SER 228 Cb 0.03 -1.87 0.99 0.00 -1.71 0.00 0.00 66.02 63.46 3g05 s SER 228 CO 0.42 -1.98 1.84 0.49 1.20 0.00 0.00 173.24 175.21 3g05 n PHE 229 N -3.42 0.53 0.39 3.44 3.72 -1.26 -2.65 117.46 118.21 3g05 n PHE 229 Ca 0.07 0.15 0.07 0.00 -0.05 0.00 0.00 57.45 57.69 3g05 n PHE 229 Cb 0.57 -0.75 -0.09 0.00 -0.94 0.00 0.00 39.48 38.28 3g05 n PHE 229 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3g05 n MET 230 N -1.93 1.74 -1.62 -1.08 2.81 -1.26 -4.99 117.12 110.79 3g05 n MET 230 Ca 0.06 -0.05 -0.39 0.00 -1.81 0.00 0.00 57.70 55.52 3g05 n MET 230 Cb 0.39 -1.21 0.04 0.00 -0.71 0.00 0.00 33.22 31.73 3g05 n MET 230 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3g05 n GLY 231 N 1.47 -0.28 3.47 3.03 0.00 -1.08 -5.03 105.19 106.77 3g05 n GLY 231 Ca 0.01 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 3g05 n GLY 231 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3g05 s ASN 232 N -1.09 3.93 0.19 1.61 2.47 -1.26 -4.93 114.94 115.87 3g05 s ASN 232 Ca 0.72 -0.28 -0.02 0.00 0.42 0.00 0.00 52.86 53.70 3g05 s ASN 232 Cb -0.45 -0.76 0.40 0.00 -1.45 0.00 0.00 41.25 39.00 3g05 s ASN 232 CO 0.50 0.31 1.03 0.00 -3.72 0.00 0.00 177.10 175.22 3g05 n ALA 233 N 2.05 0.25 0.09 1.71 0.00 -1.26 -2.76 120.51 120.58 3g05 n ALA 233 Ca -0.17 0.71 -0.04 0.00 0.00 0.00 0.00 53.44 53.95 3g05 n ALA 233 Cb 0.52 -0.48 -0.02 0.00 0.00 0.00 0.00 19.45 19.48 3g05 n ALA 233 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3g05 h SER 234 N 0.00 -0.23 0.00 0.00 4.64 -1.96 -2.91 113.55 113.09 3g05 h SER 234 Ca 0.36 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3g05 h SER 234 Cb 0.65 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3g05 h SER 234 CO -0.65 -0.15 0.00 1.67 -0.87 0.00 0.00 176.83 176.84 3g05 n GLN 235 N -2.73 0.00 -3.12 4.77 7.27 -1.11 -4.53 117.38 117.94 3g05 n GLN 235 Ca -0.03 0.00 -0.39 0.00 0.07 0.00 0.00 57.00 56.65 3g05 n GLN 235 Cb 0.10 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.69 3g05 n GLN 235 CO 0.00 0.00 0.00 -1.01 0.07 0.00 0.00 177.06 176.12 3g05 s HIS 236 N 0.00 3.82 0.58 3.69 3.76 -1.10 -4.37 115.29 121.67 3g05 s HIS 236 Ca 0.00 1.42 -0.05 0.00 -0.15 0.00 0.00 55.06 56.28 3g05 s HIS 236 Cb 0.00 -2.65 0.08 0.00 1.11 0.00 0.00 32.58 31.12 3g05 s HIS 236 CO 0.00 0.49 0.19 -2.30 -0.85 0.00 0.00 174.74 172.27 3g05 n PRO 237 N 1.97 0.18 -0.93 8.40 -0.02 -1.26 -4.95 135.00 138.40 3g05 n PRO 237 Ca -0.07 -0.32 -0.33 0.00 -2.02 0.00 0.00 63.50 60.76 3g05 n PRO 237 Cb 0.50 -0.93 0.12 0.00 -0.02 0.00 0.00 33.50 33.16 3g05 n PRO 237 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3g05 n GLN 238 N 0.12 -0.12 -4.02 -0.52 7.27 -1.26 -4.93 117.38 113.92 3g05 n GLN 238 Ca 0.03 0.02 -0.31 0.00 0.07 0.00 0.00 57.00 56.81 3g05 n GLN 238 Cb 0.13 -1.99 -0.15 0.00 2.41 0.00 0.00 30.24 30.64 3g05 n GLN 238 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 3g05 s GLN 239 N -3.62 1.87 0.71 3.69 -1.52 -1.26 -4.45 119.66 115.07 3g05 s GLN 239 Ca 0.62 -1.38 -0.09 0.00 -1.95 0.00 0.00 55.36 52.56 3g05 s GLN 239 Cb -0.25 -2.86 0.04 0.00 -0.22 0.00 0.00 33.01 29.72 3g05 s GLN 239 CO 0.62 -0.67 1.05 0.14 -0.25 0.00 0.00 175.29 176.18 3g05 s VAL 240 N 1.14 2.87 0.46 1.09 -7.23 -0.96 -5.02 120.40 112.76 3g05 s VAL 240 Ca -0.03 0.08 0.06 0.00 -1.81 0.00 0.00 61.98 60.28 3g05 s VAL 240 Cb -0.19 -3.24 0.02 0.00 0.56 0.00 0.00 36.38 33.53 3g05 s VAL 240 CO -0.07 -0.29 0.64 -2.16 -0.31 0.00 0.00 175.10 172.91 3g05 s PRO 241 N -5.31 2.73 0.16 4.82 0.04 -1.26 -4.67 135.00 131.50 3g05 s PRO 241 Ca 0.59 -1.13 0.06 0.00 0.04 0.00 0.00 61.00 60.56 3g05 s PRO 241 Cb -0.11 -2.68 -0.04 0.00 0.04 0.00 0.00 34.50 31.71 3g05 s PRO 241 CO 0.48 -0.42 0.02 0.00 0.04 0.00 0.00 177.00 177.12 3g05 s TYR 243 N -1.66 2.75 -0.24 0.00 2.02 0.23 -1.24 117.35 119.21 3g05 s TYR 243 Ca 0.28 -0.14 0.02 0.00 -0.37 0.00 0.00 57.07 56.86 3g05 s TYR 243 Cb -0.10 -1.52 0.06 0.00 -0.40 0.00 0.00 41.96 40.00 3g05 s TYR 243 CO 0.19 0.35 -0.07 0.42 -1.57 0.00 0.00 175.55 174.87 3g05 s ILE 244 N -1.03 1.78 0.36 2.71 1.01 0.10 0.27 121.20 126.40 3g05 s ILE 244 Ca 0.18 -1.38 0.07 0.00 0.00 0.00 0.00 60.65 59.51 3g05 s ILE 244 Cb -0.11 -1.98 -0.07 0.00 0.01 0.00 0.00 42.46 40.31 3g05 s ILE 244 CO 0.09 -0.08 -0.02 0.42 0.00 0.00 0.00 174.94 175.35 3g05 s THR 245 N 1.28 1.92 0.48 2.92 -4.23 -0.68 -3.52 115.64 113.80 3g05 s THR 245 Ca -0.07 -2.08 0.03 0.00 -1.18 0.00 0.00 61.69 58.39 3g05 s THR 245 Cb -0.19 -2.79 -0.03 0.00 1.34 0.00 0.00 72.50 70.82 3g05 s THR 245 CO -0.06 -0.10 0.01 -1.00 -0.54 0.00 0.00 174.62 172.93 3g05 s HIS 246 N -2.80 2.02 0.64 3.99 0.09 -1.26 0.22 115.29 118.19 3g05 s HIS 246 Ca 0.34 -0.91 0.05 0.00 -0.00 0.00 0.00 55.06 54.54 3g05 s HIS 246 Cb 0.07 -1.62 0.11 0.00 -0.00 0.00 0.00 32.58 31.13 3g05 s HIS 246 CO 0.16 0.25 0.89 -0.08 -0.00 0.00 0.00 174.74 175.96 3g05 s THR 247 N -2.86 2.16 0.02 1.30 -1.32 -1.22 -4.26 115.64 109.45 3g05 s THR 247 Ca 0.14 -0.80 -0.28 0.00 -1.21 0.00 0.00 61.69 59.54 3g05 s THR 247 Cb 0.04 -2.35 0.10 0.00 -1.51 0.00 0.00 72.50 68.78 3g05 s THR 247 CO 0.07 0.00 1.24 0.54 -2.21 0.00 0.00 174.62 174.26 3g05 s ASN 248 N -4.70 -0.03 0.23 8.08 2.20 -1.26 -4.26 114.94 115.20 3g05 s ASN 248 Ca 0.64 -0.25 -0.07 0.00 -0.94 0.00 0.00 52.86 52.23 3g05 s ASN 248 Cb -0.06 0.22 0.37 0.00 -2.00 0.00 0.00 41.25 39.78 3g05 s ASN 248 CO 0.41 -0.42 1.29 -0.62 -2.94 0.00 0.00 177.10 174.83 3g05 n GLU 249 N -0.69 -0.08 -0.34 3.55 1.02 -1.25 0.24 120.64 123.09 3g05 n GLU 249 Ca -0.03 1.29 -0.01 0.00 -0.02 0.00 0.00 57.16 58.40 3g05 n GLU 249 Cb 0.60 -1.93 0.12 0.00 -0.02 0.00 0.00 31.44 30.22 3g05 n GLU 249 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3g05 h LYS 250 N 0.00 1.13 0.37 3.49 1.57 -1.94 0.30 116.57 121.49 3g05 h LYS 250 Ca 0.39 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.09 3g05 h LYS 250 Cb 0.60 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3g05 h LYS 250 CO -0.85 0.75 -0.45 1.15 -0.57 0.00 0.00 179.45 179.47 3g05 h THR 251 N 1.17 0.00 -0.22 -0.16 2.02 0.28 0.26 112.91 116.26 3g05 h THR 251 Ca 0.37 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.59 3g05 h THR 251 Cb -0.01 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.36 3g05 h THR 251 CO -0.12 0.00 -0.08 0.45 0.37 0.00 0.00 175.52 176.15 3g05 h HIS 252 N -0.85 -0.17 -1.02 3.16 3.86 -1.11 0.22 115.15 119.24 3g05 h HIS 252 Ca -0.05 0.02 0.28 0.00 -1.16 0.00 0.00 60.37 59.47 3g05 h HIS 252 Cb 0.75 0.11 -0.06 0.00 1.06 0.00 0.00 27.41 29.28 3g05 h HIS 252 CO -0.28 -0.13 0.71 -0.44 0.86 0.00 0.00 177.93 178.65 3g05 h ASP 253 N -0.03 0.17 0.03 2.45 3.32 0.19 0.79 116.42 123.34 3g05 h ASP 253 Ca 0.11 0.03 -0.17 0.00 0.02 0.00 0.00 57.03 57.02 3g05 h ASP 253 Cb 0.20 -0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.77 3g05 h ASP 253 CO -0.25 0.04 -0.70 0.58 -1.72 0.00 0.00 179.24 177.19 3g05 h VAL 254 N 0.16 1.42 -0.99 -1.35 2.07 0.27 -2.54 116.25 115.30 3g05 h VAL 254 Ca 0.52 -2.19 0.01 0.00 0.82 0.00 0.00 66.70 65.87 3g05 h VAL 254 Cb 1.76 2.69 -0.05 0.00 -1.52 0.00 0.00 31.29 34.17 3g05 h VAL 254 CO -0.11 0.64 0.66 0.40 0.02 0.00 0.00 177.57 179.17 3g05 h ILE 255 N -0.10 1.25 0.11 4.57 5.03 0.16 -1.35 117.51 127.18 3g05 h ILE 255 Ca -0.10 -0.46 -0.01 0.00 -0.12 0.00 0.00 64.86 64.18 3g05 h ILE 255 Cb 1.43 -0.20 0.00 0.00 -3.03 0.00 0.00 36.82 35.01 3g05 h ILE 255 CO 0.14 0.24 -0.05 0.03 -0.68 0.00 0.00 178.15 177.83 3g05 h ARG 256 N 1.33 -0.14 0.00 2.37 3.08 -0.25 0.11 114.38 120.89 3g05 h ARG 256 Ca 0.36 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.42 3g05 h ARG 256 Cb -0.15 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 3g05 h ARG 256 CO -0.08 0.28 -0.04 0.77 -1.07 0.00 0.00 179.97 179.83 3g05 h SER 257 N -0.61 0.00 -0.00 7.04 0.02 -1.35 -2.08 113.55 116.56 3g05 h SER 257 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3g05 h SER 257 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 3g05 h SER 257 CO 0.02 0.04 -0.79 0.59 -1.14 0.00 0.00 176.83 175.56 3g05 n ASN 258 N -3.52 0.96 -0.32 3.07 3.02 -0.52 -4.68 115.26 113.27 3g05 n ASN 258 Ca -0.02 -0.98 0.12 0.00 -0.03 0.00 0.00 54.58 53.67 3g05 n ASN 258 Cb 0.14 0.93 0.26 0.00 -0.61 0.00 0.00 39.78 40.51 3g05 n ASN 258 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3g05 h LEU 259 N 0.26 -0.39 0.00 3.41 5.85 -0.05 0.24 115.31 124.64 3g05 h LEU 259 Ca 0.00 0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.97 3g05 h LEU 259 Cb 0.45 0.43 0.00 0.00 0.37 0.00 0.00 40.66 41.90 3g05 h LEU 259 CO 0.00 -0.29 0.00 -0.90 -0.34 0.00 0.00 178.44 176.91 3g05 n ASP 260 N -5.42 0.00 -4.52 1.25 5.75 -1.26 -4.30 116.55 108.04 3g05 n ASP 260 Ca 0.21 0.00 -0.25 0.00 -0.01 0.00 0.00 54.79 54.73 3g05 n ASP 260 Cb 0.68 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.68 3g05 n ASP 260 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3g05 s ARG 261 N -1.05 1.87 0.00 0.11 0.52 0.07 -5.06 118.95 115.41 3g05 s ARG 261 Ca 0.00 -1.49 0.00 0.00 -0.52 0.00 0.00 55.73 53.72 3g05 s ARG 261 Cb 0.00 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.49 3g05 s ARG 261 CO 0.00 0.39 0.00 0.45 0.02 0.00 0.00 175.30 176.16 3g05 n SER 262 N -0.25 0.00 0.07 0.23 2.88 -1.26 -4.77 113.62 110.52 3g05 n SER 262 Ca -0.09 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.34 3g05 n SER 262 Cb 0.57 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.03 3g05 n SER 262 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3g05 h PRO 263 N 0.00 0.35 0.00 -1.46 0.13 -1.92 -3.44 132.00 125.66 3g05 h PRO 263 Ca 0.00 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 3g05 h PRO 263 Cb 0.00 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.22 3g05 h PRO 263 CO 0.00 1.01 0.00 -0.35 -0.23 0.00 0.00 178.00 178.43 3g05 n PRO 278 N -3.75 0.00 -1.19 1.56 -0.04 -1.26 -5.06 135.00 125.26 3g05 n PRO 278 Ca -0.05 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.05 3g05 n PRO 278 Cb 0.78 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.32 3g05 n PRO 278 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3g05 n SER 279 N 0.00 -1.24 -0.05 3.54 2.88 -1.26 -4.64 113.62 112.85 3g05 n SER 279 Ca 0.00 0.55 -0.10 0.00 -1.33 0.00 0.00 58.87 58.00 3g05 n SER 279 Cb 0.00 -1.23 -0.15 0.00 -0.75 0.00 0.00 64.21 62.09 3g05 n SER 279 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3g05 n ILE 280 N -2.58 1.54 0.32 2.46 3.06 -1.17 -2.13 119.36 120.86 3g05 n ILE 280 Ca 0.10 -0.81 0.03 0.00 -2.50 0.00 0.00 62.75 59.57 3g05 n ILE 280 Cb 0.50 -0.88 0.18 0.00 0.54 0.00 0.00 39.64 39.98 3g05 n ILE 280 CO 0.00 0.00 0.00 -1.84 -2.50 0.00 0.00 176.55 172.21 3g05 n GLU 281 N -2.97 0.09 -0.11 9.51 0.00 -1.26 -1.78 120.64 124.12 3g05 n GLU 281 Ca -0.24 0.24 -0.13 0.00 0.00 0.00 0.00 57.16 57.03 3g05 n GLU 281 Cb 1.09 -1.50 -0.13 0.00 