#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 5.16 0.26 -2.13 1.01 -1.26 -5.06 121.20 119.18 2g50 s ILE 12 Ca 0.00 0.12 -0.31 0.00 0.00 0.00 0.00 60.65 60.46 2g50 s ILE 12 Cb 0.00 -3.45 -0.12 0.00 0.01 0.00 0.00 42.46 38.90 2g50 s ILE 12 CO 0.00 0.27 1.65 0.00 0.00 0.00 0.00 174.94 176.86 2g50 n GLN 13 N 5.01 2.75 -1.19 2.79 6.02 -1.26 -4.88 117.38 126.62 2g50 n GLN 13 Ca -0.14 0.98 -0.29 0.00 -0.01 0.00 0.00 57.00 57.54 2g50 n GLN 13 Cb 0.52 -2.79 0.17 0.00 1.02 0.00 0.00 30.24 29.15 2g50 n GLN 13 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2g50 s THR 14 N 0.43 2.21 -1.74 5.09 -4.23 -1.26 -4.31 115.64 111.84 2g50 s THR 14 Ca 0.68 0.07 -0.00 0.00 -1.18 0.00 0.00 61.69 61.25 2g50 s THR 14 Cb -0.49 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 70.78 2g50 s THR 14 CO 0.42 -0.09 0.06 1.67 -0.54 0.00 0.00 174.62 176.15 2g50 n GLN 15 N -4.09 -2.03 -3.92 3.99 7.27 0.51 -1.65 117.38 117.44 2g50 n GLN 15 Ca 0.06 0.99 -0.31 0.00 0.07 0.00 0.00 57.00 57.80 2g50 n GLN 15 Cb 0.57 -5.67 -0.01 0.00 2.41 0.00 0.00 30.24 27.54 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 -3.11 -3.59 0.24 3.69 1.13 -1.26 -4.76 117.38 109.71 2g50 n GLN 16 Ca -0.23 0.43 0.12 0.00 -1.94 0.00 0.00 57.00 55.38 2g50 n GLN 16 Cb 0.68 -5.18 0.45 0.00 0.11 0.00 0.00 30.24 26.30 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 -1.42 0.00 -0.00 1.08 3.38 -1.52 -0.60 115.31 116.22 2g50 h LEU 17 Ca -0.54 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.43 2g50 h LEU 17 Cb 1.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 2g50 h LEU 17 CO 0.69 0.13 0.00 -0.74 0.09 0.00 0.00 178.44 178.60 2g50 h HIS 18 N 0.00 0.00 -0.13 1.13 2.76 -1.85 -2.85 115.15 114.22 2g50 h HIS 18 Ca -0.00 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2g50 h HIS 18 Cb 0.76 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.71 2g50 h HIS 18 CO 0.00 0.28 0.06 0.00 -1.30 0.00 0.00 177.93 176.97 2g50 h ALA 19 N 0.72 1.88 0.00 5.26 0.00 -1.68 -2.03 119.26 123.41 2g50 h ALA 19 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2g50 h ALA 19 Cb 0.28 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2g50 h ALA 19 CO 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 179.25 179.34 2g50 h ALA 20 N 1.90 1.95 -0.09 0.00 0.00 -0.88 -2.26 119.26 119.88 2g50 h ALA 20 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2g50 h ALA 20 Cb 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2g50 h ALA 20 CO -0.01 0.02 0.00 -1.33 0.00 0.00 0.00 179.25 177.93 2g50 n MET 21 N -4.48 1.59 -1.61 0.00 2.81 -0.76 -4.76 117.12 109.90 