#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2g50 s ILE 12 N 0.00 3.46 0.25 -2.13 1.01 -1.26 -5.09 121.20 117.44 2g50 s ILE 12 Ca 0.00 -0.49 -0.30 0.00 0.00 0.00 0.00 60.65 59.86 2g50 s ILE 12 Cb 0.00 -2.53 -0.10 0.00 0.01 0.00 0.00 42.46 39.84 2g50 s ILE 12 CO 0.00 0.47 1.47 -1.10 0.00 0.00 0.00 174.94 175.78 2g50 s GLN 13 N 0.87 4.24 0.96 2.79 -0.21 -1.26 -4.92 119.66 122.13 2g50 s GLN 13 Ca -0.01 2.34 -0.12 0.00 0.02 0.00 0.00 55.36 57.59 2g50 s GLN 13 Cb -0.15 -3.10 0.17 0.00 1.00 0.00 0.00 33.01 30.93 2g50 s GLN 13 CO 0.01 -0.47 1.11 0.95 -2.12 0.00 0.00 175.29 174.77 2g50 s THR 14 N 0.11 2.08 -1.66 -0.19 -4.23 -1.26 -4.31 115.64 106.16 2g50 s THR 14 Ca 0.61 0.03 -0.01 0.00 -1.18 0.00 0.00 61.69 61.13 2g50 s THR 14 Cb -0.43 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 70.80 2g50 s THR 14 CO 0.43 -0.03 0.13 1.67 -0.54 0.00 0.00 174.62 176.27 2g50 n GLN 15 N -4.01 -2.41 -3.89 3.99 7.27 0.11 -1.48 117.38 116.96 2g50 n GLN 15 Ca 0.06 0.94 -0.31 0.00 0.07 0.00 0.00 57.00 57.76 2g50 n GLN 15 Cb 0.58 -5.65 -0.02 0.00 2.41 0.00 0.00 30.24 27.56 2g50 n GLN 15 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2g50 n GLN 16 N -3.21 -3.22 0.22 3.69 1.13 -1.26 -4.78 117.38 109.96 2g50 n GLN 16 Ca -0.21 0.39 0.10 0.00 -1.94 0.00 0.00 57.00 55.34 2g50 n GLN 16 Cb 0.67 -5.11 0.47 0.00 0.11 0.00 0.00 30.24 26.38 2g50 n GLN 16 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2g50 h LEU 17 N -1.27 0.00 -0.08 1.08 3.38 -1.47 -0.27 115.31 116.68 2g50 h LEU 17 Ca -0.52 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 2g50 h LEU 17 Cb 1.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.09 2g50 h LEU 17 CO 0.68 0.22 -0.00 -0.74 0.09 0.00 0.00 178.44 178.68 2g50 h HIS 18 N 0.00 0.17 -0.49 1.13 2.76 -1.85 -2.95 115.15 113.93 2g50 h HIS 18 Ca -0.00 -0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.15 2g50 h HIS 18 Cb 0.73 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.62 2g50 h HIS 18 CO 0.00 0.43 0.32 0.00 -1.30 0.00 0.00 177.93 177.38 2g50 h ALA 19 N 0.72 1.71 -0.16 5.26 0.00 -1.67 -2.16 119.26 122.96 2g50 h ALA 19 Ca 0.02 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.95 2g50 h ALA 19 Cb 0.36 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2g50 h ALA 19 CO 0.01 0.25 0.12 0.00 0.00 0.00 0.00 179.25 179.63 2g50 h ALA 20 N 1.71 2.06 -0.20 0.00 0.00 -0.88 -1.76 119.26 120.19 2g50 h ALA 20 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2g50 h ALA 20 Cb 0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2g50 h ALA 20 CO -0.04 -0.20 0.00 -1.33 0.00 0.00 0.00 179.25 177.67 2g50 n MET 21 N -4.35 1.86 -1.37 0.00 2.81 -0.81 -4.75 117.12 110.51 2g50 n MET 21 Ca 0.01 -1.30 -0.33 0.00 -1.81 0.00 0.00 57.70 54.27 2g50 n MET 21 Cb 0.25 -1.41 0.09 0.00 -0.71 0.00 0.00 33.22 31.44 2g50 n MET 21 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2g50 s ALA 22 N -1.74 2.11 -0.04 3.04 0.00 -0.66 -4.97 121.76 119.49 2g50 s ALA 22 Ca 0.33 0.70 0.05 0.00 0.00 0.00 0.00 51.96 53.04 2g50 s ALA 22 Cb 0.18 -3.41 -0.24 0.00 0.00 0.00 0.00 23.12 19.64 2g50 s ALA 22 CO 0.27 -1.87 0.68 -0.44 0.00 0.00 0.00 175.76 174.40 2g50 h ASP 23 N -0.55 0.17 -2.36 0.00 3.32 -1.92 -3.47 116.42 111.60 2g50 h ASP 23 Ca -0.46 -0.32 -0.58 0.00 0.02 0.00 0.00 57.03 55.69 2g50 h ASP 23 Cb 1.27 -0.05 -0.14 0.00 0.22 0.00 0.00 39.33 40.63 2g50 h ASP 23 CO 0.50 1.28 -0.73 0.42 -1.72 0.00 0.00 179.24 178.98 2g50 s THR 24 N -2.60 2.25 0.26 0.35 -4.23 -1.26 -5.04 115.64 105.38 2g50 s THR 24 Ca -0.09 -2.32 -0.04 0.00 -1.18 0.00 0.00 61.69 58.07 2g50 s THR 24 Cb 0.08 -2.34 0.19 0.00 1.34 0.00 0.00 72.50 71.76 2g50 s THR 24 CO 0.82 -0.38 1.85 0.15 -0.54 0.00 0.00 174.62 176.52 2g50 h PHE 25 N 2.26 1.04 -0.15 3.99 3.04 -1.99 -0.57 116.94 124.56 2g50 h PHE 25 Ca -0.40 -0.05 0.02 0.00 3.98 0.00 0.00 57.97 61.51 2g50 h PHE 25 Cb 1.25 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 39.42 2g50 h PHE 25 CO 0.78 0.77 0.03 1.25 -2.02 0.00 0.00 178.31 179.12 2g50 h LEU 26 N 1.03 0.02 -1.07 0.59 5.85 -2.00 -1.39 115.31 118.34 2g50 h LEU 26 Ca 0.25 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.93 2g50 h LEU 26 Cb 0.15 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2g50 h LEU 26 CO -0.03 0.03 0.03 -0.08 -0.34 0.00 0.00 178.44 178.05 2g50 h GLU 27 N 0.09 0.68 -0.26 1.25 4.57 -1.89 -1.01 114.58 118.02 2g50 h GLU 27 Ca 0.06 -0.16 0.03 0.00 -1.18 0.00 0.00 59.36 58.12 2g50 h GLU 27 Cb 0.05 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.52 2g50 h GLU 27 CO -0.08 0.68 0.05 1.25 -1.18 0.00 0.00 179.01 179.74 2g50 h HIS 28 N 0.65 0.09 -0.20 0.92 2.76 -0.69 -1.93 115.15 116.74 2g50 h HIS 28 Ca 0.14 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.33 2g50 h HIS 28 Cb 0.37 -0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.31 2g50 h HIS 28 CO 0.02 0.03 0.10 0.87 -1.30 0.00 0.00 177.93 177.64 2g50 h LYS 29 N 0.16 0.20 0.00 5.26 1.57 -0.79 -2.56 116.57 120.41 2g50 h LYS 29 Ca 0.12 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2g50 h LYS 29 Cb 0.12 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 2g50 h LYS 29 CO -0.15 0.14 -0.01 0.00 -0.57 0.00 0.00 179.45 178.86 2g50 n ARG 31 N -3.16 0.78 -1.75 0.00 1.74 -0.76 -4.95 116.66 108.56 2g50 n ARG 31 Ca -0.02 -0.57 -0.42 0.00 -0.77 0.00 0.00 57.85 56.07 2g50 n ARG 31 Cb 0.13 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.06 2g50 n ARG 31 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2g50 n LEU 32 N -0.61 4.38 -3.75 0.55 4.77 -0.74 -4.41 117.00 117.18 2g50 n LEU 32 Ca 0.09 1.15 -0.26 0.00 -0.03 0.00 0.00 56.01 56.96 2g50 n LEU 32 Cb 0.39 -1.60 -0.17 0.00 -2.33 0.00 0.00 43.42 39.72 2g50 n LEU 32 CO 0.30 0.16 -0.37 -0.62 -1.33 0.00 0.00 177.39 175.53 2g50 s ASP 33 N 0.51 2.40 0.28 -1.43 -1.08 -1.26 -5.00 116.67 111.09 2g50 s ASP 33 Ca 0.64 -0.54 0.21 0.00 -0.52 0.00 0.00 52.55 52.35 2g50 s ASP 33 Cb -0.49 -0.55 1.05 0.00 -1.46 0.00 0.00 42.92 41.47 2g50 s ASP 33 CO 0.48 -0.26 1.65 2.30 0.52 0.00 0.00 175.17 179.86 2g50 n ILE 34 N 5.08 1.01 0.70 4.11 -5.35 -1.26 -1.49 119.36 122.17 2g50 n ILE 34 Ca -0.08 0.54 0.12 0.00 -0.27 0.00 0.00 62.75 63.06 2g50 n ILE 34 Cb 0.48 -1.52 0.22 0.00 -1.74 0.00 0.00 39.64 37.09 2g50 n ILE 34 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2g50 n ASP 35 N -2.21 2.97 -4.50 7.28 8.00 -1.26 -4.81 116.55 122.03 2g50 n ASP 35 Ca -0.00 -1.93 -0.43 0.00 0.71 0.00 0.00 54.79 53.14 2g50 n ASP 35 Cb 0.10 -0.15 -0.06 0.00 -0.02 0.00 0.00 41.12 40.99 2g50 n ASP 35 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2g50 s SER 36 N -1.67 6.30 0.25 -2.24 0.15 -0.55 -4.96 113.70 110.97 2g50 s SER 36 Ca 0.35 -0.51 -0.30 0.00 0.70 0.00 0.00 55.95 56.19 2g50 s SER 36 Cb 0.21 -2.33 -0.09 0.00 -1.71 0.00 0.00 66.02 62.11 2g50 s SER 36 CO 0.31 -0.87 1.19 0.00 1.20 0.00 0.00 173.24 175.07 2g50 s ALA 37 N 2.91 3.45 0.90 5.45 0.00 -1.26 -4.38 121.76 128.83 2g50 s ALA 37 Ca 0.21 1.01 -0.12 0.00 0.00 0.00 0.00 51.96 53.06 2g50 s ALA 37 Cb -0.15 -3.40 0.13 0.00 0.00 0.00 0.00 23.12 19.70 2g50 s ALA 37 CO 0.17 -0.36 1.11 -1.25 0.00 0.00 0.00 175.76 175.43 2g50 s PRO 38 N -1.00 1.20 0.82 0.00 0.04 -1.26 0.08 135.00 134.88 2g50 s PRO 38 Ca 0.49 0.48 -0.12 0.00 0.04 0.00 0.00 61.00 61.89 2g50 s PRO 38 Cb -0.34 -1.83 0.08 0.00 0.04 0.00 0.00 34.50 32.45 2g50 s PRO 38 CO 0.42 -2.20 1.12 0.96 0.04 0.00 0.00 177.00 177.34 2g50 s ILE 39 N -3.14 2.62 0.14 0.56 -4.36 -1.26 -4.79 121.20 110.97 2g50 s ILE 39 Ca 0.63 0.20 -0.14 0.00 -0.26 0.00 0.00 60.65 61.08 2g50 s ILE 39 Cb -0.16 -3.03 0.02 0.00 1.25 0.00 0.00 42.46 40.54 2g50 s ILE 39 CO 0.55 -0.26 1.66 0.74 0.24 0.00 0.00 174.94 177.87 2g50 h THR 40 N -1.15 1.23 -3.93 8.37 2.02 -1.95 -3.44 112.91 114.06 2g50 h THR 40 Ca -0.48 -0.76 -0.53 0.00 0.77 0.00 0.00 66.41 65.41 2g50 h THR 40 Cb 1.30 0.84 0.10 0.00 -1.74 0.00 0.00 68.15 68.64 2g50 h THR 40 CO 0.62 0.28 0.72 0.00 0.37 0.00 0.00 175.52 177.51 2g50 s ALA 41 N -5.39 3.50 -0.19 6.16 0.00 -1.26 -5.01 121.76 119.57 2g50 s ALA 41 Ca -0.13 1.46 0.01 0.00 0.00 0.00 0.00 51.96 53.30 2g50 s ALA 41 Cb 0.11 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.70 2g50 s ALA 41 CO 0.78 -0.94 -0.17 0.50 0.00 0.00 0.00 175.76 175.93 2g50 s ARG 42 N -2.06 2.68 0.09 0.00 3.00 -1.26 -4.90 118.95 116.50 2g50 s ARG 42 Ca 0.53 -0.89 0.14 0.00 -1.00 0.00 0.00 55.73 54.51 2g50 s ARG 42 Cb -0.44 -2.55 -0.12 0.00 0.00 0.00 0.00 34.95 31.84 2g50 s ARG 42 CO 0.59 -0.30 0.98 -0.91 0.00 0.00 0.00 175.30 175.66 2g50 h ASN 43 N 7.93 0.00 -3.26 -2.12 -0.26 -1.93 -3.47 115.58 112.47 2g50 h ASN 43 Ca -0.39 0.00 -0.57 0.00 -0.56 0.00 0.00 56.30 54.78 2g50 h ASN 43 Cb 1.12 0.00 -0.06 0.00 -1.06 0.00 0.00 38.32 38.32 2g50 h ASN 43 CO 0.58 0.70 0.50 -0.89 -1.06 0.00 0.00 177.43 177.26 2g50 s THR 44 N -2.84 4.83 0.47 2.81 2.01 -1.26 0.13 115.64 121.79 2g50 s THR 44 Ca -0.01 1.81 -0.24 0.00 0.31 0.00 0.00 61.69 63.56 2g50 s THR 44 Cb 0.08 -4.21 -0.07 0.00 0.01 0.00 0.00 72.50 68.31 2g50 s THR 44 CO 0.80 -0.01 1.35 -0.83 -0.69 0.00 0.00 174.62 175.25 2g50 s GLY 45 N 1.14 2.90 -0.21 4.40 0.00 -0.48 -4.85 107.32 110.23 2g50 s GLY 45 Ca 0.42 1.32 -0.02 0.00 0.00 0.00 0.00 44.72 46.45 2g50 s GLY 45 CO 0.13 1.89 -0.11 -0.42 0.00 0.00 0.00 173.10 174.59 2g50 s ILE 46 N -1.28 2.76 -0.19 0.90 1.01 -1.26 -1.08 121.20 122.06 2g50 s ILE 46 Ca 0.63 -0.76 -0.06 0.00 0.00 0.00 0.00 60.65 60.47 2g50 s ILE 46 Cb -0.40 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.79 2g50 s ILE 46 CO 0.50 0.43 0.03 -0.63 0.00 0.00 0.00 174.94 175.27 2g50 s ILE 47 N 1.38 4.30 -0.10 2.92 1.01 -0.50 -1.00 121.20 129.22 2g50 s ILE 47 Ca 0.05 -0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.54 2g50 s ILE 47 Cb -0.14 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.38 2g50 s ILE 47 CO -0.07 0.43 -0.23 0.00 0.00 0.00 0.00 174.94 175.07 2g50 s THR 49 N 0.34 4.59 -0.13 0.00 2.01 -0.22 -0.24 115.64 121.98 2g50 s THR 49 Ca -0.18 1.86 -0.08 0.00 0.31 0.00 0.00 61.69 63.60 2g50 s THR 49 Cb -0.18 -4.19 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 2g50 s THR 49 CO 0.08 0.14 0.14 -0.63 -0.69 0.00 0.00 174.62 173.66 2g50 s ILE 50 N 1.06 5.49 0.00 1.82 -1.09 -0.58 -2.25 121.20 125.66 2g50 s ILE 50 Ca 0.54 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 59.17 2g50 s ILE 50 Cb -0.24 -3.41 0.00 0.00 -1.58 0.00 0.00 42.46 37.23 2g50 s ILE 50 CO 0.28 0.59 0.00 0.61 -1.23 0.00 0.00 174.94 175.19 2g50 n GLY 51 N 2.26 3.10 0.39 6.18 0.00 -1.22 -4.73 105.19 111.17 2g50 n GLY 51 Ca -0.19 -0.73 0.19 0.00 0.00 0.00 0.00 46.02 45.29 2g50 n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2g50 h PRO 52 N 0.00 0.12 0.00 1.61 0.13 -1.72 -0.74 132.00 131.40 2g50 h PRO 52 Ca 0.00 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 2g50 h PRO 52 Cb 0.00 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.10 2g50 h PRO 52 CO 0.00 0.08 -0.04 0.00 -0.23 0.00 0.00 178.00 177.81 2g50 h ALA 53 N 1.70 0.98 0.00 -0.56 0.00 -1.44 -3.37 119.26 116.57 2g50 h ALA 53 Ca 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2g50 h ALA 53 Cb 1.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2g50 h ALA 53 CO -0.04 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.13 2g50 n SER 54 N -3.12 0.78 0.13 0.00 3.41 -0.38 -4.86 113.62 109.59 2g50 n SER 54 Ca 0.03 -1.33 0.07 0.00 -0.26 0.00 0.00 58.87 57.39 2g50 n SER 54 Cb 0.49 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.47 2g50 n SER 54 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2g50 h ARG 55 N 0.00 0.00 -7.15 4.33 2.43 -1.48 -3.35 114.38 109.15 2g50 h ARG 55 Ca 0.00 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.66 2g50 h ARG 55 Cb 0.64 0.00 0.10 0.00 -0.42 0.00 0.00 29.97 30.29 2g50 h ARG 55 CO 0.00 0.17 0.40 -1.54 -1.51 0.00 0.00 179.97 177.49 2g50 s SER 56 N -5.89 5.19 0.19 -3.80 1.04 -1.26 -4.82 113.70 104.35 2g50 s SER 56 Ca 0.02 2.13 -0.11 0.00 0.48 0.00 0.00 55.95 58.46 2g50 s SER 56 Cb 0.08 -2.57 0.12 0.00 0.10 0.00 0.00 66.02 63.75 2g50 s SER 56 CO 0.76 -1.58 1.84 0.58 0.98 0.00 0.00 173.24 175.82 2g50 h VAL 57 N 0.42 1.19 -0.36 5.02 2.07 -1.90 -0.73 116.25 121.96 2g50 h VAL 57 Ca -0.48 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 66.67 2g50 h VAL 57 Cb 1.26 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 2g50 h VAL 57 CO 0.54 0.19 0.17 -0.08 0.02 0.00 0.00 177.57 178.42 2g50 h GLU 58 N 0.92 0.34 -0.43 1.57 4.81 -1.95 -1.12 114.58 118.73 2g50 h GLU 58 Ca 0.25 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.31 2g50 h GLU 58 Cb -0.05 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2g50 h GLU 58 CO -0.05 0.23 -0.30 1.15 -0.73 0.00 0.00 179.01 179.31 2g50 h THR 59 N 0.35 1.27 -0.78 0.32 2.02 -1.84 -3.05 112.91 111.21 2g50 h THR 59 Ca 0.16 -1.47 -0.01 0.00 0.77 0.00 0.00 66.41 65.86 2g50 h THR 59 Cb 0.08 1.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 2g50 h THR 59 CO -0.12 0.50 0.44 -0.07 0.37 0.00 0.00 175.52 176.64 2g50 h LEU 60 N 0.79 0.94 -0.58 2.58 3.38 -0.79 0.82 115.31 122.45 2g50 h LEU 60 Ca 0.08 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2g50 h LEU 60 Cb 0.88 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 2g50 h LEU 60 CO 0.08 0.74 0.33 0.11 0.09 0.00 0.00 178.44 179.80 2g50 h LYS 61 N 1.08 0.63 -0.14 1.13 1.57 -1.19 -0.52 116.57 119.12 2g50 h LYS 61 Ca 0.28 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.93 2g50 h LYS 61 Cb -0.01 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2g50 h LYS 61 CO -0.05 0.42 -0.29 0.93 -0.57 0.00 0.00 179.45 179.88 2g50 h GLU 62 N 0.65 0.27 -0.58 3.15 4.39 -1.20 -1.80 114.58 119.45 2g50 h GLU 62 Ca 0.24 -0.10 -0.11 0.00 0.34 0.00 0.00 59.36 59.74 2g50 h GLU 62 Cb 0.08 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 2g50 h GLU 62 CO -0.13 0.54 -0.06 0.52 -1.16 0.00 0.00 179.01 178.73 2g50 h MET 63 N 0.24 1.06 -0.26 2.33 2.86 -0.20 -0.33 114.93 120.63 2g50 h MET 63 Ca 0.03 -0.37 -0.02 0.00 -2.06 0.00 0.00 59.70 57.29 2g50 h MET 63 Cb 0.64 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 2g50 h MET 63 CO 0.05 1.06 0.09 0.82 1.06 0.00 0.00 176.91 180.00 2g50 h ILE 64 N 0.95 1.18 -0.47 -1.22 2.04 -0.96 -0.96 117.51 118.07 2g50 h ILE 64 Ca 0.16 -0.56 0.01 0.00 1.00 0.00 0.00 64.86 65.47 2g50 h ILE 64 Cb 0.62 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 2g50 h ILE 64 CO 0.04 0.19 0.32 0.11 0.00 0.00 0.00 178.15 178.80 2g50 h LYS 65 N 0.26 0.58 0.00 2.37 1.57 -1.20 -2.32 116.57 117.83 2g50 h LYS 65 Ca 0.08 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2g50 h LYS 65 Cb 0.20 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2g50 h LYS 65 CO -0.01 0.39 -0.02 0.43 -0.57 0.00 0.00 179.45 179.67 2g50 n SER 66 N -4.47 0.74 0.00 0.86 7.64 -0.15 -4.92 113.62 113.32 2g50 n SER 66 Ca 0.04 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.48 2g50 n SER 66 Cb 0.09 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 2g50 n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2g50 n GLY 67 N 1.33 -0.07 3.71 0.23 0.00 -0.69 -4.28 105.19 105.42 2g50 n GLY 67 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2g50 n GLY 67 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2g50 n MET 68 N 0.00 2.81 -0.07 1.61 0.00 -0.45 -4.53 117.12 116.48 2g50 n MET 68 Ca 0.00 1.01 -0.07 0.00 0.00 0.00 0.00 57.70 58.64 2g50 n MET 68 Cb 0.00 -2.88 -0.10 0.00 0.00 0.00 0.00 33.22 30.23 2g50 n MET 68 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 2g50 n ASN 69 N 4.55 1.73 -3.92 6.12 5.03 -0.17 -4.65 115.26 123.95 2g50 n ASN 69 Ca 0.17 -0.01 -0.20 0.00 0.87 0.00 0.00 54.58 55.41 2g50 n ASN 69 Cb 0.36 0.75 -0.16 0.00 -1.02 0.00 0.00 39.78 39.70 2g50 n ASN 69 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2g50 s VAL 70 N -2.33 0.59 -0.28 2.41 1.01 -1.01 -1.48 120.40 119.30 2g50 s VAL 70 Ca -0.08 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.59 2g50 s VAL 70 Cb 0.04 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 2g50 s VAL 70 CO 0.54 0.22 0.24 0.00 0.00 0.00 0.00 175.10 176.11 2g50 s ALA 71 N 0.66 3.54 -0.23 5.51 0.00 0.22 -0.69 121.76 130.77 2g50 s ALA 71 Ca -0.09 -1.03 -0.10 0.00 0.00 0.00 0.00 51.96 50.73 2g50 s ALA 71 Cb -0.12 -2.55 -0.05 0.00 0.00 0.00 0.00 23.12 20.39 2g50 s ALA 71 CO 0.00 -0.60 0.15 0.50 0.00 0.00 0.00 175.76 175.81 2g50 s ARG 72 N 1.85 4.09 -0.31 0.00 3.52 0.67 -0.73 118.95 128.03 2g50 s ARG 72 Ca 0.09 -0.26 -0.10 0.00 -0.13 0.00 0.00 55.73 55.33 2g50 s ARG 72 Cb -0.16 -3.51 -0.01 0.00 -1.56 0.00 0.00 34.95 29.70 2g50 s ARG 72 CO 0.11 0.11 0.17 -1.64 -0.81 0.00 0.00 175.30 173.24 2g50 s MET 73 N 0.92 3.44 -0.49 5.12 -1.94 0.11 -1.53 119.30 124.94 2g50 s MET 73 Ca 0.08 -0.66 -0.21 0.00 -1.71 0.00 0.00 55.69 53.19 2g50 s MET 73 Cb -0.13 -3.61 0.04 0.00 2.01 0.00 0.00 34.83 33.13 2g50 s MET 73 CO 0.03 -0.39 0.71 1.21 -0.01 0.00 0.00 175.02 176.57 2g50 s ASN 74 N 1.65 6.30 0.00 3.03 2.47 -1.26 -0.96 114.94 126.17 2g50 s ASN 74 Ca 0.05 -0.52 0.07 0.00 0.42 0.00 0.00 52.86 52.88 2g50 s ASN 74 Cb -0.17 -2.34 0.26 0.00 -1.45 0.00 0.00 41.25 37.55 2g50 s ASN 74 CO 0.07 -0.92 1.19 0.49 -3.72 0.00 0.00 177.10 174.22 2g50 n PHE 75 N 6.52 0.19 0.28 0.43 3.01 0.16 -3.19 117.46 124.85 2g50 n PHE 75 Ca -0.02 -0.10 0.13 0.00 1.01 0.00 0.00 57.45 58.48 2g50 n PHE 75 Cb 0.47 0.00 0.82 0.00 -0.01 0.00 0.00 39.48 40.76 2g50 n PHE 75 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2g50 h SER 76 N 0.92 0.00 -4.98 4.37 0.02 -1.81 -3.37 113.55 108.69 2g50 h SER 76 Ca 0.00 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.71 2g50 h SER 76 Cb 0.21 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.60 