0.00 0.00 0.00 31.44 30.90 3g05 n GLU 281 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 3g05 n ASP 282 N -1.31 1.29 0.00 -1.84 -0.08 -1.18 -3.11 116.55 110.31 3g05 n ASP 282 Ca 0.03 -0.07 0.04 0.00 -1.51 0.00 0.00 54.79 53.28 3g05 n ASP 282 Cb 0.06 0.25 0.20 0.00 2.34 0.00 0.00 41.12 43.96 3g05 n ASP 282 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 3g05 n LYS 283 N -2.97 0.13 0.00 -0.67 4.81 -0.73 -3.30 118.16 115.43 3g05 n LYS 283 Ca -0.37 0.18 -0.03 0.00 -0.87 0.00 0.00 58.31 57.22 3g05 n LYS 283 Cb 1.03 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 34.57 3g05 n LYS 283 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3g05 n VAL 284 N -1.23 1.11 0.00 3.15 0.31 -1.00 -4.31 118.33 116.36 3g05 n VAL 284 Ca 0.04 0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.66 3g05 n VAL 284 Cb 0.05 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.24 3g05 n VAL 284 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 3g05 n MET 285 N -3.61 0.00 -0.86 5.55 2.81 -1.18 -0.43 117.12 119.40 3g05 n MET 285 Ca -0.04 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.90 3g05 n MET 285 Cb 0.15 -1.11 0.10 0.00 -0.71 0.00 0.00 33.22 31.66 3g05 n MET 285 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3g05 n ARG 286 N -0.28 0.76 -3.26 0.03 1.74 -1.21 -5.07 116.66 109.38 3g05 n ARG 286 Ca 0.00 -2.45 -0.00 0.00 -0.77 0.00 0.00 57.85 54.63 3g05 n ARG 286 Cb 0.00 -0.86 0.01 0.00 -1.02 0.00 0.00 32.46 30.59 3g05 n ARG 286 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3g05 n PHE 287 N -0.42 -0.80 -2.47 -1.55 3.72 0.43 -5.06 117.46 111.30 3g05 n PHE 287 Ca 0.11 -0.75 -0.22 0.00 -0.05 0.00 0.00 57.45 56.55 3g05 n PHE 287 Cb 0.86 0.36 0.12 0.00 -0.94 0.00 0.00 39.48 39.87 3g05 n PHE 287 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3g05 n ALA 288 N -1.46 -0.05 0.00 4.37 0.00 -1.26 -5.02 120.51 117.09 3g05 n ALA 288 Ca -0.09 -1.78 0.00 0.00 0.00 0.00 0.00 53.44 51.57 3g05 n ALA 288 Cb 0.42 0.24 0.00 0.00 0.00 0.00 0.00 19.45 20.11 3g05 n ALA 288 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3g05 n ASP 289 N -3.04 0.00 -0.63 0.00 9.92 -1.26 -4.28 116.55 117.26 3g05 n ASP 289 Ca 0.15 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.46 3g05 n ASP 289 Cb 0.54 0.00 0.20 0.00 -0.64 0.00 0.00 41.12 41.22 3g05 n ASP 289 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 3g05 n ARG 290 N 0.00 1.64 -4.01 -1.24 -4.01 -1.26 -3.85 116.66 103.93 3g05 n ARG 290 Ca 0.00 -3.13 -0.27 0.00 -1.04 0.00 0.00 57.85 53.41 3g05 n ARG 290 Cb 0.00 -1.65 -0.03 0.00 -3.04 0.00 0.00 32.46 27.74 3g05 n ARG 290 CO 0.00 0.00 0.00 0.27 -3.04 0.00 0.00 177.63 174.86 3g05 n ASN 291 N -1.15 -0.39 -4.44 2.89 6.94 -1.26 -5.08 115.26 112.77 3g05 n ASN 291 Ca 0.21 -1.04 -0.33 0.00 -0.02 0.00 0.00 54.58 53.41 3g05 n ASN 291 Cb 0.76 -2.87 -0.13 0.00 -2.36 0.00 0.00 39.78 35.18 3g05 n ASN 291 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3g05 s GLN 292 N -6.68 3.02 -0.48 -3.83 -2.07 -1.26 -4.50 119.66 103.86 3g05 s GLN 292 Ca 0.06 -0.66 -0.10 0.00 -1.82 0.00 0.00 55.36 52.83 3g05 s GLN 292 Cb -0.03 -2.55 0.12 0.00 -1.09 0.00 0.00 33.01 29.45 3g05 s GLN 292 CO 0.90 0.41 0.37 -1.01 -1.32 0.00 0.00 175.29 174.64 3g05 s HIS 293 N -0.16 3.40 0.00 9.60 0.09 -1.26 -4.86 115.29 122.10 3g05 s HIS 293 Ca -0.00 -1.78 0.00 0.00 -0.00 0.00 0.00 55.06 53.28 3g05 s HIS 293 Cb -0.13 -3.54 0.00 0.00 -0.00 0.00 0.00 32.58 28.90 3g05 s HIS 293 CO 0.03 -1.00 0.00 0.94 -0.00 0.00 0.00 174.74 174.71 3g05 n GLN 294 N 4.96 0.00 -5.02 1.40 7.27 -1.26 -3.42 117.38 121.32 3g05 n GLN 294 Ca -0.09 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.66 3g05 n GLN 294 Cb 0.41 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 32.90 3g05 n GLN 294 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3g05 s ILE 295 N 0.00 2.54 -0.29 1.69 -1.09 0.13 -4.90 121.20 119.28 3g05 s ILE 295 Ca 0.00 -0.85 -0.11 0.00 -2.23 0.00 0.00 60.65 57.46 3g05 s ILE 295 Cb 0.00 -2.01 -0.03 0.00 -1.58 0.00 0.00 42.46 38.83 3g05 s ILE 295 CO 0.00 0.55 0.18 -0.36 -1.23 0.00 0.00 174.94 174.07 3g05 s PHE 296 N 0.25 3.19 -0.62 3.97 0.08 -1.00 -1.68 117.98 122.16 3g05 s PHE 296 Ca -0.13 -0.14 -0.26 0.00 0.12 0.00 0.00 56.93 56.52 3g05 s PHE 296 Cb -0.16 -2.37 0.04 0.00 -0.57 0.00 0.00 43.02 39.95 3g05 s PHE 296 CO 0.07 -0.28 1.10 -0.51 -0.10 0.00 0.00 175.22 175.50 3g05 s LEU 297 N 1.71 3.72 -0.24 -0.37 1.43 0.78 0.33 118.68 126.03 3g05 s LEU 297 Ca 0.06 -0.34 -0.09 0.00 -1.03 0.00 0.00 54.13 52.73 3g05 s LEU 297 Cb -0.16 -2.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 3g05 s LEU 297 CO 0.09 -1.49 0.12 -1.61 0.23 0.00 0.00 176.35 173.69 3g05 s GLU 298 N 4.72 3.91 -0.01 1.70 2.02 0.80 -0.60 118.70 131.23 3g05 s GLU 298 Ca 0.34 -0.35 -0.33 0.00 0.02 0.00 0.00 54.97 54.64 3g05 s GLU 298 Cb -0.11 -3.45 -0.12 0.00 0.10 0.00 0.00 34.13 30.56 3g05 s GLU 298 CO 0.19 -0.03 1.84 -2.30 0.02 0.00 0.00 175.26 174.98 3g05 n PRO 299 N 4.51 2.33 0.08 0.39 -0.02 -1.26 0.34 135.00 141.38 3g05 n PRO 299 Ca -0.15 0.85 0.12 0.00 -2.02 0.00 0.00 63.50 62.30 3g05 n PRO 299 Cb 0.52 -2.71 0.46 0.00 -0.02 0.00 0.00 33.50 31.75 3g05 n PRO 299 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3g05 n GLU 300 N 6.14 0.18 0.00 -0.52 -0.58 -0.78 -4.86 120.64 120.21 3g05 n GLU 300 Ca 0.21 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 57.18 3g05 n GLU 300 Cb 0.32 -1.74 0.00 0.00 -0.57 0.00 0.00 31.44 29.44 3g05 n GLU 300 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3g05 n GLY 301 N 0.88 -0.26 0.09 0.62 0.00 -1.26 -2.53 105.19 102.74 3g05 n GLY 301 Ca 0.05 -0.98 0.12 0.00 0.00 0.00 0.00 46.02 45.21 3g05 n GLY 301 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3g05 h LEU 302 N 0.00 0.00 -2.91 0.99 3.38 -1.92 -3.31 115.31 111.54 3g05 h LEU 302 Ca 0.00 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 3g05 h LEU 302 Cb 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.64 3g05 h LEU 302 CO 0.00 0.07 -0.56 0.35 0.09 0.00 0.00 178.44 178.38 3g05 n THR 303 N -2.36 1.36 -4.32 0.22 -2.24 -1.26 -5.03 114.28 100.65 3g05 n THR 303 Ca 0.02 -2.18 -0.23 0.00 -2.27 0.00 0.00 64.05 59.39 3g05 n THR 303 Cb 0.49 0.16 -0.12 0.00 -2.10 0.00 0.00 70.33 68.76 3g05 n THR 303 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3g05 s SER 304 N -2.64 2.64 0.00 3.42 0.15 -1.25 -5.03 113.70 111.00 3g05 s SER 304 Ca 0.32 -0.80 0.23 0.00 0.70 0.00 0.00 55.95 56.40 3g05 s SER 304 Cb 0.33 -0.15 0.03 0.00 -1.71 0.00 0.00 66.02 64.51 3g05 s SER 304 CO -0.07 -0.00 1.11 0.59 1.20 0.00 0.00 173.24 176.07 3g05 n ASN 305 N 0.56 1.97 -4.74 5.45 3.02 -1.26 -4.58 115.26 115.68 3g05 n ASN 305 Ca -0.15 -1.48 -0.41 0.00 -0.03 0.00 0.00 54.58 52.51 3g05 n ASN 305 Cb 0.56 0.47 -0.03 0.00 -0.61 0.00 0.00 39.78 40.16 3g05 n ASN 305 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3g05 s GLU 306 N -2.49 4.50 -0.12 3.52 2.02 -1.26 0.89 118.70 125.76 3g05 s GLU 306 Ca 0.19 1.86 -0.02 0.00 0.02 0.00 0.00 54.97 57.02 3g05 s GLU 306 Cb 0.18 -3.24 -0.03 0.00 0.10 0.00 0.00 34.13 31.14 3g05 s GLU 306 CO 0.57 -0.07 -0.05 0.42 0.02 0.00 0.00 175.26 176.15 3g05 s ILE 307 N -0.08 3.79 -0.46 -1.63 1.09 0.13 -1.87 121.20 122.18 3g05 s ILE 307 Ca 0.52 -0.42 -0.22 0.00 -1.10 0.00 0.00 60.65 59.43 3g05 s ILE 307 Cb -0.32 -2.61 0.03 0.00 -1.06 0.00 0.00 42.46 38.50 3g05 s ILE 307 CO 0.37 0.54 0.75 -0.47 -0.10 0.00 0.00 174.94 176.02 3g05 s TYR 308 N -0.16 3.00 -0.60 3.97 5.04 0.15 -0.08 117.35 128.68 3g05 s TYR 308 Ca 0.02 0.04 -0.23 0.00 -2.44 0.00 0.00 57.07 54.47 3g05 s TYR 308 Cb -0.13 -3.59 0.05 0.00 0.35 0.00 0.00 41.96 38.64 3g05 s TYR 308 CO 0.03 -0.98 0.94 -1.25 -1.34 0.00 0.00 175.55 172.94 3g05 s PRO 309 N 3.17 3.22 -0.52 4.97 0.04 -1.26 -0.14 135.00 144.47 3g05 s PRO 309 Ca 0.27 -0.55 -0.21 0.00 0.04 0.00 0.00 61.00 60.55 3g05 s PRO 309 Cb -0.13 -4.14 0.05 0.00 0.04 0.00 0.00 34.50 30.32 3g05 s PRO 309 CO 0.21 -1.63 0.74 1.21 0.04 0.00 0.00 177.00 177.57 3g05 s ASN 310 N 3.22 6.28 0.00 6.66 3.04 0.15 -3.61 114.94 130.67 3g05 s ASN 310 Ca 0.26 -0.66 0.00 0.00 0.04 0.00 0.00 52.86 52.50 3g05 s ASN 310 Cb -0.15 -2.35 0.00 0.00 -1.54 0.00 0.00 41.25 37.22 3g05 s ASN 310 CO 0.15 -1.01 0.00 0.61 -3.04 0.00 0.00 177.10 173.81 3g05 n GLY 311 N 5.14 1.33 2.76 1.21 0.00 -1.26 -2.38 105.19 111.99 3g05 n GLY 311 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 3g05 n GLY 311 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3g05 n ILE 312 N 0.00 4.52 -1.51 -0.61 -5.35 -1.24 -4.21 119.36 110.97 3g05 n ILE 312 Ca 0.00 -5.23 -0.29 0.00 -0.27 0.00 0.00 62.75 56.96 3g05 n ILE 312 Cb 0.00 -1.39 0.14 0.00 -1.74 0.00 0.00 39.64 36.65 3g05 n ILE 312 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3g05 s SER 313 N -1.69 3.38 0.21 7.28 0.01 -1.26 -4.20 113.70 117.43 3g05 s SER 313 Ca 0.46 0.96 -0.21 0.00 1.31 0.00 0.00 55.95 58.47 3g05 s SER 313 Cb 0.31 -1.53 0.07 0.00 0.21 0.00 0.00 66.02 65.08 3g05 s SER 313 CO -0.24 -2.63 1.00 -0.89 0.41 0.00 0.00 173.24 170.89 3g05 s THR 314 N -3.26 0.00 0.00 1.44 2.01 -1.21 -3.04 115.64 111.58 3g05 s THR 314 Ca 0.64 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.99 3g05 s THR 314 Cb -0.15 -2.87 0.00 0.00 0.01 0.00 0.00 72.50 69.49 3g05 s THR 314 CO 0.54 0.00 0.02 -1.54 -0.69 0.00 0.00 174.62 172.95 3g05 n SER 315 N -1.24 0.05 -4.51 3.53 3.41 -1.26 -3.09 113.62 110.50 3g05 n SER 315 Ca -0.04 -0.41 -0.42 0.00 -0.26 0.00 0.00 58.87 57.74 3g05 n SER 315 Cb 0.59 0.08 0.01 0.00 -0.26 0.00 0.00 64.21 64.63 3g05 n SER 315 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3g05 n LEU 316 N -0.08 0.91 -4.71 1.04 4.77 -1.26 1.02 117.00 118.69 3g05 n LEU 316 Ca 0.00 0.97 -0.33 0.00 -0.03 0.00 0.00 56.01 56.62 3g05 n LEU 316 Cb 0.08 -1.19 0.12 0.00 -2.33 0.00 0.00 43.42 40.10 3g05 n LEU 316 CO 0.00 -2.36 0.75 -2.84 -1.33 0.00 0.00 177.39 171.60 3g05 s PRO 317 N -1.72 1.73 0.38 3.23 0.02 -1.26 -3.45 135.00 133.93 3g05 s PRO 317 Ca 0.63 1.63 0.16 0.00 0.02 0.00 0.00 61.00 63.44 3g05 s PRO 317 Cb -0.60 -1.80 1.04 0.00 0.02 0.00 0.00 34.50 33.16 3g05 s PRO 317 CO 0.57 -2.12 1.77 0.35 -0.33 0.00 0.00 177.00 177.24 3g05 h PHE 318 N -0.97 0.74 0.18 6.54 3.57 -1.91 0.09 116.94 125.17 3g05 h PHE 318 Ca -0.46 0.03 -0.26 0.00 3.53 0.00 0.00 57.97 60.81 3g05 h PHE 318 Cb 1.28 -0.21 0.02 0.00 2.79 0.00 0.00 35.95 39.83 3g05 h PHE 318 CO 0.49 0.08 -1.19 0.38 -2.23 0.00 0.00 178.31 175.85 3g05 h ASP 319 N 0.45 0.60 -0.72 0.41 3.04 -1.98 0.27 116.42 118.49 3g05 h ASP 319 Ca 0.59 -0.93 0.09 0.00 -3.24 0.00 0.00 57.03 53.54 3g05 h ASP 319 Cb 1.40 -0.19 -0.11 0.00 -1.04 0.00 0.00 39.33 39.38 3g05 h ASP 319 CO -0.32 1.56 -0.51 0.58 -2.04 0.00 0.00 179.24 178.51 3g05 h VAL 320 N -0.16 0.03 -0.43 4.15 2.07 -1.66 0.49 116.25 120.73 3g05 h VAL 320 Ca -0.22 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.36 3g05 h VAL 320 Cb 1.87 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 3g05 h VAL 320 CO 0.18 0.00 0.15 1.56 0.02 0.00 0.00 177.57 179.48 3g05 h GLN 321 N -0.17 0.30 -0.99 1.57 4.20 -0.36 0.23 115.11 119.88 3g05 h GLN 321 Ca 0.17 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.93 3g05 h GLN 321 Cb 0.53 -0.07 -0.07 0.00 0.30 0.00 0.00 27.48 28.17 3g05 h GLN 321 CO -0.78 0.20 0.64 1.98 -0.67 0.00 0.00 178.83 180.20 3g05 h MET 322 N 0.31 1.11 -0.19 1.46 4.05 0.87 0.99 114.93 123.53 3g05 h MET 322 Ca 0.20 -0.07 -0.16 0.00 -0.28 0.00 0.00 59.70 59.40 3g05 h MET 322 Cb 0.20 -0.25 -0.01 0.00 -0.80 0.00 0.00 31.60 30.75 3g05 h MET 322 CO -0.22 0.73 -0.53 0.37 0.23 0.00 0.00 176.91 177.49 3g05 h GLN 323 N 1.14 0.56 -0.37 0.39 4.15 0.20 0.17 115.11 121.35 3g05 h GLN 323 Ca 0.44 -0.35 -0.10 0.00 0.77 0.00 0.00 58.65 59.41 3g05 h GLN 323 Cb 0.21 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 3g05 h GLN 323 CO -0.19 0.95 -0.19 0.82 -1.93 0.00 0.00 178.83 178.29 3g05 h ILE 324 N 0.43 1.27 -0.01 2.39 2.04 0.10 -1.02 117.51 122.72 3g05 h ILE 324 Ca 0.01 -1.27 -0.04 0.00 1.00 0.00 0.00 64.86 64.56 3g05 h ILE 324 Cb 1.08 1.