2g50 n MET 21 Ca -0.03 -0.88 -0.35 0.00 -1.81 0.00 0.00 57.70 54.64 2g50 n MET 21 Cb 0.10 -1.42 0.07 0.00 -0.71 0.00 0.00 33.22 31.26 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 -1.90 2.27 0.00 3.04 0.00 -0.85 -4.97 121.76 119.35 2g50 s ALA 22 Ca 0.35 0.90 0.02 0.00 0.00 0.00 0.00 51.96 53.23 2g50 s ALA 22 Cb 0.19 -3.46 -0.25 0.00 0.00 0.00 0.00 23.12 19.59 2g50 s ALA 22 CO 0.29 -1.64 0.85 -0.44 0.00 0.00 0.00 175.76 174.82 2g50 h ASP 23 N 0.06 0.24 -2.75 0.00 3.32 -1.92 -3.47 116.42 111.90 2g50 h ASP 23 Ca -0.48 -0.36 -0.55 0.00 0.02 0.00 0.00 57.03 55.66 2g50 h ASP 23 Cb 1.29 -0.08 -0.15 0.00 0.22 0.00 0.00 39.33 40.62 2g50 h ASP 23 CO 0.52 1.30 -0.76 0.42 -1.72 0.00 0.00 179.24 179.00 2g50 s THR 24 N -2.62 2.16 0.25 0.35 -4.23 -1.26 -5.04 115.64 105.25 2g50 s THR 24 Ca -0.07 -2.27 -0.05 0.00 -1.18 0.00 0.00 61.69 58.12 2g50 s THR 24 Cb 0.08 -2.16 0.18 0.00 1.34 0.00 0.00 72.50 71.94 2g50 s THR 24 CO 0.84 -0.44 1.83 0.15 -0.54 0.00 0.00 174.62 176.46 2g50 h PHE 25 N 2.53 1.08 -0.30 3.99 3.57 -1.99 -0.39 116.94 125.43 2g50 h PHE 25 Ca -0.40 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.06 2g50 h PHE 25 Cb 1.24 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.62 2g50 h PHE 25 CO 0.76 0.81 0.12 1.25 -2.23 0.00 0.00 178.31 179.02 2g50 h LEU 26 N 1.05 0.15 -0.87 0.59 5.85 -1.99 -1.03 115.31 119.07 2g50 h LEU 26 Ca 0.25 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.90 2g50 h LEU 26 Cb 0.17 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2g50 h LEU 26 CO -0.03 0.12 -0.17 -0.08 -0.34 0.00 0.00 178.44 177.95 2g50 h GLU 27 N 0.26 0.65 -0.22 1.25 4.57 -1.89 -1.07 114.58 118.15 2g50 h GLU 27 Ca 0.13 -0.23 0.04 0.00 -1.18 0.00 0.00 59.36 58.12 2g50 h GLU 27 Cb 0.08 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 2g50 h GLU 27 CO -0.12 0.79 -0.01 1.25 -1.18 0.00 0.00 179.01 179.75 2g50 h HIS 28 N 0.58 -0.02 -0.19 0.92 2.76 -0.63 -2.04 115.15 116.54 2g50 h HIS 28 Ca 0.09 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.33 2g50 h HIS 28 Cb 0.62 0.04 -0.05 0.00 1.55 0.00 0.00 27.41 29.58 2g50 h HIS 28 CO 0.03 -0.04 -0.12 0.87 -1.30 0.00 0.00 177.93 177.37 2g50 h LYS 29 N 0.06 -0.11 0.00 5.26 1.57 -0.86 -2.41 116.57 120.08 2g50 h LYS 29 Ca 0.10 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2g50 h LYS 29 Cb 0.13 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 2g50 h LYS 29 CO -0.18 -0.07 -0.00 0.00 -0.57 0.00 0.00 179.45 178.63 2g50 n ARG 31 N -3.09 1.17 -1.85 0.00 1.74 -0.80 -4.95 116.66 108.88 2g50 n ARG 31 Ca -0.02 -0.89 -0.42 0.00 -0.77 0.00 0.00 