2g50 h SER 76 CO 0.00 0.05 -0.65 -1.00 -1.14 0.00 0.00 176.83 174.09 2g50 s HIS 77 N -4.49 1.07 0.00 3.45 3.76 -1.19 -5.00 115.29 112.89 2g50 s HIS 77 Ca -0.04 -1.15 0.00 0.00 -0.15 0.00 0.00 55.06 53.72 2g50 s HIS 77 Cb 0.14 -0.61 0.00 0.00 1.11 0.00 0.00 32.58 33.23 2g50 s HIS 77 CO 0.57 -0.38 0.00 0.41 -0.85 0.00 0.00 174.74 174.49 2g50 n GLY 78 N -0.19 -0.70 3.93 -2.22 0.00 -1.26 -4.88 105.19 99.87 2g50 n GLY 78 Ca -0.05 -1.51 -0.25 0.00 0.00 0.00 0.00 46.02 44.21 2g50 n GLY 78 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2g50 s THR 79 N -3.14 3.47 0.24 2.61 -4.23 -1.26 -4.94 115.64 108.40 2g50 s THR 79 Ca 0.00 -0.18 -0.05 0.00 -1.18 0.00 0.00 61.69 60.28 2g50 s THR 79 Cb 0.00 -3.37 0.22 0.00 1.34 0.00 0.00 72.50 70.70 2g50 s THR 79 CO 0.00 -0.35 1.86 0.45 -0.54 0.00 0.00 174.62 176.05 2g50 h HIS 80 N -0.09 1.03 -0.69 3.99 -0.00 -1.99 -1.65 115.15 115.75 2g50 h HIS 80 Ca -0.45 0.03 0.03 0.00 -0.00 0.00 0.00 60.37 59.98 2g50 h HIS 80 Cb 1.27 -0.34 -0.04 0.00 -0.00 0.00 0.00 27.41 28.30 2g50 h HIS 80 CO 0.44 0.54 0.43 1.05 -0.00 0.00 0.00 177.93 180.40 2g50 h GLU 81 N 1.03 0.83 0.24 2.45 9.09 -1.99 -0.10 114.58 126.12 2g50 h GLU 81 Ca 0.38 -0.05 -0.01 0.00 0.05 0.00 0.00 59.36 59.73 2g50 h GLU 81 Cb 0.13 -0.19 0.00 0.00 -1.65 0.00 0.00 28.75 27.05 2g50 h GLU 81 CO -0.16 0.55 -0.11 -0.92 0.05 0.00 0.00 179.01 178.41 2g50 h TYR 82 N 0.85 -0.30 -0.16 2.06 3.20 -1.85 -2.44 116.97 118.34 2g50 h TYR 82 Ca 0.28 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.05 2g50 h TYR 82 Cb 0.01 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 2g50 h TYR 82 CO -0.04 -0.15 -0.28 0.45 -1.64 0.00 0.00 178.16 176.49 2g50 h HIS 83 N -0.36 0.33 -0.46 -3.82 3.86 -1.20 -1.76 115.15 111.74 2g50 h HIS 83 Ca -0.03 -0.07 0.02 0.00 -1.16 0.00 0.00 60.37 59.13 2g50 h HIS 83 Cb 0.28 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.64 2g50 h HIS 83 CO -0.05 0.56 0.27 0.00 0.86 0.00 0.00 177.93 179.57 2g50 h ALA 84 N 1.45 0.59 -0.50 2.45 0.00 -0.95 -0.60 119.26 121.69 2g50 h ALA 84 Ca 0.04 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2g50 h ALA 84 Cb 0.64 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2g50 h ALA 84 CO 0.05 -0.04 0.06 1.49 0.00 0.00 0.00 179.25 180.80 2g50 h GLU 85 N 0.54 0.85 -0.07 0.00 4.81 -0.98 0.47 114.58 120.19 2g50 h GLU 85 Ca 0.19 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2g50 h GLU 85 Cb 0.02 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2g50 h GLU 85 CO -0.09 0.86 -0.01 1.15 -0.73 0.00 0.00 179.01 180.19 2g50 h THR 86 N 0.72 0.94 -0.58 0.32 2.02 -1.17 -0.15 112.91 115.02 2g50 h THR 86 Ca 0.15 -0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.35 2g50 h THR 86 Cb 0.43 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 2g50 h THR 86 CO 0.01 0.00 0.35 0.40 0.37 0.00 0.00 175.52 176.66 2g50 h ILE 87 N 0.01 1.07 -0.50 3.11 2.04 -0.93 -0.38 117.51 121.93 2g50 h ILE 87 Ca 0.03 -0.24 0.08 0.00 1.00 0.00 0.00 64.86 65.73 2g50 h ILE 87 Cb 0.05 0.31 -0.06 0.00 -0.74 0.00 0.00 36.82 36.37 2g50 h ILE 87 CO -0.07 0.13 0.15 0.50 0.00 0.00 0.00 178.15 178.86 2g50 h LYS 88 N 0.70 0.30 -0.49 2.37 3.64 -0.61 -1.96 116.57 120.52 2g50 h LYS 88 Ca 0.23 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.49 2g50 h LYS 88 Cb 0.02 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 2g50 h LYS 88 CO -0.10 0.20 -0.10 -0.91 -2.27 0.00 0.00 179.45 176.27 2g50 h ASN 89 N 0.31 0.89 -0.52 4.20 2.35 -0.23 -0.76 115.58 121.82 2g50 h ASN 89 Ca 0.25 -0.28 0.05 0.00 -0.55 0.00 0.00 56.30 55.77 2g50 h ASN 89 Cb 0.29 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 2g50 h ASN 89 CO -0.28 1.01 0.25 0.58 -1.65 0.00 0.00 177.43 177.34 2g50 h VAL 90 N 0.80 0.94 -0.33 2.81 2.07 -0.85 -1.19 116.25 120.50 2g50 h VAL 90 Ca 0.13 -0.17 -0.17 0.00 0.82 0.00 0.00 66.70 67.32 2g50 h VAL 90 Cb 0.63 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2g50 h VAL 90 CO 0.04 0.09 -0.45 0.03 0.02 0.00 0.00 177.57 177.30 2g50 h ARG 91 N 0.49 0.87 -0.25 1.57 3.08 -0.94 0.22 114.38 119.43 2g50 h ARG 91 Ca 0.23 -0.49 0.01 0.00 0.07 0.00 0.00 59.98 59.80 2g50 h ARG 91 Cb 0.16 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 2g50 h ARG 91 CO -0.17 1.13 0.13 1.15 -1.07 0.00 0.00 179.97 181.14 2g50 h THR 92 N 0.69 1.01 -0.43 2.04 2.02 -1.00 0.10 112.91 117.34 2g50 h THR 92 Ca 0.04 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 2g50 h THR 92 Cb 1.04 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 2g50 h THR 92 CO 0.10 0.05 0.25 0.00 0.37 0.00 0.00 175.52 176.29 2g50 h ALA 93 N 1.12 0.55 -0.24 6.16 0.00 -1.07 -2.25 119.26 123.53 2g50 h ALA 93 Ca 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2g50 h ALA 93 Cb 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2g50 h ALA 93 CO -0.06 0.07 0.11 1.15 0.00 0.00 0.00 179.25 180.52 2g50 h THR 94 N 0.57 1.15 0.00 0.00 2.02 -0.68 -2.86 112.91 113.11 2g50 h THR 94 Ca 0.15 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2g50 h THR 94 Cb 0.03 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 2g50 h THR 94 CO -0.03 0.15 0.00 -0.62 0.37 0.00 0.00 175.52 175.40 2g50 n GLU 95 N -4.81 0.05 0.24 6.66 -0.58 0.33 -2.88 120.64 119.64 2g50 n GLU 95 Ca -0.03 0.16 0.17 0.00 -0.42 0.00 0.00 57.16 57.04 2g50 n GLU 95 Cb 0.11 -1.57 0.78 0.00 -0.57 0.00 0.00 31.44 30.19 2g50 n GLU 95 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2g50 h SER 96 N 0.00 0.00 -0.10 1.62 4.64 -1.16 -2.02 113.55 116.54 2g50 h SER 96 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2g50 h SER 96 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2g50 h SER 96 CO 0.00 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.45 2g50 n PHE 97 N -2.75 0.09 0.32 4.77 3.72 -1.14 -4.61 117.46 117.86 2g50 n PHE 97 Ca -0.00 -0.05 0.16 0.00 -0.05 0.00 0.00 57.45 57.50 2g50 n PHE 97 Cb 0.18 -0.00 0.67 0.00 -0.94 0.00 0.00 39.48 39.38 2g50 n PHE 97 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2g50 h ALA 98 N 4.45 1.00 0.00 4.37 0.00 -1.52 -3.07 119.26 124.49 2g50 h ALA 98 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2g50 h ALA 98 Cb 0.95 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2g50 h ALA 98 CO 0.00 0.00 -0.03 0.66 0.00 0.00 0.00 179.25 179.88 2g50 h SER 99 N 0.00 0.00 -3.80 0.00 4.64 -1.81 -3.35 113.55 109.23 2g50 h SER 99 Ca 0.00 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.64 2g50 h SER 99 Cb 0.40 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.12 2g50 h SER 99 CO 0.00 0.03 -0.56 -0.62 -0.87 0.00 0.00 176.83 174.81 2g50 s ASP 100 N -5.63 5.01 0.61 4.97 -1.08 -1.16 -4.98 116.67 114.42 2g50 s ASP 100 Ca -0.01 -2.38 0.35 0.00 -0.52 0.00 0.00 52.55 49.99 2g50 s ASP 100 Cb 0.11 -1.76 1.99 0.00 -1.46 0.00 0.00 42.92 41.79 2g50 s ASP 100 CO 0.52 -0.43 2.28 1.55 0.52 0.00 0.00 175.17 179.61 2g50 h PRO 101 N 7.51 0.00 -0.05 4.34 0.13 -1.84 -0.37 132.00 141.73 2g50 h PRO 101 Ca -0.08 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.91 2g50 h PRO 101 Cb 1.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 2g50 h PRO 101 CO 0.66 0.01 -0.61 0.82 -0.23 0.00 0.00 178.00 178.65 2g50 h ILE 102 N 0.00 1.40 0.00 -3.56 1.08 -1.95 -3.35 117.51 111.14 2g50 h ILE 102 Ca -0.00 -2.03 0.00 0.00 -0.39 0.00 0.00 64.86 62.44 2g50 h ILE 102 Cb 0.04 2.05 0.00 0.00 -3.07 0.00 0.00 36.82 35.83 2g50 h ILE 102 CO 0.00 0.59 -1.33 0.18 -0.69 0.00 0.00 178.15 176.91 2g50 n LEU 103 N -3.85 0.16 -4.66 1.44 4.77 -0.78 -4.67 117.00 109.40 2g50 n LEU 103 Ca -0.02 -0.13 -0.48 0.00 -0.03 0.00 0.00 56.01 55.35 2g50 n LEU 103 Cb 0.62 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.66 2g50 n LEU 103 CO 0.44 0.04 1.23 0.00 -1.33 0.00 0.00 177.39 177.77 2g50 n TYR 104 N -1.78 2.17 -3.82 -1.77 9.36 -0.22 -4.99 117.16 116.12 2g50 n TYR 104 Ca -0.01 0.27 -0.36 0.00 3.32 0.00 0.00 57.90 61.11 2g50 n TYR 104 Cb 0.30 -2.54 -0.13 0.00 -0.63 0.00 0.00 39.34 36.34 2g50 n TYR 104 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2g50 s ARG 105 N 1.79 3.63 0.56 2.98 1.81 -1.26 -4.85 118.95 123.61 2g50 s ARG 105 Ca 0.84 -0.50 -0.21 0.00 -1.72 0.00 0.00 55.73 54.15 2g50 s ARG 105 Cb -0.74 -3.25 -0.04 0.00 -0.45 0.00 0.00 34.95 30.46 2g50 s ARG 105 CO 0.44 -0.15 1.29 -2.14 -0.68 0.00 0.00 175.30 174.07 2g50 s PRO 106 N 1.48 3.11 -0.08 3.54 0.02 -1.26 -5.00 135.00 136.81 2g50 s PRO 106 Ca 0.06 2.07 0.01 0.00 0.02 0.00 0.00 61.00 63.15 2g50 s PRO 106 Cb -0.15 -2.16 0.02 0.00 0.02 0.00 0.00 34.50 32.23 2g50 s PRO 106 CO 0.02 -1.16 -0.08 0.08 -0.33 0.00 0.00 177.00 175.54 2g50 s VAL 107 N -1.40 0.90 0.42 3.83 1.01 -1.26 -4.92 120.40 118.98 2g50 s VAL 107 Ca 0.73 -0.27 -0.13 0.00 0.00 0.00 0.00 61.98 62.31 2g50 s VAL 107 Cb -0.37 -0.91 -0.07 0.00 0.00 0.00 0.00 36.38 35.04 2g50 s VAL 107 CO 0.42 0.33 0.82 0.00 0.00 0.00 0.00 175.10 176.67 2g50 s ALA 108 N 1.29 3.27 -0.18 5.51 0.00 -0.55 -4.94 121.76 126.16 2g50 s ALA 108 Ca -0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.87 2g50 s ALA 108 Cb -0.14 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.16 2g50 s ALA 108 CO -0.03 0.01 -0.13 0.08 0.00 0.00 0.00 175.76 175.68 2g50 s VAL 109 N -2.35 2.72 -0.08 0.00 1.01 -1.26 -0.61 120.40 119.83 2g50 s VAL 109 Ca 0.54 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.82 2g50 s VAL 109 Cb -0.10 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 2g50 s VAL 109 CO 0.28 0.50 -0.17 0.00 0.00 0.00 0.00 175.10 175.71 2g50 s ALA 110 N 1.07 2.51 -0.27 5.51 0.00 0.09 -0.95 121.76 129.72 2g50 s ALA 110 Ca -0.00 -0.97 -0.07 0.00 0.00 0.00 0.00 51.96 50.91 2g50 s ALA 110 Cb -0.14 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 2g50 s ALA 110 CO -0.04 0.43 0.07 -1.17 0.00 0.00 0.00 175.76 175.05 2g50 s LEU 111 N -0.26 3.60 -0.33 0.00 0.20 -0.64 -0.71 118.68 120.55 2g50 s LEU 111 Ca 0.01 -0.43 -0.11 0.00 0.69 0.00 0.00 54.13 54.29 2g50 s LEU 111 Cb -0.13 -1.90 -0.00 0.00 -0.43 0.00 0.00 46.19 43.72 2g50 s LEU 111 CO 0.03 -0.11 0.19 -0.62 -0.29 0.00 0.00 176.35 175.55 2g50 s ASP 112 N 1.56 5.72 0.60 3.68 -1.08 -0.13 -0.27 116.67 126.76 2g50 s ASP 112 Ca 0.05 -0.57 -0.16 0.00 -0.52 0.00 0.00 52.55 51.34 2g50 s ASP 112 Cb -0.16 -2.05 -0.03 0.00 -1.46 0.00 0.00 42.92 39.23 2g50 s ASP 112 CO 0.03 -0.24 1.09 0.42 0.52 0.00 0.00 175.17 176.99 2g50 s THR 113 N 1.64 3.43 0.04 1.71 -4.23 -0.46 -0.67 115.64 117.09 2g50 s THR 113 Ca 0.05 0.73 -0.27 0.00 -1.18 0.00 0.00 61.69 61.02 2g50 s THR 113 Cb -0.17 -3.24 -0.17 0.00 1.34 0.00 0.00 72.50 70.25 2g50 s THR 113 CO 0.08 -0.35 1.45 0.50 -0.54 0.00 0.00 174.62 175.76 2g50 h LYS 114 N 0.50 -0.41 0.00 3.99 3.64 -1.92 -3.40 116.57 118.97 2g50 h LYS 114 Ca -0.48 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2g50 h LYS 114 Cb 1.24 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 2g50 h LYS 114 CO 0.56 -0.16 0.00 0.41 -2.27 0.00 0.00 179.45 177.99 2g50 n GLY 115 N -0.76 -1.71 2.48 5.01 0.00 -1.26 -4.28 105.19 104.66 2g50 n GLY 115 Ca -0.10 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.32 2g50 n GLY 115 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2g50 n PRO 116 N -0.55 2.85 -2.48 1.61 -0.04 -1.26 -4.93 135.00 130.20 2g50 n PRO 116 Ca 0.00 -1.82 -0.37 0.00 -0.04 0.00 0.00 63.50 61.27 2g50 n PRO 116 Cb 0.00 -2.63 -0.03 0.00 -0.04 0.00 0.00 33.50 30.80 2g50 n PRO 116 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2g50 s GLU 117 N 2.85 4.13 -0.15 0.54 2.02 -1.26 -4.99 118.70 121.83 2g50 s GLU 117 Ca 0.54 1.58 -0.02 0.00 0.02 0.00 0.00 54.97 57.09 2g50 s GLU 117 Cb 0.14 -2.57 -0.02 0.00 0.10 0.00 0.00 34.13 31.78 2g50 s GLU 117 CO -0.04 -0.19 -0.07 0.42 0.02 0.00 0.00 175.26 175.39 2g50 s ILE 118 N -1.60 3.52 0.07 -1.63 1.01 -1.26 -4.93 121.20 116.37 2g50 s ILE 118 Ca 0.58 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.77 2g50 s ILE 118 Cb -0.24 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 2g50 s ILE 118 CO 0.30 0.50 -0.10 -0.13 0.00 0.00 0.00 174.94 175.50 2g50 s ARG 119 N 0.49 0.70 0.81 2.79 0.52 -1.26 -0.85 118.95 122.16 2g50 s ARG 119 Ca -0.06 -0.93 -0.12 0.00 -0.52 0.00 0.00 55.73 54.11 2g50 s ARG 119 Cb -0.15 -0.52 0.08 0.00 0.52 0.00 0.00 34.95 34.88 2g50 s ARG 119 CO 0.03 0.10 1.17 0.95 0.02 0.00 0.00 175.30 177.57 2g50 s THR 120 N -1.64 2.13 0.00 0.02 -4.23 -0.67 -1.86 115.64 109.40 2g50 s THR 120 Ca -0.03 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 2g50 s THR 120 Cb -0.08 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.74 2g50 s THR 120 CO 0.01 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 2g50 n GLY 121 N -3.17 -0.40 3.79 3.99 0.00 -0.35 -3.44 105.19 105.61 2g50 n GLY 121 Ca 0.08 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.05 2g50 n GLY 121 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2g50 s LEU 122 N 0.00 4.18 0.42 0.99 1.02 -0.75 -1.12 118.68 123.43 2g50 s LEU 122 Ca 0.00 1.79 0.03 0.00 0.02 0.00 0.00 54.13 55.97 2g50 s LEU 122 Cb 0.00 -4.22 -0.00 0.00 0.02 0.00 0.00 46.19 41.99 2g50 s LEU 122 CO 0.00 -0.20 0.61 -1.61 0.02 0.00 0.00 176.35 175.18 2g50 s GLU 130 N -2.49 3.02 -0.04 1.70 2.02 -1.26 -1.73 118.70 119.93 2g50 s GLU 130 Ca 0.55 -0.71 -0.00 0.00 0.02 0.00 0.00 54.97 54.83 2g50 s GLU 130 Cb -0.15 -2.64 0.03 0.00 0.10 0.00 0.00 34.13 31.46 2g50 s GLU 130 CO 0.20 -0.21 0.01 0.54 0.02 0.00 0.00 175.26 175.82 2g50 s VAL 131 N -2.45 0.15 -0.10 2.63 0.11 0.27 -4.91 120.40 116.10 2g50 s VAL 131 Ca 0.48 0.15 -0.20 0.00 -2.93 0.00 0.00 61.98 59.48 2g50 s VAL 131 Cb -0.10 -0.28 -0.04 0.00 -1.53 0.00 0.00 36.38 34.43 2g50 s VAL 131 CO 0.36 0.17 0.57 -0.70 -3.33 0.00 0.00 175.10 172.16 2g50 s GLU 132 N 1.35 4.37 -0.45 1.54 2.12 -1.26 0.00 118.70 126.37 2g50 s GLU 132 Ca -0.05 0.63 -0.11 0.00 0.36 0.00 0.00 54.97 55.80 2g50 s GLU 132 Cb -0.13 -3.45 0.10 0.00 0.26 0.00 0.00 34.13 30.91 2g50 s GLU 132 CO -0.02 0.10 0.33 -0.51 -0.54 0.00 0.00 175.26 174.62 2g50 s LEU 133 N 0.75 5.50 0.52 2.70 2.01 -0.94 -4.88 118.68 124.35 2g50 s LEU 133 Ca 0.31 -1.66 -0.20 0.00 0.01 0.00 0.00 54.13 52.59 2g50 s LEU 133 Cb -0.16 -2.04 -0.06 0.00 0.01 0.00 0.00 46.19 43.94 2g50 s LEU 133 CO 0.13 -0.64 1.15 -1.59 1.01 0.00 0.00 176.35 176.42 2g50 s LYS 134 N 1.44 3.44 0.19 1.70 -2.85 -1.26 -2.85 119.74 119.55 2g50 s LYS 134 Ca 0.04 1.68 -0.32 0.00 -1.00 0.00 0.00 55.97 56.37 2g50 s LYS 134 Cb -0.25 -2.11 -0.11 0.00 -2.06 0.00 0.00 37.83 33.29 2g50 s LYS 134 CO 0.02 -0.80 1.70 0.21 0.10 0.00 0.00 175.35 176.58 2g50 s LYS 135 N -3.12 4.14 0.00 1.78 2.20 -1.26 -2.52 119.74 120.96 2g50 s LYS 135 Ca 0.71 2.56 0.00 0.00 -0.36 0.00 0.00 55.97 58.88 2g50 s LYS 135 Cb -0.26 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 32.93 2g50 s LYS 135 CO 0.30 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.96 2g50 n GLY 136 N 3.96 2.84 3.77 5.54 0.00 0.46 -5.00 105.19 116.76 2g50 n GLY 136 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2g50 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g50 s ALA 137 N -2.52 3.08 0.19 4.61 0.00 -1.05 -4.60 121.76 121.46 2g50 s ALA 137 Ca 0.00 0.91 -0.30 0.00 0.00 0.00 0.00 51.96 52.57 2g50 s ALA 137 Cb 0.00 -3.36 -0.08 0.00 0.00 0.00 0.00 23.12 19.68 2g50 s ALA 137 CO 0.00 -0.52 1.04 -0.08 0.00 0.00 0.00 175.76 176.20 2g50 s THR 138 N -1.50 4.01 -0.07 0.00 -1.32 -1.26 -0.55 115.64 114.95 2g50 s THR 138 Ca 0.59 1.80 -0.01 0.00 -1.21 0.00 0.00 61.69 62.86 2g50 s THR 138 Cb -0.28 -4.15 0.03 0.00 -1.51 0.00 0.00 72.50 66.59 2g50 s THR 138 CO 0.35 0.34 0.00 -0.22 -2.21 0.00 0.00 174.62 172.89 2g50 s LEU 139 N -0.57 0.58 -0.05 9.08 0.20 0.93 -4.69 118.68 124.15 2g50 s LEU 139 Ca 0.47 -0.09 -0.22 0.00 0.69 0.00 0.00 54.13 54.98 2g50 s LEU 139 Cb -0.28 -0.43 -0.04 0.00 -0.43 0.00 0.00 46.19 45.01 2g50 s LEU 139 CO 0.34 -0.20 0.63 -0.75 -0.29 0.00 0.00 176.35 176.08 2g50 s LYS 140 N 1.98 4.39 -0.24 1.98 2.20 -0.78 -0.31 119.74 128.95 2g50 s LYS 140 Ca 0.05 0.76 -0.10 0.00 -0.36 0.00 0.00 55.97 56.32 2g50 s LYS 140 Cb -0.12 -3.41 -0.05 0.00 -1.51 0.00 0.00 37.83 32.74 2g50 s LYS 140 CO -0.05 0.19 0.14 0.42 -0.36 0.00 0.00 175.35 175.68 2g50 s ILE 141 N 0.42 5.14 0.14 5.43 1.01 0.31 -1.40 121.20 132.25 2g50 s ILE 141 Ca 0.33 0.10 0.08 0.00 0.00 0.00 0.00 60.65 61.17 2g50 s ILE 141 Cb -0.17 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 2g50 s ILE 141 CO 0.16 0.34 -0.09 0.28 0.00 0.00 0.00 174.94 175.64 2g50 s THR 142 N 1.15 3.29 -1.19 2.92 -1.32 0.85 -0.79 115.64 120.55 2g50 s THR 142 Ca 0.07 -1.47 0.10 0.00 -1.21 0.00 0.00 61.69 59.18 2g50 s THR 142 Cb -0.14 -2.59 0.10 0.00 -1.51 0.00 0.00 72.50 68.36 2g50 s THR 142 CO 0.05 -0.01 0.85 0.18 -2.21 0.00 0.00 174.62 173.48 2g50 n LEU 143 N 0.35 1.91 -4.61 9.08 4.77 -1.26 -2.96 117.00 124.28 2g50 n LEU 143 Ca -0.12 -1.10 -0.43 0.00 -0.03 0.00 0.00 56.01 54.33 2g50 n LEU 143 Cb 0.54 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 2g50 n LEU 143 CO 0.34 0.39 1.28 -0.62 -1.33 0.00 0.00 177.39 177.45 2g50 s ASP 144 N -0.84 6.31 0.00 -1.43 2.15 -1.26 -4.89 116.67 116.72 2g50 s ASP 144 Ca 0.12 1.04 0.02 0.00 0.43 0.00 0.00 52.55 54.16 2g50 s ASP 144 Cb 0.08 -2.54 0.10 0.00 -0.30 0.00 0.00 42.92 40.27 2g50 s ASP 144 CO 0.12 -1.41 0.90 0.59 -0.17 0.00 0.00 175.17 175.21 2g50 n ASN 145 N 8.86 0.00 0.22 -0.34 5.03 -1.26 -1.51 115.26 126.25 2g50 n ASN 145 Ca 0.18 0.30 0.08 0.00 0.87 0.00 0.00 54.58 56.01 2g50 n ASN 145 Cb 0.47 -0.32 0.49 0.00 -1.02 0.00 0.00 39.78 39.40 2g50 n ASN 145 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2g50 h ALA 146 N 2.09 1.17 -0.59 5.41 0.00 -2.02 -2.95 119.26 122.37 2g50 h ALA 146 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2g50 