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3g05 h ILE 324 CO 0.10 0.42 -0.16 0.58 0.00 0.00 0.00 178.15 179.09 3g05 h VAL 325 N 0.63 1.56 0.00 1.67 2.07 -0.44 -3.30 116.25 118.43 3g05 h VAL 325 Ca 0.09 -1.86 0.00 0.00 0.82 0.00 0.00 66.70 65.76 3g05 h VAL 325 Cb 0.67 2.74 0.00 0.00 -1.52 0.00 0.00 31.29 33.18 3g05 h VAL 325 CO 0.05 0.50 0.00 0.03 0.02 0.00 0.00 177.57 178.17 3g05 h ARG 326 N -0.57 0.00 0.00 1.57 3.08 -0.59 -0.67 114.38 117.21 3g05 h ARG 326 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3g05 h ARG 326 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 3g05 h ARG 326 CO 0.03 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.59 3g05 h SER 327 N 0.00 0.00 -3.17 7.04 4.64 -1.26 -3.34 113.55 117.46 3g05 h SER 327 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 3g05 h SER 327 Cb 0.63 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.68 3g05 h SER 327 CO 0.00 0.00 -0.29 -0.04 -0.87 0.00 0.00 176.83 175.63 3g05 s MET 328 N -3.46 3.65 0.24 4.77 -1.94 -0.26 -4.86 119.30 117.44 3g05 s MET 328 Ca 0.03 -0.03 -0.31 0.00 -1.71 0.00 0.00 55.69 53.66 3g05 s MET 328 Cb 0.09 -2.86 -0.12 0.00 2.01 0.00 0.00 34.83 33.96 3g05 s MET 328 CO 0.44 0.47 1.67 0.94 -0.01 0.00 0.00 175.02 178.53 3g05 n GLN 329 N 0.19 2.73 0.00 2.03 7.27 -1.26 -0.59 117.38 127.75 3g05 n GLN 329 Ca -0.03 0.98 0.00 0.00 0.07 0.00 0.00 57.00 58.02 3g05 n GLN 329 Cb 0.52 -2.80 0.00 0.00 2.41 0.00 0.00 30.24 30.37 3g05 n GLN 329 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3g05 n GLY 330 N 3.18 2.35 1.46 1.69 0.00 -1.26 -4.80 105.19 107.82 3g05 n GLY 330 Ca 0.13 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 3g05 n GLY 330 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3g05 n MET 331 N 0.00 1.77 0.06 1.61 2.81 0.24 -2.82 117.12 120.79 3g05 n MET 331 Ca 0.00 -1.34 0.02 0.00 -1.81 0.00 0.00 57.70 54.57 3g05 n MET 331 Cb 0.00 -1.58 0.36 0.00 -0.71 0.00 0.00 33.22 31.30 3g05 n MET 331 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3g05 h GLU 332 N 0.68 0.38 -0.02 0.03 3.07 -1.68 -2.18 114.58 114.86 3g05 h GLU 332 Ca 0.23 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 3g05 h GLU 332 Cb 1.70 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.56 3g05 h GLU 332 CO 0.44 0.43 -0.38 0.09 -1.40 0.00 0.00 179.01 178.20 3g05 n ASN 333 N -4.31 2.12 -4.61 1.42 3.02 -1.26 -4.80 115.26 106.85 3g05 n ASN 333 Ca 0.00 -1.56 -0.38 0.00 -0.03 0.00 0.00 54.58 52.62 3g05 n ASN 333 Cb 0.23 0.40 0.05 0.00 -0.61 0.00 0.00 39.78 39.85 3g05 n ASN 333 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g05 n ALA 334 N 0.18 0.10 -2.51 5.41 0.00 -0.82 -4.86 120.51 118.01 3g05 n ALA 334 Ca 0.09 -0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.28 3g05 n ALA 334 Cb 0.47 -2.09 -0.13 0.00 0.00 0.00 0.00 19.45 17.70 3g05 n ALA 334 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3g05 s LYS 335 N -2.74 1.19 -0.34 0.00 1.02 -1.26 -4.93 119.74 112.69 3g05 s LYS 335 Ca 0.76 -1.17 -0.12 0.00 0.02 0.00 0.00 55.97 55.46 3g05 s LYS 335 Cb -0.42 -1.48 -0.01 0.00 -0.52 0.00 0.00 37.83 35.40 3g05 s LYS 335 CO 0.47 0.35 0.22 0.42 -0.92 0.00 0.00 175.35 175.89 3g05 s ILE 336 N -1.11 5.10 0.06 2.17 1.01 -1.26 -2.04 121.20 125.12 3g05 s ILE 336 Ca 0.08 -0.32 -0.19 0.00 0.00 0.00 0.00 60.65 60.21 3g05 s ILE 336 Cb -0.10 -3.64 -0.12 0.00 0.01 0.00 0.00 42.46 38.61 3g05 s ILE 336 CO 0.04 -0.03 1.40 0.58 0.00 0.00 0.00 174.94 176.93 3g05 h VAL 337 N 5.56 1.32 -4.13 2.92 2.07 -1.66 -3.46 116.25 118.87 3g05 h VAL 337 Ca -0.31 -1.21 -0.45 0.00 0.82 0.00 0.00 66.70 65.55 3g05 h VAL 337 Cb 1.15 1.71 -0.28 0.00 -1.52 0.00 0.00 31.29 32.35 3g05 h VAL 337 CO 0.64 0.36 -0.80 -0.13 0.02 0.00 0.00 177.57 177.66 3g05 s ARG 338 N -4.49 1.00 -0.06 1.57 0.52 -0.92 -5.02 118.95 111.55 3g05 s ARG 338 Ca -0.14 -0.53 -0.15 0.00 -0.52 0.00 0.00 55.73 54.39 3g05 s ARG 338 Cb 0.06 -0.98 -0.05 0.00 0.52 0.00 0.00 34.95 34.50 3g05 s ARG 338 CO 0.76 0.26 0.38 -1.25 0.02 0.00 0.00 175.30 175.47 3g05 s PRO 339 N -0.52 4.02 0.80 3.54 0.04 -1.26 -1.01 135.00 140.61 3g05 s PRO 339 Ca 0.04 0.32 -0.16 0.00 0.04 0.00 0.00 61.00 61.25 3g05 s PRO 339 Cb -0.06 -3.29 -0.06 0.00 0.04 0.00 0.00 34.50 31.13 3g05 s PRO 339 CO -0.00 0.52 0.13 0.41 0.04 0.00 0.00 177.00 178.10 3g05 n GLY 340 N 2.37 -2.53 0.87 0.56 0.00 -1.18 -4.75 105.19 100.53 3g05 n GLY 340 Ca -0.13 -0.53 0.01 0.00 0.00 0.00 0.00 46.02 45.37 3g05 n GLY 340 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3g05 n TYR 341 N -2.57 -0.11 -3.72 1.61 4.11 -0.65 -4.79 117.16 111.04 3g05 n TYR 341 Ca 0.06 -0.13 -0.14 0.00 -0.00 0.00 0.00 57.90 57.69 3g05 n TYR 341 Cb 0.52 0.06 -0.09 0.00 -0.00 0.00 0.00 39.34 39.83 3g05 n TYR 341 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3g05 s ALA 342 N -1.22 -0.96 0.05 -3.48 0.00 -0.91 -0.50 121.76 114.75 3g05 s ALA 342 Ca 0.07 0.62 0.06 0.00 0.00 0.00 0.00 51.96 52.70 3g05 s ALA 342 Cb -0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 3g05 s ALA 342 CO -0.00 -0.26 -0.16 0.42 0.00 0.00 0.00 175.76 175.76 3g05 s ILE 343 N -1.02 1.24 -0.19 0.00 1.09 0.41 -0.75 121.20 121.98 3g05 s ILE 343 Ca -0.11 -1.13 -0.07 0.00 -1.10 0.00 0.00 60.65 58.24 3g05 s ILE 343 Cb -0.04 -1.13 -0.04 0.00 -1.06 0.00 0.00 42.46 40.19 3g05 s ILE 343 CO 0.04 -0.01 0.06 -1.61 -0.10 0.00 0.00 174.94 173.32 3g05 s GLU 344 N -1.31 3.95 -0.17 2.79 2.02 -1.10 -3.33 118.70 121.55 3g05 s GLU 344 Ca 0.02 -0.36 -0.07 0.00 0.02 0.00 0.00 54.97 54.59 3g05 s GLU 344 Cb -0.09 -3.22 -0.04 0.00 0.10 0.00 0.00 34.13 30.88 3g05 s GLU 344 CO 0.02 0.23 0.05 0.71 0.02 0.00 0.00 175.26 176.29 3g05 s TYR 345 N 0.48 3.25 0.92 1.61 2.02 0.17 -4.47 117.35 121.33 3g05 s TYR 345 Ca 0.03 0.09 -0.11 0.00 -0.37 0.00 0.00 57.07 56.71 3g05 s TYR 345 Cb -0.13 -2.03 0.14 0.00 -0.40 0.00 0.00 41.96 39.55 3g05 s TYR 345 CO 0.01 0.21 1.10 -0.51 -1.57 0.00 0.00 175.55 174.79 3g05 s ASP 346 N 0.14 3.17 0.00 2.29 -0.00 -1.26 -0.91 116.67 120.09 3g05 s ASP 346 Ca 0.04 1.72 0.00 0.00 -0.00 0.00 0.00 52.55 54.32 3g05 s ASP 346 Cb -0.12 -2.35 0.00 0.00 -0.00 0.00 0.00 42.92 40.45 3g05 s ASP 346 CO 0.01 -2.87 0.00 2.22 -0.00 0.00 0.00 175.17 174.53 3g05 n PHE 347 N -4.05 0.00 -2.53 4.23 1.16 -0.09 -4.84 117.46 111.34 3g05 n PHE 347 Ca 0.08 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.32 3g05 n PHE 347 Cb 0.54 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.37 3g05 n PHE 347 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 3g05 s PHE 348 N 0.00 3.01 -0.19 2.97 0.08 -1.08 -1.26 117.98 121.51 3g05 s PHE 348 Ca 0.00 1.58 -0.29 0.00 0.12 0.00 0.00 56.93 58.34 3g05 s PHE 348 Cb 0.00 -3.08 -0.00 0.00 -0.57 0.00 0.00 43.02 39.37 3g05 s PHE 348 CO 0.00 -0.84 1.15 0.34 -0.10 0.00 0.00 175.22 175.78 3g05 s ASP 349 N -1.93 7.02 0.00 1.36 2.15 0.98 -4.42 116.67 121.84 3g05 s ASP 349 Ca 0.66 1.55 0.05 0.00 0.43 0.00 0.00 52.55 55.24 3g05 s ASP 349 Cb -0.17 -2.54 0.24 0.00 -0.30 0.00 0.00 42.92 40.14 3g05 s ASP 349 CO 0.21 -0.71 0.94 -0.81 -0.17 0.00 0.00 175.17 174.63 3g05 n PRO 350 N 6.42 0.08 0.00 4.34 -0.04 -1.26 -2.85 135.00 141.69 3g05 n PRO 350 Ca 0.13 0.20 0.01 0.00 -0.04 0.00 0.00 63.50 63.80 3g05 n PRO 350 Cb 0.45 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.49 3g05 n PRO 350 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3g05 n ARG 351 N -1.24 0.67 -1.46 0.54 3.00 -1.17 -2.33 116.66 114.68 3g05 n ARG 351 Ca 0.02 0.00 -0.20 0.00 -0.01 0.00 0.00 57.85 57.66 3g05 n ARG 351 Cb 0.03 -1.06 0.09 0.00 0.00 0.00 0.00 32.46 31.52 3g05 n ARG 351 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3g05 n ASP 352 N -0.56 4.72 -4.16 0.55 8.00 -1.13 -4.93 116.55 119.03 3g05 n ASP 352 Ca 0.02 -3.78 -0.25 0.00 0.71 0.00 0.00 54.79 51.50 3g05 n ASP 352 Cb 0.01 -0.59 -0.15 0.00 -0.02 0.00 0.00 41.12 40.37 3g05 n ASP 352 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3g05 s LEU 353 N -3.54 2.03 0.77 0.64 1.43 -0.99 -1.44 118.68 117.58 3g05 s LEU 353 Ca 0.52 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 53.19 3g05 s LEU 353 Cb 0.43 -0.89 0.06 0.00 0.03 0.00 0.00 46.19 45.82 3g05 s LEU 353 CO 0.01 0.21 1.11 -0.54 0.23 0.00 0.00 176.35 177.38 3g05 s LYS 354 N -0.39 2.17 0.00 1.70 1.02 0.21 -4.83 119.74 119.61 3g05 s LYS 354 Ca 0.06 1.33 0.01 0.00 0.02 0.00 0.00 55.97 57.40 3g05 s LYS 354 Cb -0.07 -1.88 0.08 0.00 -0.52 0.00 0.00 37.83 35.45 3g05 s LYS 354 CO -0.01 -1.73 0.32 -0.35 -0.92 0.00 0.00 175.35 172.66 3g05 n PRO 355 N -3.32 0.14 0.00 -1.68 -0.04 -1.26 0.58 135.00 129.42 3g05 n PRO 355 Ca 0.10 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.65 3g05 n PRO 355 Cb 0.52 -1.15 0.01 0.00 -0.04 0.00 0.00 33.50 32.85 3g05 n PRO 355 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3g05 n THR 356 N -0.65 0.00 -0.98 0.52 -2.24 -1.26 -4.70 114.28 104.98 3g05 n THR 356 Ca 0.01 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3g05 n THR 356 Cb 0.00 1.