57.85 55.75 2g50 n ARG 31 Cb 0.12 -1.48 -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 -0.51 -1.52 0.00 0.00 177.63 175.60 2g50 s LEU 32 N -2.44 4.36 -0.14 0.55 1.43 -0.84 -4.40 118.68 117.20 2g50 s LEU 32 Ca 0.22 2.83 -0.01 0.00 -1.03 0.00 0.00 54.13 56.13 2g50 s LEU 32 Cb 0.19 -3.62 0.04 0.00 0.03 0.00 0.00 46.19 42.82 2g50 s LEU 32 CO 0.53 -0.85 -0.02 -0.62 0.23 0.00 0.00 176.35 175.62 2g50 s ASP 33 N 0.59 2.44 0.34 2.29 -1.08 -1.26 -4.99 116.67 114.99 2g50 s ASP 33 Ca 0.64 -0.51 0.25 0.00 -0.52 0.00 0.00 52.55 52.41 2g50 s ASP 33 Cb -0.46 -0.69 1.20 0.00 -1.46 0.00 0.00 42.92 41.51 2g50 s ASP 33 CO 0.43 -0.21 1.75 0.16 0.52 0.00 0.00 175.17 177.82 2g50 h ILE 34 N 6.38 0.00 -0.53 4.11 3.07 -2.02 -1.89 117.51 126.62 2g50 h ILE 34 Ca -0.21 -0.12 0.00 0.00 1.55 0.00 0.00 64.86 66.08 2g50 h ILE 34 Cb 1.12 0.77 0.00 0.00 -0.27 0.00 0.00 36.82 38.43 2g50 h ILE 34 CO 0.34 0.00 0.00 0.47 -1.05 0.00 0.00 178.15 177.91 2g50 n ASP 35 N -2.36 3.51 -4.50 2.16 8.00 -1.26 -4.82 116.55 117.28 2g50 n ASP 35 Ca -0.00 -1.98 -0.43 0.00 0.71 0.00 0.00 54.79 53.08 2g50 n ASP 35 Cb 0.13 -0.35 -0.07 0.00 -0.02 0.00 0.00 41.12 40.81 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 -1.25 6.29 0.21 -2.24 0.15 -0.71 -4.94 113.70 111.21 2g50 s SER 36 Ca 0.42 -0.51 -0.30 0.00 0.70 0.00 0.00 55.95 56.27 2g50 s SER 36 Cb 0.23 -2.31 -0.08 0.00 -1.71 0.00 0.00 66.02 62.15 2g50 s SER 36 CO 0.31 -0.82 1.18 0.00 1.20 0.00 0.00 173.24 175.11 2g50 s ALA 37 N 2.80 3.43 0.94 5.45 0.00 -1.26 -4.42 121.76 128.70 2g50 s ALA 37 Ca 0.20 0.95 -0.12 0.00 0.00 0.00 0.00 51.96 52.99 2g50 s ALA 37 Cb -0.15 -3.40 0.15 0.00 0.00 0.00 0.00 23.12 19.72 2g50 s ALA 37 CO 0.17 -0.34 1.13 -1.25 0.00 0.00 0.00 175.76 175.47 2g50 s PRO 38 N -0.58 0.90 0.83 0.00 0.04 -1.26 -0.36 135.00 134.57 2g50 s PRO 38 Ca 0.51 0.33 -0.12 0.00 0.04 0.00 0.00 61.00 61.76 2g50 s PRO 38 Cb -0.33 -1.81 0.09 0.00 0.04 0.00 0.00 34.50 32.50 2g50 s PRO 38 CO 0.38 -2.37 1.16 0.96 0.04 0.00 0.00 177.00 177.18 2g50 s ILE 39 N -3.20 2.07 0.09 0.56 -4.36 -1.26 -4.80 121.20 110.30 2g50 s ILE 39 Ca 0.64 0.02 -0.19 0.00 -0.26 0.00 0.00 60.65 60.86 2g50 s ILE 39 Cb -0.16 -2.95 -0.08 0.00 1.25 0.00 0.00 42.46 40.52 2g50 s ILE 39 CO 0.54 -0.03 1.58 0.74 0.24 0.00 0.00 174.94 178.01 2g50 h THR 40 N -1.16 1.22 -3.47 8.37 2.02 -1.95 -3.44 112.91 114.49 2g50 h THR 40 Ca -0.47 -0.71 -0.53 0.00 0.77 0.00 0.00 66.41 65.48 2g50 h THR 40 Cb 1.33 1.23 0.06 0.00 -1.74 0.00 0.00 68.15 69.03 2g50 h THR 40 CO 0.65 0.22 0.75 0.00 0.37 0.00 0.00 175.52 177.51 2g50 s ALA 41 N -5.26 3.61 -0.23 6.16 0.00 -1.26 -5.01 121.76 119.78 2g50 s ALA 41 Ca -0.14 1.34 -0.03 0.00 0.00 0.00 0.00 51.96 53.14 2g50 s ALA 41 Cb 0.07 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.65 2g50 s ALA 41 CO 0.73 -0.76 -0.07 0.50 0.00 0.00 0.00 175.76 176.16 2g50 s ARG 42 N -0.66 3.15 0.07 0.00 3.00 -1.26 -4.92 118.95 118.34 2g50 s ARG 42 Ca 0.58 -0.77 0.13 0.00 -1.00 0.00 0.00 55.73 54.68 2g50 s ARG 42 Cb -0.42 -2.95 -0.15 0.00 0.00 0.00 0.00 34.95 31.43 2g50 s ARG 42 CO 0.46 -0.27 0.96 -0.91 0.00 0.00 0.00 175.30 175.54 2g50 h ASN 43 N 8.06 0.00 -3.12 -2.12 -0.26 -1.93 -3.47 115.58 112.75 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 1.14 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 38.36 2g50 h ASN 43 CO 0.60 0.78 0.72 -0.89 -1.06 0.00 0.00 177.43 177.57 2g50 s THR 44 N -2.79 4.61 0.47 2.81 2.01 -1.26 -0.11 115.64 121.37 2g50 s THR 44 Ca -0.02 1.91 -0.24 0.00 0.31 0.00 0.00 61.69 63.65 2g50 s THR 44 Cb 0.09 -4.23 -0.07 0.00 0.01 0.00 0.00 72.50 68.29 2g50 s THR 44 CO 0.81 -0.08 1.37 -0.83 -0.69 0.00 0.00 174.62 175.19 2g50 s GLY 45 N 1.30 2.90 -0.19 4.40 0.00 -0.32 -4.83 107.32 110.59 2g50 s GLY 45 Ca 0.49 1.35 -0.01 0.00 0.00 0.00 0.00 44.72 46.54 2g50 s GLY 45 CO 0.14 1.92 -0.13 -0.42 0.00 0.00 0.00 173.10 174.61 2g50 s ILE 46 N -1.26 2.74 -0.18 0.90 1.01 -1.26 -0.86 121.20 122.28 2g50 s ILE 46 Ca 0.63 -0.72 -0.04 0.00 0.00 0.00 0.00 60.65 60.53 2g50 s ILE 46 Cb -0.41 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.85 2g50 s ILE 46 CO 0.51 0.49 -0.04 -0.63 0.00 0.00 0.00 174.94 175.27 2g50 s ILE 47 N 1.21 3.69 -0.10 2.92 1.01 -0.48 -0.70 121.20 128.75 2g50 s ILE 47 Ca 0.02 -0.41 0.04 0.00 0.00 0.00 0.00 60.65 60.30 2g50 s ILE 47 Cb -0.14 -2.64 -0.00 0.00 0.01 0.00 0.00 42.46 39.69 2g50 s ILE 47 CO -0.06 0.46 -0.23 0.00 0.00 0.00 0.00 174.94 175.12 2g50 s THR 49 N 0.27 4.83 -0.08 0.00 2.01 -0.42 -0.54 115.64 121.71 2g50 s THR 49 Ca -0.16 2.02 -0.12 0.00 0.31 0.00 0.00 61.69 63.73 2g50 s THR 49 Cb -0.17 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 67.99 2g50 s THR 49 CO 0.08 0.07 0.30 -0.63 -0.69 0.00 0.00 174.62 173.75 2g50 s ILE 50 N 1.61 5.25 0.00 1.82 -1.09 -0.66 -2.11 121.20 126.02 2g50 s ILE 50 Ca 0.49 0.57 0.00 0.00 -2.23 0.00 0.00 60.65 59.48 2g50 s ILE 50 Cb -0.19 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 37.09 2g50 s ILE 50 CO 0.21 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 175.06 2g50 n GLY 51 N 2.36 3.19 0.34 6.18 0.00 -1.23 -4.72 105.19 111.31 2g50 n GLY 51 Ca -0.15 -0.67 0.15 0.00 0.00 0.00 0.00 46.02 45.35 