h ALA 146 Cb 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2g50 h ALA 146 CO 0.00 0.33 0.00 0.66 0.00 0.00 0.00 179.25 180.24 2g50 n TYR 147 N -3.65 1.11 -0.34 0.00 4.01 -0.57 -4.58 117.16 113.14 2g50 n TYR 147 Ca -0.01 -0.48 0.04 0.00 -0.16 0.00 0.00 57.90 57.29 2g50 n TYR 147 Cb 0.39 -0.13 0.22 0.00 -0.31 0.00 0.00 39.34 39.50 2g50 n TYR 147 CO 0.00 0.00 0.00 1.98 -0.46 0.00 0.00 176.86 178.38 2g50 h MET 148 N 3.61 1.05 -0.10 -0.72 4.05 -1.69 -2.81 114.93 118.32 2g50 h MET 148 Ca 0.00 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.34 2g50 h MET 148 Cb 1.11 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 31.66 2g50 h MET 148 CO 0.12 0.69 -0.06 0.39 0.23 0.00 0.00 176.91 178.29 2g50 n GLU 149 N -4.51 1.82 -2.75 0.39 1.02 -1.26 -1.80 120.64 113.55 2g50 n GLU 149 Ca 0.15 -2.79 -0.11 0.00 -0.02 0.00 0.00 57.16 54.39 2g50 n GLU 149 Cb 0.22 -1.64 0.02 0.00 -0.02 0.00 0.00 31.44 30.02 2g50 n GLU 149 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2g50 n LYS 150 N -1.12 1.22 -2.68 3.49 5.02 -1.06 -4.72 118.16 118.31 2g50 n LYS 150 Ca 0.19 -3.34 -0.40 0.00 -2.02 0.00 0.00 58.31 52.74 2g50 n LYS 150 Cb 0.75 -1.37 -0.05 0.00 -0.02 0.00 0.00 35.03 34.34 2g50 n LYS 150 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2g50 n ASP 152 N 1.56 0.33 0.04 0.00 10.43 0.20 -5.00 116.55 124.11 2g50 n ASP 152 Ca -0.01 -0.60 -0.04 0.00 2.57 0.00 0.00 54.79 56.71 2g50 n ASP 152 Cb 0.47 0.00 0.18 0.00 1.84 0.00 0.00 41.12 43.61 2g50 n ASP 152 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 2g50 h GLU 153 N 0.00 0.41 0.00 -1.24 3.07 -1.95 -3.32 114.58 111.55 2g50 h GLU 153 Ca 0.00 -0.18 -0.16 0.00 -0.50 0.00 0.00 59.36 58.52 2g50 h GLU 153 Cb 0.00 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.87 2g50 h GLU 153 CO 0.00 0.71 -2.13 0.09 -1.40 0.00 0.00 179.01 176.28 2g50 n ASN 154 N -4.06 0.04 -3.92 1.42 4.13 -1.26 -4.59 115.26 107.03 2g50 n ASN 154 Ca -0.01 0.02 -0.26 0.00 1.68 0.00 0.00 54.58 56.01 2g50 n ASN 154 Cb 0.46 1.51 -0.17 0.00 -1.54 0.00 0.00 39.78 40.05 2g50 n ASN 154 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2g50 s ILE 155 N -3.08 0.96 -0.12 2.41 1.01 -1.25 -1.87 121.20 119.26 2g50 s ILE 155 Ca -0.09 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.29 2g50 s ILE 155 Cb 0.11 -0.97 0.02 0.00 0.01 0.00 0.00 42.46 41.63 2g50 s ILE 155 CO 0.87 0.35 -0.12 -0.22 0.00 0.00 0.00 174.94 175.82 2g50 s LEU 156 N 1.48 1.49 -0.07 2.97 2.96 -0.50 0.60 118.68 127.60 2g50 s LEU 156 Ca 0.00 -0.39 -0.14 0.00 -0.22 0.00 0.00 54.13 53.38 2g50 s LEU 156 Cb -0.13 -1.00 -0.05 0.00 0.50 0.00 0.00 46.19 45.51 2g50 s LEU 156 CO -0.05 -0.06 0.36 0.86 -1.32 0.00 0.00 176.35 176.13 2g50 s TRP 157 N 1.43 3.62 0.15 5.38 -0.00 -1.26 -0.11 118.94 128.16 2g50 s TRP 157 Ca 0.02 0.83 0.05 0.00 -0.00 0.00 0.00 56.10 56.99 2g50 s TRP 157 Cb -0.13 -2.29 -0.04 0.00 -0.00 0.00 0.00 33.47 31.00 2g50 s TRP 157 CO -0.07 0.49 -0.10 -0.48 -0.00 0.00 0.00 176.95 176.79 2g50 s LEU 158 N -0.47 2.53 0.00 5.86 0.05 -1.16 -1.21 118.68 124.28 2g50 s LEU 158 Ca 0.21 -1.02 0.23 0.00 0.05 0.00 0.00 54.13 53.61 2g50 s LEU 158 Cb -0.15 -0.38 0.78 0.00 -2.05 0.00 0.00 46.19 44.39 2g50 s LEU 158 CO 0.09 -0.32 1.58 -0.90 -0.55 0.00 0.00 176.35 176.26 2g50 n ASP 159 N -0.22 1.82 -4.42 1.48 3.85 -0.78 -4.76 116.55 113.52 2g50 n ASP 159 Ca -0.10 -1.69 -0.44 0.00 -0.71 0.00 0.00 54.79 51.86 2g50 n ASP 159 Cb 0.61 -0.08 -0.05 0.00 -1.35 0.00 0.00 41.12 40.24 2g50 n ASP 159 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.20 175.72 2g50 s TYR 160 N -1.84 2.94 0.28 2.11 5.04 -1.26 -4.93 117.35 119.70 2g50 s TYR 160 Ca 0.34 -0.67 0.13 0.00 -2.44 0.00 0.00 57.07 54.43 2g50 s TYR 160 Cb 0.19 -3.90 0.52 0.00 0.35 0.00 0.00 41.96 39.12 2g50 s TYR 160 CO 0.29 -1.27 1.69 0.87 -1.34 0.00 0.00 175.55 175.79 2g50 h LYS 161 N 9.20 0.00 -0.66 4.97 1.79 -1.98 -3.08 116.57 126.81 2g50 h LYS 161 Ca -0.28 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 2g50 h LYS 161 Cb 1.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.74 2g50 h LYS 161 CO 1.07 0.51 0.00 0.09 -1.08 0.00 0.00 179.45 180.04 2g50 n ASN 162 N -3.81 3.88 -0.09 0.86 4.13 -1.26 -4.57 115.26 114.39 2g50 n ASN 162 Ca -0.01 -2.47 -0.07 0.00 1.68 0.00 0.00 54.58 53.70 2g50 n ASN 162 Cb 0.54 -0.55 0.00 0.00 -1.54 0.00 0.00 39.78 38.23 2g50 n ASN 162 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 2g50 h ILE 163 N 2.83 0.92 0.00 2.41 2.10 -1.97 -1.95 117.51 121.86 2g50 h ILE 163 Ca 0.00 -0.09 -0.01 0.00 1.08 0.00 0.00 64.86 65.85 2g50 h ILE 163 Cb 1.30 0.64 -0.00 0.00 -1.09 0.00 0.00 36.82 37.68 2g50 h ILE 163 CO 0.25 0.05 -0.03 0.00 -1.08 0.00 0.00 178.15 177.34 2g50 n LYS 165 N -3.43 1.80 0.00 0.00 4.76 -0.74 -4.20 118.16 116.36 2g50 n LYS 165 Ca -0.02 -1.22 0.00 0.00 -2.87 0.00 0.00 58.31 54.19 2g50 n LYS 165 Cb 0.14 -1.36 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 2g50 n LYS 165 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 2g50 n VAL 166 N 0.46 0.00 -3.89 -0.18 3.14 -0.36 -5.09 118.33 112.41 2g50 n VAL 166 Ca 0.15 -0.01 -0.23 0.00 -2.96 0.00 0.00 64.34 61.28 2g50 n VAL 166 Cb 0.33 0.21 -0.02 0.00 -1.06 0.00 0.00 33.84 33.30 2g50 n VAL 166 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 2g50 s VAL 167 N -0.24 5.26 0.38 1.55 -7.23 -0.34 -4.46 120.40 115.33 2g50 s VAL 167 Ca 0.00 -0.80 0.04 0.00 -1.81 0.00 0.00 61.98 59.41 2g50 s VAL 167 Cb 0.00 -3.81 -0.05 0.00 0.56 0.00 0.00 36.38 33.07 2g50 s VAL 167 CO 0.00 -0.26 0.05 -1.81 -0.31 0.00 0.00 175.10 172.77 2g50 s ASP 168 N -3.69 3.00 -0.02 4.85 1.01 -1.26 -4.88 116.67 115.69 2g50 s ASP 168 Ca 0.35 -1.46 -0.30 0.00 0.71 0.00 0.00 52.55 51.85 2g50 s ASP 168 Cb -0.10 0.03 -0.05 0.00 1.01 0.00 0.00 42.92 43.81 2g50 s ASP 168 CO 0.29 -0.66 1.44 -0.69 0.21 0.00 0.00 175.17 175.76 2g50 s VAL 169 N -3.10 3.71 0.00 -1.27 1.01 -1.26 -2.40 120.40 117.09 2g50 s VAL 169 Ca 0.30 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.33 2g50 s VAL 169 Cb 0.07 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.78 2g50 s VAL 169 CO 0.14 -0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.83 2g50 n GLY 170 N 3.73 0.18 3.80 4.51 0.00 0.14 -5.01 105.19 112.54 2g50 n GLY 170 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2g50 n GLY 170 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2g50 s SER 171 N -2.20 5.68 -0.10 1.61 1.04 -1.01 -4.71 113.70 114.01 2g50 s SER 171 Ca 0.00 1.81 -0.05 0.00 0.48 0.00 0.00 55.95 58.19 2g50 s SER 171 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 2g50 s SER 171 CO 0.00 -1.24 0.07 -0.54 0.98 0.00 0.00 173.24 172.52 2g50 s LYS 172 N -4.19 3.23 -0.12 4.02 1.02 -1.26 -1.43 119.74 121.01 2g50 s LYS 172 Ca 0.63 -0.26 0.02 0.00 0.02 0.00 0.00 55.97 56.38 2g50 s LYS 172 Cb -0.16 -3.00 0.01 0.00 -0.52 0.00 0.00 37.83 34.16 2g50 s LYS 172 CO 0.39 0.74 -0.18 0.54 -0.92 0.00 0.00 175.35 175.92 2g50 s VAL 173 N -0.94 1.70 -0.03 3.17 0.11 0.33 -4.36 120.40 120.37 2g50 s VAL 173 Ca 0.14 -0.77 0.00 0.00 -2.93 0.00 0.00 61.98 58.42 2g50 s VAL 173 Cb -0.12 -1.53 -0.04 0.00 -1.53 0.00 0.00 36.38 33.17 2g50 s VAL 173 CO 0.03 0.48 0.02 -0.31 -3.33 0.00 0.00 175.10 171.99 2g50 s TYR 174 N 0.88 3.15 -0.01 1.54 1.51 -0.42 -0.47 117.35 123.52 2g50 s TYR 174 Ca -0.08 0.14 0.01 0.00 -1.01 0.00 0.00 57.07 56.13 2g50 s TYR 174 Cb -0.15 -1.72 0.01 0.00 -0.11 0.00 0.00 41.96 39.99 2g50 s TYR 174 CO -0.01 0.49 -0.04 0.08 -1.11 0.00 0.00 175.55 174.96 2g50 s VAL 175 N -1.05 0.35 -0.44 0.71 1.01 0.37 -0.87 120.40 120.47 2g50 s VAL 175 Ca 0.18 -0.13 -0.14 0.00 0.00 0.00 0.00 61.98 61.89 2g50 s VAL 175 Cb -0.12 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 35.94 2g50 s VAL 175 CO 0.09 0.13 0.59 -0.67 0.00 0.00 0.00 175.10 175.24 2g50 n ASP 176 N 3.36 -7.78 -2.93 3.32 2.03 0.74 -1.68 116.55 113.62 2g50 n ASP 176 Ca -0.18 0.47 -0.21 0.00 0.52 0.00 0.00 54.79 55.39 2g50 n ASP 176 Cb 0.56 -5.27 0.01 0.00 -0.72 0.00 0.00 41.12 35.70 2g50 n ASP 176 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2g50 n ASP 177 N -0.43 -5.24 -0.05 1.67 8.00 -1.26 -1.83 116.55 117.40 2g50 n ASP 177 Ca 0.11 -0.20 -0.01 0.00 0.71 0.00 0.00 54.79 55.39 2g50 n ASP 177 Cb 0.45 -4.30 -0.00 0.00 -0.02 0.00 0.00 41.12 37.25 2g50 n ASP 177 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2g50 n GLY 178 N -1.27 0.24 0.16 0.44 0.00 -1.25 -4.88 105.19 98.63 2g50 n GLY 178 Ca -0.12 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 2g50 n GLY 178 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2g50 h LEU 179 N 0.00 0.53 -9.24 0.99 3.38 -1.35 -3.44 115.31 106.18 2g50 h LEU 179 Ca -0.01 -0.41 -0.64 0.00 0.09 0.00 0.00 57.88 56.91 2g50 h LEU 179 Cb 0.66 -0.16 -0.14 0.00 0.09 0.00 0.00 40.66 41.11 2g50 h LEU 179 CO 0.02 1.20 -0.55 -0.63 0.09 0.00 0.00 178.44 178.57 2g50 s ILE 180 N -3.33 4.88 -0.04 1.22 1.01 -0.67 -4.69 121.20 119.58 2g50 s ILE 180 Ca -0.06 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.63 2g50 s ILE 180 Cb 0.09 -3.16 -0.00 0.00 0.01 0.00 0.00 42.46 39.39 2g50 s ILE 180 CO 0.86 0.52 -0.17 -0.94 0.00 0.00 0.00 174.94 175.20 2g50 s SER 181 N -0.12 2.19 0.13 3.58 1.04 -0.86 -0.48 113.70 119.18 2g50 s SER 181 Ca 0.07 -0.36 0.07 0.00 0.48 0.00 0.00 55.95 56.22 2g50 s SER 181 Cb -0.12 -0.61 -0.04 0.00 0.10 0.00 0.00 66.02 65.36 2g50 s SER 181 CO 0.01 0.16 -0.17 -0.76 0.98 0.00 0.00 173.24 173.46 2g50 s LEU 182 N 0.03 2.40 -0.09 2.42 1.43 0.38 0.09 118.68 125.34 2g50 s LEU 182 Ca -0.04 -0.81 0.02 0.00 -1.03 0.00 0.00 54.13 52.28 2g50 s LEU 182 Cb -0.12 -0.71 0.01 0.00 0.03 0.00 0.00 46.19 45.40 2g50 s LEU 182 CO 0.02 -0.07 -0.16 -1.58 0.23 0.00 0.00 176.35 174.79 2g50 s GLN 183 N -2.57 2.20 -0.07 1.70 0.74 -0.70 -0.52 119.66 120.44 2g50 s GLN 183 Ca 0.11 -0.57 -0.29 0.00 0.05 0.00 0.00 55.36 54.65 2g50 s GLN 183 Cb -0.06 -1.78 -0.07 0.00 1.10 0.00 0.00 33.01 32.20 2g50 s GLN 183 CO 0.05 0.03 1.92 0.08 -0.55 0.00 0.00 175.29 176.82 2g50 s VAL 184 N 0.70 3.21 -0.16 1.34 1.01 -0.51 -1.95 120.40 124.03 2g50 s VAL 184 Ca -0.13 0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.17 2g50 s VAL 184 Cb -0.16 -3.18 -0.15 0.00 0.00 0.00 0.00 36.38 32.88 2g50 s VAL 184 CO 0.03 -0.05 -0.05 0.29 0.00 0.00 0.00 175.10 175.32 2g50 n LYS 185 N 7.75 1.09 -4.07 2.72 4.76 0.26 0.23 118.16 130.90 2g50 n LYS 185 Ca 0.21 0.05 -0.14 0.00 -2.87 0.00 0.00 58.31 55.56 2g50 n LYS 185 Cb 0.43 -1.37 -0.14 0.00 -1.84 0.00 0.00 35.03 32.11 2g50 n LYS 185 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2g50 s GLN 186 N -2.36 0.33 -0.03 1.97 0.74 0.07 -4.89 119.66 115.50 2g50 s GLN 186 Ca -0.16 -0.25 -0.23 0.00 0.05 0.00 0.00 55.36 54.77 2g50 s GLN 186 Cb 0.05 -0.26 -0.04 0.00 1.10 0.00 0.00 33.01 33.85 2g50 s GLN 186 CO 0.52 0.07 0.69 0.21 -0.55 0.00 0.00 175.29 176.22 2g50 s LYS 187 N -0.38 4.42 0.00 1.67 2.47 -1.26 -0.55 119.74 126.11 2g50 s LYS 187 Ca -0.01 0.88 0.00 0.00 -1.56 0.00 0.00 55.97 55.28 2g50 s LYS 187 Cb -0.03 -3.40 0.00 0.00 -1.46 0.00 0.00 37.83 32.94 2g50 s LYS 187 CO -0.00 0.19 0.00 1.97 0.16 0.00 0.00 175.35 177.67 2g50 n PHE 191 N 3.30 0.00 -4.01 4.03 -1.74 -1.26 -4.91 117.46 112.87 2g50 n PHE 191 Ca -0.03 0.00 -0.26 0.00 -0.56 0.00 0.00 57.45 56.61 2g50 n PHE 191 Cb 0.51 0.00 -0.17 0.00 1.52 0.00 0.00 39.48 41.34 2g50 n PHE 191 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2g50 s LEU 192 N -0.68 1.20 -0.28 5.98 1.43 0.03 -4.98 118.68 121.38 2g50 s LEU 192 Ca 0.00 -0.26 -0.18 0.00 -1.03 0.00 0.00 54.13 52.65 2g50 s LEU 192 Cb 0.00 -0.77 -0.02 0.00 0.03 0.00 0.00 46.19 45.43 2g50 s LEU 192 CO 0.00 -0.10 0.52 -0.69 0.23 0.00 0.00 176.35 176.31 2g50 s VAL 193 N 1.52 5.05 0.39 -1.59 1.01 0.29 0.11 120.40 127.19 2g50 s VAL 193 Ca 0.01 0.81 0.05 0.00 0.00 0.00 0.00 61.98 62.86 2g50 s VAL 193 Cb -0.13 -3.86 -0.07 0.00 0.00 0.00 0.00 36.38 32.32 2g50 s VAL 193 CO -0.05 0.03 0.03 0.42 0.00 0.00 0.00 175.10 175.53 2g50 s THR 194 N 2.34 1.65 0.03 3.92 -4.23 0.57 -0.57 115.64 119.35 2g50 s THR 194 Ca 0.21 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.77 2g50 s THR 194 Cb -0.16 -2.85 -0.02 0.00 1.34 0.00 0.00 72.50 70.81 2g50 s THR 194 CO 0.10 0.00 -0.15 -1.83 -0.54 0.00 0.00 174.62 172.20 2g50 s GLU 195 N -3.78 1.05 -0.14 3.99 -1.05 -0.82 -0.05 118.70 117.90 2g50 s GLU 195 Ca 0.33 -0.75 -0.29 0.00 -0.15 0.00 0.00 54.97 54.11 2g50 s GLU 195 Cb 0.09 -1.07 -0.03 0.00 -0.44 0.00 0.00 34.13 32.68 2g50 s GLU 195 CO 0.16 0.27 1.38 0.08 0.95 0.00 0.00 175.26 178.10 2g50 s VAL 196 N -0.75 4.07 -0.01 1.83 1.01 0.29 -1.71 120.40 125.13 2g50 s VAL 196 Ca 0.03 1.29 -0.01 0.00 0.00 0.00 0.00 61.98 63.30 2g50 s VAL 196 Cb -0.08 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.46 2g50 s VAL 196 CO 0.01 -0.13 -0.01 -0.33 0.00 0.00 0.00 175.10 174.64 2g50 h GLU 197 N 8.65 0.00 -5.15 2.72 5.08 -0.69 0.13 114.58 125.33 2g50 h GLU 197 Ca -0.30 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.44 2g50 h GLU 197 Cb 1.12 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.24 2g50 h GLU 197 CO 0.97 0.00 -0.45 -0.80 -1.00 0.00 0.00 179.01 177.73 2g50 s ASN 198 N -3.54 6.17 0.26 1.42 0.01 -1.04 -4.61 114.94 113.62 2g50 s ASN 198 Ca -0.01 0.18 0.00 0.00 -0.71 0.00 0.00 52.86 52.33 2g50 s ASN 198 Cb 0.00 -2.13 0.00 0.00 0.41 0.00 0.00 41.25 39.53 2g50 s ASN 198 CO 0.01 0.04 0.00 0.61 -1.51 0.00 0.00 177.10 176.25 2g50 n GLY 199 N 4.21 0.77 0.00 0.66 0.00 -1.26 -2.04 105.19 107.54 2g50 n GLY 199 Ca -0.14 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 43.96 2g50 n GLY 199 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2g50 n GLY 200 N 5.00 2.43 3.77 -0.02 0.00 -1.13 -4.64 105.19 110.59 2g50 n GLY 200 Ca 0.00 -1.86 -0.39 0.00 0.00 0.00 0.00 46.02 43.77 2g50 n GLY 200 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2g50 s PHE 201 N -1.67 2.91 -0.14 1.61 0.08 -1.26 -2.20 117.98 117.31 2g50 s PHE 201 Ca 0.00 1.46 0.00 0.00 0.12 0.00 0.00 56.93 58.51 2g50 s PHE 201 Cb 0.00 -3.59 0.02 0.00 -0.57 0.00 0.00 43.02 38.89 2g50 s PHE 201 CO 0.00 -1.83 -0.12 -1.17 -0.10 0.00 0.00 175.22 171.99 2g50 s LEU 202 N -2.39 1.54 0.00 -0.37 2.96 0.10 -4.92 118.68 115.60 2g50 s LEU 202 Ca 0.56 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 2g50 s LEU 202 Cb -0.36 -1.08 0.00 0.00 0.50 0.00 0.00 46.19 45.25 2g50 s LEU 202 CO 0.46 -0.08 0.00 0.61 -1.32 0.00 0.00 176.35 176.03 2g50 n GLY 203 N 4.82 1.01 3.80 7.98 0.00 -1.26 -0.57 105.19 120.97 2g50 n GLY 203 Ca -0.16 -1.76 -0.31 0.00 0.00 0.00 0.00 46.02 43.79 2g50 n GLY 203 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2g50 s SER 204 N -1.00 5.66 -1.32 1.61 0.01 -1.26 -4.67 113.70 112.73 2g50 s SER 204 Ca 0.00 0.04 -0.03 0.00 1.31 0.00 0.00 55.95 57.27 2g50 s SER 204 Cb 0.00 -1.56 0.01 0.00 0.21 0.00 0.00 66.02 64.68 2g50 s SER 204 CO 0.00 0.18 0.91 1.17 0.41 0.00 0.00 173.24 175.91 2g50 n LYS 205 N 0.50 -5.98 -3.36 12.44 3.00 -0.28 -4.98 118.16 119.51 2g50 n LYS 205 Ca -0.08 0.72 -0.31 0.00 -0.00 0.00 0.00 58.31 58.63 2g50 n LYS 205 Cb 0.52 -5.54 -0.05 0.00 0.00 0.00 0.00 35.03 29.96 2g50 n LYS 205 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2g50 s LYS 206 N -5.94 3.75 0.38 1.64 -0.14 -1.26 -4.72 119.74 113.44 2g50 s LYS 206 Ca 0.19 0.21 -0.26 0.00 -1.36 0.00 0.00 55.97 54.75 2g50 s LYS 206 Cb -0.09 -2.63 -0.09 0.00 -1.68 0.00 0.00 37.83 33.34 2g50 s LYS 206 CO 0.78 0.26 1.16 0.20 -0.76 0.00 0.00 175.35 176.99 2g50 s GLY 207 N -2.65 2.89 -0.07 -3.33 0.00 -1.26 -1.66 107.32 101.23 2g50 s GLY 207 Ca 0.47 0.96 0.05 0.00 0.00 0.00 0.00 44.72 46.19 2g50 s GLY 207 CO 0.24 1.48 -0.23 0.14 0.00 0.00 0.00 173.10 174.74 2g50 s VAL 208 N -1.39 1.90 -0.04 1.40 1.01 -0.03 -0.18 120.40 123.07 2g50 s VAL 208 Ca 0.55 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.64 2g50 s VAL 208 Cb -0.31 -1.63 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 2g50 s VAL 208 CO 0.39 0.53 -0.22 0.20 0.00 0.00 0.00 175.10 175.99 2g50 s ASN 209 N 0.13 3.36 -0.69 3.32 0.01 -0.05 -4.35 114.94 116.67 2g50 s ASN 209 Ca -0.11 -0.39 0.05 0.00 -0.71 0.00 0.00 52.86 51.70 2g50 s ASN 209 Cb -0.15 -0.58 0.17 0.00 0.41 0.00 0.00 41.25 41.10 2g50 s ASN 209 CO 0.06 0.32 0.49 0.18 -1.51 0.00 0.00 177.10 176.63 2g50 n LEU 210 N 2.49 2.81 -4.76 0.60 4.77 -1.26 -1.30 117.00 120.34 2g50 n LEU 210 Ca -0.17 -5.16 -0.41 0.00 -0.03 0.00 0.00 56.01 50.24 2g50 n LEU 210 Cb 0.51 -0.66 -0.02 0.00 -2.33 0.00 0.00 43.42 40.92 2g50 n LEU 210 CO 0.24 1.77 1.02 -2.84 -1.33 0.00 0.00 177.39 176.26 2g50 s PRO 211 N -1.40 4.32 0.00 3.23 0.02 -1.26 -2.66 135.00 137.25 2g50 s PRO 211 Ca 0.26 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.52 2g50 s PRO 211 Cb -0.03 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.40 2g50 s PRO 211 CO -0.17 -0.27 0.00 0.41 -0.33 0.00 0.00 177.00 176.64 2g50 n GLY 212 N 1.30 2.94 3.79 0.52 0.00 -1.26 -4.77 105.19 107.71 2g50 n GLY 212 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 2g50 n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g50 s ALA 213 N -1.51 3.17 -1.22 4.61 0.00 -1.09 -4.99 121.76 120.74 2g50 s ALA 213 Ca 0.00 0.53 -0.06 0.00 0.00 0.00 0.00 51.96 52.43 2g50 s ALA 213 Cb 0.00 -3.19 0.20 0.00 0.00 0.00 0.00 23.12 20.13 2g50 s ALA 213 CO 0.00 0.12 2.00 0.00 0.00 0.00 0.00 175.76 177.89 2g50 n ALA 214 N 0.31 6.02 -1.72 0.00 0.00 -1.26 -5.00 120.51 118.86 2g50 n ALA 214 Ca 0.03 -4.36 -0.63 0.00 0.00 0.00 0.00 53.44 48.48 2g50 n ALA 214 Cb 0.51 -2.66 -0.09 0.00 0.00 0.00 0.00 19.45 17.21 2g50 n ALA 214 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2g50 n VAL 215 N 1.80 0.13 -0.95 0.00 0.31 -1.26 -4.86 118.33 113.49 2g50 