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 3g05 n THR 356 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3g05 n LEU 357 N 0.13 0.30 -4.74 3.22 4.77 0.20 -4.69 117.00 116.19 3g05 n LEU 357 Ca 0.08 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.65 3g05 n LEU 357 Cb 0.40 -0.99 -0.03 0.00 -2.33 0.00 0.00 43.42 40.47 3g05 n LEU 357 CO 0.21 -0.27 0.97 -0.70 -1.33 0.00 0.00 177.39 176.26 3g05 s GLU 358 N -0.55 4.40 0.41 3.23 2.12 -1.25 -2.00 118.70 125.06 3g05 s GLU 358 Ca 0.00 2.02 -0.25 0.00 0.36 0.00 0.00 54.97 57.10 3g05 s GLU 358 Cb 0.00 -3.21 -0.08 0.00 0.26 0.00 0.00 34.13 31.10 3g05 s GLU 358 CO 0.00 -0.23 1.21 0.45 -0.54 0.00 0.00 175.26 176.16 3g05 s SER 359 N 0.33 6.38 0.00 -1.70 0.15 0.21 0.65 113.70 119.73 3g05 s SER 359 Ca 0.56 2.45 0.19 0.00 0.70 0.00 0.00 55.95 59.85 3g05 s SER 359 Cb -0.36 -2.62 1.08 0.00 -1.71 0.00 0.00 66.02 62.41 3g05 s SER 359 CO 0.38 -0.78 1.70 0.29 1.20 0.00 0.00 173.24 176.02 3g05 n LYS 360 N 0.00 1.05 -0.03 5.44 5.02 -0.52 -4.15 118.16 124.98 3g05 n LYS 360 Ca 0.05 -0.08 -0.04 0.00 -2.02 0.00 0.00 58.31 56.22 3g05 n LYS 360 Cb 0.46 -1.30 -0.03 0.00 -0.02 0.00 0.00 35.03 34.14 3g05 n LYS 360 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3g05 n PHE 361 N -0.71 0.00 -4.41 2.13 3.01 -1.26 -4.97 117.46 111.26 3g05 n PHE 361 Ca 0.14 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.29 3g05 n PHE 361 Cb 0.08 -0.24 -0.16 0.00 -0.01 0.00 0.00 39.48 39.15 3g05 n PHE 361 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3g05 s ILE 362 N -2.12 1.76 0.39 4.37 1.01 -1.26 -4.88 121.20 120.47 3g05 s ILE 362 Ca -0.06 -0.78 -0.14 0.00 0.00 0.00 0.00 60.65 59.66 3g05 s ILE 362 Cb 0.02 -1.59 -0.08 0.00 0.01 0.00 0.00 42.46 40.82 3g05 s ILE 362 CO 0.16 0.49 0.81 -1.10 0.00 0.00 0.00 174.94 175.30 3g05 s GLN 363 N 1.06 3.93 -0.33 2.79 1.11 0.21 -3.35 119.66 125.08 3g05 s GLN 363 Ca -0.03 0.67 0.00 0.00 0.01 0.00 0.00 55.36 56.01 3g05 s GLN 363 Cb -0.14 -2.35 0.00 0.00 -1.01 0.00 0.00 33.01 29.51 3g05 s GLN 363 CO -0.05 0.00 0.00 0.41 0.01 0.00 0.00 175.29 175.66 3g05 n GLY 364 N -0.93 0.62 3.49 3.09 0.00 -1.26 -2.16 105.19 108.03 3g05 n GLY 364 Ca 0.04 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 3g05 n GLY 364 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3g05 s LEU 365 N -0.70 3.29 -0.00 0.99 2.96 -1.21 -0.47 118.68 123.53 3g05 s LEU 365 Ca 0.00 -0.14 0.07 0.00 -0.22 0.00 0.00 54.13 53.84 3g05 s LEU 365 Cb 0.00 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.86 3g05 s LEU 365 CO 0.00 0.13 -0.21 -0.36 -1.32 0.00 0.00 176.35 174.59 3g05 s PHE 366 N 0.59 1.87 -0.20 5.38 0.40 -0.12 -0.62 117.98 125.29 3g05 s PHE 366 Ca -0.02 -0.36 -0.02 0.00 -0.60 0.00 0.00 56.93 55.94 3g05 s PHE 366 Cb -0.14 -1.18 0.00 0.00 0.51 0.00 0.00 43.02 42.21 3g05 s PHE 366 CO 0.02 0.00 -0.11 -0.06 0.70 0.00 0.00 175.22 175.78 3g05 s PHE 367 N -0.57 2.88 0.08 0.36 0.40 -0.85 0.34 117.98 120.62 3g05 s PHE 367 Ca 0.08 -1.16 0.06 0.00 -0.60 0.00 0.00 56.93 55.30 3g05 s PHE 367 Cb -0.08 -2.01 -0.03 0.00 0.51 0.00 0.00 43.02 41.41 3g05 s PHE 367 CO -0.00 -0.61 -0.16 0.00 0.70 0.00 0.00 175.22 175.15 3g05 s ALA 368 N 1.30 1.30 0.00 5.36 0.00 -1.14 -4.89 121.76 123.69 3g05 s ALA 368 Ca 0.04 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3g05 s ALA 368 Cb -0.14 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.85 3g05 s ALA 368 CO -0.06 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.32 3g05 n GLY 369 N 1.27 2.70 0.18 0.00 0.00 -1.26 -3.79 105.19 104.29 3g05 n GLY 369 Ca -0.21 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 45.64 3g05 n GLY 369 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3g05 h GLN 370 N 0.00 0.00 0.00 1.61 4.15 -1.82 -2.42 115.11 116.62 3g05 h GLN 370 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3g05 h GLN 370 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3g05 h GLN 370 CO 0.00 0.01 0.00 1.51 -1.93 0.00 0.00 178.83 178.42 3g05 n ILE 371 N -2.96 0.99 1.28 2.39 3.06 -1.25 -0.57 119.36 122.30 3g05 n ILE 371 Ca 0.03 0.28 0.13 0.00 -2.50 0.00 0.00 62.75 60.69 3g05 n ILE 371 Cb 0.54 -1.14 0.35 0.00 0.54 0.00 0.00 39.64 39.93 3g05 n ILE 371 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 3g05 n ASN 372 N -1.85 1.60 0.00 9.51 3.02 -0.91 -2.62 115.26 124.00 3g05 n ASN 372 Ca 0.02 -1.35 0.00 0.00 -0.03 0.00 0.00 54.58 53.22 3g05 n ASN 372 Cb 0.18 0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 3g05 n ASN 372 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g05 n GLY 373 N 1.29 3.29 3.71 7.41 0.00 0.27 -4.26 105.19 116.89 3g05 n GLY 373 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3g05 n GLY 373 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g05 s THR 374 N -2.89 2.37 0.00 2.61 -4.23 -1.23 -4.94 115.64 107.33 3g05 s THR 374 Ca 0.00 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 3g05 s THR 374 Cb 0.00 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.44 3g05 s THR 374 CO 0.00 -0.14 0.51 0.35 -0.54 0.00 0.00 174.62 174.80 3g05 n THR 375 N -3.68 0.00 -1.26 3.99 -2.24 -1.26 -3.99 114.28 105.84 3g05 n THR 375 Ca 0.12 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.60 3g05 n THR 375 Cb 0.52 0.54 0.14 0.00 -2.10 0.00 0.00 70.33 69.43 3g05 n THR 375 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3g05 s GLY 376 N -0.24 1.60 -0.01 3.38 0.00 -1.26 -5.03 107.32 105.77 3g05 s GLY 376 Ca 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 44.72 44.55 3g05 s GLY 376 CO 0.00 0.34 -0.00 -0.97 0.00 0.00 0.00 173.10 172.47 3g05 h TYR 377 N -1.56 0.00 -0.24 1.90 0.05 -1.97 -3.28 116.97 111.87 3g05 h TYR 377 Ca -0.50 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.30 3g05 h TYR 377 Cb 1.29 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.01 3g05 h TYR 377 CO 0.39 0.00 -0.14 0.39 -1.05 0.00 0.00 178.16 177.75 3g05 n GLU 378 N -2.22 -0.11 -0.05 4.88 4.71 -1.26 0.29 120.64 126.88 3g05 n GLU 378 Ca -0.00 0.38 0.22 0.00 -0.01 0.00 0.00 57.16 57.75 3g05 n GLU 378 Cb 0.00 -0.56 0.69 0.00 -1.01 0.00 0.00 31.44 30.56 3g05 n GLU 378 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 3g05 h GLU 379 N 0.00 0.02 0.05 3.49 3.07 -1.92 0.33 114.58 119.62 3g05 h GLU 379 Ca 0.04 -0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 58.65 3g05 h GLU 379 Cb 0.10 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 3g05 h GLU 379 CO -0.23 0.01 -1.34 0.00 -1.40 0.00 0.00 179.01 176.06 3g05 h ALA 380 N 1.69 0.26 -0.84 3.43 0.00 0.42 -2.69 119.26 121.53 3g05 h ALA 380 Ca 0.30 -1.16 0.08 0.00 0.00 0.00 0.00 54.91 54.12 3g05 h ALA 380 Cb 1.15 0.62 -0.11 0.00 0.00 0.00 0.00 17.79 19.46 3g05 h ALA 380 CO -0.01 0.79 -0.47 0.00 0.00 0.00 0.00 179.25 179.56 3g05 n ALA 381 N -3.18 -0.48 0.07 0.00 0.00 0.16 -0.11 120.51 116.97 3g05 n ALA 381 Ca -0.29 0.73 -0.12 0.00 0.00 0.00 0.00 53.44 53.77 3g05 n ALA 381 Cb 0.78 -0.15 -0.05 0.00 0.00 0.00 0.00 19.45 20.03 3g05 n ALA 381 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g05 h ALA 382 N 0.52 -0.21 -0.94 0.00 0.00 -0.48 -2.61 119.26 115.55 3g05 h ALA 382 Ca 0.16 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.20 3g05 h ALA 382 Cb 0.37 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.32 3g05 h ALA 382 CO -0.79 -0.65 0.60 1.96 0.00 0.00 0.00 179.25 180.36 3g05 h GLN 383 N -0.27 0.78 0.21 0.00 4.20 -0.64 -2.59 115.11 116.79 3g05 h GLN 383 Ca 0.04 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3g05 h GLN 383 Cb 0.31 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3g05 h GLN 383 CO -0.11 0.52 -0.10 0.78 -0.67 0.00 0.00 178.83 179.24 3g05 h GLY 384 N 0.80 -0.29 -0.99 3.46 0.00 -0.15 0.20 103.07 106.10 3g05 h GLY 384 Ca 0.47 0.11 0.13 0.00 0.00 0.00 0.00 47.33 48.04 3g05 h GLY 384 CO -0.23 -0.10 -0.46 -2.00 0.00 0.00 0.00 176.54 173.74 3g05 h LEU 385 N -0.53 -1.71 -0.47 3.11 6.46 -1.15 1.54 115.31 122.56 3g05 h LEU 385 Ca -0.03 0.32 -0.17 0.00 -0.12 0.00 0.00 57.88 57.88 3g05 h LEU 385 Cb 0.40 0.83 -0.01 0.00 -0.73 0.00 0.00 40.66 41.15 3g05 h LEU 385 CO 0.05 -0.27 -0.71 0.25 -0.62 0.00 0.00 178.44 177.14 3g05 h LEU 386 N -0.00 0.36 -0.60 2.25 5.85 -1.42 0.03 115.31 121.78 3g05 h LEU 386 Ca 0.28 -0.24 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 3g05 h LEU 386 Cb 0.53 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3g05 h LEU 386 CO -0.97 0.96 -0.01 0.00 -0.34 0.00 0.00 178.44 178.08 3g05 h ALA 387 N 1.03 0.81 0.27 1.25 0.00 0.19 -0.16 119.26 122.65 3g05 h ALA 387 Ca -0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3g05 h ALA 387 Cb 1.27 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3g05 h ALA 387 CO 0.12 0.66 -0.13 0.78 0.00 0.00 0.00 179.25 180.67 3g05 h GLY 388 N 0.96 -0.38 0.00 0.00 0.00 0.22 0.26 103.07 104.14 3g05 h GLY 388 Ca 0.17 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3g05 h GLY 388 CO 0.03 -0.14 0.00 -0.10 0.00 0.00 0.00 176.54 176.33 3g05 n LEU 389 N -5.20 0.00 0.27 3.11 7.94 -0.03 -0.14 117.00 122.95 3g05 n LEU 389 Ca -0.10 0.95 0.16 0.00 -1.11 0.00 0.00 56.01 55.91 3g05 n LEU 389 Cb 0.20 -0.45 0.69 0.00 0.53 0.00 0.00 43.42 44.40 3g05 n LEU 389 CO 0.34 -0.45 0.97 0.78 -1.11 0.00 0.00 177.39 177.93 3g05 h ASN 390 N 0.00 0.00 0.79 1.96 -0.26 -0.93 -0.07 115.58 117.08 3g05 h ASN 390 Ca 0.00 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.70 3g05 h ASN 390 Cb 0.00 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.27 3g05 h ASN 390 CO 0.00 0.05 -0.38 0.00 -1.06 0.00 0.00 177.43 176.04 3g05 h ALA 391 N 1.95 -1.07 -0.06 -0.83 0.00 -0.20 -2.37 119.26 116.68 3g05 h ALA 391 Ca -0.00 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.69 3g05 h ALA 391 Cb 0.50 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 3g05 h ALA 391 CO 0.01 -1.01 -0.39 0.00 0.00 0.00 0.00 179.25 177.85 3g05 h ALA 392 N -1.18 -0.79 -0.50 0.00 0.00 0.12 -0.21 119.26 116.71 3g05 h ALA 392 Ca -0.11 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.80 3g05 h ALA 392 Cb 0.83 0.87 -0.06 0.00 0.00 0.00 0.00 17.79 19.43 3g05 h ALA 392 CO 0.18 -0.92 -0.29 0.54 0.00 0.00 0.00 179.25 178.76 3g05 n ARG 393 N -4.63 -0.22 -0.34 0.00 5.12 -0.41 0.38 116.66 116.57 3g05 n ARG 393 Ca -0.05 0.94 0.22 0.00 -1.93 0.00 0.00 57.85 57.03 3g05 n ARG 393 Cb 0.28 -1.39 0.44 0.00 -1.16 0.00 0.00 32.46 30.63 3g05 n ARG 393 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3g05 h LEU 394 N 0.00 0.58 -0.49 0.55 5.85 -0.98 -0.16 115.31 120.65 3g05 h LEU 394 Ca 0.08 0.16 0.09 0.00 0.84 0.00 0.00 57.88 59.06 3g05 h LEU 394 Cb 0.20 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.24 3g05 h LEU 394 CO -0.47 -0.03 0.01 0.77 -0.34 0.00 0.00 178.44 178.39 3g05 h SER 395 N 0.43 -0.18 -0.63 1.25 4.64 0.90 -1.93 113.55 118.03 3g05 h SER 395 Ca 0.70 0.11 -0.41 0.00 -0.47 0.00 0.00 61.79 61.72 3g05 h SER 395 Cb 1.50 0.19 -0.18 0.00 -0.31 0.00 0.00 62.40 63.60 3g05 h SER 395 CO -0.54 -0.06 0.52 -0.67 -0.87 0.00 0.00 176.83 175.22 3g05 n ASP 396 N -5.21 6.14 -1.05 4.97 2.03 -0.42 -4.96 116.55 118.04 3g05 n ASP 396 Ca 0.05 -3.22 -0.02 0.00 0.52 0.00 0.00 54.79 52.12 3g05 n ASP 396 Cb 0.26 -0.97 0.00 0.00 -0.72 0.00 0.00 41.12 39.69 3g05 n ASP 396 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3g05 n ASP 397 N -0.12 -0.42 -0.04 1.67 8.00 -0.73 -4.99 116.55 119.91 3g05 n ASP 397 Ca 0.39 -0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.89 3g05 n ASP 397 Cb 0.73 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 3g05 n ASP 397 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3g05 n LYS 398 N 0.15 3.14 -4.91 -1.24 5.02 -0.20 -4.92 118.16 115.19 3g05 n LYS 398 Ca -0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.98 3g05 n LYS 398 Cb 0.05 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 34.89 3g05 n LYS 398 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3g05 s GLU 399 N 0.93 2.71 0.17 1.97 0.41 -1.26 -4.38 118.70 119.26 3g05 s GLU 399 Ca 0.00 -0.76 -0.33 0.00 -0.41 0.00 0.00 54.97 53.47 3g05 s GLU 399 Cb 0.00 -2.13 -0.16 0.00 -1.78 0.00 0.00 34.13 30.06 3g05 s GLU 399 CO 0.00 0.08 1.14 0.41 -0.49 0.00 0.00 175.26 176.41 3g05 n GLY 400 N 3.77 -0.00 3.77 -1.39 0.00 -1.26 -4.90 105.19 105.17 3g05 n GLY 400 Ca -0.20 0.54 -0.38 0.00 0.00 0.00 0.00 46.02 45.98 3g05 n GLY 400 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3g05 s TRP 401 N -0.21 3.05 -0.35 1.61 -0.00 -1.26 -5.00 118.94 116.78 3g05 s TRP 401 Ca 0.73 1.55 -0.01 0.00 -0.00 0.00 0.00 56.10 58.38 3g05 s TRP 401 Cb -0.87 -3.39 0.12 0.00 -0.00 0.00 0.00 33.47 29.34 3g05 s TRP 401 CO 0.52 -1.33 0.17 0.00 -0.00 0.00 0.00 176.95 176.32 3g05 s ALA 402 N -1.44 1.30 0.10 5.86 0.00 -1.26 -4.69 121.76 121.63 3g05 s ALA 402 Ca 0.58 -1.83 -0.35 0.00 0.00 0.00 0.00 51.96 50.36 3g05 s ALA 402 Cb -0.30 -1.63 -0.15 0.00 0.00 0.00 0.00 23.12 21.04 3g05 s ALA 402 CO 0.38 -1.90 1.54 -2.30 0.00 0.00 0.00 175.76 173.49 3g05 n PRO 403 N 4.37 1.82 -1.69 0.00 -0.02 -1.26 -4.91 135.00 133.31 3g05 n PRO 403 Ca 0.04 0.66 -0.55 0.00 -2.02 0.00 0.00 63.50 61.63 3g05 n PRO 403 Cb 0.39 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.41 3g05 n PRO 403 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g05 n ALA 404 N 3.53 0.02 0.32 3.55 0.00 -1.26 -4.46 120.51 122.21 3g05 n ALA 404 Ca 0.18 0.38 0.16 0.00 0.00 0.00 0.00 53.44 54.16 3g05 n ALA 404 Cb 0.25 -2.28 0.83 0.00 0.00 0.00 0.00 19.45 18.25 3g05 n ALA 404 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g05 h ARG 405 N 7.39 0.00 0.00 0.00 3.08 -1.84 0.88 114.38 123.88 3g05 h ARG 405 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 3g05 h ARG 405 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 3g05 h ARG 405 CO 0.94 0.00 -1.36 -1.13 -1.07 0.00 0.00 179.97 177.35 3g05 n SER 406 N -2.96 0.56 0.11 7.04 3.41 -1.26 -4.30 113.62 116.21 3g05 n SER 406 Ca -0.01 -0.47 -0.12 0.00 -0.26 0.00 0.00 58.87 58.01 3g05 n SER 406 Cb 0.39 1.31 -0.08 0.00 -0.26 0.00 0.00 64.21 65.57 3g05 n SER 406 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3g05 h GLN 407 N 0.00 -0.31 -2.39 4.33 4.20 0.43 -3.46 115.11 117.91 3g05 h GLN 407 Ca 0.00 0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 3g05 h GLN 407 Cb 0.73 0.07 -0.21 0.00 0.30 0.00 0.00 27.48 28.37 3g05 h GLN 407 CO 0.00 0.06 -0.02 0.00 -0.67 0.00 0.00 178.83 178.19 3g05 s ALA 408 N -4.18 -1.39 0.37 3.87 0.00 -1.01 -4.87 121.76 114.54 3g05 s ALA 408 Ca -0.13 1.28 0.18 0.00 0.00 0.00 0.00 51.96 53.29 3g05 s ALA 408 Cb 0.01 -0.47 1.13 0.00 0.00 0.00 0.00 23.12 23.78 3g05 s ALA 408 CO 0.49 -0.30 1.69 1.88 0.00 0.00 0.00 175.76 179.53 3g05 h TYR 409 N 4.34 0.79 -1.11 0.00 -1.99 -1.90 3.11 116.97 120.22 3g05 h TYR 409 Ca -0.28 0.03 0.35 0.00 2.00 0.00 0.00 58.73 60.83 3g05 h TYR 409 Cb 1.16 -0.22 -0.13 0.00 2.00 0.00 0.00 36.73 39.54 3g05 h TYR 409 CO 0.42 -0.08 0.68 1.25 -0.00 0.00 0.00 178.16 180.42 3g05 h LEU 410 N 0.34 0.41 0.40 3.88 7.12 -1.93 0.16 115.31 125.69 3g05 h LEU 410 Ca 0.70 0.15 -0.02 0.00 0.13 0.00 0.00 57.88 58.84 3g05 h LEU 410 Cb 1.73 0.11 0.00 0.00 -0.53 0.00 0.00 40.66 41.98 3g05 h LEU 410 CO -0.47 -0.12 -0.19 1.23 -0.13 0.00 0.00 178.44 178.77 3g05 h GLY 411 N 0.25 -0.56 0.00 3.75 0.00 0.54 -2.50 103.07 104.56 3g05 h GLY 411 Ca 0.74 0.21 0.00 0.00 0.00 0.00 0.00 47.33 48.27 3g05 h GLY 411 CO -0.49 -0.20 0.00 -0.62 0.00 0.00 0.00 176.54 175.23 3g05 n VAL 412 N -5.23 0.00 -0.13 4.60 0.31 0.18 -1.88 118.33 116.18 3g05 n VAL 412 Ca -0.10 1.32 -0.03 0.00 -0.01 0.00 0.00 64.34 65.51 3g05 n VAL 412 Cb 0.28 -2.07 -0.03 0.00 -0.91 0.00 0.00 33.84 31.10 3g05 n VAL 412 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3g05 n LEU 413 N -1.85 -0.33 -0.22 7.52 7.94 0.31 -0.44 117.00 129.93 3g05 n LEU 413 Ca 0.00 0.83 0.00 0.00 -1.11 0.00 0.00 56.01 55.73 3g05 n LEU 413 Cb 0.00 -0.21 0.23 0.00 0.53 0.00 0.00 43.42 43.97 3g05 n LEU 413 CO 0.00 -0.59 1.23 0.58 -1.11 0.00 0.00 177.39 177.50 3g05 h VAL 414 N 0.00 1.20 0.06 1.96 2.07 -1.44 -2.02 116.25 118.08 3g05 h VAL 414 Ca 0.05 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.20 3g05 h VAL 414 Cb 0.13 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 29.96 3g05 h VAL 414 CO -0.29 0.20 -0.45 -0.78 0.02 0.00 0.00 177.57 176.26 3g05 h ASP 415 N 1.03 -1.38 -1.01 0.57 3.58 -0.01 -2.77 116.42 116.42 3g05 h ASP 415 Ca 0.28 0.15 0.24 0.00 0.42 0.00 0.00 57.03 58.11 3g05 h ASP 415 Cb -0.09 0.52 -0.11 0.00 1.72 0.00 0.00 39.33 41.36 3g05 h ASP 415 CO -0.06 -0.46 0.62 0.44 -2.88 0.00 0.00 179.24 176.90 3g05 h ASP 416 N -0.62 0.61 0.00 2.28 3.32 -0.73 0.28 116.42 121.57 3g05 h ASP 416 Ca 0.00 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3g05 h ASP 416 Cb 0.63 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.19 3g05 h ASP 416 CO -0.27 0.13 0.00 0.18 -1.72 0.00 0.00 179.24 177.56 3g05 n LEU 417 N -4.76 0.00 0.00 1.55 4.77 -0.97 -0.88 117.00 116.71 3g05 n LEU 417 Ca 0.25 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3g05 n LEU 417 Cb 0.75 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 3g05 n LEU 417 CO 0.21 0.00 -0.49 0.00 -1.33 0.00 0.00 177.39 175.78 3g05 h THR 419 N 0.00 0.00 0.00 0.00 2.02 -1.06 -3.42 112.91 110.46 3g05 h THR 419 Ca 0.00 -0.24 -0.33 0.00 0.77 0.00 0.00 66.41 66.61 3g05 h THR 419 Cb 0.98 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.33 3g05 h THR 419 CO 0.00 0.00 -2.34 0.18 0.37 0.00 0.00 175.52 173.73 3g05 n LEU 420 N -4.14 0.00 0.00 2.58 4.77 -0.06 -4.95 117.00 115.21 3g05 n LEU 420 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3g05 n LEU 420 Cb 0.22 0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 3g05 n LEU 420 CO 0.16 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3g05 n GLY 421 N 1.70 0.70 3.55 -0.72 0.00 -0.18 -4.98 105.19 105.26 3g05 n GLY 421 Ca -0.30 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 3g05 n GLY 421 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3g05 s THR 422 N -2.04 0.00 0.34 2.61 -1.32 -0.98 -4.74 115.64 109.51 3g05 s THR 422 Ca 0.00 -0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.22 3g05 s THR 422 Cb 0.00 -0.90 -0.14 0.00 -1.51 0.00 0.00 72.50 69.95 3g05 s THR 422 CO 0.00 -0.00 0.71 1.17 -2.21 0.00 0.00 174.62 174.29 3g05 n LYS 423 N 2.64 0.76 -2.28 7.08 4.81 -1.26 -4.47 118.16 125.44 3g05 n LYS 423 Ca -0.14 0.27 -0.38 0.00 -0.87 0.00 0.00 58.31 57.19 3g05 n LYS 423 Cb 0.56 -1.56 -0.02 0.00 0.02 0.00 0.00 35.03 34.03 3g05 n LYS 423 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 3g05 s GLU 424 N -1.50 4.09 0.75 1.64 2.12 -1.26 -5.03 118.70 119.51 3g05 s GLU 424 Ca 0.62 1.87 -0.15 0.00 0.36 0.00 0.00 54.97 57.68 3g05 s GLU 424 Cb -0.68 -2.72 0.05 0.00 0.26 0.00 0.00 34.13 31.03 3g05 s GLU 424 CO 0.58 -0.30 1.22 -2.14 -0.54 0.00 0.00 175.26 174.08 3g05 s PRO 425 N -2.23 2.01 0.13 4.30 0.02 -1.26 -4.98 135.00 132.99 3g05 s PRO 425 Ca 0.56 1.79 0.13 0.00 0.02 0.00 0.00 61.00 63.50 3g05 s PRO 425 Cb -0.32 -1.81 -0.10 0.00 0.02 0.00 0.00 34.50 32.29 3g05 s PRO 425 CO 0.40 -1.94 1.12 1.88 -0.33 0.00 0.00 177.00 178.12 3g05 h TYR 426 N -0.42 0.00 -0.98 6.54 0.05 -1.98 -3.26 116.97 116.91 3g05 h TYR 426 Ca -0.47 0.00 0.14 0.00 0.05 0.00 0.00 58.73 58.45 3g05 h TYR 426 Cb 1.30 0.00 -0.15 0.00 1.01 0.00 0.00 36.73 38.89 3g05 h TYR 426 CO 0.46 0.72 -0.42 0.00 -1.05 0.00 0.00 178.16 177.87 3g05 h ARG 427 N 0.00 -0.01 -1.00 4.88 3.08 -2.02 0.51 114.38 119.82 3g05 h ARG 427 Ca -0.09 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.99 3g05 h ARG 427 Cb 1.63 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.62 3g05 h ARG 427 CO 0.08 -0.00 0.66 0.52 -1.07 0.00 0.00 179.97 180.15 3g05 h MET 428 N -0.01 1.24 -1.25 0.04 2.86 -1.97 -3.35 114.93 112.50 3g05 h MET 428 Ca 0.31 -0.07 0.40 0.00 -2.06 0.00 0.00 59.70 58.28 3g05 h MET 428 Cb 0.56 -0.28 -0.13 0.00 0.06 0.00 0.00 31.60 31.82 3g05 h MET 428 CO -0.97 0.82 0.80 0.35 1.06 0.00 0.00 176.91 178.97 3g05 h PHE 429 N 1.28 0.57 0.00 -0.22 3.57 -0.01 -0.37 116.94 121.77 3g05 h PHE 429 Ca 0.39 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.85 3g05 h PHE 429 Cb -0.02 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 3g05 h PHE 429 CO -0.00 -0.18 -0.35 1.15 -2.23 0.00 0.00 178.31 176.71 3g05 h THR 430 N 0.14 0.74 0.04 4.41 2.02 -1.73 -1.27 112.91 117.26 3g05 h THR 430 Ca 0.78 -1.54 -0.00 0.00 0.77 0.00 0.00 66.41 66.42 3g05 h THR 430 Cb 2.37 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 70.78 3g05 h THR 430 CO -0.42 0.34 -0.02 0.28 0.37 0.00 0.00 175.52 176.06 3g05 h SER 431 N 0.00 -0.05 -0.71 4.18 0.02 -1.35 -3.35 113.55 112.29 3g05 h SER 431 Ca -0.00 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.07 3g05 h SER 431 Cb 0.97 0.01 -0.13 0.00 0.14 0.00 0.00 62.40 63.39 3g05 h SER 431 CO 0.04 0.21 -0.31 0.03 -1.14 0.00 0.00 176.83 175.66 3g05 h ARG 432 N -0.54 -0.09 0.00 3.45 3.08 -1.66 -0.59 114.38 118.03 3g05 h ARG 432 Ca -0.01 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3g05 h ARG 432 Cb 0.04 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3g05 h ARG 432 CO 0.01 -0.06 0.00 0.00 -1.07 0.00 0.00 179.97 178.85 3g05 n ALA 433 N -3.24 0.00 -0.38 0.04 0.00 -0.48 0.28 120.51 116.74 3g05 n ALA 433 Ca 0.07 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.56 3g05 n ALA 433 Cb 0.37 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.97 3g05 n ALA 433 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3g05 n GLU 434 N 0.00 2.80 -0.03 0.00 0.00 -0.23 -3.45 120.64 119.73 3g05 n GLU 434 Ca 0.00 -2.15 -0.02 0.00 0.00 0.00 0.00 57.16 54.99 3g05 n GLU 434 Cb 0.00 -1.36 -0.01 0.00 0.00 0.00 0.00 31.44 30.08 3g05 n GLU 434 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.13 179.01 3g05 h TYR 435 N 1.45 0.00 -2.45 4.31 -1.99 0.40 -3.44 116.97 115.25 3g05 h TYR 435 Ca 0.00 0.00 -0.34 0.00 2.00 0.00 0.00 58.73 60.39 3g05 h TYR 435 Cb 0.86 0.00 0.19 0.00 2.00 0.00 0.00 36.73 39.78 3g05 h TYR 435 CO 0.23 0.00 -0.40 0.54 -0.00 0.00 0.00 178.16 178.53 3g05 n ARG 436 N -3.38 -2.92 0.00 4.88 1.74 -1.01 -4.78 116.66 111.18 3g05 n ARG 436 Ca -0.03 -0.86 0.00 0.00 -0.77 0.00 0.00 57.85 56.20 3g05 n ARG 436 Cb 0.10 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 3g05 n ARG 436 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3g05 