n VAL 215 Ca 0.48 -0.02 0.03 0.00 -0.01 0.00 0.00 64.34 64.81 2g50 n VAL 215 Cb 0.29 -0.79 0.38 0.00 -0.91 0.00 0.00 33.84 32.82 2g50 n VAL 215 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2g50 n ASP 216 N 4.42 5.50 -4.76 4.52 5.75 -1.26 -4.97 116.55 125.74 2g50 n ASP 216 Ca 0.28 -3.03 -0.35 0.00 -0.01 0.00 0.00 54.79 51.69 2g50 n ASP 216 Cb 0.03 -0.71 0.03 0.00 -1.03 0.00 0.00 41.12 39.44 2g50 n ASP 216 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2g50 s LEU 217 N -2.85 3.59 0.39 -2.12 1.43 -1.26 -4.99 118.68 112.88 2g50 s LEU 217 Ca 0.55 2.21 -0.26 0.00 -1.03 0.00 0.00 54.13 55.60 2g50 s LEU 217 Cb 0.43 -4.58 -0.09 0.00 0.03 0.00 0.00 46.19 41.98 2g50 s LEU 217 CO 0.15 -1.53 1.22 -2.16 0.23 0.00 0.00 176.35 174.26 2g50 s PRO 218 N -3.56 4.07 0.26 1.29 0.04 -1.26 -4.92 135.00 130.92 2g50 s PRO 218 Ca 0.73 1.97 -0.03 0.00 0.04 0.00 0.00 61.00 63.71 2g50 s PRO 218 Cb -0.25 -2.76 0.38 0.00 0.04 0.00 0.00 34.50 31.90 2g50 s PRO 218 CO 0.34 -0.34 1.88 0.00 0.04 0.00 0.00 177.00 178.92 2g50 h ALA 219 N 2.76 1.34 -3.48 8.56 0.00 -1.94 -3.38 119.26 123.13 2g50 h ALA 219 Ca -0.49 -0.02 -0.60 0.00 0.00 0.00 0.00 54.91 53.80 2g50 h ALA 219 Cb 1.24 -0.30 -0.39 0.00 0.00 0.00 0.00 17.79 18.33 2g50 h ALA 219 CO 0.63 0.43 -0.77 0.08 0.00 0.00 0.00 179.25 179.62 2g50 s VAL 220 N -6.05 1.34 0.82 0.00 1.01 -1.26 -4.44 120.40 111.81 2g50 s VAL 220 Ca -0.13 -1.32 -0.10 0.00 0.00 0.00 0.00 61.98 60.43 2g50 s VAL 220 Cb 0.20 -1.78 0.12 0.00 0.00 0.00 0.00 36.38 34.92 2g50 s VAL 220 CO 0.81 -0.32 1.15 -0.94 0.00 0.00 0.00 175.10 175.80 2g50 s SER 221 N 1.44 4.08 0.31 3.32 1.04 -1.26 -4.86 113.70 117.77 2g50 s SER 221 Ca 0.01 0.31 -0.01 0.00 0.48 0.00 0.00 55.95 56.74 2g50 s SER 221 Cb -0.18 -0.67 0.50 0.00 0.10 0.00 0.00 66.02 65.76 2g50 s SER 221 CO -0.11 -2.10 1.96 1.05 0.98 0.00 0.00 173.24 175.02 2g50 h GLU 222 N -1.04 1.03 -0.45 4.02 4.11 -1.99 -1.06 114.58 119.19 2g50 h GLU 222 Ca -0.43 -0.06 -0.02 0.00 0.07 0.00 0.00 59.36 58.92 2g50 h GLU 222 Cb 1.28 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 2g50 h GLU 222 CO 0.50 0.68 0.22 -0.22 0.07 0.00 0.00 179.01 180.26 2g50 h LYS 223 N 1.06 0.65 -0.80 1.06 3.64 -2.00 -2.13 116.57 118.06 2g50 h LYS 223 Ca 0.31 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 2g50 h LYS 223 Cb -0.04 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 31.62 2g50 h LYS 223 CO -0.08 0.55 0.47 -0.44 -2.27 0.00 0.00 179.45 177.68 2g50 h ASP 224 N 0.59 0.97 -0.45 4.20 3.32 -1.79 -1.18 116.42 122.08 2g50 h ASP 224 Ca 0.16 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.14 2g50 h ASP 224 Cb 0.11 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 2g50 h ASP 224 CO -0.02 0.76 0.29 0.40 -1.72 0.00 0.00 179.24 178.95 2g50 h ILE 225 N 1.10 1.10 -0.86 0.35 2.04 -1.02 0.11 117.51 120.33 2g50 h ILE 225 Ca 0.28 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.96 2g50 h ILE 225 Cb -0.02 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 2g50 h ILE 225 CO -0.05 0.11 0.56 1.56 0.00 0.00 0.00 178.15 180.33 2g50 h GLN 226 N 0.59 1.09 -0.41 2.37 4.20 -1.06 -1.42 115.11 120.47 2g50 h GLN 226 Ca 0.17 -0.07 -0.14 0.00 0.06 0.00 0.00 58.65 58.67 2g50 h GLN 226 Cb -0.05 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.47 2g50 h GLN 226 CO -0.05 0.72 -0.31 -0.44 -0.67 0.00 0.00 178.83 178.09 2g50 h ASP 227 N 1.12 0.95 -0.44 1.46 3.32 -0.74 -1.87 116.42 120.22 2g50 h ASP 227 Ca 0.33 -0.40 -0.10 0.00 0.02 0.00 0.00 57.03 56.89 2g50 h ASP 227 Cb -0.07 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.20 2g50 h ASP 227 CO -0.09 1.18 -0.10 -0.07 -1.72 0.00 0.00 179.24 178.44 2g50 h LEU 228 N 0.77 0.85 -0.68 1.55 3.38 -0.60 -0.84 115.31 119.73 2g50 h LEU 228 Ca 0.08 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.71 2g50 h LEU 228 Cb 0.88 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 2g50 h LEU 228 CO 0.08 1.01 0.43 0.11 0.09 0.00 0.00 178.44 180.16 2g50 h LYS 229 N 0.67 0.84 -0.81 1.13 1.79 -1.23 -1.75 116.57 117.21 2g50 h LYS 229 Ca 0.11 -0.05 0.06 0.00 -2.18 0.00 0.00 60.65 58.59 2g50 h LYS 229 Cb 0.63 -0.19 -0.06 0.00 -1.58 0.00 0.00 32.23 31.03 2g50 h LYS 229 CO 0.04 0.55 0.50 0.35 -1.08 0.00 0.00 179.45 179.81 2g50 h PHE 230 N 0.86 0.92 -0.78 -1.35 3.57 -1.10 -1.10 116.94 117.96 2g50 h PHE 230 Ca 0.26 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.79 2g50 h PHE 230 Cb -0.03 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.38 2g50 h PHE 230 CO -0.04 0.47 0.49 0.78 -2.23 0.00 0.00 178.31 177.78 2g50 h GLY 231 N 0.91 1.13 0.91 2.40 0.00 -0.42 0.73 103.07 108.73 2g50 h GLY 231 Ca 0.35 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 2g50 h GLY 231 CO -0.17 0.44 0.10 -2.08 0.00 0.00 0.00 176.54 174.83 2g50 h VAL 232 N 1.07 1.14 -0.56 4.60 2.07 -0.93 -1.37 116.25 122.27 2g50 h VAL 232 Ca 0.28 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.43 2g50 h VAL 232 Cb -0.07 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2g50 h VAL 232 CO -0.06 0.14 0.37 -0.33 0.02 0.00 0.00 177.57 177.71 2g50 h GLU 233 N 0.20 0.60 -0.21 1.57 5.08 -0.82 -2.32 114.58 118.68 2g50 h GLU 233 Ca 0.07 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2g50 h GLU 233 Cb 0.13 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2g50 h GLU 233 CO -0.01 0.40 0.00 1.04 -1.00 0.00 0.00 179.01 179.44 2g50 n GLN 234 N -4.47 1.95 -3.48 2.33 1.13 0.21 -4.95 117.38 110.10 2g50 n GLN 234 Ca 0.07 -1.43 -0.23 0.00 -1.94 0.00 0.00 57.00 53.47 2g50 n GLN 234 Cb 0.16 -1.43 0.07 0.00 0.11 0.00 0.00 30.24 29.15 2g50 n GLN 234 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2g50 n ASP 235 N 0.66 -6.28 -4.75 1.08 2.03 -0.60 -4.97 116.55 103.72 2g50 n ASP 235 Ca 0.17 -0.49 -0.33 0.00 0.52 0.00 0.00 54.79 54.66 2g50 n ASP 235 Cb 0.41 -4.94 0.08 0.00 -0.72 0.00 0.00 41.12 35.94 2g50 n ASP 235 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2g50 s VAL 236 N -3.29 2.84 -0.07 5.18 -7.23 -0.72 -4.96 120.40 112.15 2g50 s VAL 236 Ca 0.53 0.38 0.14 0.00 -1.81 0.00 0.00 61.98 61.22 2g50 s VAL 236 Cb -0.23 -2.87 -0.17 0.00 0.56 0.00 0.00 36.38 33.66 2g50 s VAL 236 CO 0.66 -0.25 0.82 0.44 -0.31 0.00 0.00 175.10 176.46 2g50 h ASP 237 N -0.32 0.00 -5.01 4.85 3.32 -1.40 -3.46 116.42 114.41 2g50 h ASP 237 Ca -0.46 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.54 2g50 h ASP 237 Cb 1.26 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.65 2g50 h ASP 237 CO 0.51 0.78 0.14 0.00 -1.72 0.00 0.00 179.24 178.95 2g50 s MET 238 N -2.78 1.11 -0.08 3.56 0.23 -1.17 -2.32 119.30 117.86 2g50 s MET 238 Ca -0.03 -0.10 0.05 0.00 -1.03 0.00 0.00 55.69 54.57 2g50 s MET 238 Cb 0.08 0.51 -0.01 0.00 -1.53 0.00 0.00 34.83 33.89 2g50 s MET 238 CO 0.81 -0.40 -0.23 0.08 -2.03 0.00 0.00 175.02 173.25 2g50 s VAL 239 N -2.29 2.25 -0.45 5.16 1.01 0.21 -1.62 120.40 124.67 2g50 s VAL 239 Ca -0.06 -0.98 -0.13 0.00 0.00 0.00 0.00 61.98 60.81 2g50 s VAL 239 Cb -0.01 -1.85 0.07 0.00 0.00 0.00 0.00 36.38 34.60 2g50 s VAL 239 CO -0.00 0.56 0.35 -0.36 0.00 0.00 0.00 175.10 175.65 2g50 s PHE 240 N -0.03 3.27 -0.29 5.22 0.08 0.63 -0.36 117.98 126.50 2g50 s PHE 240 Ca -0.07 -1.11 -0.21 0.00 0.12 0.00 0.00 56.93 55.67 2g50 s PHE 240 Cb -0.15 -3.07 -0.01 0.00 -0.57 0.00 0.00 43.02 39.22 2g50 s PHE 240 CO 0.05 -0.80 0.65 0.00 -0.10 0.00 0.00 175.22 175.01 2g50 s ALA 241 N 1.57 3.55 0.37 5.36 0.00 0.04 -1.36 121.76 131.29 2g50 s ALA 241 Ca 0.04 -0.57 -0.26 0.00 0.00 0.00 0.00 51.96 51.17 2g50 s ALA 241 Cb -0.24 -3.10 -0.09 0.00 0.00 0.00 0.00 23.12 19.69 2g50 s ALA 241 CO 0.05 -1.02 1.07 -1.12 0.00 0.00 0.00 175.76 174.75 2g50 s SER 242 N 1.60 6.87 -1.41 0.00 0.01 -1.26 -1.07 113.70 118.43 2g50 s SER 242 Ca 0.26 2.13 -0.09 0.00 1.31 0.00 0.00 55.95 59.56 2g50 s SER 242 Cb -0.15 -2.60 0.04 0.00 0.21 0.00 0.00 66.02 63.52 2g50 s SER 242 CO 0.11 -0.41 1.02 0.49 0.41 0.00 0.00 173.24 174.86 2g50 n PHE 243 N 0.29 -2.46 -2.09 2.43 3.72 -1.25 -4.67 117.46 113.44 2g50 n PHE 243 Ca 0.03 0.94 -0.42 0.00 -0.05 0.00 0.00 57.45 57.95 2g50 n PHE 243 Cb 0.48 -4.51 -0.03 0.00 -0.94 0.00 0.00 39.48 34.48 2g50 n PHE 243 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2g50 s ILE 244 N -3.36 3.55 -0.02 4.37 -1.09 -1.01 -4.89 121.20 118.75 2g50 s ILE 244 Ca 0.50 0.84 0.12 0.00 -2.23 0.00 0.00 60.65 59.88 2g50 s ILE 244 Cb -0.24 -3.54 -0.19 0.00 -1.58 0.00 0.00 42.46 36.91 2g50 s ILE 244 CO 0.78 -0.03 0.27 0.54 -1.23 0.00 0.00 174.94 175.27 2g50 n ARG 245 N 6.18 0.38 -3.62 2.79 1.74 -1.26 -4.29 116.66 118.58 2g50 n ARG 245 Ca 0.15 -0.11 -0.09 0.00 -0.77 0.00 0.00 57.85 57.03 2g50 n ARG 245 Cb 0.43 -1.29 -0.02 0.00 -1.02 0.00 0.00 32.46 30.55 2g50 n ARG 245 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 2g50 s LYS 246 N -2.86 1.38 0.34 5.56 -2.85 -1.26 -4.08 119.74 115.97 2g50 s LYS 246 Ca -0.05 -0.64 0.08 0.00 -1.00 0.00 0.00 55.97 54.36 2g50 s LYS 246 Cb 0.08 0.55 0.78 0.00 -2.06 0.00 0.00 37.83 37.17 2g50 s LYS 246 CO 0.52 -0.62 1.86 0.00 0.10 0.00 0.00 175.35 177.21 2g50 h ALA 247 N 2.00 1.78 -0.66 0.59 0.00 -1.87 -1.63 119.26 119.47 2g50 h ALA 247 Ca -0.26 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.73 2g50 h ALA 247 Cb 1.27 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 2g50 h ALA 247 CO 0.31 -0.03 0.44 0.00 0.00 0.00 0.00 179.25 179.96 2g50 h ALA 248 N 1.59 1.76 -0.65 0.00 0.00 -1.96 -1.14 119.26 118.86 2g50 h ALA 248 Ca 0.46 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.31 2g50 h ALA 248 Cb 0.70 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2g50 h ALA 248 CO -0.22 0.13 0.26 -0.44 0.00 0.00 0.00 179.25 178.98 2g50 h ASP 249 N 0.67 0.90 -0.40 0.00 3.32 -1.71 -1.77 116.42 117.43 2g50 h ASP 249 Ca 0.29 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 2g50 h ASP 249 Cb 0.27 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 2g50 h ASP 249 CO -0.09 0.83 0.15 0.58 -1.72 0.00 0.00 179.24 178.99 2g50 h VAL 250 N 0.92 1.20 -0.53 -1.35 2.07 -1.29 -2.47 116.25 114.80 2g50 h VAL 250 Ca 0.22 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 67.13 2g50 h VAL 250 Cb 0.21 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 2g50 h VAL 250 CO -0.02 0.23 0.35 0.45 0.02 0.00 0.00 177.57 178.60 2g50 h HIS 251 N 0.50 0.62 0.00 1.57 3.86 -1.01 -0.64 115.15 120.05 2g50 h HIS 251 Ca 0.13 0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.19 2g50 h HIS 251 Cb 0.21 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 2g50 h HIS 251 CO 0.00 0.37 -0.79 1.05 0.86 0.00 0.00 177.93 179.43 2g50 h GLU 252 N 0.66 0.00 -0.30 2.45 4.11 -1.11 -1.04 114.58 119.34 2g50 h GLU 252 Ca 0.21 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.61 2g50 h GLU 252 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2g50 h GLU 252 CO -0.05 0.79 0.09 0.28 0.07 0.00 0.00 179.01 180.19 2g50 h VAL 253 N 0.00 1.20 -0.37 -1.06 2.07 -0.92 -2.34 116.25 114.84 2g50 h VAL 253 Ca -0.01 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 2g50 h VAL 253 Cb 1.43 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 2g50 h VAL 253 CO 0.10 0.22 0.10 -0.09 0.02 0.00 0.00 177.57 177.92 2g50 h ARG 254 N 0.32 0.53 -0.35 1.57 2.43 -1.00 -1.80 114.38 116.08 2g50 h ARG 254 Ca 0.10 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 2g50 h ARG 254 Cb 0.25 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2g50 h ARG 254 CO -0.00 0.48 -0.09 -0.22 -1.51 0.00 0.00 179.97 178.63 2g50 h LYS 255 N 0.52 0.69 -0.44 0.20 3.64 -1.11 -1.63 116.57 118.45 2g50 h LYS 255 Ca 0.12 -0.27 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 2g50 h LYS 255 Cb 0.19 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 2g50 h LYS 255 CO -0.01 0.85 0.16 0.82 -2.27 0.00 0.00 179.45 179.01 2g50 h ILE 256 N 0.48 1.21 -1.00 2.00 1.08 -1.14 -2.49 117.51 117.65 2g50 h ILE 256 Ca 0.09 -0.66 0.08 0.00 -0.39 0.00 0.00 64.86 63.98 2g50 h ILE 256 Cb 0.60 0.82 -0.07 0.00 -3.07 0.00 0.00 36.82 35.10 2g50 h ILE 256 CO 0.04 0.24 0.64 -0.07 -0.69 0.00 0.00 178.15 178.31 2g50 h LEU 257 N 0.57 1.01 0.00 1.44 4.07 -1.31 -3.46 115.31 117.62 2g50 h LEU 257 Ca 0.14 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.12 2g50 h LEU 257 Cb 0.22 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.76 2g50 h LEU 257 CO -0.01 0.62 0.00 0.61 -1.08 0.00 0.00 178.44 178.58 2g50 n GLY 258 N -1.36 -0.12 0.08 0.83 0.00 -0.62 -1.58 105.19 102.42 2g50 n GLY 258 Ca 0.16 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 2g50 n GLY 258 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2g50 h GLU 259 N 0.00 0.16 -0.34 1.61 4.57 -1.89 -2.36 114.58 116.34 2g50 h GLU 259 Ca 0.00 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 2g50 h GLU 259 Cb 0.00 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 2g50 h GLU 259 CO 0.00 0.21 0.18 -0.22 -1.18 0.00 0.00 179.01 178.00 2g50 h LYS 260 N 0.08 0.46 -0.56 1.92 3.64 -1.98 -2.40 116.57 117.73 2g50 h LYS 260 Ca 0.04 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.29 2g50 h LYS 260 Cb 0.10 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 31.76 2g50 h LYS 260 CO -0.01 0.34 0.10 0.41 -2.27 0.00 0.00 179.45 178.03 2g50 n GLY 261 N -1.37 3.60 0.28 5.01 0.00 -0.62 -4.67 105.19 107.42 2g50 n GLY 261 Ca 0.02 -1.00 0.15 0.00 0.00 0.00 0.00 46.02 45.19 2g50 n GLY 261 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2g50 h LYS 262 N 2.84 0.00 -0.02 1.61 2.10 -0.88 -2.23 116.57 119.99 2g50 h LYS 262 Ca 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 2g50 h LYS 262 Cb 2.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.33 2g50 h LYS 262 CO 0.53 0.08 -0.09 0.09 -2.00 0.00 0.00 179.45 178.06 2g50 n ASN 263 N -3.50 2.31 -4.68 7.07 5.03 -1.26 -4.88 115.26 115.34 2g50 n ASN 263 Ca -0.02 -1.72 -0.42 0.00 0.87 0.00 0.00 54.58 53.29 2g50 n ASN 263 Cb 0.21 0.08 -0.03 0.00 -1.02 0.00 0.00 39.78 39.03 2g50 n ASN 263 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2g50 s ILE 264 N -2.10 4.23 0.11 2.41 1.01 -0.84 -4.98 121.20 121.04 2g50 s ILE 264 Ca 0.29 1.55 -0.30 0.00 0.00 0.00 0.00 60.65 62.19 2g50 s ILE 264 Cb 0.20 -4.00 -0.06 0.00 0.01 0.00 0.00 42.46 38.61 2g50 s ILE 264 CO 0.36 -0.02 1.09 -0.54 0.00 0.00 0.00 174.94 175.83 2g50 s LYS 265 N 2.38 4.56 -0.31 2.79 -0.14 -0.98 -4.88 119.74 123.17 2g50 s LYS 265 Ca 0.56 1.65 -0.10 0.00 -1.36 0.00 0.00 55.97 56.72 2g50 s LYS 265 Cb -0.25 -3.33 -0.01 0.00 -1.68 0.00 0.00 37.83 32.56 2g50 s LYS 265 CO 0.21 -0.01 0.17 0.42 -0.76 0.00 0.00 175.35 175.39 2g50 s ILE 266 N 0.29 4.78 -0.29 2.17 1.01 -1.26 -0.62 121.20 127.28 2g50 s ILE 266 Ca 0.52 -0.33 -0.09 0.00 0.00 0.00 0.00 60.65 60.75 2g50 s ILE 266 Cb -0.27 -3.42 -0.01 0.00 0.01 0.00 0.00 42.46 38.76 2g50 s ILE 266 CO 0.32 0.07 0.12 -0.63 0.00 0.00 0.00 174.94 174.83 2g50 s ILE 267 N 1.65 4.47 -0.14 2.92 -1.09 0.52 -1.15 121.20 128.38 2g50 s ILE 267 Ca 0.05 -0.37 -0.24 0.00 -2.23 0.00 0.00 60.65 57.86 2g50 s ILE 267 Cb -0.17 -3.23 -0.03 0.00 -1.58 0.00 0.00 42.46 37.45 2g50 s ILE 267 CO 0.07 0.14 0.74 -0.44 -1.23 0.00 0.00 174.94 174.23 2g50 s SER 268 N 1.60 6.91 -0.19 3.58 0.01 -0.40 -0.78 113.70 124.42 2g50 s SER 268 Ca 0.05 1.10 -0.24 0.00 1.31 0.00 0.00 55.95 58.17 2g50 s SER 268 Cb -0.17 -2.42 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 2g50 s SER 268 CO 0.05 -0.27 0.78 -0.54 0.41 0.00 0.00 173.24 173.68 2g50 s LYS 269 N 1.59 4.25 -0.40 12.44 1.02 -0.23 -1.36 119.74 137.05 2g50 s LYS 269 Ca 0.36 0.90 -0.17 0.00 0.02 0.00 0.00 55.97 57.07 2g50 s LYS 269 Cb -0.17 -3.59 0.01 0.00 -0.52 0.00 0.00 37.83 33.56 2g50 s LYS 269 CO 0.14 -0.35 0.45 0.42 -0.92 0.00 0.00 175.35 175.09 2g50 s ILE 270 N 2.24 5.07 0.00 2.17 -1.09 -0.43 -2.40 121.20 126.76 2g50 s ILE 270 Ca 0.35 -0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.60 2g50 s ILE 270 Cb -0.16 -4.01 0.00 0.00 -1.58 0.00 0.00 42.46 36.71 2g50 s ILE 270 CO 0.11 -0.36 0.71 -1.84 -1.23 0.00 0.00 174.94 172.33 2g50 n GLU 271 N 5.64 0.00 -4.10 2.79 0.28 -1.26 -1.97 120.64 122.02 2g50 n GLU 271 Ca -0.07 -0.63 -0.12 0.00 -0.16 0.00 0.00 57.16 56.19 2g50 n GLU 271 Cb 0.48 -0.38 -0.07 0.00 1.43 0.00 0.00 31.44 32.90 2g50 n GLU 271 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2g50 s ASN 272 N -0.50 0.28 0.15 -1.84 2.20 -1.26 -2.96 114.94 111.01 2g50 s ASN 272 Ca 0.00 -1.24 -0.16 0.00 -0.94 0.00 0.00 52.86 50.53 2g50 s ASN 272 Cb 0.00 0.53 0.01 0.00 -2.00 0.00 0.00 41.25 39.80 2g50 s ASN 272 CO 0.00 -1.07 1.76 -0.74 -2.94 0.00 0.00 177.10 174.11 2g50 h HIS 273 N 2.34 0.57 -0.68 1.54 -0.00 -1.93 -2.66 115.15 114.33 2g50 h HIS 273 Ca -0.30 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.05 2g50 h HIS 273 Cb 1.25 -0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 28.44 2g50 h HIS 273 CO 0.67 0.42 0.35 1.49 -0.00 0.00 0.00 177.93 180.86 2g50 h GLU 274 N 0.55 0.95 -0.84 5.26 4.81 -1.95 -0.79 114.58 122.57 2g50 h GLU 274 Ca 0.15 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2g50 h GLU 274 Cb 0.03 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.19 2g50 h GLU 274 CO -0.03 0.72 0.47 0.78 -0.73 0.00 0.00 179.01 180.22 2g50 h GLY 275 N 1.02 1.25 0.67 1.92 0.00 -1.64 0.69 103.07 106.98 2g50 h GLY 275 Ca 0.24 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 2g50 h GLY 275 CO -0.04 0.53 -0.01 -2.08 0.00 0.00 0.00 176.54 174.95 2g50 h VAL 276 N 1.18 1.29 -0.89 4.60 2.07 -1.10 -1.76 116.25 121.63 2g50 h VAL 276 Ca 0.30 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.95 2g50 h VAL 276 Cb 0.01 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 2g50 h VAL 276 CO -0.05 0.24 0.59 0.03 0.02 0.00 0.00 177.57 178.39 2g50 h ARG 277 N -0.27 1.18 -0.67 1.57 3.08 -0.92 -2.57 114.38 115.78 2g50 h ARG 277 Ca 0.01 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 2g50 h ARG 277 Cb 0.38 -0.26 -0.06 0.00 0.08 0.00 0.00 29.97 30.11 2g50 h ARG 277 CO 0.00 0.78 0.13 0.54 -1.07 0.00 0.00 179.97 180.36 2g50 n ARG 278 N -4.40 4.38 -0.22 0.04 1.74 0.21 -4.71 116.66 113.72 2g50 n ARG 278 Ca 0.10 -3.13 0.01 0.00 -0.77 0.00 0.00 57.85 54.06 2g50 n ARG 278 Cb 0.02 -2.26 0.12 0.00 -1.02 0.00 0.00 32.46 29.33 2g50 n ARG 278 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2g50 h PHE 279 N 3.40 0.50 -0.78 -1.55 3.57 -0.88 -2.56 116.94 118.64 2g50 h PHE 279 Ca 0.13 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.68 2g50 h PHE 279 Cb 2.17 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 40.74 2g50 h PHE 279 CO 1.20 0.16 0.51 -0.44 -2.23 0.00 0.00 178.31 177.50 2g50 h ASP 280 N 0.49 0.86 0.65 0.41 3.32 -1.85 0.15 116.42 120.45 2g50 h ASP 280 Ca 0.33 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 57.24 2g50 h ASP 280 Cb 0.37 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2g50 h ASP 280 CO -0.29 0.61 -0.59 1.05 -1.72 0.00 0.00 179.24 178.30 2g50 h GLU 281 N 1.01 0.00 -0.12 3.56 4.11 -1.88 -2.17 114.58 119.10 2g50 h GLU 281 Ca 0.30 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.70 2g50 h GLU 281 Cb -0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 2g50 h GLU 281 CO -0.08 0.59 -0.03 0.82 0.07 0.00 0.00 179.01 180.37 2g50 h ILE 282 N 0.00 1.30 -0.64 -1.06 2.04 -0.91 -2.81 117.51 115.42 2g50 h ILE 282 Ca -0.01 -0.99 0.04 0.00 1.00 0.00 0.00 64.86 64.91 2g50 h ILE 282 Cb 1.07 1.71 -0.05 0.00 -0.74 0.00 0.00 36.82 38.81 2g50 h ILE 282 CO 0.08 0.28 0.37 0.25 0.00 0.00 0.00 178.15 179.13 2g50 h LEU 283 N -0.09 0.58 -1.13 1.44 5.85 -0.65 -1.76 115.31 119.54 2g50 h LEU 283 Ca 0.03 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.79 2g50 h LEU 283 Cb 0.46 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 2g50 h LEU 283 CO 0.01 0.39 0.59 -0.08 -0.34 0.00 0.00 178.44 179.01 2g50 h GLU 284 N 0.71 1.12 0.00 1.25 4.22 -1.36 -2.70 114.58 117.81 2g50 h GLU 284 Ca 0.28 -0.07 -0.03 0.00 0.08 0.00 0.00 59.36 59.62 2g50 h GLU 284 Cb 0.11 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.10 2g50 h GLU 284 CO -0.15 0.74 -0.31 0.00 -2.18 0.00 0.00 179.01 177.11 2g50 h ALA 285 N 1.47 0.84 -2.15 2.92 0.00 -1.17 -3.47 119.26 117.69 2g50 h ALA 285 Ca 0.34 -0.14 -0.46 0.00 0.00 0.00 0.00 54.91 54.65 2g50 h ALA 285 Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2g50 h ALA 285 CO -0.09 0.18 -0.30 -1.12 0.00 0.00 0.00 179.25 177.92 2g50 s SER 286 N -6.13 6.23 0.32 0.00 0.01 -0.71 -4.90 113.70 108.52 2g50 s SER 286 Ca 0.05 0.20 0.23 0.00 1.31 0.00 0.00 55.95 57.74 2g50 s SER 286 Cb 0.06 -1.83 0.21 0.00 0.21 0.00 0.00 66.02 64.68 2g50 s SER 286 CO 0.71 -0.25 1.37 0.44 0.41 0.00 0.00 173.24 175.92 2g50 h ASP 287 N 0.92 0.00 -1.78 2.44 3.45 -1.41 -3.48 116.42 116.56 2g50 h ASP 287 Ca -0.50 -0.01 0.27 0.00 0.43 0.00 0.00 57.03 57.23 2g50 h ASP 287 Cb 1.23 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 39.95 2g50 h ASP 287 CO 0.60 0.00 0.72 0.61 -1.57 0.00 0.00 179.24 179.60 2g50 n GLY 288 N 1.15 0.32 2.94 2.75 0.00 -1.11 -4.10 105.19 107.13 2g50 n GLY 288 Ca 0.02 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 2g50 n GLY 288 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2g50 s ILE 289 N -2.05 0.08 -0.11 -0.61 -1.09 -0.29 -1.28 121.20 115.85 2g50 s ILE 289 Ca 0.24 -0.53 0.02 0.00 -2.23 0.00 0.00 60.65 58.15 2g50 s ILE 289 Cb -0.01 -0.17 -0.01 0.00 -1.58 0.00 0.00 42.46 40.70 2g50 s ILE 289 CO -0.00 -0.28 -0.18 -0.32 -1.23 0.00 0.00 174.94 172.92 2g50 s MET 290 N -0.85 3.13 -0.74 2.79 -2.45 -0.46 -0.58 119.30 120.14 2g50 s MET 290 Ca -0.09 -0.78 -0.24 0.00 -1.25 0.00 0.00 55.69 53.33 2g50 s MET 290 Cb -0.06 -2.45 0.05 0.00 1.25 0.00 0.00 34.83 33.62 2g50 s MET 290 CO -0.01 0.25 1.15 0.08 1.05 0.00 0.00 175.02 177.54 2g50 s VAL 291 N 0.22 4.04 -1.20 10.11 1.01 0.24 -1.32 120.40 133.52 2g50 s VAL 291 Ca -0.12 -0.11 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 2g50 s VAL 291 Cb -0.16 -4.82 0.14 0.00 0.00 0.00 0.00 36.38 31.53 2g50 s VAL 291 CO 0.06 -1.68 1.48 0.00 0.00 0.00 0.00 175.10 174.96 2g50 s ALA 292 N 4.82 3.74 0.12 5.51 0.00 -0.83 -2.40 121.76 132.72 2g50 s ALA 292 Ca 0.30 -3.16 0.30 0.00 0.00 0.00 0.00 51.96 49.40 2g50 s ALA 292 Cb -0.11 -4.25 1.22 0.00 0.00 0.00 0.00 23.12 19.98 2g50 s ALA 292 CO 0.10 -2.94 1.93 0.00 0.00 0.00 0.00 175.76 174.85 2g50 h ARG 293 N 7.50 0.00 0.17 0.00 3.08 -1.82 -2.36 114.38 120.95 2g50 h ARG 293 Ca 0.33 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.37 2g50 h ARG 293 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.94 2g50 h ARG 293 CO 1.29 0.08 -0.08 0.78 -1.07 0.00 0.00 179.97 180.96 2g50 h GLY 294 N 2.01 -0.24 1.25 0.04 0.00 -1.87 -1.30 103.07 102.96 2g50 h GLY 294 Ca -0.00 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 2g50 h GLY 294 CO 0.01 -0.09 0.40 -0.55 0.00 0.00 0.00 176.54 176.31 2g50 h ASP 295 N -0.23 0.88 -0.79 0.19 3.32 -1.85 -2.93 116.42 115.00 2g50 h ASP 295 Ca -0.02 -0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.01 2g50 h ASP 295 Cb 0.18 -0.22 -0.06 0.00 0.22 0.00 0.00 39.33 39.45 2g50 h ASP 295 CO 0.04 0.70 0.48 0.25 -1.72 0.00 0.00 179.24 179.00 2g50 h LEU 296 N 1.00 0.76 0.00 1.55 5.85 -1.31 -0.32 115.31 122.84 2g50 h LEU 296 Ca 0.25 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.99 2g50 h LEU 296 Cb 0.02 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.90 2g50 h LEU 296 CO -0.04 0.50 0.00 0.61 -0.34 0.00 0.00 178.44 179.17 2g50 n GLY 297 N -1.31 -1.03 0.13 3.75 0.00 -0.49 -0.90 105.19 105.33 2g50 n GLY 297 Ca 0.11 -0.13 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 2g50 n GLY 297 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2g50 n ILE 298 N -1.22 1.50 -0.08 -0.61 5.41 -0.67 -3.72 119.36 119.98 2g50 n ILE 298 Ca 0.14 -0.59 -0.09 0.00 1.00 0.00 0.00 62.75 63.21 2g50 n ILE 298 Cb 0.17 -1.40 0.07 0.00 -0.71 0.00 0.00 39.64 37.77 2g50 n ILE 298 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2g50 h GLU 299 N 0.00 0.76 -6.22 0.38 4.39 -0.82 -3.45 114.58 109.63 2g50 h GLU 299 Ca -0.57 -0.34 -0.60 0.00 0.34 0.00 0.00 59.36 58.18 2g50 h GLU 299 Cb 1.92 -0.02 -0.14 0.00 -0.10 0.00 0.00 28.75 30.42 2g50 h GLU 299 CO -0.08 0.96 -0.75 0.96 -1.16 0.00 0.00 179.01 178.95 2g50 s ILE 300 N -4.49 2.61 0.17 3.13 -4.36 -0.08 -4.65 121.20 113.53 2g50 s ILE 300 Ca -0.09 -2.33 -0.33 0.00 -0.26 0.00 0.00 60.65 57.63 2g50 s ILE 300 Cb 0.13 -2.37 -0.14 0.00 1.25 0.00 0.00 42.46 41.32 2g50 s ILE 300 CO 0.84 -0.39 1.43 -2.65 0.24 0.00 0.00 174.94 174.41 2g50 n PRO 301 N -0.63 1.81 0.00 0.37 -0.02 -1.26 -4.44 135.00 130.83 2g50 n PRO 301 Ca -0.05 0.65 0.11 0.00 -2.02 0.00 0.00 63.50 62.18 2g50 n PRO 301 Cb 0.60 -2.32 0.53 0.00 -0.02 0.00 0.00 33.50 32.29 2g50 n PRO 301 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2g50 h ALA 302 N 4.81 2.01 0.00 3.55 0.00 -1.91 -0.02 119.26 127.71 2g50 h ALA 302 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2g50 h ALA 302 Cb 1.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2g50 h ALA 302 CO 0.80 -0.10 0.00 -0.85 0.00 0.00 0.00 179.25 179.10 2g50 n GLU 303 N -4.47 0.06 0.00 0.00 0.00 -1.26 -2.33 120.64 112.64 2g50 n GLU 303 Ca 0.06 0.24 0.10 0.00 0.00 0.00 0.00 57.16 57.57 2g50 n GLU 303 Cb 0.29 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.17 2g50 n GLU 303 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2g50 n LYS 304 N -1.44 0.73 -0.35 3.44 5.02 -0.02 -4.61 118.16 120.93 2g50 n LYS 304 Ca 0.04 -0.53 0.00 0.00 -2.02 0.00 0.00 58.31 55.81 2g50 n LYS 304 Cb 0.14 -1.47 0.14 0.00 -0.02 0.00 0.00 35.03 33.82 2g50 n LYS 304 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2g50 h VAL 305 N 1.28 1.14 -0.15 -0.18 2.07 -1.54 -1.48 116.25 117.39 2g50 h VAL 305 Ca 0.00 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 67.13 2g50 h VAL 305 Cb 0.63 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2g50 h VAL 305 CO 0.00 0.22 0.10 2.19 0.02 0.00 0.00 177.57 180.10 2g50 h PHE 306 N 1.19 0.12 -0.12 1.57 -0.00 -1.81 0.10 116.94 117.99 2g50 h PHE 306 Ca 0.39 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 58.35 2g50 h PHE 306 Cb 0.04 -0.04 -0.00 0.00 -0.00 0.00 0.00 35.95 35.95 2g50 h PHE 306 CO -0.01 0.07 0.01 -0.07 -0.00 0.00 0.00 178.31 178.32 2g50 h LEU 307 N 0.13 0.19 -0.66 2.10 3.38 -1.59 -1.03 115.31 117.83 2g50 h LEU 307 Ca 0.06 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 2g50 h LEU 307 Cb 0.09 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 2g50 h LEU 307 CO -0.01 0.42 0.22 0.00 0.09 0.00 0.00 178.44 179.15 2g50 h ALA 308 N 0.78 0.86 -0.21 1.53 0.00 -1.25 -1.09 119.26 119.89 2g50 h ALA 308 Ca 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2g50 h ALA 308 Cb 0.31 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2g50 h ALA 308 CO 0.00 0.53 0.12 0.37 0.00 0.00 0.00 179.25 180.27 2g50 h GLN 309 N 0.96 0.29 -0.37 0.00 4.15 -0.72 -0.46 115.11 118.95 2g50 h GLN 309 Ca 0.21 -0.03 -0.15 0.00 0.77 0.00 0.00 58.65 59.45 2g50 h GLN 309 Cb 0.28 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 2g50 h GLN 309 CO -0.01 0.26 -0.36 0.87 -1.93 0.00 0.00 178.83 177.66 2g50 h LYS 310 N 0.23 0.87 -0.23 1.69 1.57 -1.07 -1.06 116.57 118.58 2g50 h LYS 310 Ca 0.07 -0.44 -0.00 0.00 -1.87 0.00 0.00 60.65 58.41 2g50 h LYS 310 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 2g50 h LYS 310 CO -0.01 1.08 0.12 1.98 -0.57 0.00 0.00 179.45 182.05 2g50 h MET 311 N 0.72 0.32 -0.28 3.15 4.05 -1.09 -0.79 114.93 121.00 2g50 h MET 311 Ca 0.07 -0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 59.38 2g50 h MET 311 Cb 0.93 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.66 2g50 h MET 311 CO 0.09 0.29 -0.10 0.82 0.23 0.00 0.00 176.91 178.24 2g50 h ILE 312 N 0.26 1.29 -0.44 1.77 2.04 -0.96 -0.74 117.51 120.73 2g50 h ILE 312 Ca 0.08 -1.16 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 2g50 h ILE 312 Cb 0.07 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 2g50 h ILE 312 CO -0.01 0.37 0.23 0.40 0.00 0.00 0.00 178.15 179.13 2g50 h ILE 313 N 0.32 1.17 -0.25 -0.67 2.04 -1.17 -0.24 117.51 118.70 2g50 h ILE 313 Ca 0.07 -0.44 0.04 0.00 1.00 0.00 0.00 64.86 65.53 2g50 h ILE 313 Cb 0.60 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 2g50 h ILE 313 CO 0.03 0.18 0.01 1.23 0.00 0.00 0.00 178.15 179.60 2g50 h GLY 314 N 0.57 0.25 1.40 5.37 0.00 -0.95 0.72 103.07 110.42 2g50 h GLY 314 Ca 0.15 0.02 -0.12 0.00 0.00 0.00 0.00 47.33 47.39 2g50 h GLY 314 CO -0.02 -0.04 -0.27 3.21 0.00 0.00 0.00 176.54 179.42 2g50 h ARG 315 N 0.09 0.69 -0.53 4.80 3.08 -0.85 -1.37 114.38 120.29 2g50 h ARG 315 Ca 0.12 -0.29 -0.06 0.00 0.07 0.00 0.00 59.98 59.82 2g50 h ARG 315 Cb 0.15 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 2g50 h ARG 315 CO -0.19 0.88 0.08 0.00 -1.07 0.00 0.00 179.97 179.67 2g50 h ASN 317 N 0.75 0.73 -0.99 0.00 -0.26 -0.51 -0.11 115.58 115.20 2g50 h ASN 317 Ca 0.16 0.00 0.02 0.00 -0.56 0.00 0.00 56.30 55.92 2g50 h ASN 317 Cb 0.41 -0.16 -0.05 0.00 -1.06 0.00 0.00 38.32 37.46 2g50 h ASN 317 CO 0.01 0.50 0.66 0.03 -1.06 0.00 0.00 177.43 177.57 2g50 h ARG 318 N 0.87 1.27 0.00 0.81 3.08 -1.06 -2.25 114.38 117.09 2g50 h ARG 318 Ca 0.29 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.26 2g50 h ARG 318 Cb 0.03 -0.29 0.00 0.00 0.08 0.00 0.00 29.97 29.79 2g50 h ARG 318 CO -0.11 0.84 -0.22 0.00 -1.07 0.00 0.00 179.97 179.40 2g50 n ALA 319 N -2.37 2.55 -2.20 0.04 0.00 -0.87 -4.80 120.51 112.86 2g50 n ALA 319 Ca 0.13 -0.12 -0.11 0.00 0.00 0.00 0.00 53.44 53.34 2g50 n ALA 319 Cb 0.05 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.14 2g50 n ALA 319 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2g50 n GLY 320 N 1.34 -0.06 3.59 0.00 0.00 -0.13 -5.04 105.19 104.89 2g50 n GLY 320 Ca 0.05 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 2g50 n GLY 320 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2g50 s LYS 321 N -4.52 3.12 0.34 1.61 1.02 -0.72 -4.91 119.74 115.68 2g50 s LYS 321 Ca 0.00 -0.50 -0.28 0.00 0.02 0.00 0.00 55.97 55.22 2g50 s LYS 321 Cb 0.00 -2.76 -0.12 0.00 -0.52 0.00 0.00 37.83 34.43 2g50 s LYS 321 CO 0.00 0.54 1.26 -2.30 -0.92 0.00 0.00 175.35 173.93 2g50 n PRO 322 N 2.62 2.04 -4.33 -1.68 -0.02 -1.26 -4.43 135.00 127.94 2g50 n PRO 322 Ca -0.18 0.72 -0.20 0.00 -2.02 0.00 0.00 63.50 61.82 2g50 n PRO 322 Cb 0.53 -2.29 -0.16 0.00 -0.02 0.00 0.00 33.50 31.57 2g50 n PRO 322 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2g50 s VAL 323 N -1.10 0.71 -0.12 -1.45 0.11 -1.26 -1.14 120.40 116.15 2g50 s VAL 323 Ca 0.56 -0.31 -0.01 0.00 -2.93 0.00 0.00 61.98 59.29 2g50 s VAL 323 Cb -0.58 -0.65 -0.03 0.00 -1.53 0.00 0.00 36.38 33.60 2g50 s VAL 323 CO 0.62 0.23 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.92 2g50 s ILE 324 N 0.32 3.63 -0.22 7.04 1.01 0.25 -0.95 121.20 132.29 2g50 s ILE 324 Ca -0.05 -0.47 -0.13 0.00 0.00 0.00 0.00 60.65 60.00 2g50 s ILE 324 Cb -0.09 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.79 2g50 s ILE 324 CO 0.01 0.53 0.27 0.00 0.00 0.00 0.00 174.94 175.74 2g50 s ALA 326 N 1.09 1.51 0.00 0.00 0.00 -1.01 -1.98 121.76 121.37 2g50 s ALA 326 Ca 0.13 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.92 2g50 s ALA 326 Cb -0.14 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.83 2g50 s ALA 326 CO 0.06 0.23 0.00 2.41 0.00 0.00 0.00 175.76 178.46 2g50 n THR 327 N 1.02 -0.89 -1.70 0.00 -1.04 -1.26 -3.36 114.28 107.05 2g50 n THR 327 Ca -0.19 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.64 2g50 n THR 327 Cb 0.55 -0.96 -0.06 0.00 -1.82 0.00 0.00 70.33 68.04 2g50 n THR 327 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2g50 n GLN 328 N 1.66 -1.27 -0.32 -2.82 6.02 -1.26 -4.81 117.38 114.58 2g50 n GLN 328 Ca 0.00 1.07 -0.04 0.00 -0.01 0.00 0.00 57.00 58.01 2g50 n GLN 328 Cb 0.00 -5.37 0.09 0.00 1.02 0.00 0.00 30.24 25.98 2g50 n GLN 328 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 2g50 h MET 329 N 0.00 1.23 -0.59 -1.09 2.86 -1.89 -3.19 114.93 112.27 2g50 h MET 329 Ca -0.38 -0.16 -0.40 0.00 -2.06 0.00 0.00 59.70 56.70 2g50 h MET 329 Cb 1.19 -0.23 -0.41 0.00 0.06 0.00 0.00 31.60 32.21 2g50 h MET 329 CO 0.52 0.92 -0.94 1.28 1.06 0.00 0.00 176.91 179.75 2g50 n LEU 330 N -4.32 3.41 -0.29 1.22 4.77 -1.26 -4.54 117.00 115.99 2g50 n LEU 330 Ca 0.09 -3.96 0.08 0.00 -0.03 0.00 0.00 56.01 52.19 2g50 n LEU 330 Cb 0.12 0.01 0.24 0.00 -2.33 0.00 0.00 43.42 41.45 2g50 n LEU 330 CO 0.39 1.62 1.07 -0.08 -1.33 0.00 0.00 177.39 179.06 2g50 h GLU 331 N 2.32 0.52 0.00 3.23 4.57 -1.95 0.00 114.58 123.27 2g50 h GLU 331 Ca 0.14 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.28 2g50 h GLU 331 Cb 1.42 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.89 2g50 h GLU 331 CO 0.49 0.35 -0.02 0.66 -1.18 0.00 0.00 179.01 179.31 2g50 h SER 332 N 0.54 0.00 0.15 1.04 4.64 -1.93 -1.76 113.55 116.23 2g50 h SER 332 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 2g50 h SER 332 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 2g50 h SER 332 CO -0.41 0.02 0.00 0.23 -0.87 0.00 0.00 176.83 175.80 2g50 n MET 333 N -3.24 0.41 -0.07 4.77 2.81 -0.01 -1.52 117.12 120.26 2g50 n MET 333 Ca -0.02 0.06 -0.01 0.00 -1.81 0.00 0.00 57.70 55.92 2g50 n MET 333 Cb 0.14 -1.50 0.26 0.00 -0.71 0.00 0.00 33.22 31.41 2g50 n MET 333 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 2g50 h ILE 334 N 0.00 1.20 0.00 2.02 2.04 -1.49 -3.34 117.51 117.95 2g50 h ILE 334 Ca 0.00 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.16 2g50 h ILE 334 Cb 0.08 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 2g50 h ILE 334 CO 0.00 0.26 -0.88 0.29 0.00 0.00 0.00 178.15 177.82 2g50 n LYS 335 N -4.31 2.04 -4.52 2.37 4.76 -0.91 -0.95 118.16 116.63 2g50 n LYS 335 Ca 0.03 -0.03 -0.26 0.00 -2.87 0.00 0.00 58.31 55.19 2g50 n LYS 335 Cb 0.20 -0.99 -0.14 0.00 -1.84 0.00 0.00 35.03 32.27 2g50 n LYS 335 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2g50 s LYS 336 N -2.05 1.33 0.00 1.97 1.02 -0.58 -4.96 119.74 116.47 2g50 s LYS 336 Ca -0.01 -1.05 0.28 0.00 0.02 0.00 0.00 55.97 55.21 2g50 s LYS 336 Cb 0.04 -1.52 1.36 0.00 -0.52 0.00 0.00 37.83 37.19 2g50 s LYS 336 CO 0.22 0.38 1.95 -0.35 -0.92 0.00 0.00 175.35 176.63 2g50 n PRO 337 N 1.53 0.30 -4.25 -1.68 -0.04 -1.26 -4.10 135.00 125.49 2g50 n PRO 337 Ca -0.18 0.02 -0.17 0.00 -0.04 0.00 0.00 63.50 63.13 2g50 n PRO 337 Cb 0.53 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.36 2g50 n PRO 337 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2g50 s ARG 338 N -2.68 0.72 0.79 0.54 0.52 -1.26 -4.92 118.95 112.66 2g50 s ARG 338 Ca 0.23 -0.60 -0.11 0.00 -0.52 0.00 0.00 55.73 54.73 2g50 s ARG 338 Cb 0.19 -0.66 0.07 0.00 0.52 0.00 0.00 34.95 35.07 2g50 s ARG 338 CO 0.45 0.16 1.14 -1.25 0.02 0.00 0.00 175.30 175.82 2g50 s PRO 339 N -0.96 2.03 0.79 3.54 0.04 -1.26 -4.63 135.00 134.55 2g50 s PRO 339 Ca -0.01 0.04 -0.12 0.00 0.04 0.00 0.00 61.00 60.96 2g50 s PRO 339 Cb -0.07 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.54 2g50 s PRO 339 CO 0.01 -1.51 1.14 0.95 0.04 0.00 0.00 177.00 177.63 2g50 s THR 340 N -3.50 2.52 0.33 1.26 -4.23 -1.26 -4.90 115.64 105.85 2g50 s THR 340 Ca 0.61 0.17 0.05 0.00 -1.18 0.00 0.00 61.69 61.35 2g50 s THR 340 Cb -0.11 -3.11 0.13 0.00 1.34 0.00 0.00 72.50 70.75 2g50 s THR 340 CO 0.48 -0.22 1.84 0.03 -0.54 0.00 0.00 174.62 176.21 2g50 h ARG 341 N -1.01 0.42 -0.66 3.99 2.47 -2.00 -1.86 114.38 115.73 2g50 h ARG 341 Ca -0.46 -0.11 -0.05 0.00 -1.26 0.00 0.00 59.98 58.09 2g50 h ARG 341 Cb 1.30 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 29.54 2g50 h ARG 341 CO 0.64 0.55 0.22 0.00 0.56 0.00 0.00 179.97 181.94 2g50 h ALA 342 N 1.48 1.14 -0.22 0.04 0.00 -1.99 -1.85 119.26 117.86 2g50 h ALA 342 Ca 0.07 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2g50 h ALA 342 Cb 0.46 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2g50 h ALA 342 CO 0.03 0.60 -0.22 0.93 0.00 0.00 0.00 179.25 180.59 2g50 h GLU 343 N 0.97 0.54 -0.45 0.00 5.08 -1.68 0.52 114.58 119.56 2g50 h GLU 343 Ca 0.22 -0.28 0.06 0.00 -1.00 0.00 0.00 59.36 58.35 2g50 h GLU 343 Cb 0.25 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 2g50 h GLU 343 CO -0.01 0.87 0.15 0.78 -1.00 0.00 0.00 179.01 179.80 2g50 h GLY 344 N 0.23 0.58 0.99 -3.84 0.00 -1.26 -1.76 103.07 98.01 2g50 h GLY 344 Ca 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 2g50 h GLY 344 CO 0.05 0.01 0.30 0.23 0.00 0.00 0.00 176.54 177.14 2g50 h SER 345 N 0.31 0.68 -0.22 0.19 0.87 -1.16 -2.28 113.55 111.94 2g50 h SER 345 Ca 0.21 -0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.70 2g50 h SER 345 Cb 0.22 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 2g50 h SER 345 CO -0.23 0.57 0.10 -0.78 -0.53 0.00 0.00 176.83 175.97 2g50 h ASP 346 N 0.73 0.14 -0.27 6.23 3.58 -0.39 0.73 116.42 127.18 2g50 h ASP 346 Ca 0.19 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 2g50 h ASP 346 Cb 0.04 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2g50 h ASP 346 CO -0.03 0.11 0.14 0.58 -2.88 0.00 0.00 179.24 177.16 2g50 h VAL 347 N 0.22 1.14 -0.46 2.25 2.07 -1.26 -0.91 116.25 119.30 2g50 h VAL 347 Ca 0.09 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.25 2g50 h VAL 347 Cb 0.04 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2g50 h VAL 347 CO -0.07 0.14 0.30 0.00 0.02 0.00 0.00 177.57 177.95 2g50 h ALA 348 N 1.00 0.59 -0.03 1.67 0.00 -1.11 -2.38 119.26 119.00 2g50 h ALA 348 Ca 0.09 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2g50 h ALA 348 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2g50 h ALA 348 CO -0.01 0.01 -0.46 -0.91 0.00 0.00 0.00 179.25 177.88 2g50 h ASN 349 N 0.60 0.06 -0.71 0.00 2.35 -0.69 -0.09 115.58 117.11 2g50 h ASN 349 Ca 0.17 -0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.84 2g50 h ASN 349 Cb -0.05 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 2g50 h ASN 349 CO -0.05 0.51 0.23 0.00 -1.65 0.00 0.00 177.43 176.48 2g50 h ALA 350 N 1.49 1.04 -0.31 -0.83 0.00 -0.87 0.18 119.26 119.96 2g50 h ALA 350 Ca 0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 2g50 h ALA 350 Cb 0.83 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2g50 h ALA 350 CO 0.06 0.65 -0.20 0.28 0.00 0.00 0.00 179.25 180.05 2g50 h VAL 351 N 1.07 1.30 -0.38 0.00 2.07 -0.97 -1.76 116.25 117.58 2g50 h VAL 351 Ca 0.24 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 2g50 h VAL 351 Cb 0.29 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 2g50 h VAL 351 CO -0.01 0.43 0.13 -0.07 0.02 0.00 0.00 177.57 178.07 2g50 h LEU 352 N 0.43 0.49 -1.28 2.57 3.38 -0.85 -2.14 115.31 117.92 2g50 h LEU 352 Ca 0.06 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2g50 h LEU 352 Cb 0.74 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2g50 h LEU 352 CO 0.05 0.47 -0.00 0.44 0.09 0.00 0.00 178.44 179.49 2g50 h ASP 353 N 0.54 0.45 0.00 -0.43 3.32 -0.45 -3.47 116.42 116.38 2g50 h ASP 353 Ca 0.13 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2g50 h ASP 353 Cb 0.15 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.58 2g50 h ASP 353 CO -0.01 0.52 0.00 0.61 -1.72 0.00 0.00 179.24 178.64 2g50 n GLY 354 N -0.92 1.63 3.72 2.75 0.00 -0.80 -4.64 105.19 106.93 2g50 n GLY 354 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2g50 n GLY 354 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2g50 n ALA 355 N 0.00 2.37 -0.12 4.61 0.00 -0.69 -4.90 120.51 121.78 2g50 n ALA 355 Ca 0.00 0.40 -0.13 0.00 0.00 0.00 0.00 53.44 53.71 2g50 n ALA 355 Cb 0.00 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 16.97 2g50 n ALA 355 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2g50 h ASP 356 N 5.62 0.83 -4.29 0.00 3.32 -1.35 -3.45 116.42 117.10 2g50 h ASP 356 Ca -0.45 -0.44 -0.36 0.00 0.02 0.00 0.00 57.03 55.80 2g50 h ASP 356 Cb 1.22 -0.23 -0.18 0.00 0.22 0.00 0.00 39.33 40.36 2g50 h ASP 356 CO 0.86 1.09 -0.75 0.00 -1.72 0.00 0.00 179.24 178.73 2g50 s ILE 358 N -2.18 2.24 0.11 0.00 -4.36 -0.24 -1.49 121.20 115.27 2g50 s ILE 358 Ca 0.05 -2.09 0.06 0.00 -0.26 0.00 0.00 60.65 58.41 2g50 s ILE 358 Cb -0.05 -2.10 -0.04 0.00 1.25 0.00 0.00 42.46 41.53 2g50 s ILE 358 CO 0.01 -0.24 -0.16 -0.32 0.24 0.00 0.00 174.94 174.48 2g50 s MET 359 N -2.91 1.01 -0.03 0.37 1.75 -0.84 -1.42 119.30 117.23 2g50 s MET 359 Ca 0.22 -1.16 0.05 0.00 -1.25 0.00 0.00 55.69 53.55 2g50 s MET 359 Cb -0.07 -1.01 -0.01 0.00 2.84 0.00 0.00 34.83 36.58 2g50 s MET 359 CO 0.10 0.21 -0.20 -0.51 -0.65 0.00 0.00 175.02 173.97 2g50 s LEU 360 N -2.17 2.00 0.00 4.11 1.43 0.09 -4.46 118.68 119.67 2g50 s LEU 360 Ca 0.06 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 2g50 s LEU 360 Cb -0.07 -1.08 0.00 0.00 0.03 0.00 0.00 46.19 45.06 2g50 s LEU 360 CO 0.03 0.21 0.00 -1.20 0.23 0.00 0.00 176.35 175.62 2g50 n SER 361 N 2.88 0.00 0.05 2.29 7.64 -1.26 -1.06 113.62 124.16 2g50 n SER 361 Ca -0.17 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.84 2g50 n SER 361 Cb 0.53 0.00 0.60 0.00 -1.01 0.00 0.00 64.21 64.33 2g50 n SER 361 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2g50 h GLY 362 N 0.00 0.22 0.39 0.23 0.00 -1.97 0.59 103.07 102.54 2g50 h GLY 362 Ca 0.00 -0.07 0.15 0.00 0.00 0.00 0.00 47.33 47.42 2g50 h GLY 362 CO 0.00 0.05 0.60 0.83 0.00 0.00 0.00 176.54 178.02 2g50 h GLU 363 N 0.16 0.74 0.00 4.80 3.07 -1.89 -0.20 114.58 121.26 2g50 h GLU 363 Ca 0.18 -0.04 -0.22 0.00 -0.50 0.00 0.00 59.36 58.77 2g50 h GLU 363 Cb 0.49 -0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 28.19 2g50 h GLU 363 CO -0.03 0.49 -1.95 0.25 -1.40 0.00 0.00 179.01 176.37 2g50 n THR 364 N -4.62 0.82 -0.08 1.13 -2.24 -0.86 -3.71 114.28 104.72 2g50 n THR 364 Ca 0.19 -0.57 -0.13 0.00 -2.27 0.00 0.00 64.05 61.27 2g50 n THR 364 Cb 0.49 -0.47 -0.05 0.00 -2.10 0.00 0.00 70.33 68.19 2g50 n THR 364 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2g50 h ALA 365 N 0.85 0.34 0.00 6.98 0.00 -0.44 -3.33 119.26 123.67 2g50 h ALA 365 Ca -0.32 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.22 2g50 h ALA 365 Cb 1.69 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2g50 h ALA 365 CO 0.02 0.30 -0.06 0.36 0.00 0.00 0.00 179.25 179.87 2g50 n LYS 366 N -4.38 2.35 -1.01 0.00 2.85 -0.73 -1.32 118.16 115.91 2g50 n LYS 366 Ca -0.05 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.93 2g50 n LYS 366 Cb 0.42 -0.24 0.21 0.00 -0.65 0.00 0.00 35.03 34.77 2g50 n LYS 366 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2g50 s GLY 367 N -0.29 1.55 0.00 2.58 0.00 -0.16 -4.71 107.32 106.29 2g50 s GLY 367 Ca 0.00 -0.44 0.26 0.00 0.00 0.00 0.00 44.72 44.54 2g50 s GLY 367 CO 0.00 0.26 1.52 1.22 0.00 0.00 0.00 173.10 176.10 2g50 n ASP 368 N -4.48 0.46 -2.77 1.64 8.00 -0.13 -4.40 116.55 114.87 2g50 n ASP 368 Ca 0.06 -0.19 -0.14 0.00 0.71 0.00 0.00 54.79 55.23 2g50 n ASP 368 Cb 0.57 0.11 0.01 0.00 -0.02 0.00 0.00 41.12 41.79 2g50 n ASP 368 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2g50 n TYR 369 N -1.42 1.38 -0.22 1.24 4.01 -1.26 -4.96 117.16 115.92 2g50 n TYR 369 Ca 0.06 -3.14 -0.06 0.00 -0.16 0.00 0.00 57.90 54.61 2g50 n TYR 369 Cb 0.33 -0.36 0.04 0.00 -0.31 0.00 0.00 39.34 39.05 2g50 n TYR 369 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2g50 h PRO 370 N 2.94 0.85 -0.54 -0.72 0.13 -1.77 -1.77 132.00 131.13 2g50 h PRO 370 Ca 0.01 -0.07 -0.11 0.00 -0.87 0.00 0.00 66.00 64.96 2g50 h PRO 370 Cb 1.06 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.99 2g50 h PRO 370 CO 0.56 0.59 -0.10 -0.07 -0.23 0.00 0.00 178.00 178.75 2g50 h LEU 371 N 0.86 1.01 -0.98 1.56 3.38 -1.93 -2.32 115.31 116.89 2g50 h LEU 371 Ca 0.23 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2g50 h LEU 371 Cb -0.05 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 2g50 h LEU 371 CO -0.05 1.11 0.27 -0.33 0.09 0.00 0.00 178.44 179.54 2g50 h GLU 372 N 0.90 1.00 -0.38 1.13 3.07 -1.88 -0.83 114.58 117.59 2g50 h GLU 372 Ca 0.14 -0.17 -0.04 0.00 -0.50 0.00 0.00 59.36 58.79 2g50 h GLU 372 Cb 0.66 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 28.39 2g50 h GLU 372 CO 0.05 0.82 0.07 0.00 -1.40 0.00 0.00 179.01 178.54 2g50 h ALA 373 N 1.31 0.50 -0.27 3.43 0.00 -1.05 0.01 119.26 123.19 2g50 h ALA 373 Ca 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2g50 h ALA 373 Cb 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2g50 h ALA 373 CO -0.02 0.20 0.14 0.28 0.00 0.00 0.00 179.25 179.85 2g50 h VAL 374 N 0.47 1.13 -0.65 0.00 2.07 -1.18 -1.85 116.25 116.25 2g50 h VAL 374 Ca 0.12 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 2g50 h VAL 374 Cb 0.35 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2g50 h VAL 374 CO 0.01 0.13 0.38 0.03 0.02 0.00 0.00 177.57 178.14 2g50 h ARG 375 N 0.31 0.88 -0.27 1.57 3.08 -0.99 -1.44 114.38 117.52 2g50 h ARG 375 Ca 0.09 -0.08 -0.17 0.00 0.07 0.00 0.00 59.98 59.89 2g50 h ARG 375 Cb 0.08 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.95 2g50 h ARG 375 CO -0.01 0.62 -0.50 1.98 -1.07 0.00 0.00 179.97 180.98 2g50 h MET 376 N 0.89 0.81 -0.78 0.04 4.05 -0.69 -1.28 114.93 117.97 2g50 h MET 376 Ca 0.23 -0.52 0.04 0.00 -0.28 0.00 0.00 59.70 59.17 2g50 h MET 376 Cb -0.02 0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 30.79 2g50 h MET 376 CO -0.04 1.15 0.49 1.96 0.23 0.00 0.00 176.91 180.69 2g50 h GLN 377 N 0.57 0.91 0.01 0.39 4.20 -0.93 -1.00 115.11 119.26 2g50 h GLN 377 Ca 0.01 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.68 2g50 h GLN 377 Cb 1.11 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.67 2g50 h GLN 377 CO 0.11 0.60 -0.08 1.25 -0.67 0.00 0.00 178.83 180.04 2g50 h HIS 378 N 0.93 -0.21 -0.14 2.96 2.76 -1.08 -0.76 115.15 119.61 2g50 h HIS 378 Ca 0.32 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.50 2g50 h HIS 378 Cb 0.06 0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 2g50 h HIS 378 CO -0.04 -0.13 0.09 -0.07 -1.30 0.00 0.00 177.93 176.48 2g50 h LEU 379 N -0.15 0.17 -0.32 0.26 3.38 -0.97 -2.39 115.31 115.29 2g50 h LEU 379 Ca 0.03 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2g50 h LEU 379 Cb 0.18 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2g50 h LEU 379 CO -0.08 0.16 0.04 0.40 0.09 0.00 0.00 178.44 179.05 2g50 h ILE 380 N 0.16 1.24 -0.52 1.22 2.04 -1.16 -2.85 117.51 117.64 2g50 h ILE 380 Ca 0.05 -0.86 0.08 0.00 1.00 0.00 0.00 64.86 65.14 2g50 h ILE 380 Cb 0.02 1.19 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 2g50 h ILE 380 CO -0.01 0.28 0.14 0.00 0.00 0.00 0.00 178.15 178.56 2g50 h ALA 381 N 0.87 0.61 -0.82 1.87 0.00 -1.04 -0.38 119.26 120.37 2g50 h ALA 381 Ca 0.09 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2g50 h ALA 381 Cb 0.38 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 2g50 h ALA 381 CO 0.01 -0.27 0.46 -0.09 0.00 0.00 0.00 179.25 179.36 2g50 h ARG 382 N 0.29 1.13 -0.38 0.00 2.43 -1.33 0.96 114.38 117.48 2g50 h ARG 382 Ca 0.26 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 2g50 h ARG 382 Cb 0.33 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2g50 h ARG 382 CO -0.31 0.82 0.05 0.93 -1.51 0.00 0.00 179.97 179.96 2g50 h GLU 383 N 1.13 0.63 -0.26 0.20 4.39 -1.14 -3.02 114.58 116.52 2g50 h GLU 383 Ca 0.29 -0.17 -0.11 0.00 0.34 0.00 0.00 59.36 59.71 2g50 h GLU 383 Cb 0.01 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2g50 h GLU 383 CO -0.05 0.69 -0.30 0.00 -1.16 0.00 0.00 179.01 178.19 2g50 h ALA 384 N 0.91 0.99 -0.73 3.43 0.00 -0.74 -2.87 119.26 120.25 2g50 h ALA 384 Ca 0.11 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.66 2g50 h ALA 384 Cb 0.37 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2g50 h ALA 384 CO 0.01 0.60 0.47 0.93 0.00 0.00 0.00 179.25 181.26 2g50 h GLU 385 N 0.46 0.93 -0.31 0.00 5.08 -0.77 -1.75 114.58 118.21 2g50 h GLU 385 Ca 0.06 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2g50 h GLU 385 Cb 0.76 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2g50 h GLU 385 CO 0.06 0.61 -0.04 0.00 -1.00 0.00 0.00 179.01 178.64 2g50 h ALA 386 N 1.28 1.36 -0.00 3.43 0.00 -1.39 -2.95 119.26 120.99 2g50 h ALA 386 Ca 0.28 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2g50 h ALA 386 Cb -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2g50 h ALA 386 CO -0.08 0.44 -0.03 0.00 0.00 0.00 0.00 179.25 179.59 2g50 n ALA 387 N -2.48 2.62 -1.43 0.00 0.00 -0.70 -4.56 120.51 113.96 2g50 n ALA 387 Ca 0.01 -0.21 -0.35 0.00 0.00 0.00 0.00 53.44 52.89 2g50 n ALA 387 Cb 0.26 -1.45 0.10 0.00 0.00 0.00 0.00 19.45 18.36 2g50 n ALA 387 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2g50 s MET 388 N -2.33 2.13 -1.11 0.00 -1.94 -0.96 -4.94 119.30 110.14 2g50 s MET 388 Ca 0.36 1.91 -0.07 0.00 -1.71 0.00 0.00 55.69 56.17 2g50 s MET 388 Cb 0.21 -1.81 0.28 0.00 2.01 0.00 0.00 34.83 35.52 2g50 s MET 388 CO 0.43 -1.88 1.27 0.34 -0.01 0.00 0.00 175.02 175.16 2g50 n PHE 389 N -2.57 4.22 -0.34 -0.03 -0.00 -1.26 -4.88 117.46 112.61 2g50 n PHE 389 Ca 0.15 -3.43 0.01 0.00 -0.00 0.00 0.00 57.45 54.18 2g50 n PHE 389 Cb 0.49 -1.58 0.15 0.00 -0.00 0.00 0.00 39.48 38.55 2g50 n PHE 389 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2g50 h HIS 390 N 6.23 1.10 -0.15 -5.13 3.86 -1.92 -1.14 115.15 118.01 2g50 h HIS 390 Ca 0.19 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.45 2g50 h HIS 390 Cb 0.78 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 2g50 h HIS 390 CO 0.86 0.58 0.04 -0.09 0.86 0.00 0.00 177.93 180.18 2g50 h ARG 391 N 1.09 0.11 -0.41 2.45 2.43 -1.90 0.22 114.38 118.37 2g50 h ARG 391 Ca 0.40 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.49 2g50 h ARG 391 Cb 0.13 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 2g50 h ARG 391 CO -0.16 0.07 0.00 0.87 -1.51 0.00 0.00 179.97 179.24 2g50 h LYS 392 N 0.11 0.73 -0.25 0.20 1.79 -1.82 -2.52 116.57 114.82 2g50 h LYS 392 Ca 0.06 -0.23 0.03 0.00 -2.18 0.00 0.00 60.65 58.33 2g50 h LYS 392 Cb 0.04 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.59 2g50 h LYS 392 CO -0.07 0.81 0.04 1.25 -1.08 0.00 0.00 179.45 180.40 2g50 h LEU 393 N 0.56 -0.00 -0.22 2.94 5.85 -0.88 -0.12 115.31 123.44 2g50 h LEU 393 Ca 0.12 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.88 2g50 h LEU 393 Cb 0.48 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2g50 h LEU 393 CO 0.02 0.03 0.14 0.15 -0.34 0.00 0.00 178.44 178.44 2g50 h PHE 394 N 0.13 0.26 -0.70 1.25 3.57 -0.93 0.54 116.94 121.06 2g50 h PHE 394 Ca 0.11 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.70 2g50 h PHE 394 Cb 0.12 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 38.71 2g50 h PHE 394 CO -0.16 0.16 0.36 0.93 -2.23 0.00 0.00 178.31 177.37 2g50 h GLU 395 N 0.28 0.61 -0.12 1.11 5.08 -1.05 0.39 114.58 120.89 2g50 h GLU 395 Ca 0.08 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.23 2g50 h GLU 395 Cb -0.02 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 2g50 h GLU 395 CO -0.03 0.40 -0.68 0.93 -1.00 0.00 0.00 179.01 178.64 2g50 h GLU 396 N 0.63 0.49 -0.33 2.33 5.08 -0.46 -1.56 114.58 120.76 2g50 h GLU 396 Ca 0.33 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 2g50 h GLU 396 Cb 0.31 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2g50 h GLU 396 CO -0.24 0.99 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.66 2g50 h LEU 397 N 0.35 0.60 -0.50 1.33 3.38 -0.55 -1.85 115.31 118.06 2g50 h LEU 397 Ca -0.02 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 57.69 2g50 h LEU 397 Cb 1.25 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.78 2g50 h LEU 397 CO 0.12 0.78 0.18 0.00 0.09 0.00 0.00 178.44 179.62 2g50 h ALA 398 N 0.83 0.61 -0.52 1.53 0.00 -0.83 -2.26 119.26 118.62 2g50 h ALA 398 Ca 0.09 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2g50 h ALA 398 Cb 0.49 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2g50 h ALA 398 CO 0.02 -0.21 0.18 0.00 0.00 0.00 0.00 179.25 179.24 2g50 h ARG 399 N 0.36 0.80 -0.54 0.00 3.08 -1.16 -2.40 114.38 114.52 2g50 h ARG 399 Ca 0.24 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 2g50 h ARG 399 Cb 0.25 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 2g50 h ARG 399 CO -0.24 0.73 0.30 0.00 -1.07 0.00 0.00 179.97 179.69 2g50 h ALA 400 N 1.04 1.51 -0.68 0.04 0.00 -0.97 -2.79 119.26 117.41 2g50 h ALA 400 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2g50 h ALA 400 Cb 0.25 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2g50 h ALA 400 CO -0.01 0.41 0.00 0.43 0.00 0.00 0.00 179.25 180.08 2g50 n SER 401 N -4.40 4.06 0.30 0.00 7.64 -0.88 -4.62 113.62 115.71 2g50 n SER 401 Ca 0.05 -2.11 0.19 0.00 1.01 0.00 0.00 58.87 58.01 2g50 n SER 401 Cb 0.09 -0.49 1.00 0.00 -1.01 0.00 0.00 64.21 63.80 2g50 n SER 401 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2g50 h SER 402 N 4.04 0.00 0.83 6.43 4.64 -1.14 -0.26 113.55 128.09 2g50 h SER 402 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2g50 h SER 402 Cb 1.