n LEU 437 N -3.10 0.00 0.21 0.55 7.94 -1.22 -4.69 117.00 116.68 3g05 n LEU 437 Ca 0.06 0.00 0.10 0.00 -1.11 0.00 0.00 56.01 55.06 3g05 n LEU 437 Cb 0.50 0.00 0.29 0.00 0.53 0.00 0.00 43.42 44.75 3g05 n LEU 437 CO 0.39 0.00 0.75 -0.03 -1.11 0.00 0.00 177.39 177.38 3g05 h MET 438 N 0.00 0.00 -5.76 1.96 4.05 -1.90 -3.38 114.93 109.91 3g05 h MET 438 Ca 0.00 0.00 -0.34 0.00 -0.28 0.00 0.00 59.70 59.08 3g05 h MET 438 Cb 0.00 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 30.74 3g05 h MET 438 CO 0.00 0.20 0.88 -0.51 0.23 0.00 0.00 176.91 177.71 3g05 s LEU 439 N -6.44 3.21 0.44 3.39 1.43 -1.26 -4.91 118.68 114.55 3g05 s LEU 439 Ca 0.03 -0.87 0.06 0.00 -1.03 0.00 0.00 54.13 52.32 3g05 s LEU 439 Cb 0.08 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.68 3g05 s LEU 439 CO 0.66 -2.57 0.10 -0.13 0.23 0.00 0.00 176.35 174.64 3g05 s ARG 440 N 6.65 2.12 -0.04 1.70 0.52 -1.26 -4.94 118.95 123.70 3g05 s ARG 440 Ca 0.66 -2.05 -0.25 0.00 -0.52 0.00 0.00 55.73 53.57 3g05 s ARG 440 Cb -0.05 -1.79 -0.20 0.00 0.52 0.00 0.00 34.95 33.43 3g05 s ARG 440 CO -0.01 -0.17 1.12 0.93 0.02 0.00 0.00 175.30 177.19 3g05 h GLU 441 N 1.50 -0.06 0.00 3.54 5.08 -1.83 -3.29 114.58 119.52 3g05 h GLU 441 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3g05 h GLU 441 Cb 1.26 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3g05 h GLU 441 CO 0.74 0.49 0.00 -0.40 -1.00 0.00 0.00 179.01 178.83 3g05 n ASP 442 N -4.85 0.00 -0.38 1.42 5.68 -1.26 -2.31 116.55 114.85 3g05 n ASP 442 Ca -0.09 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.20 3g05 n ASP 442 Cb 0.29 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 3g05 n ASP 442 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3g05 n ASN 443 N -0.87 0.00 0.08 -1.12 0.23 -1.24 -4.84 115.26 107.49 3g05 n ASN 443 Ca 0.00 -1.64 0.16 0.00 -0.53 0.00 0.00 54.58 52.57 3g05 n ASN 443 Cb 0.00 -0.13 0.66 0.00 -2.08 0.00 0.00 39.78 38.23 3g05 n ASN 443 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3g05 h ALA 444 N 0.00 2.31 0.78 -2.53 0.00 -1.56 -0.21 119.26 118.05 3g05 h ALA 444 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3g05 h ALA 444 Cb 1.25 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.07 3g05 h ALA 444 CO 0.00 -0.42 -0.37 0.38 0.00 0.00 0.00 179.25 178.84 3g05 h ASP 445 N 0.03 -0.88 -0.90 0.00 2.03 -1.85 0.16 116.42 115.01 3g05 h ASP 445 Ca 0.18 0.02 0.19 0.00 -0.73 0.00 0.00 57.03 56.69 3g05 h ASP 445 Cb 0.67 0.23 -0.17 0.00 -0.83 0.00 0.00 39.33 39.22 3g05 h ASP 445 CO -0.01 -0.54 -0.17 0.18 -1.03 0.00 0.00 179.24 177.68 3g05 n LEU 446 N -5.48 -0.27 0.21 0.15 4.77 -1.05 0.47 117.00 115.79 3g05 n LEU 446 Ca -0.14 1.54 0.09 0.00 -0.03 0.00 0.00 56.01 57.47 3g05 n LEU 446 Cb 0.42 -0.49 0.41 0.00 -2.33 0.00 0.00 43.42 41.43 3g05 n LEU 446 CO 0.34 -1.49 0.76 0.03 -1.33 0.00 0.00 177.39 175.70 3g05 h ARG 447 N 0.00 0.00 0.00 3.23 3.08 -0.75 -3.46 114.38 116.48 3g05 h ARG 447 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.51 3g05 h ARG 447 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.81 3g05 h ARG 447 CO -0.90 0.26 0.00 1.28 -1.07 0.00 0.00 179.97 179.54 3g05 n LEU 448 N -3.40 0.00 -0.18 3.04 4.77 0.18 -4.77 117.00 116.65 3g05 n LEU 448 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.08 3g05 n LEU 448 Cb 0.46 0.01 0.18 0.00 -2.33 0.00 0.00 43.42 41.74 3g05 n LEU 448 CO 0.34 -0.42 0.44 0.41 -1.33 0.00 0.00 177.39 176.84 3g05 n THR 449 N -2.33 -0.22 -0.11 -5.08 -1.04 0.10 -0.50 114.28 105.10 3g05 n THR 449 Ca 0.00 1.14 -0.09 0.00 -2.04 0.00 0.00 64.05 63.05 3g05 n THR 449 Cb 0.00 -1.69 -0.01 0.00 -1.82 0.00 0.00 70.33 66.81 3g05 n THR 449 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3g05 h GLU 450 N 0.00 0.48 0.00 -2.82 5.08 -1.89 0.32 114.58 115.76 3g05 h GLU 450 Ca 0.34 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3g05 h GLU 450 Cb 0.74 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.90 3g05 h GLU 450 CO -0.48 0.42 0.00 0.44 -1.00 0.00 0.00 179.01 178.39 3g05 n ILE 451 N -4.76 0.74 0.05 3.13 -5.35 0.31 -2.21 119.36 111.27 3g05 n ILE 451 Ca -0.01 0.10 -0.11 0.00 -0.27 0.00 0.00 62.75 62.45 3g05 n ILE 451 Cb 0.09 -0.96 -0.08 0.00 -1.74 0.00 0.00 39.64 36.95 3g05 n ILE 451 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 3g05 h GLY 452 N 3.01 -0.21 0.06 3.28 0.00 0.17 -2.84 103.07 106.53 3g05 h GLY 452 Ca 0.00 0.08 0.13 0.00 0.00 0.00 0.00 47.33 47.54 3g05 h GLY 452 CO 0.00 -0.08 0.11 -0.09 0.00 0.00 0.00 176.54 176.48 3g05 h ARG 453 N -0.81 0.22 0.00 4.80 9.65 -0.02 0.51 114.38 128.73 3g05 h ARG 453 Ca -0.02 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 3g05 h ARG 453 Cb 0.53 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 3g05 h ARG 453 CO 0.03 0.15 0.00 0.93 2.80 0.00 0.00 179.97 183.88 3g05 h GLU 454 N 0.23 0.00 0.00 0.20 4.39 -1.55 -2.83 114.58 115.02 3g05 h GLU 454 Ca 0.34 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.03 3g05 h GLU 454 Cb 0.54 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3g05 h GLU 454 CO -0.46 0.00 -0.43 -0.07 -1.16 0.00 0.00 179.01 176.89 3g05 h LEU 455 N 0.00 0.00 0.00 1.33 3.38 0.23 -3.47 115.31 116.79 3g05 h LEU 455 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g05 h LEU 455 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3g05 h LEU 455 CO 0.00 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.17 3g05 n GLY 456 N 1.14 0.76 0.08 0.83 0.00 -0.61 -5.00 105.19 102.39 3g05 n GLY 456 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 3g05 n GLY 456 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3g05 h LEU 457 N 0.00 0.00-10.07 0.99 3.38 -1.59 -3.39 115.31 104.63 3g05 h LEU 457 Ca 0.00 -0.17 -0.53 0.00 0.09 0.00 0.00 57.88 57.27 3g05 h LEU 457 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3g05 h LEU 457 CO 0.00 0.08 -0.40 -0.69 0.09 0.00 0.00 178.44 177.52 3g05 s VAL 458 N -3.16 5.27 0.07 1.22 1.01 -1.25 -4.50 120.40 119.06 3g05 s VAL 458 Ca 0.07 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.52 3g05 s VAL 458 Cb 0.13 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 3g05 s VAL 458 CO 0.70 -0.15 -0.02 1.51 0.00 0.00 0.00 175.10 177.14 3g05 s ASP 459 N -3.27 4.89 0.22 3.32 -4.77 -1.26 -4.92 116.67 110.88 3g05 s ASP 459 Ca 0.36 -0.19 -0.10 0.00 -3.30 0.00 0.00 52.55 49.33 3g05 s ASP 459 Cb -0.11 -1.14 0.33 0.00 -1.09 0.00 0.00 42.92 40.91 3g05 s ASP 459 CO 0.29 0.20 1.66 0.44 0.70 0.00 0.00 175.17 178.46 3g05 h ASP 460 N 3.70 -0.25 -0.62 2.11 3.32 -1.98 1.44 116.42 124.14 3g05 h ASP 460 Ca -0.48 0.16 0.18 0.00 0.02 0.00 0.00 57.03 56.91 3g05 h ASP 460 Cb 1.17 0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.96 3g05 h ASP 460 CO 0.58 -0.11 0.54 -0.08 -1.72 0.00 0.00 179.24 178.44 3g05 h GLU 461 N 0.13 0.00 0.00 3.56 4.22 -2.00 -2.29 114.58 118.20 3g05 h GLU 461 Ca 0.34 0.00 -0.38 0.00 0.08 0.00 0.00 59.36 59.40 3g05 h GLU 461 Cb 0.56 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 3g05 h GLU 461 CO -0.54 0.00 -2.27 -2.13 -2.18 0.00 0.00 179.01 171.89 3g05 n ARG 462 N -3.96 0.57 -0.07 1.92 0.63 0.44 -3.71 116.66 112.48 3g05 n ARG 462 Ca 0.12 0.25 -0.02 0.00 -0.92 0.00 0.00 57.85 57.28 3g05 n ARG 462 Cb 0.77 -1.47 -0.02 0.00 0.45 0.00 0.00 32.46 32.20 3g05 n ARG 462 CO 0.00 0.00 0.00 1.87 -2.51 0.00 0.00 177.63 176.99 3g05 n TRP 463 N -4.28 -0.07 -0.02 -0.14 -0.00 0.20 0.72 117.44 113.85 3g05 n TRP 463 Ca -0.47 0.20 -0.01 0.00 -0.00 0.00 0.00 57.50 57.23 3g05 n TRP 463 Cb 0.82 -0.44 -0.00 0.00 -0.00 0.00 0.00 31.31 31.68 3g05 n TRP 463 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3g05 n ALA 464 N -2.93 -0.03 -0.20 5.87 0.00 -0.92 -0.58 120.51 121.72 3g05 n ALA 464 Ca 0.00 0.04 -0.09 0.00 0.00 0.00 0.00 53.44 53.39 3g05 n ALA 464 Cb 0.04 0.02 0.02 0.00 0.00 0.00 0.00 19.45 19.53 3g05 n ALA 464 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3g05 h ARG 465 N 0.00 1.02 0.05 0.00 9.65 0.21 -2.63 114.38 122.68 3g05 h ARG 465 Ca 0.01 -0.33 0.03 0.00 -1.10 0.00 0.00 59.98 58.59 3g05 h ARG 465 Cb 0.02 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.47 3g05 h ARG 465 CO -0.05 1.01 -0.27 0.35 2.80 0.00 0.00 179.97 183.82 3g05 h PHE 466 N 0.91 -0.73 -0.71 2.20 3.57 0.22 0.45 116.94 122.85 3g05 h PHE 466 Ca 0.16 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 3g05 h PHE 466 Cb 0.56 0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.58 3g05 h PHE 466 CO 0.04 -0.37 0.30 -0.91 -2.23 0.00 0.00 178.31 175.14 3g05 h ASN 467 N -0.44 0.94 -0.48 0.41 2.35 -1.38 0.42 115.58 117.40 3g05 h ASN 467 Ca 0.05 -0.13 0.07 0.00 -0.55 0.00 0.00 56.30 55.74 3g05 h ASN 467 Cb 0.50 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 38.57 3g05 h ASN 467 CO -0.20 0.83 0.16 -0.08 -1.65 0.00 0.00 177.43 176.49 3g05 h GLU 468 N 1.01 0.32 -0.02 0.81 4.81 -0.97 0.24 114.58 120.78 3g05 h GLU 468 Ca 0.24 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3g05 h GLU 468 Cb 0.17 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 3g05 h GLU 468 CO -0.02 0.21 0.00 -0.22 -0.73 0.00 0.00 179.01 178.25 3g05 h LYS 469 N 0.33 0.03 -0.06 1.92 3.64 -0.25 0.17 116.57 122.35 3g05 h LYS 469 Ca 0.23 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.62 3g05 h LYS 469 Cb 0.25 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 3g05 h LYS 469 CO -0.24 0.23 -0.38 1.25 -2.27 0.00 0.00 179.45 178.04 3g05 h LEU 470 N -0.19 -1.18 -0.23 5.20 5.85 0.45 0.15 115.31 125.36 3g05 h LEU 470 Ca 0.01 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 3g05 h LEU 470 Cb 0.22 0.46 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 3g05 h LEU 470 CO -0.00 -0.35 0.14 -0.33 -0.34 0.00 0.00 178.44 177.57 3g05 h GLU 471 N -0.43 0.31 -1.08 1.25 4.39 -0.60 -1.34 114.58 117.08 3g05 h GLU 471 Ca 0.02 -0.03 0.42 0.00 0.34 0.00 0.00 59.36 60.11 3g05 h GLU 471 Cb 0.48 -0.07 -0.15 0.00 -0.10 0.00 0.00 28.75 28.91 3g05 h GLU 471 CO -0.28 0.25 0.64 0.09 -1.16 0.00 0.00 179.01 178.54 3g05 n ASN 472 N -4.90 0.27 0.05 1.42 3.02 0.61 -0.91 115.26 114.83 3g05 n ASN 472 Ca -0.03 1.45 -0.22 0.00 -0.03 0.00 0.00 54.58 55.76 3g05 n ASN 472 Cb 0.05 -0.71 -0.15 0.00 -0.61 0.00 0.00 39.78 38.36 3g05 n ASN 472 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3g05 h ILE 473 N 0.00 1.26 0.00 2.41 5.03 0.41 -3.07 117.51 123.55 3g05 h ILE 473 Ca 0.81 -2.51 0.00 0.00 -0.12 0.00 0.00 64.86 63.04 3g05 h ILE 473 Cb 2.33 2.97 0.00 0.00 -3.03 0.00 0.00 36.82 39.09 3g05 h ILE 473 CO -0.60 0.74 0.00 1.21 -0.68 0.00 0.00 178.15 178.81 3g05 n GLU 474 N -3.95 0.00 0.00 2.37 4.07 -0.08 -0.37 120.64 122.68 3g05 n GLU 474 Ca -0.19 0.14 0.00 0.00 -0.06 0.00 0.00 57.16 57.05 3g05 n GLU 474 Cb 0.91 -0.71 0.00 0.00 -0.06 0.00 0.00 31.44 31.58 3g05 n GLU 474 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 3g05 n ARG 