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2g50 h SER 402 CO 0.05 0.00 -0.12 0.06 -0.87 0.00 0.00 176.83 175.95 2g50 h GLN 403 N 0.00 0.00 -6.26 4.77 -0.00 -1.84 -3.42 115.11 108.36 2g50 h GLN 403 Ca 0.02 0.00 -0.55 0.00 -0.00 0.00 0.00 58.65 58.12 2g50 h GLN 403 Cb 0.32 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.75 2g50 h GLN 403 CO -0.00 0.12 0.08 0.45 -0.00 0.00 0.00 178.83 179.48 2g50 s SER 404 N -5.97 7.15 -0.16 0.06 0.15 -0.11 -4.96 113.70 109.87 2g50 s SER 404 Ca -0.00 1.37 0.17 0.00 0.70 0.00 0.00 55.95 58.19 2g50 s SER 404 Cb 0.10 -2.43 0.38 0.00 -1.71 0.00 0.00 66.02 62.37 2g50 s SER 404 CO 0.59 0.11 1.25 0.35 1.20 0.00 0.00 173.24 176.73 2g50 n THR 405 N 2.45 2.07 -1.63 6.45 -2.24 -1.26 -5.04 114.28 115.07 2g50 n THR 405 Ca -0.05 -2.29 -0.48 0.00 -2.27 0.00 0.00 64.05 58.96 2g50 n THR 405 Cb 0.50 -0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.44 2g50 n THR 405 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2g50 n ASP 406 N -1.15 2.28 -0.20 3.42 2.03 -1.26 -4.87 116.55 116.81 2g50 n ASP 406 Ca 0.19 1.12 -0.07 0.00 0.52 0.00 0.00 54.79 56.54 2g50 n ASP 406 Cb 0.74 -1.32 0.02 0.00 -0.72 0.00 0.00 41.12 39.84 2g50 n ASP 406 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2g50 h LEU 407 N 4.65 0.74 -0.72 -2.67 3.38 -1.99 -1.53 115.31 117.17 2g50 h LEU 407 Ca -0.45 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.32 2g50 h LEU 407 Cb 1.30 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 2g50 h LEU 407 CO 0.79 0.68 0.24 -0.03 0.09 0.00 0.00 178.44 180.21 2g50 h MET 408 N 0.76 1.11 -0.87 1.13 4.05 -1.93 -1.13 114.93 118.05 2g50 h MET 408 Ca 0.19 -0.23 0.07 0.00 -0.28 0.00 0.00 59.70 59.44 2g50 h MET 408 Cb 0.15 -0.16 -0.06 0.00 -0.80 0.00 0.00 31.60 30.72 2g50 h MET 408 CO -0.02 0.94 0.54 0.93 0.23 0.00 0.00 176.91 179.53 2g50 h GLU 409 N 1.06 0.94 -0.20 0.39 5.08 -1.89 0.20 114.58 120.16 2g50 h GLU 409 Ca 0.23 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2g50 h GLU 409 Cb 0.29 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2g50 h GLU 409 CO -0.01 0.62 0.12 0.00 -1.00 0.00 0.00 179.01 178.74 2g50 h ALA 410 N 1.41 0.25 -0.74 3.43 0.00 -0.75 0.11 119.26 122.99 2g50 h ALA 410 Ca 0.38 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.28 2g50 h ALA 410 Cb 0.19 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2g50 h ALA 410 CO -0.18 -0.23 0.47 0.52 0.00 0.00 0.00 179.25 179.82 2g50 h MET 411 N 0.24 0.88 -0.26 0.00 2.86 -0.69 -1.10 114.93 116.85 2g50 h MET 411 Ca 0.07 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 2g50 h MET 411 Cb 0.03 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.48 2g50 h MET 411 CO -0.01 0.58 0.09 0.00 1.06 0.00 0.00 176.91 178.63 2g50 h ALA 412 N 1.31 0.34 -0.49 6.32 0.00 -0.20 -0.72 119.26 125.82 2g50 h ALA 412 Ca 0.30 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2g50 h ALA 412 Cb 0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2g50 h ALA 412 CO -0.11 -0.05 0.07 0.52 0.00 0.00 0.00 179.25 179.68 2g50 h MET 413 N 0.26 0.83 -0.71 0.00 2.86 -0.65 -0.17 114.93 117.34 2g50 h MET 413 Ca 0.09 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 2g50 h MET 413 Cb 0.21 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 2g50 h MET 413 CO -0.00 0.83 0.41 0.78 1.06 0.00 0.00 176.91 179.98 2g50 h GLY 414 N 0.70 1.04 1.03 8.32 0.00 -1.10 -0.36 103.07 112.70 2g50 h GLY 414 Ca 0.15 -0.45 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 2g50 h GLY 414 CO 0.01 0.44 -0.19 1.76 0.00 0.00 0.00 176.54 178.56 2g50 h SER 415 N 0.97 0.87 -0.29 0.19 0.02 -0.84 0.21 113.55 114.67 2g50 h SER 415 Ca 0.25 -0.40 -0.05 0.00 -0.84 0.00 0.00 61.79 60.75 2g50 h SER 415 Cb 0.00 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 2g50 h SER 415 CO -0.04 1.08 -0.00 0.58 -1.14 0.00 0.00 176.83 177.30 2g50 h VAL 416 N 0.66 1.26 -0.38 2.27 2.07 -0.91 -0.21 116.25 121.00 2g50 h VAL 416 Ca 0.09 -0.95 0.05 0.00 0.82 0.00 0.00 66.70 66.71 2g50 h VAL 416 Cb 0.75 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 2g50 h VAL 416 CO 0.06 0.30 0.12 -0.08 0.02 0.00 0.00 177.57 177.99 2g50 h GLU 417 N 0.31 0.26 -0.96 1.57 4.57 -0.94 -0.75 114.58 118.64 2g50 h GLU 417 Ca 0.08 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.25 2g50 h GLU 417 Cb 0.44 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.92 2g50 h GLU 417 CO 0.02 0.17 0.62 0.00 -1.18 0.00 0.00 179.01 178.63 2g50 h ALA 418 N 1.26 1.29 -0.61 2.92 0.00 -0.78 -1.74 119.26 121.60 2g50 h ALA 418 Ca 0.18 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2g50 h ALA 418 Cb 0.18 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2g50 h ALA 418 CO -0.20 0.64 0.22 0.66 0.00 0.00 0.00 179.25 180.57 2g50 h SER 419 N 1.30 0.83 -0.31 0.00 4.64 -0.06 -2.21 113.55 117.74 2g50 h SER 419 Ca 0.35 -0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.50 2g50 h SER 419 Cb -0.13 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.74 2g50 h SER 419 CO -0.07 0.76 -0.00 1.88 -0.87 0.00 0.00 176.83 178.52 2g50 h TYR 420 N 0.88 0.61 -0.34 4.77 0.05 -0.72 -1.75 116.97 120.47 2g50 h TYR 420 Ca 0.20 -0.11 -0.02 0.00 0.05 0.00 0.00 58.73 58.86 2g50 h TYR 420 Cb 0.21 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.78 2g50 h TYR 420 CO 0.01 0.68 0.14 -0.22 -1.05 0.00 0.00 178.16 177.72 2g50 h LYS 421 N 0.35 0.51 -0.65 4.88 1.63 -0.81 -3.02 116.57 119.48 2g50 h LYS 421 Ca 0.09 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2g50 h LYS 421 Cb 0.44 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 2g50 h LYS 421 CO 0.02 0.51 0.00 0.00 -3.45 0.00 0.00 179.45 176.52 2g50 n LEU 423 N 1.57 -2.25 -4.71 0.00 4.77 -0.94 -4.89 117.00 110.56 2g50 n LEU 423 Ca 0.23 -1.01 -0.39 0.00 -0.03 0.00 0.00 56.01 54.81 2g50 n LEU 423 Cb 0.60 -2.23 0.04 0.00 -2.33 0.00 0.00 43.42 39.50 2g50 n LEU 423 CO 0.16 0.44 0.87 0.00 -1.33 0.00 0.00 177.39 177.53 2g50 n ALA 424 N -4.39 1.21 0.65 -1.18 0.00 -0.70 -4.87 120.51 111.22 2g50 n ALA 424 Ca -0.29 0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.42 2g50 n ALA 424 Cb 0.68 -2.28 0.34 0.00 0.00 0.00 0.00 19.45 18.18 2g50 n ALA 424 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2g50 n ALA 425 N -0.97 2.54 -3.56 0.00 0.00 0.48 -4.68 120.51 114.32 2g50 n ALA 425 Ca 0.10 -0.11 -0.06 0.00 0.00 0.00 0.00 53.44 53.37 2g50 n ALA 425 Cb 0.44 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.51 2g50 n ALA 425 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2g50 s ALA 426 N -3.11 -1.93 -0.16 0.00 0.00 -1.26 -4.20 121.76 111.09 2g50 s ALA 426 Ca 0.09 1.19 -0.00 0.00 0.00 0.00 0.00 51.96 53.24 2g50 s ALA 426 Cb 0.13 0.21 -0.00 0.00 0.00 0.00 0.00 23.12 23.46 2g50 s ALA 426 CO 0.64 -0.68 -0.13 -0.51 0.00 0.00 0.00 175.76 175.07 2g50 s LEU 427 N -2.40 2.56 -0.20 0.00 1.02 -0.23 -1.60 118.68 117.82 2g50 s LEU 427 Ca 0.08 -0.44 -0.09 0.00 0.02 0.00 0.00 54.13 53.69 2g50 s LEU 427 Cb -0.01 -1.59 -0.05 0.00 0.02 0.00 0.00 46.19 44.56 2g50 s LEU 427 CO -0.06 0.08 0.11 -0.63 0.02 0.00 0.00 176.35 175.87 2g50 s ILE 428 N 0.87 5.17 -0.10 -0.59 1.01 0.10 -0.24 121.20 127.42 2g50 s ILE 428 Ca -0.04 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.72 2g50 s ILE 428 Cb -0.15 -3.36 0.02 0.00 0.01 0.00 0.00 42.46 38.98 2g50 s ILE 428 CO -0.01 0.42 -0.08 -0.69 0.00 0.00 0.00 174.94 174.59 2g50 s VAL 429 N 0.55 0.99 -0.25 2.92 1.01 0.04 -0.15 120.40 125.51 2g50 s VAL 429 Ca 0.06 -0.30 -0.19 0.00 0.00 0.00 0.00 61.98 61.55 2g50 s VAL 429 Cb -0.12 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 2g50 s VAL 429 CO 0.00 0.35 0.56 -0.76 0.00 0.00 0.00 175.10 175.25 2g50 s LEU 430 N 1.46 4.06 -0.15 3.92 1.02 -0.80 -0.84 118.68 127.35 2g50 s LEU 430 Ca 0.00 0.60 -0.13 0.00 0.02 0.00 0.00 54.13 54.62 2g50 s LEU 430 Cb -0.13 -2.73 0.04 0.00 0.02 0.00 0.00 46.19 43.39 2g50 s LEU 430 CO -0.05 -0.31 0.39 0.28 0.02 0.00 0.00 176.35 176.68 2g50 s THR 431 N 2.34 -0.01 -0.25 5.49 -1.32 -0.78 -4.79 115.64 116.32 2g50 s THR 431 Ca 0.23 0.02 -0.04 0.00 -1.21 0.00 0.00 61.69 60.70 2g50 s THR 431 Cb -0.16 -0.56 -0.16 0.00 -1.51 0.00 0.00 72.50 70.11 2g50 s THR 431 CO 0.09 0.01 -0.20 -1.84 -2.21 0.00 0.00 174.62 170.47 2g50 n GLU 432 N 3.20 0.64 0.11 7.08 -0.00 -1.26 -4.12 120.64 126.29 2g50 n GLU 432 Ca -0.16 0.20 0.12 0.00 -0.00 0.00 0.00 57.16 57.33 2g50 n GLU 432 Cb 0.57 -1.54 0.07 0.00 -0.00 0.00 0.00 31.44 30.54 2g50 n GLU 432 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2g50 h SER 433 N -0.30 0.00 0.00 -1.84 4.64 -1.97 -3.42 113.55 110.65 2g50 h SER 433 Ca -0.59 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 2g50 h SER 433 Cb 1.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.90 2g50 h SER 433 CO -0.17 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.42 2g50 n GLY 434 N 1.21 2.65 0.23 -0.77 0.00 -1.26 -4.89 105.19 102.35 2g50 n GLY 434 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 2g50 n GLY 434 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2g50 h ARG 435 N 2.92 0.51 -0.70 1.61 3.08 -1.95 -0.19 114.38 119.66 2g50 h ARG 435 Ca 0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2g50 h ARG 435 Cb 0.00 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 2g50 h ARG 435 CO 0.00 0.34 0.41 0.77 -1.07 0.00 0.00 179.97 180.42 2g50 h SER 436 N 0.53 0.85 -0.31 7.04 0.02 -1.93 -1.95 113.55 117.80 2g50 h SER 436 Ca 0.28 -0.07 -0.11 0.00 -0.84 0.00 0.00 61.79 61.04 2g50 h SER 436 Cb 0.23 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 2g50 h SER 436 CO -0.21 0.68 -0.18 0.00 -1.14 0.00 0.00 176.83 175.97 2g50 h ALA 437 N 1.21 0.92 -0.96 3.77 0.00 -1.67 -2.70 119.26 119.84 2g50 h ALA 437 Ca 0.25 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2g50 h ALA 437 Cb -0.01 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 2g50 h ALA 437 CO -0.04 0.62 0.63 0.45 0.00 0.00 0.00 179.25 180.91 2g50 h HIS 438 N 0.68 1.20 -0.23 0.00 -0.00 -0.59 -0.56 115.15 115.66 2g50 h HIS 438 Ca 0.10 0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.37 2g50 h HIS 438 Cb 0.68 -0.41 -0.01 0.00 -0.00 0.00 0.00 27.41 27.67 2g50 h HIS 438 CO 0.04 0.75 -0.40 1.96 -0.00 0.00 0.00 177.93 180.27 2g50 h GLN 439 N 1.29 0.53 -0.28 2.45 1.08 -1.19 -1.52 115.11 117.45 2g50 h GLN 439 Ca 0.35 -0.26 -0.02 0.00 -1.45 0.00 0.00 58.65 57.27 2g50 h GLN 439 Cb -0.13 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 2g50 h GLN 439 CO -0.08 0.84 0.11 0.28 -0.95 0.00 0.00 178.83 179.03 2g50 h VAL 440 N 0.44 1.18 -0.90 -0.54 2.07 -1.13 -3.12 116.25 114.25 2g50 h VAL 440 Ca 0.04 -0.55 0.05 0.00 0.82 0.00 0.00 66.70 67.05 2g50 h VAL 440 Cb 0.89 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 2g50 h VAL 440 CO 0.08 0.19 0.57 0.00 0.02 0.00 0.00 177.57 178.43 2g50 h ALA 441 N 0.95 1.22 -0.07 1.67 0.00 -0.76 -2.20 119.26 120.08 2g50 h ALA 441 Ca 0.09 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2g50 h ALA 441 Cb 0.19 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2g50 h ALA 441 CO -0.01 0.38 0.06 -0.09 0.00 0.00 0.00 179.25 179.58 2g50 h ARG 442 N 1.08 0.00 -0.38 0.00 2.43 -1.22 -0.87 114.38 115.42 2g50 h ARG 442 Ca 0.38 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 2g50 h ARG 442 Cb 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2g50 h ARG 442 CO -0.15 0.00 0.00 0.66 -1.51 0.00 0.00 179.97 178.97 2g50 n TYR 443 N -4.20 0.50 -3.42 2.20 4.01 -0.83 -4.94 117.16 110.47 2g50 n TYR 443 Ca -0.01 -0.25 -0.20 0.00 -0.16 0.00 0.00 57.90 57.27 2g50 n TYR 443 Cb 0.16 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.24 2g50 n TYR 443 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2g50 n ARG 444 N 0.81 -1.68 -1.29 -0.72 5.12 -0.33 -4.77 116.66 113.80 2g50 n ARG 444 Ca 0.16 0.77 -0.32 0.00 -1.93 0.00 0.00 57.85 56.54 2g50 n ARG 444 Cb 0.41 -4.99 0.10 0.00 -1.16 0.00 0.00 32.46 26.82 2g50 n ARG 444 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2g50 s PRO 445 N -4.89 2.10 0.12 5.56 0.04 -1.26 -4.92 135.00 131.75 2g50 s PRO 445 Ca 0.39 1.40 0.08 0.00 0.04 0.00 0.00 61.00 62.91 2g50 s PRO 445 Cb -0.10 -1.86 -0.20 0.00 0.04 0.00 0.00 34.50 32.38 2g50 s PRO 445 CO 0.80 -1.79 1.25 0.07 0.04 0.00 0.00 177.00 177.36 2g50 h ARG 446 N -0.88 0.00 -7.06 4.56 0.11 -1.94 -3.46 114.38 105.71 2g50 h ARG 446 Ca -0.45 0.00 -0.47 0.00 0.10 0.00 0.00 59.98 59.16 2g50 h ARG 446 Cb 1.25 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.36 2g50 h ARG 446 CO 0.50 0.95 0.39 0.00 0.10 0.00 0.00 179.97 181.90 2g50 s ALA 447 N -2.71 2.90 0.59 0.08 0.00 -1.26 -5.01 121.76 116.34 2g50 s ALA 447 Ca 0.01 0.61 -0.19 0.00 0.00 0.00 0.00 51.96 52.39 2g50 s ALA 447 Cb 0.10 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.93 2g50 s ALA 447 CO 0.82 -0.29 1.23 -1.25 0.00 0.00 0.00 175.76 176.27 2g50 s PRO 448 N -3.15 2.95 -0.37 0.00 0.04 -1.26 -4.69 135.00 128.52 2g50 s PRO 448 Ca 0.66 1.89 -0.09 0.00 0.04 0.00 0.00 61.00 63.50 2g50 s PRO 448 Cb -0.17 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.46 2g50 s PRO 448 CO 0.20 -1.24 0.18 0.42 0.04 0.00 0.00 177.00 176.61 2g50 s ILE 449 N -1.54 4.23 -0.49 0.56 1.01 0.47 -1.07 121.20 124.37 2g50 s ILE 449 Ca 0.77 -1.05 -0.22 0.00 0.00 0.00 0.00 60.65 60.16 2g50 s ILE 449 Cb -0.32 -3.42 0.04 0.00 0.01 0.00 0.00 42.46 38.77 2g50 s ILE 449 CO 0.35 -0.26 0.74 -0.63 0.00 0.00 0.00 174.94 175.14 2g50 s ILE 450 N 1.48 4.69 -0.37 2.92 1.01 0.66 0.15 121.20 131.75 2g50 s ILE 450 Ca 0.01 0.01 -0.14 0.00 0.00 0.00 0.00 60.65 60.53 2g50 s ILE 450 Cb -0.20 -4.35 -0.00 0.00 0.01 0.00 0.00 42.46 37.92 2g50 s ILE 450 CO 0.05 -0.83 0.26 0.00 0.00 0.00 0.00 174.94 174.42 2g50 s ALA 451 N 3.15 3.49 -0.18 9.38 0.00 -0.91 -0.78 121.76 135.91 2g50 s ALA 451 Ca 0.23 -1.53 -0.15 0.00 0.00 0.00 0.00 51.96 50.51 2g50 s ALA 451 Cb -0.15 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 2g50 s ALA 451 CO 0.17 -1.19 0.37 0.08 0.00 0.00 0.00 175.76 175.20 2g50 s VAL 452 N 1.70 5.23 -0.00 0.00 1.01 -0.02 -0.37 120.40 127.95 2g50 s VAL 452 Ca 0.06 0.68 -0.05 0.00 0.00 0.00 0.00 61.98 62.66 2g50 s VAL 452 Cb -0.18 -3.71 -0.00 0.00 0.00 0.00 0.00 36.38 32.49 2g50 s VAL 452 CO 0.10 0.29 0.10 0.28 0.00 0.00 0.00 175.10 175.87 2g50 s THR 453 N 1.04 0.08 -2.08 3.92 -1.32 -0.35 -1.87 115.64 115.05 2g50 s THR 453 Ca 0.19 -0.62 0.25 0.00 -1.21 0.00 0.00 61.69 60.30 2g50 s THR 453 Cb -0.14 -0.35 0.21 0.00 -1.51 0.00 0.00 72.50 70.70 2g50 s THR 453 CO 0.07 -0.34 1.40 0.54 -2.21 0.00 0.00 174.62 174.08 2g50 n ARG 454 N 1.74 1.23 -3.21 7.08 1.74 -1.26 -0.22 116.66 123.76 2g50 n ARG 454 Ca -0.21 -0.88 -0.43 0.00 -0.77 0.00 0.00 57.85 55.56 2g50 n ARG 454 Cb 0.56 -1.48 -0.08 0.00 -1.02 0.00 0.00 32.46 30.44 2g50 n ARG 454 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2g50 s ASN 455 N -2.37 6.27 0.28 0.55 3.84 -1.26 -4.88 114.94 117.38 2g50 s ASN 455 Ca 0.25 -0.41 0.00 0.00 0.21 0.00 0.00 52.86 52.91 2g50 s ASN 455 Cb 0.19 -2.27 0.41 0.00 -0.55 0.00 0.00 41.25 39.03 2g50 s ASN 455 CO 0.49 -0.65 1.78 0.45 -2.79 0.00 0.00 177.10 176.37 2g50 h HIS 456 N 8.75 0.71 -0.34 0.43 3.86 -1.94 -1.81 115.15 124.81 2g50 h HIS 456 Ca -0.26 -0.10 -0.15 0.00 -1.16 0.00 0.00 60.37 58.70 2g50 h HIS 456 Cb 1.11 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 29.38 2g50 h HIS 456 CO 0.69 0.70 -0.37 0.37 0.86 0.00 0.00 177.93 180.18 2g50 h GLN 457 N 0.61 0.84 -0.67 2.45 4.15 -1.97 -1.76 115.11 118.77 2g50 h GLN 457 Ca 0.12 -0.46 0.10 0.00 0.77 0.00 0.00 58.65 59.18 2g50 h GLN 457 Cb 0.47 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.11 2g50 h GLN 457 CO 0.02 1.10 0.29 1.15 -1.93 0.00 0.00 178.83 179.46 2g50 h THR 458 N 0.63 0.79 -0.21 2.39 2.02 -1.77 -0.51 112.91 116.24 2g50 h THR 458 Ca 0.05 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.06 2g50 h THR 458 Cb 0.96 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 2g50 h THR 458 CO 0.09 0.09 0.14 0.00 0.37 0.00 0.00 175.52 176.21 2g50 h ALA 459 N 1.44 0.27 -0.51 6.16 0.00 -1.04 -1.26 119.26 124.32 2g50 h ALA 459 Ca 0.34 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 2g50 h ALA 459 Cb 0.40 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2g50 h ALA 459 CO -0.30 -0.24 0.12 0.00 0.00 0.00 0.00 179.25 178.83 2g50 h ARG 460 N 0.28 0.82 0.00 0.00 3.08 -0.92 -2.97 114.38 114.67 2g50 h ARG 460 Ca 0.08 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2g50 h ARG 460 Cb -0.02 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.93 2g50 h ARG 460 CO -0.02 0.79 0.00 1.96 -1.07 0.00 0.00 179.97 181.63 2g50 h GLN 461 N 0.71 0.00 0.00 0.04 4.20 -0.96 -3.04 115.11 116.07 2g50 h GLN 461 Ca 0.16 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 2g50 h GLN 461 Cb 0.33 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 2g50 h GLN 461 CO 0.00 0.00 -0.04 0.00 -0.67 0.00 0.00 178.83 178.12 2g50 h ALA 462 N 2.02 1.17 0.00 3.87 0.00 -1.05 -2.17 119.26 123.11 2g50 h ALA 462 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2g50 h ALA 462 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2g50 h ALA 462 CO 0.00 0.05 0.00 0.45 0.00 0.00 0.00 179.25 179.75 2g50 h HIS 463 N 0.00 0.00 0.00 0.00 3.86 -1.68 -2.00 115.15 115.33 2g50 h HIS 463 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2g50 h HIS 463 Cb 0.