475 N -0.35 0.00 0.11 5.31 0.63 -0.93 0.19 116.66 121.62 3g05 n ARG 475 Ca 0.00 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.91 3g05 n ARG 475 Cb 0.00 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 32.91 3g05 n ARG 475 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 3g05 h GLU 476 N 0.00 0.00 0.25 -0.14 4.57 -0.88 -2.88 114.58 115.50 3g05 h GLU 476 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 3g05 h GLU 476 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3g05 h GLU 476 CO 0.00 0.72 -0.12 0.00 -1.18 0.00 0.00 179.01 178.42 3g05 h ARG 477 N 0.00 -0.33 -0.04 1.92 2.47 0.50 -3.04 114.38 115.86 3g05 h ARG 477 Ca -0.01 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 3g05 h ARG 477 Cb 1.49 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 29.88 3g05 h ARG 477 CO 0.09 0.03 -0.02 1.04 0.56 0.00 0.00 179.97 181.67 3g05 n GLN 478 N -5.02 -0.02 0.00 0.04 1.13 -1.02 0.10 117.38 112.59 3g05 n GLN 478 Ca -0.08 0.75 0.00 0.00 -1.94 0.00 0.00 57.00 55.73 3g05 n GLN 478 Cb 0.26 -1.12 0.00 0.00 0.11 0.00 0.00 30.24 29.49 3g05 n GLN 478 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 3g05 n ARG 479 N -2.84 0.00 -0.01 -1.09 0.63 -1.09 0.52 116.66 112.79 3g05 n ARG 479 Ca 0.00 0.27 0.13 0.00 -0.92 0.00 0.00 57.85 57.33 3g05 n ARG 479 Cb 0.01 -1.53 0.34 0.00 0.45 0.00 0.00 32.46 31.72 3g05 n ARG 479 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3g05 n LEU 480 N -1.25 2.18 -0.09 6.15 4.77 0.28 -3.78 117.00 125.26 3g05 n LEU 480 Ca 0.00 -0.74 -0.17 0.00 -0.03 0.00 0.00 56.01 55.07 3g05 n LEU 480 Cb 0.03 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 3g05 n LEU 480 CO 0.00 0.37 -1.10 0.29 -1.33 0.00 0.00 177.39 175.62 3g05 n LYS 481 N 0.70 0.39 0.00 3.23 4.01 0.18 -0.60 118.16 126.07 3g05 n LYS 481 Ca 0.17 0.15 0.00 0.00 -0.51 0.00 0.00 58.31 58.12 3g05 n LYS 481 Cb 0.46 -1.19 0.00 0.00 -0.51 0.00 0.00 35.03 33.79 3g05 n LYS 481 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 3g05 n SER 482 N -3.59 0.00 -3.15 4.39 7.64 -0.24 -4.17 113.62 114.50 3g05 n SER 482 Ca -0.34 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.58 3g05 n SER 482 Cb 0.77 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.96 3g05 n SER 482 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3g05 s THR 483 N -0.36 -0.97 0.33 0.44 2.01 -1.25 -4.93 115.64 110.91 3g05 s THR 483 Ca 0.00 0.00 0.05 0.00 0.31 0.00 0.00 61.69 62.05 3g05 s THR 483 Cb 0.00 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.45 3g05 s THR 483 CO 0.00 0.00 0.03 0.26 -0.69 0.00 0.00 174.62 174.22 3g05 s TRP 484 N 2.86 2.03 -0.20 4.92 0.52 -1.26 -0.47 118.94 127.34 3g05 s TRP 484 Ca 0.19 -0.88 0.01 0.00 0.02 0.00 0.00 56.10 55.45 3g05 s TRP 484 Cb -0.14 -1.31 0.03 0.00 -1.15 0.00 0.00 33.47 30.89 3g05 s TRP 484 CO -0.21 0.11 -0.18 0.14 0.02 0.00 0.00 176.95 176.83 3g05 s VAL 485 N -3.18 2.14 -0.23 4.03 -7.23 -0.41 -4.94 120.40 110.58 3g05 s VAL 485 Ca 0.35 -1.04 -0.26 0.00 -1.81 0.00 0.00 61.98 59.22 3g05 s VAL 485 Cb 0.08 -1.97 -0.00 0.00 0.56 0.00 0.00 36.38 35.05 3g05 s VAL 485 CO 0.15 0.43 0.89 0.42 -0.31 0.00 0.00 175.10 176.68 3g05 s THR 486 N 1.27 4.79 -0.86 5.32 -4.23 -1.26 -3.45 115.64 117.21 3g05 s THR 486 Ca 0.03 1.71 0.00 0.00 -1.18 0.00 0.00 61.69 62.24 3g05 s THR 486 Cb -0.14 -4.17 0.00 0.00 1.34 0.00 0.00 72.50 69.52 3g05 s THR 486 CO -0.11 -0.10 0.07 -0.81 -0.54 0.00 0.00 174.62 173.13 3g05 n PRO 487 N 6.05 0.00 0.00 3.99 -0.04 -1.26 -4.24 135.00 139.50 3g05 n PRO 487 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3g05 n PRO 487 Cb 0.47 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 3g05 n PRO 487 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3g05 n SER 488 N -0.38 0.00 -0.88 3.54 7.64 -1.26 -4.83 113.62 117.45 3g05 n SER 488 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 3g05 n SER 488 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 3g05 n SER 488 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3g05 n ALA 489 N -3.00 -2.88 0.00 -0.43 0.00 -1.26 -3.69 120.51 109.26 3g05 n ALA 489 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3g05 n ALA 489 Cb 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3g05 n ALA 489 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3g05 n GLU 490 N -2.85 0.00 -1.77 0.00 4.07 -1.26 -2.16 120.64 116.67 3g05 n GLU 490 Ca -0.01 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.75 3g05 n GLU 490 Cb 0.59 0.00 0.05 0.00 -0.06 0.00 0.00 31.44 32.02 3g05 n GLU 490 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3g05 n ALA 491 N 0.00 6.07 0.33 4.31 0.00 -1.26 -4.42 120.51 125.54 3g05 n ALA 491 Ca 0.00 -3.85 0.03 0.00 0.00 0.00 0.00 53.44 49.62 3g05 n ALA 491 Cb 0.00 -1.50 0.16 0.00 0.00 0.00 0.00 19.45 18.11 3g05 n ALA 491 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g05 n ALA 492 N -0.70 1.65 -1.06 0.00 0.00 -0.92 -2.68 120.51 116.79 3g05 n ALA 492 Ca 0.54 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.95 3g05 n ALA 492 Cb 0.55 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.91 3g05 n ALA 492 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g05 n ALA 493 N -1.07 0.00 -0.06 0.00 0.00 -1.26 -3.85 120.51 114.27 3g05 n ALA 493 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.50 3g05 n ALA 493 Cb 0.02 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.52 3g05 n ALA 493 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3g05 n GLU 494 N -0.31 -0.01 0.08 0.00 2.13 -1.19 -1.79 120.64 119.54 3g05 n GLU 494 Ca 0.00 0.27 -0.12 0.00 0.66 0.00 0.00 57.16 57.97 3g05 n GLU 494 Cb 0.00 -0.42 -0.08 0.00 0.27 0.00 0.00 31.44 31.21 3g05 n GLU 494 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3g05 h VAL 495 N 0.00 0.89 0.00 6.31 2.07 -1.72 -3.35 116.25 120.45 3g05 h VAL 495 Ca 0.10 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.69 3g05 h VAL 495 Cb 0.20 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3g05 h VAL 495 CO -0.17 0.20 0.00 0.59 0.02 0.00 0.00 177.57 178.21 3g05 n ASN 496 N -4.99 0.00 0.02 0.57 4.13 -0.74 -1.24 115.26 113.01 3g05 n ASN 496 Ca -0.08 -0.29 -0.10 0.00 1.68 0.00 0.00 54.58 55.79 3g05 n ASN 496 Cb 0.26 -0.14 -0.13 0.00 -1.54 0.00 0.00 39.78 38.23 3g05 n ASN 496 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3g05 h ALA 497 N 3.03 0.54 -0.06 5.41 0.00 -1.69 -3.37 119.26 123.13 3g05 h ALA 497 Ca 0.00 -1.23 -0.14 0.00 0.00 0.00 0.00 54.91 53.54 3g05 h ALA 497 Cb 0.08 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3g05 h ALA 497 CO 0.00 1.39 -0.59 0.45 0.00 0.00 0.00 179.25 180.50 3g05 h HIS 498 N 0.01 0.24 -2.08 0.00 3.86 -1.35 -3.46 115.15 112.37 3g05 h HIS 498 Ca -0.19 -0.09 -0.07 0.00 -1.16 0.00 0.00 60.37 58.86 3g05 h HIS 498 Cb 1.94 -0.04 0.03 0.00 1.06 0.00 0.00 27.41 30.39 3g05 h HIS 498 CO 0.01 0.73 0.05 1.28 0.86 0.00 0.00 177.93 180.86 3g05 n LEU 499 N -3.87 0.00 -0.02 2.43 7.99 -1.24 -4.99 117.00 117.30 3g05 n LEU 499 Ca -0.02 -0.21 -0.02 0.00 -0.01 0.00 0.00 56.01 55.75 3g05 n LEU 499 Cb 0.60 -0.16 -0.01 0.00 -0.11 0.00 0.00 43.42 43.75 3g05 n LEU 499 CO 0.44 -0.87 -0.13 0.41 -1.51 0.00 0.00 177.39 175.73 3g05 n THR 500 N -2.53 0.39 -3.95 -5.08 -1.04 -1.26 -4.90 114.28 95.90 3g05 n THR 500 Ca 0.03 0.42 -0.30 0.00 -2.04 0.00 0.00 64.05 62.15 3g05 n THR 500 Cb 0.09 -1.74 -0.14 0.00 -1.82 0.00 0.00 70.33 66.72 3g05 n THR 500 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3g05 s ALA 501 N -2.94 3.29 0.03 2.41 0.00 -1.26 -5.06 121.76 118.22 3g05 s ALA 501 Ca -0.05 -3.24 -0.02 0.00 0.00 0.00 0.00 51.96 48.65 3g05 s ALA 501 Cb 0.01 -2.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.96 3g05 s ALA 501 CO 0.08 -2.00 0.03 -2.30 0.00 0.00 0.00 175.76 171.57 3g05 n PRO 502 N 3.17 0.00 -1.73 0.00 -0.02 -1.26 -4.78 135.00 130.37 3g05 n PRO 502 Ca 0.05 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.11 3g05 n PRO 502 Cb 0.33 -0.09 -0.03 0.00 -0.02 0.00 0.00 33.50 33.68 3g05 n PRO 502 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3g05 s LEU 503 N 0.35 4.27 0.08 2.45 1.43 -1.26 -4.94 118.68 121.05 3g05 s LEU 503 Ca 0.06 2.46 -0.34 0.00 -1.03 0.00 0.00 54.13 55.28 3g05 s LEU 503 Cb -0.07 -3.53 -0.18 0.00 0.03 0.00 0.00 46.19 42.44 3g05 s LEU 503 CO 0.06 -1.16 1.60 0.77 0.23 0.00 0.00 176.35 177.85 3g05 h SER 504 N 11.00 -1.02 0.00 2.29 4.64 -1.98 -3.43 113.55 125.05 3g05 h SER 504 Ca -0.46 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3g05 h SER 504 Cb 1.23 0.30 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 3g05 h SER 504 CO 0.95 -0.62 0.00 0.54 -0.87 0.00 0.00 176.83 176.82 3g05 n ARG 505 N -5.54 0.38 -2.35 4.77 1.74 -1.26 -4.79 116.66 109.61 3g05 n ARG 505 Ca -0.13 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.54 3g05 n ARG 505 Cb 0.42 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.83 3g05 n ARG 505 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3g05 s GLU 506 N 4.25 4.54 -0.14 5.56 2.02 -1.26 -4.18 118.70 129.49 3g05 s GLU 506 Ca 0.00 1.95 -0.10 0.00 0.02 0.00 0.00 54.97 56.84 3g05 s GLU 506 Cb 0.00 -3.15 0.04 0.00 0.10 0.00 0.00 34.13 31.13 3g05 s GLU 506 CO 0.00 0.06 0.35 0.00 0.02 0.00 0.00 175.26 175.69 3g05 s ALA 507 N -1.12 -0.87 0.53 5.21 0.00 -1.22 -5.01 121.76 119.28 3g05 s ALA 507 Ca 0.46 1.17 -0.04 0.00 0.00 0.00 0.00 51.96 53.55 3g05 s ALA 507 Cb -0.35 -0.70 -0.00 0.00 0.00 0.00 0.00 23.12 22.07 3g05 s ALA 507 CO 0.45 -0.21 0.81 -1.54 0.00 0.00 0.00 175.76 175.28 3g05 s SER 508 N 0.80 5.77 0.04 0.00 1.04 -1.26 -1.29 113.70 118.80 3g05 s SER 508 Ca -0.05 0.62 -0.07 0.00 0.48 0.00 0.00 55.95 56.93 3g05 s SER 508 Cb -0.06 -1.74 -0.02 0.00 0.10 0.00 0.00 66.02 64.30 3g05 s SER 508 CO -0.06 -0.88 1.04 0.61 0.98 0.00 0.00 173.24 174.94 3g05 n GLY 509 N -2.38 -2.74 0.36 7.32 0.00 0.38 0.00 105.19 108.14 3g05 n GLY 509 Ca 0.03 0.68 0.18 0.00 0.00 0.00 0.00 46.02 46.90 3g05 n GLY 509 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3g05 h GLU 510 N 0.00 0.00 -0.01 1.61 4.81 -1.13 0.23 114.58 120.08 3g05 h GLU 510 Ca 0.04 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.15 3g05 h GLU 510 Cb 0.10 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.49 3g05 h GLU 510 CO -0.22 0.00 -0.45 -0.44 -0.73 0.00 0.00 179.01 177.17 3g05 h ASP 511 N 0.00 0.42 0.50 1.04 3.32 -0.67 -3.07 116.42 117.97 3g05 h ASP 511 Ca 0.10 -0.75 0.00 0.00 0.02 0.00 0.00 57.03 56.40 3g05 h ASP 511 Cb 0.91 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.33 3g05 h ASP 511 CO -0.00 1.11 0.00 -0.07 -1.72 0.00 0.00 179.24 178.56 3g05 h LEU 512 N -0.23 0.00 0.11 1.55 3.38 0.68 -3.04 115.31 117.77 3g05 h LEU 512 Ca -0.05 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.56 3g05 h LEU 512 Cb 1.