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.66 2g50 h HIS 463 CO 0.00 0.00 0.00 1.28 0.86 0.00 0.00 177.93 180.07 2g50 n LEU 464 N -2.71 0.45 -4.45 2.43 4.77 -0.82 -4.50 117.00 112.17 2g50 n LEU 464 Ca -0.02 0.61 -0.33 0.00 -0.03 0.00 0.00 56.01 56.24 2g50 n LEU 464 Cb 0.08 -0.56 -0.13 0.00 -2.33 0.00 0.00 43.42 40.48 2g50 n LEU 464 CO 0.16 -0.47 -0.42 -0.31 -1.33 0.00 0.00 177.39 175.03 2g50 s TYR 465 N -3.22 2.86 0.14 -1.77 2.02 -0.75 -4.53 117.35 112.10 2g50 s TYR 465 Ca 0.05 -0.38 -0.34 0.00 -0.37 0.00 0.00 57.07 56.03 2g50 s TYR 465 Cb 0.09 -1.82 -0.13 0.00 -0.40 0.00 0.00 41.96 39.70 2g50 s TYR 465 CO 0.34 -0.02 1.63 -2.13 -1.57 0.00 0.00 175.55 173.80 2g50 n ARG 466 N 3.13 2.23 -0.43 -0.62 3.00 -1.26 -2.75 116.66 119.97 2g50 n ARG 466 Ca -0.18 0.81 0.00 0.00 -0.00 0.00 0.00 57.85 58.48 2g50 n ARG 466 Cb 0.53 -2.60 0.00 0.00 0.00 0.00 0.00 32.46 30.39 2g50 n ARG 466 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2g50 n GLY 467 N 3.60 1.66 3.64 5.14 0.00 0.12 -4.72 105.19 114.63 2g50 n GLY 467 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2g50 n GLY 467 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2g50 s ILE 468 N -3.25 4.82 -0.64 -0.61 1.01 -1.11 -0.40 121.20 121.02 2g50 s ILE 468 Ca 0.00 1.48 -0.08 0.00 0.00 0.00 0.00 60.65 62.05 2g50 s ILE 468 Cb 0.00 -4.13 0.17 0.00 0.01 0.00 0.00 42.46 38.50 2g50 s ILE 468 CO 0.00 -0.13 0.51 0.12 0.00 0.00 0.00 174.94 175.44 2g50 s PHE 469 N 2.89 3.52 0.33 3.97 2.19 0.12 -4.68 117.98 126.32 2g50 s PHE 469 Ca 0.34 -2.27 -0.28 0.00 0.33 0.00 0.00 56.93 55.06 2g50 s PHE 469 Cb -0.15 -3.46 -0.09 0.00 -1.31 0.00 0.00 43.02 38.00 2g50 s PHE 469 CO 0.09 -0.93 1.14 -1.25 1.83 0.00 0.00 175.22 176.10 2g50 s PRO 470 N 0.41 4.42 -0.10 10.12 0.04 -1.26 -2.13 135.00 146.50 2g50 s PRO 470 Ca 0.14 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2g50 s PRO 470 Cb -0.19 -2.99 0.02 0.00 0.04 0.00 0.00 34.50 31.38 2g50 s PRO 470 CO -0.04 0.00 -0.09 0.08 0.04 0.00 0.00 177.00 176.99 2g50 s VAL 471 N -1.26 1.07 -0.17 -0.36 1.01 0.50 -4.68 120.40 116.51 2g50 s VAL 471 Ca 0.49 -0.35 -0.25 0.00 0.00 0.00 0.00 61.98 61.87 2g50 s VAL 471 Cb -0.32 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 2g50 s VAL 471 CO 0.41 0.37 0.83 -0.69 0.00 0.00 0.00 175.10 176.02 2g50 s VAL 472 N 1.42 4.88 -0.23 2.92 1.01 -1.26 -1.21 120.40 127.92 2g50 s VAL 472 Ca -0.00 1.63 -0.17 0.00 0.00 0.00 0.00 61.98 63.44 2g50 s VAL 472 Cb -0.13 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 2g50 s VAL 472 CO -0.05 0.02 0.45 0.00 0.00 0.00 0.00 175.10 175.52 2g50 n LYS 474 N 5.05 1.39 -2.05 0.00 5.02 -1.26 -4.39 118.16 121.91 2g50 n LYS 474 Ca -0.06 -1.12 -0.38 0.00 -2.02 0.00 0.00 58.31 54.72 2g50 n LYS 474 Cb 0.50 -1.26 0.01 0.00 -0.02 0.00 0.00 35.03 34.26 2g50 n LYS 474 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2g50 s ASP 475 N -1.45 5.94 0.62 4.39 1.01 -1.26 -4.99 116.67 120.94 2g50 s ASP 475 Ca 0.15 2.56 -0.18 0.00 0.71 0.00 0.00 52.55 55.79 2g50 s ASP 475 Cb 0.12 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 2g50 s ASP 475 CO 0.26 -1.09 1.00 -2.65 0.21 0.00 0.00 175.17 172.90 2g50 n PRO 476 N -0.45 0.87 -1.97 8.23 -0.02 -1.26 -4.94 135.00 135.46 2g50 n PRO 476 Ca 0.07 0.34 -0.42 0.00 -2.02 0.00 0.00 63.50 61.47 2g50 n PRO 476 Cb 0.46 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 2g50 n PRO 476 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2g50 s VAL 477 N -1.53 3.04 0.44 -1.45 1.01 -1.26 -5.00 120.40 115.65 2g50 s VAL 477 Ca 0.77 0.56 -0.21 0.00 0.00 0.00 0.00 61.98 63.11 2g50 s VAL 477 Cb -0.40 -3.36 -0.10 0.00 0.00 0.00 0.00 36.38 32.51 2g50 s VAL 477 CO 0.46 0.01 0.98 -1.10 0.00 0.00 0.00 175.10 175.44 2g50 s GLN 478 N 2.22 4.14 0.14 2.72 -1.52 -1.26 -4.99 119.66 121.10 2g50 s GLN 478 Ca 0.72 1.21 -0.18 0.00 -1.95 0.00 0.00 55.36 55.16 2g50 s GLN 478 Cb -0.40 -2.21 -0.02 0.00 -0.22 0.00 0.00 33.01 30.17 2g50 s GLN 478 CO 0.31 -0.12 1.78 0.93 -0.25 0.00 0.00 175.29 177.94 2g50 h GLU 479 N 1.91 0.44 -5.76 2.91 3.07 -1.98 -3.41 114.58 111.76 2g50 h GLU 479 Ca -0.49 -0.03 -0.58 0.00 -0.50 0.00 0.00 59.36 57.76 2g50 h GLU 479 Cb 1.19 -0.09 -0.08 0.00 -0.84 0.00 0.00 28.75 28.93 2g50 h GLU 479 CO 0.61 0.31 -0.10 0.00 -1.40 0.00 0.00 179.01 178.43 2g50 s ALA 480 N -6.08 3.46 0.22 3.43 0.00 -1.26 -4.97 121.76 116.56 2g50 s ALA 480 Ca -0.13 -0.16 -0.08 0.00 0.00 0.00 0.00 51.96 51.58 2g50 s ALA 480 Cb 0.10 -2.71 0.30 0.00 0.00 0.00 0.00 23.12 20.81 2g50 s ALA 480 CO 0.71 -0.06 1.78 2.35 0.00 0.00 0.00 175.76 180.54 2g50 h TRP 481 N 6.80 0.59 -0.77 0.00 2.91 -2.00 -1.22 115.95 122.25 2g50 h TRP 481 Ca -0.40 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 59.63 2g50 h TRP 481 Cb 1.18 -0.16 -0.04 0.00 -0.51 0.00 0.00 29.16 29.63 2g50 h TRP 481 CO 0.63 0.22 0.40 0.00 -1.03 0.00 0.00 178.44 178.66 2g50 h ALA 482 N 1.41 1.26 -0.25 2.65 0.00 -1.94 -0.19 119.26 122.19 2g50 h ALA 482 Ca 0.33 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 2g50 h ALA 482 Cb 0.34 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2g50 h ALA 482 CO -0.26 0.59 -0.46 0.93 0.00 0.00 0.00 179.25 180.05 2g50 h GLU 483 N 1.09 0.63 -0.44 0.00 5.08 -1.78 -1.34 114.58 117.82 2g50 h GLU 483 Ca 0.27 -0.35 -0.14 0.00 -1.00 0.00 0.00 59.36 58.14 2g50 h GLU 483 Cb 0.05 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2g50 h GLU 483 CO -0.04 0.96 -0.27 0.22 -1.00 0.00 0.00 179.01 178.88 2g50 h ASP 484 N 0.51 0.97 -0.18 1.42 3.58 -0.71 -0.81 116.42 121.20 2g50 h ASP 484 Ca 0.03 -0.39 -0.01 0.00 0.42 0.00 0.00 57.03 57.08 2g50 h ASP 484 Cb 0.99 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.77 2g50 h ASP 484 CO 0.09 1.18 0.08 0.58 -2.88 0.00 0.00 179.24 178.29 2g50 h VAL 485 N 0.80 1.14 -0.89 2.25 2.07 -1.02 -2.71 116.25 117.88 2g50 h VAL 485 Ca 0.09 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 2g50 h VAL 485 Cb 0.84 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 2g50 h VAL 485 CO 0.07 0.13 0.54 0.44 0.02 0.00 0.00 177.57 178.77 2g50 h ASP 486 N 0.16 1.07 -0.56 0.57 3.45 -1.07 -1.17 116.42 118.86 2g50 h ASP 486 Ca 0.06 -0.07 0.05 0.00 0.43 0.00 0.00 57.03 57.50 2g50 h ASP 486 Cb 0.13 -0.27 -0.05 0.00 -0.56 0.00 0.00 39.33 38.58 2g50 h ASP 486 CO -0.01 0.82 0.30 0.25 -1.57 0.00 0.00 179.24 179.03 2g50 h LEU 487 N 1.22 0.44 -0.27 1.55 6.46 -1.06 0.80 115.31 124.45 2g50 h LEU 487 Ca 0.32 0.03 -0.20 0.00 -0.12 0.00 0.00 57.88 57.91 2g50 h LEU 487 Cb -0.05 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 39.82 2g50 h LEU 487 CO -0.06 0.30 -0.63 0.03 -0.62 0.00 0.00 178.44 177.46 2g50 h ARG 488 N 0.57 0.82 -0.60 1.25 3.08 -1.11 -1.87 114.38 116.51 2g50 h ARG 488 Ca 0.25 -0.57 -0.02 0.00 0.07 0.00 0.00 59.98 59.71 2g50 h ARG 488 Cb 0.14 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 2g50 h ARG 488 CO -0.16 1.20 0.30 0.28 -1.07 0.00 0.00 179.97 180.52 2g50 h VAL 489 N 0.61 1.21 -0.69 2.04 2.07 -1.06 -2.05 116.25 118.37 2g50 h VAL 489 Ca -0.01 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 2g50 h VAL 489 Cb 1.24 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 2g50 h VAL 489 CO 0.13 0.23 0.38 0.78 0.02 0.00 0.00 177.57 179.12 2g50 h ASN 490 N 0.82 0.85 -0.34 0.57 2.35 -0.76 -0.51 115.58 118.56 2g50 h ASN 490 Ca 0.21 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2g50 h ASN 490 Cb 0.09 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.23 2g50 h ASN 490 CO -0.03 0.69 0.22 0.25 -1.65 0.00 0.00 177.43 176.91 2g50 h LEU 491 N 0.96 0.40 -0.60 1.61 5.85 -1.06 0.21 115.31 122.68 2g50 h LEU 491 Ca 0.25 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.96 2g50 h LEU 491 Cb 0.02 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2g50 h LEU 491 CO -0.04 0.30 0.38 0.00 -0.34 0.00 0.00 178.44 178.74 2g50 h ALA 492 N 1.11 0.77 -0.38 1.25 0.00 -0.82 -0.22 119.26 120.96 2g50 h ALA 492 Ca 0.12 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.04 2g50 h ALA 492 Cb -0.04 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 2g50 h ALA 492 CO -0.03 0.15 0.16 0.52 0.00 0.00 0.00 179.25 180.06 2g50 h MET 493 N 0.77 0.33 -0.62 0.00 2.86 -0.67 0.02 114.93 117.62 2g50 h MET 493 Ca 0.23 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.82 2g50 h MET 493 Cb -0.03 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 2g50 h MET 493 CO -0.08 0.22 0.27 -0.91 1.06 0.00 0.00 176.91 177.47 2g50 h ASN 494 N 0.34 0.83 -0.18 1.22 -0.26 -0.62 -1.49 115.58 115.42 2g50 h ASN 494 Ca 0.17 -0.15 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 2g50 h ASN 494 Cb 0.12 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.15 2g50 h ASN 494 CO -0.15 0.76 0.11 0.58 -1.06 0.00 0.00 177.43 177.67 2g50 h VAL 495 N 0.85 1.06 -0.75 2.81 2.07 -0.77 -1.39 116.25 120.13 2g50 h VAL 495 Ca 0.21 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 2g50 h VAL 495 Cb 0.17 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 2g50 h VAL 495 CO -0.02 0.05 0.47 1.23 0.02 0.00 0.00 177.57 179.32 2g50 h GLY 496 N 0.23 1.08 1.01 2.17 0.00 -0.81 -0.80 103.07 105.96 2g50 h GLY 496 Ca 0.06 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 46.87 2g50 h GLY 496 CO -0.01 0.43 -0.01 0.50 0.00 0.00 0.00 176.54 177.44 2g50 h LYS 497 N 1.03 0.87 -0.17 4.80 1.57 -1.16 0.56 116.57 124.06 2g50 h LYS 497 Ca 0.27 -0.28 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 2g50 h LYS 497 Cb -0.06 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 2g50 h LYS 497 CO -0.05 0.91 -0.37 0.00 -0.57 0.00 0.00 179.45 179.37 2g50 h ALA 498 N 0.92 1.05 -0.01 3.86 0.00 -0.93 -2.72 119.26 121.44 2g50 h ALA 498 Ca 0.14 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2g50 h ALA 498 Cb 0.53 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2g50 h ALA 498 CO 0.03 0.59 -0.11 0.54 0.00 0.00 0.00 179.25 180.29 2g50 n ARG 499 N -4.05 0.87 -1.53 0.00 5.12 -0.33 -4.93 116.66 111.80 2g50 n ARG 499 Ca -0.01 -0.36 -0.07 0.00 -1.93 0.00 0.00 57.85 55.47 2g50 n ARG 499 Cb 0.47 -1.49 -0.02 0.00 -1.16 0.00 0.00 32.46 30.26 2g50 n ARG 499 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2g50 n GLY 500 N 1.26 0.64 0.12 -0.13 0.00 -0.83 -4.90 105.19 101.35 2g50 n GLY 500 Ca 0.15 -0.67 -0.06 0.00 0.00 0.00 0.00 46.02 45.45 2g50 n GLY 500 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2g50 h PHE 501 N 0.00 0.16 -3.02 1.61 0.04 -1.17 -3.44 116.94 111.12 2g50 h PHE 501 Ca -0.16 -0.08 0.06 0.00 2.80 0.00 0.00 57.97 60.59 2g50 h PHE 501 Cb 0.70 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 38.78 2g50 h PHE 501 CO 0.20 0.85 0.22 -0.59 -0.60 0.00 0.00 178.31 178.39 2g50 s PHE 502 N -3.31 -0.15 0.21 -0.55 -0.12 -1.18 -4.89 117.98 107.99 2g50 s PHE 502 Ca -0.02 -0.33 -0.00 0.00 -0.05 0.00 0.00 56.93 56.53 2g50 s PHE 502 Cb 0.11 0.70 -0.04 0.00 -0.63 0.00 0.00 43.02 43.16 2g50 s PHE 502 CO 0.80 -1.26 0.10 -1.59 -0.05 0.00 0.00 175.22 173.23 2g50 s LYS 503 N -3.80 1.22 0.14 1.99 -2.85 -1.26 -4.05 119.74 111.14 2g50 s LYS 503 Ca 0.12 -1.64 -0.34 0.00 -1.00 0.00 0.00 55.97 53.11 2g50 s LYS 503 Cb -0.06 0.06 -0.16 0.00 -2.06 0.00 0.00 37.83 35.62 2g50 s LYS 503 CO 0.07 -0.32 1.26 1.17 0.10 0.00 0.00 175.35 177.63 2g50 n LYS 504 N -0.30 1.25 0.00 1.78 4.81 -1.26 -1.73 118.16 122.70 2g50 n LYS 504 Ca -0.00 0.45 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 2g50 n LYS 504 Cb 0.66 -2.02 0.00 0.00 0.02 0.00 0.00 35.03 33.69 2g50 n LYS 504 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2g50 n GLY 505 N 2.26 2.13 3.69 3.14 0.00 -0.29 -4.97 105.19 111.15 2g50 n GLY 505 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2g50 n GLY 505 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2g50 s ASP 506 N -1.63 2.81 0.08 1.61 1.01 -0.71 -4.76 116.67 115.08 2g50 s ASP 506 Ca 0.00 1.18 0.10 0.00 0.71 0.00 0.00 52.55 54.54 2g50 s ASP 506 Cb 0.00 -1.84 -0.03 0.00 1.01 0.00 0.00 42.92 42.05 2g50 s ASP 506 CO 0.00 -3.01 -0.26 0.68 0.21 0.00 0.00 175.17 172.78 2g50 s VAL 507 N -3.00 2.22 0.12 -1.27 -7.23 -1.26 -0.28 120.40 109.70 2g50 s VAL 507 Ca 0.65 -1.55 0.05 0.00 -1.81 0.00 0.00 61.98 59.32 2g50 s VAL 507 Cb -0.18 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 2g50 s VAL 507 CO 0.57 0.24 -0.12 0.68 -0.31 0.00 0.00 175.10 176.16 2g50 s VAL 508 N -0.93 1.18 -0.12 1.32 -7.23 0.04 -0.39 120.40 114.29 2g50 s VAL 508 Ca 0.13 -1.78 -0.13 0.00 -1.81 0.00 0.00 61.98 58.39 2g50 s VAL 508 Cb -0.10 -1.55 -0.05 0.00 0.56 0.00 0.00 36.38 35.24 2g50 s VAL 508 CO 0.04 -0.53 0.30 -0.63 -0.31 0.00 0.00 175.10 173.96 2g50 s ILE 509 N -2.50 5.27 -0.14 -0.62 -1.09 -0.63 -0.98 121.20 120.52 2g50 s ILE 509 Ca 0.10 0.56 0.01 0.00 -2.23 0.00 0.00 60.65 59.09 2g50 s ILE 509 Cb -0.03 -3.61 0.02 0.00 -1.58 0.00 0.00 42.46 37.26 2g50 s ILE 509 CO 0.02 0.47 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.34 2g50 s VAL 510 N -0.15 1.69 -0.21 2.92 1.01 0.49 0.02 120.40 126.17 2g50 s VAL 510 Ca 0.18 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 2g50 s VAL 510 Cb -0.14 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 2g50 s VAL 510 CO 0.06 0.48 -0.02 -0.76 0.00 0.00 0.00 175.10 174.86 2g50 s LEU 511 N 1.20 3.07 0.21 3.92 1.43 0.79 -1.07 118.68 128.23 2g50 s LEU 511 Ca -0.00 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 52.77 2g50 s LEU 511 Cb -0.14 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 2g50 s LEU 511 CO -0.07 0.02 0.18 0.42 0.23 0.00 0.00 176.35 177.13 2g50 s THR 512 N 1.26 0.00 0.00 5.49 -4.23 -0.27 -1.90 115.64 115.99 2g50 s THR 512 Ca 0.03 -1.93 -0.16 0.00 -1.18 0.00 0.00 61.69 58.45 2g50 s THR 512 Cb -0.14 -2.47 -0.06 0.00 1.34 0.00 0.00 72.50 71.17 2g50 s THR 512 CO -0.00 0.00 0.46 -0.83 -0.54 0.00 0.00 174.62 173.71 2g50 s GLY 513 N -3.15 2.52 0.20 3.99 0.00 -1.26 -1.53 107.32 108.09 2g50 s GLY 513 Ca 0.37 -0.14 -0.09 0.00 0.00 0.00 0.00 44.72 44.85 2g50 s GLY 513 CO 0.12 0.33 1.78 -0.25 0.00 0.00 0.00 173.10 175.08 2g50 h TRP 514 N 4.95 1.09 -3.42 1.90 2.91 -1.90 -3.45 115.95 118.04 2g50 h TRP 514 Ca -0.50 -0.07 -0.33 0.00 1.13 0.00 0.00 58.89 59.12 2g50 h TRP 514 Cb 1.21 -0.33 -0.15 0.00 -0.51 0.00 0.00 29.16 29.38 2g50 h TRP 514 CO 0.69 0.82 -0.69 1.03 -1.03 0.00 0.00 178.44 179.26 2g50 s ARG 515 N -5.64 1.14 0.47 2.65 0.52 -1.26 -5.00 118.95 111.83 2g50 s ARG 515 Ca -0.13 -1.52 0.16 0.00 -0.52 0.00 0.00 55.73 53.72 2g50 s ARG 515 Cb 0.15 -0.57 1.15 0.00 0.52 0.00 0.00 34.95 36.20 2g50 s ARG 515 CO 0.82 0.00 2.05 -1.35 0.02 0.00 0.00 175.30 176.83 2g50 h PRO 516 N 2.69 0.22 -0.00 3.54 0.11 -1.97 -1.92 132.00 134.66 2g50 h PRO 516 Ca -0.37 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2g50 h PRO 516 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2g50 h PRO 516 CO 0.64 0.15 -0.05 0.41 -0.21 0.00 0.00 178.00 178.94 2g50 n GLY 517 N -1.54 -1.26 3.69 -0.55 0.00 -1.26 -4.86 105.19 99.41 2g50 n GLY 517 Ca 0.05 -0.17 -0.44 0.00 0.00 0.00 0.00 46.02 45.46 2g50 n GLY 517 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2g50 n SER 518 N -1.27 3.44 -0.36 1.61 7.64 -0.73 -4.88 113.62 119.07 2g50 n SER 518 Ca 0.12 1.08 0.14 0.00 1.01 0.00 0.00 58.87 61.23 2g50 n SER 518 Cb 0.27 -1.49 0.60 0.00 -1.01 0.00 0.00 64.21 62.58 2g50 n SER 518 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2g50 n GLY 519 N 3.46 -0.25 3.82 0.23 0.00 -1.26 -4.90 105.19 106.29 2g50 n GLY 519 Ca 0.16 -0.39 -0.06 0.00 0.00 0.00 0.00 46.02 45.73 2g50 n GLY 519 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2g50 s PHE 520 N -2.05 -0.05 -0.92 1.61 -0.71 -1.26 -5.02 117.98 109.58 2g50 s PHE 520 Ca 0.39 -0.42 -0.24 0.00 -1.04 0.00 0.00 56.93 55.61 2g50 s PHE 520 Cb 0.21 0.73 0.02 0.00 -1.21 0.00 0.00 43.02 42.77 2g50 s PHE 520 CO 0.36 -1.19 1.54 0.95 -1.34 0.00 0.00 175.22 175.54 2g50 s THR 521 N -3.06 3.75 -2.10 -4.49 -4.23 -1.26 -4.47 115.64 99.78 2g50 s THR 521 Ca 0.14 -0.39 0.17 0.00 -1.18 0.00 0.00 61.69 60.43 2g50 s THR 521 Cb -0.04 -4.76 0.43 0.00 1.34 0.00 0.00 72.50 69.47 2g50 s THR 521 CO 0.07 -1.67 1.40 -0.46 -0.54 0.00 0.00 174.62 173.42 2g50 n ASN 522 N 10.20 2.53 -3.90 3.99 0.23 -1.01 -4.74 115.26 122.57 2g50 n ASN 522 Ca 0.28 -1.95 -0.26 0.00 -0.53 0.00 0.00 54.58 52.12 2g50 n ASN 522 Cb 0.50 -0.28 -0.17 0.00 -2.08 0.00 0.00 39.78 37.75 2g50 n ASN 522 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2g50 s THR 523 N -1.44 0.96 -0.02 5.53 2.01 -0.58 -4.89 115.64 117.20 2g50 s THR 523 Ca 0.33 -0.25 0.04 0.00 0.31 0.00 0.00 61.69 62.12 2g50 s THR 523 Cb 0.18 -0.99 -0.03 0.00 0.01 0.00 0.00 72.50 71.67 2g50 s THR 523 CO 0.24 0.35 -0.14 -0.32 -0.69 0.00 0.00 174.62 174.06 2g50 s MET 524 N 1.68 2.42 0.04 4.92 1.75 -1.26 -1.12 119.30 127.73 2g50 s MET 524 Ca 0.04 -0.76 0.02 0.00 -1.25 0.00 0.00 55.69 53.74 2g50 s MET 524 Cb -0.13 -2.35 -0.02 0.00 2.84 0.00 0.00 34.83 35.17 2g50 s MET 524 CO -0.07 0.60 -0.07 1.03 -0.65 0.00 0.00 175.02 175.87 2g50 s ARG 525 N -0.96 0.47 -0.22 4.11 0.52 -0.23 -4.97 118.95 117.67 2g50 s ARG 525 Ca 0.13 -0.71 -0.12 0.00 -0.52 0.00 0.00 55.73 54.50 2g50 s ARG 525 Cb -0.11 -0.19 -0.05 0.00 0.52 0.00 0.00 34.95 35.12 2g50 s ARG 525 CO 0.02 0.03 0.23 0.54 0.02 0.00 0.00 175.30 176.14 2g50 s VAL 526 N -1.38 5.32 -0.04 3.52 0.11 -1.26 -0.38 120.40 126.28 2g50 s VAL 526 Ca -0.11 0.35 0.01 0.00 -2.93 0.00 0.00 61.98 59.30 2g50 s VAL 526 Cb -0.10 -3.57 0.02 0.00 -1.53 0.00 0.00 36.38 31.20 2g50 s VAL 526 CO 0.00 0.33 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.36 2g50 s VAL 527 N 1.00 0.60 0.37 2.04 1.01 -0.15 -4.99 120.40 120.29 2g50 s VAL 527 Ca 0.11 -0.19 -0.26 0.00 0.00 0.00 0.00 61.98 61.64 2g50 s VAL 527 Cb -0.13 -0.60 -0.09 0.00 0.00 0.00 0.00 36.38 35.56 2g50 s VAL 527 CO 0.05 0.23 1.19 -2.16 0.00 0.00 0.00 175.10 174.41 2g50 s PRO 528 N 0.73 4.18 -0.00 2.72 0.04 -1.26 -0.78 135.00 140.63 2g50 s PRO 528 Ca -0.10 1.93 -0.30 0.00 0.04 0.00 0.00 61.00 62.56 2g50 s PRO 528 Cb -0.13 -2.82 -0.05 0.00 0.04 0.00 0.00 34.50 31.54 2g50 s PRO 528 CO 0.01 -0.24 1.37 0.08 0.04 0.00 0.00 177.00 178.25 2g50 s VAL 529 N -1.32 3.79 -2.00 -0.36 1.01 0.62 -4.90 120.40 117.24 2g50 s VAL 529 Ca 0.54 1.17 0.22 0.00 0.00 0.00 0.00 61.98 63.91 2g50 s VAL 529 Cb -0.33 -3.75 0.62 0.00 0.00 0.00 0.00 36.38 32.92 2g50 s VAL 529 CO 0.42 0.00 1.68 -0.81 0.00 0.00 0.00 175.10 176.40