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 3g05 h LEU 512 CO 0.09 0.00 -1.95 0.25 0.09 0.00 0.00 178.44 176.92 3g05 h LEU 513 N 0.00 0.38 -2.19 1.67 5.85 -1.44 -3.26 115.31 116.32 3g05 h LEU 513 Ca 0.00 -0.85 0.03 0.00 0.84 0.00 0.00 57.88 57.91 3g05 h LEU 513 Cb 0.25 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 3g05 h LEU 513 CO 0.00 1.76 0.28 0.03 -0.34 0.00 0.00 178.44 180.17 3g05 h ARG 514 N 0.07 0.00 -6.25 1.25 3.08 -1.43 -3.40 114.38 107.70 3g05 h ARG 514 Ca -0.40 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.08 3g05 h ARG 514 Cb 2.04 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 32.07 3g05 h ARG 514 CO 0.09 0.00 1.20 1.03 -1.07 0.00 0.00 179.97 181.23 3g05 s ARG 515 N -4.32 3.76 -0.85 0.04 0.52 -1.23 -4.88 118.95 111.99 3g05 s ARG 515 Ca -0.04 1.90 -0.05 0.00 -0.52 0.00 0.00 55.73 57.02 3g05 s ARG 515 Cb 0.12 -4.11 -0.05 0.00 0.52 0.00 0.00 34.95 31.43 3g05 s ARG 515 CO 0.40 -1.35 2.06 -0.35 0.02 0.00 0.00 175.30 176.08 3g05 n PRO 516 N 7.79 1.97 0.00 3.54 -0.04 -1.26 -2.28 135.00 144.71 3g05 n PRO 516 Ca 0.21 -1.39 0.00 0.00 -0.04 0.00 0.00 63.50 62.28 3g05 n PRO 516 Cb 0.44 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 3g05 n PRO 516 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3g05 n GLU 517 N 4.21 0.00 -4.07 0.54 0.28 -1.26 -5.11 120.64 115.22 3g05 n GLU 517 Ca 0.42 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 57.22 3g05 n GLU 517 Cb 0.13 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 32.84 3g05 n GLU 517 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 3g05 s MET 518 N 0.00 0.72 -0.08 3.44 0.00 -0.97 -5.00 119.30 117.41 3g05 s MET 518 Ca 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 55.69 55.67 3g05 s MET 518 Cb 0.00 -0.80 -0.02 0.00 0.00 0.00 0.00 34.83 34.01 3g05 s MET 518 CO 0.00 -0.12 -0.17 0.95 0.00 0.00 0.00 175.02 175.68 3g05 s THR 519 N 1.06 2.77 0.24 10.11 -4.23 -1.26 -4.85 115.64 119.48 3g05 s THR 519 Ca -0.09 -0.80 -0.02 0.00 -1.18 0.00 0.00 61.69 59.60 3g05 s THR 519 Cb -0.14 -2.10 0.35 0.00 1.34 0.00 0.00 72.50 71.95 3g05 s THR 519 CO -0.01 0.56 1.24 0.00 -0.54 0.00 0.00 174.62 175.87 3g05 n TYR 520 N 2.97 0.41 -0.16 3.99 9.36 -1.26 0.16 117.16 132.63 3g05 n TYR 520 Ca -0.18 0.96 -0.02 0.00 3.32 0.00 0.00 57.90 61.98 3g05 n TYR 520 Cb 0.52 -1.03 0.07 0.00 -0.63 0.00 0.00 39.34 38.26 3g05 n TYR 520 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 3g05 h GLU 521 N 0.00 0.25 0.00 2.98 4.81 -1.97 -0.00 114.58 120.64 3g05 h GLU 521 Ca 0.44 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.56 3g05 h GLU 521 Cb 0.81 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 3g05 h GLU 521 CO -0.78 0.17 -0.43 0.87 -0.73 0.00 0.00 179.01 178.11 3g05 h LYS 522 N 0.26 0.00 -0.10 1.92 6.56 0.12 -3.19 116.57 122.14 3g05 h LYS 522 Ca 0.25 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.71 3g05 h LYS 522 Cb 0.32 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.97 3g05 h LYS 522 CO -0.31 0.43 -0.49 1.25 -2.06 0.00 0.00 179.45 178.27 3g05 h LEU 523 N 0.00 0.28 -2.86 2.94 5.85 0.86 -2.89 115.31 119.49 3g05 h LEU 523 Ca -0.00 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3g05 h LEU 523 Cb 0.99 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.94 3g05 h LEU 523 CO 0.06 0.73 0.00 0.35 -0.34 0.00 0.00 178.44 179.23 3g05 n THR 524 N -3.97 1.97 -1.40 1.05 -2.24 -0.18 -3.48 114.28 106.04 3g05 n THR 524 Ca -0.02 -1.03 -0.26 0.00 -2.27 0.00 0.00 64.05 60.46 3g05 n THR 524 Cb 0.54 -0.26 0.12 0.00 -2.10 0.00 0.00 70.33 68.62 3g05 n THR 524 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 3g05 n THR 525 N 0.54 3.24 -4.41 4.28 5.66 -1.09 -4.03 114.28 118.48 3g05 n THR 525 Ca 0.21 -2.78 -0.21 0.00 -3.05 0.00 0.00 64.05 58.22 3g05 n THR 525 Cb 0.93 -0.85 -0.16 0.00 -1.55 0.00 0.00 70.33 68.70 3g05 n THR 525 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3g05 s LEU 526 N -3.57 1.76 0.53 1.09 1.43 -1.23 -5.05 118.68 113.63 3g05 s LEU 526 Ca 0.58 -0.20 0.34 0.00 -1.03 0.00 0.00 54.13 53.82 3g05 s LEU 526 Cb 0.48 -0.58 1.43 0.00 0.03 0.00 0.00 46.19 47.54 3g05 s LEU 526 CO 0.03 0.06 1.99 0.74 0.23 0.00 0.00 176.35 179.40 3g05 h THR 527 N 5.46 0.00 -0.10 5.49 2.02 -1.91 0.14 112.91 124.01 3g05 h THR 527 Ca -0.33 -0.43 -0.12 0.00 0.77 0.00 0.00 66.41 66.30 3g05 h THR 527 Cb 1.17 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 3g05 h THR 527 CO 0.48 0.00 -0.46 1.55 0.37 0.00 0.00 175.52 177.46 3g05 h PRO 528 N 0.00 0.24 -0.00 6.66 0.13 -1.94 -3.39 132.00 133.70 3g05 h PRO 528 Ca 0.00 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 3g05 h PRO 528 Cb 0.44 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.58 3g05 h PRO 528 CO 0.00 0.66 -0.00 1.19 -0.23 0.00 0.00 178.00 179.62 3g05 n PHE 529 N -3.98 0.00 -1.63 1.56 3.72 -0.24 -4.89 117.46 112.00 3g05 n PHE 529 Ca -0.02 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.08 3g05 n PHE 529 Cb 0.52 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 39.26 3g05 n PHE 529 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3g05 s ALA 530 N -0.44 1.67 0.18 4.37 0.00 0.32 -4.66 121.76 123.21 3g05 s ALA 530 Ca 0.00 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 50.89 3g05 s ALA 530 Cb 0.00 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.26 3g05 s ALA 530 CO 0.01 -2.82 0.34 -1.25 0.00 0.00 0.00 175.76 172.04 3g05 s PRO 531 N -5.70 3.47 -0.25 0.00 0.04 -1.26 -5.05 135.00 126.25 3g05 s PRO 531 Ca 0.72 -0.49 -0.43 0.00 0.04 0.00 0.00 61.00 60.85 3g05 s PRO 531 Cb -0.06 -2.90 -0.19 0.00 0.04 0.00 0.00 34.50 31.39 3g05 s PRO 531 CO 0.54 0.46 1.42 0.00 0.04 0.00 0.00 177.00 179.46 3g05 n ALA 532 N -0.67 -1.93 -1.68 8.56 0.00 -1.26 -4.88 120.51 118.66 3g05 n ALA 532 Ca -0.06 0.52 -0.44 0.00 0.00 0.00 0.00 53.44 53.46 3g05 n ALA 532 Cb 0.54 -1.92 -0.02 0.00 0.00 0.00 0.00 19.45 18.05 3g05 n ALA 532 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3g05 n LEU 533 N 3.23 3.29 0.05 0.00 7.94 -1.26 -4.94 117.00 125.31 3g05 n LEU 533 Ca 0.26 1.15 -0.05 0.00 -1.11 0.00 0.00 56.01 56.26 3g05 n LEU 533 Cb 0.03 -1.45 -0.10 0.00 0.53 0.00 0.00 43.42 42.43 3g05 n LEU 533 CO 0.77 -0.42 -0.04 0.71 -1.11 0.00 0.00 177.39 177.30 3g05 h THR 534 N 3.03 1.19 -0.14 1.96 1.35 -2.01 -3.41 112.91 114.87 3g05 h THR 534 Ca -0.45 -2.85 -0.33 0.00 -0.55 0.00 0.00 66.41 62.22 3g05 h THR 534 Cb 1.27 2.56 0.04 0.00 -1.73 0.00 0.00 68.15 70.29 3g05 h THR 534 CO 0.75 0.68 0.98 -0.67 -0.25 0.00 0.00 175.52 177.00 3g05 n ASP 535 N -3.19 1.86 -0.21 5.36 -0.08 -1.26 -4.76 116.55 114.26 3g05 n ASP 535 Ca -0.05 -2.57 0.20 0.00 -1.51 0.00 0.00 54.79 50.85 3g05 n ASP 535 Cb 0.92 -1.33 0.37 0.00 2.34 0.00 0.00 41.12 43.42 3g05 n ASP 535 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3g05 n GLU 536 N 7.95 -0.03 0.00 -0.67 -0.58 -1.26 -0.85 120.64 125.20 3g05 n GLU 536 Ca 0.45 0.82 0.00 0.00 -0.42 0.00 0.00 57.16 58.01 3g05 n GLU 536 Cb 0.45 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 3g05 n GLU 536 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 3g05 n GLN 537 N -4.29 0.00 -0.36 3.49 7.27 -1.26 -2.95 117.38 119.28 3g05 n GLN 537 Ca 0.23 0.45 0.33 0.00 0.07 0.00 0.00 57.00 58.08 3g05 n GLN 537 Cb 0.81 -1.21 0.59 0.00 2.41 0.00 0.00 30.24 32.84 3g05 n GLN 537 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3g05 n ALA 538 N -1.84 1.10 0.13 1.69 0.00 -0.03 0.32 120.51 121.88 3g05 n ALA 538 Ca 0.00 0.92 -0.14 0.00 0.00 0.00 0.00 53.44 54.22 3g05 n ALA 538 Cb 0.00 -0.98 -0.08 0.00 0.00 0.00 0.00 19.45 18.39 3g05 n ALA 538 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g05 h ALA 539 N 1.76 -0.26 -0.50 0.00 0.00 -1.07 0.32 119.26 119.50 3g05 h ALA 539 Ca 0.82 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.57 3g05 h ALA 539 Cb 2.35 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 20.22 3g05 h ALA 539 CO -0.62 -0.64 -0.06 1.05 0.00 0.00 0.00 179.25 178.98 3g05 h GLU 540 N -0.29 0.88 -0.08 0.00 -0.00 -0.02 -1.85 114.58 113.23 3g05 h GLU 540 Ca -0.03 -0.28 -0.01 0.00 -0.00 0.00 0.00 59.36 59.05 3g05 h GLU 540 Cb 0.22 -0.08 -0.00 0.00 -0.00 0.00 0.00 28.75 28.89 3g05 h GLU 540 CO 0.04 0.91 0.03 0.37 -0.00 0.00 0.00 179.01 180.36 3g05 h GLN 541 N 0.80 0.12 -0.72 1.06 5.75 -1.30 -1.77 115.11 119.05 3g05 h GLN 541 Ca 0.14 -0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.68 3g05 h GLN 541 Cb 0.56 -0.02 -0.10 0.00 1.07 0.00 0.00 27.48 29.00 3g05 h GLN 541 CO 0.03 0.28 -0.55 0.28 -2.65 0.00 0.00 178.83 176.23 3g05 h VAL 542 N -0.06 0.00 -0.22 2.39 2.07 -0.09 0.55 116.25 120.90 3g05 h VAL 542 Ca 0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.57 3g05 h VAL 542 Cb 0.21 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 3g05 h VAL 542 CO -0.00 0.00 -0.19 -0.08 0.02 0.00 0.00 177.57 177.32 3g05 h GLU 543 N -0.15 -0.07 -0.18 1.57 4.81 -1.20 -1.51 114.58 117.84 3g05 h GLU 543 Ca 0.12 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.40 3g05 h GLU 543 Cb 0.46 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.79 3g05 h GLU 543 CO -0.76 -0.05 -0.39 0.82 -0.73 0.00 0.00 179.01 177.90 3g05 h ILE 544 N -0.08 0.18 -0.95 2.32 2.04 -0.76 -0.27 117.51 119.99 3g05 h ILE 544 Ca 0.04 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.19 3g05 h ILE 544 Cb 0.17 0.18 -0.15 0.00 -0.74 0.00 0.00 36.82 36.28 3g05 h ILE 544 CO -0.25 0.00 0.38 1.56 0.00 0.00 0.00 178.15 179.84 3g05 h GLN 545 N -0.43 0.22 -0.02 2.37 4.20 0.64 0.15 115.11 122.23 3g05 h GLN 545 Ca 0.09 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.68 3g05 h GLN 545 Cb 0.60 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.34 3g05 h GLN 545 CO -0.42 0.14 -0.43 0.28 -0.67 0.00 0.00 178.83 177.74 3g05 h VAL 546 N 0.22 1.47 0.00 -0.54 2.07 -0.17 -0.58 116.25 118.71 3g05 h VAL 546 Ca 0.66 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 66.21 3g05 h VAL 546 Cb 1.44 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.81 3g05 h VAL 546 CO -0.67 0.56 0.00 0.29 0.02 0.00 0.00 177.57 177.77 3g05 n LYS 547 N -4.35 0.21 -0.29 1.57 4.76 -0.05 -3.80 118.16 116.21 3g05 n LYS 547 Ca -0.10 0.22 0.02 0.00 -2.87 0.00 0.00 58.31 55.59 3g05 n LYS 547 Cb 0.58 -1.76 0.03 0.00 -1.84 0.00 0.00 35.03 32.04 3g05 n LYS 547 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3g05 n TYR 548 N -2.13 0.00 -0.34 2.13 4.02 0.32 -4.86 117.16 116.30 3g05 n TYR 548 Ca 0.05 -0.27 0.14 0.00 -0.01 0.00 0.00 57.90 57.80 3g05 n TYR 548 Cb 0.38 -0.07 0.28 0.00 -0.02 0.00 0.00 39.34 39.90 3g05 n TYR 548 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 3g05 h GLU 549 N 0.00 0.01 0.00 -0.72 4.57 -1.19 -3.49 114.58 113.76 3g05 h GLU 549 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3g05 h GLU 549 Cb 1.18 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3g05 h GLU 549 CO 0.00 0.01 0.00 0.41 -1.18 0.00 0.00 179.01 178.25