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 0.11 0.00 1.61 0.13 -1.72 0.16 132.00 132.30 2g50 h PRO 52 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 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 0.07 0.00 0.00 -0.23 0.00 0.00 178.00 177.84 2g50 h ALA 53 N 1.79 1.00 0.00 -0.56 0.00 -1.41 -3.38 119.26 116.69 2g50 h ALA 53 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2g50 h ALA 53 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2g50 h ALA 53 CO -0.02 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.10 2g50 n SER 54 N -2.80 0.46 -0.20 0.00 3.41 -0.10 -4.86 113.62 109.53 2g50 n SER 54 Ca 0.03 -1.11 0.12 0.00 -0.26 0.00 0.00 58.87 57.66 2g50 n SER 54 Cb 0.43 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.66 2g50 n SER 54 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2g50 n ARG 55 N -0.05 0.62 -2.29 4.33 1.85 -0.34 -4.07 116.66 116.71 2g50 n ARG 55 Ca 0.00 -0.40 -0.36 0.00 -1.00 0.00 0.00 57.85 56.09 2g50 n ARG 55 Cb 0.24 -1.49 -0.01 0.00 -1.05 0.00 0.00 32.46 30.15 2g50 n ARG 55 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2g50 s SER 56 N -2.65 6.08 0.23 2.89 1.04 -1.26 -4.82 113.70 115.21 2g50 s SER 56 Ca 0.20 2.23 -0.07 0.00 0.48 0.00 0.00 55.95 58.79 2g50 s SER 56 Cb 0.19 -2.59 0.31 0.00 0.10 0.00 0.00 66.02 64.03 2g50 s SER 56 CO 0.59 -0.98 1.83 0.58 0.98 0.00 0.00 173.24 176.24 2g50 h VAL 57 N 1.67 0.98 -0.15 5.02 2.07 -1.89 -0.31 116.25 123.64 2g50 h VAL 57 Ca -0.49 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 66.77 2g50 h VAL 57 Cb 1.25 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2g50 h VAL 57 CO 0.59 0.15 -0.03 -0.08 0.02 0.00 0.00 177.57 178.22 2g50 h GLU 58 N 0.82 0.01 -0.51 1.57 4.81 -1.95 -1.20 114.58 118.13 2g50 h GLU 58 Ca 0.35 -0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.48 2g50 h GLU 58 Cb 0.22 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 2g50 h GLU 58 CO -0.19 0.01 -0.09 1.15 -0.73 0.00 0.00 179.01 179.15 2g50 h THR 59 N 0.01 1.27 -0.79 0.32 2.02 -1.79 -2.99 112.91 110.96 2g50 h THR 59 Ca 0.07 -1.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.02 2g50 h THR 59 Cb 0.10 1.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 2g50 h THR 59 CO -0.15 0.43 0.45 -0.07 0.37 0.00 0.00 175.52 176.56 2g50 h LEU 60 N 0.83 0.96 -0.32 2.58 3.38 -0.81 0.45 115.31 122.38 2g50 h LEU 60 Ca 0.13 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2g50 h LEU 60 Cb 0.64 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2g50 h LEU 60 CO 0.04 0.76 0.07 0.11 0.09 0.00 0.00 178.44 179.51 2g50 h LYS 61 N 1.09 0.18 -0.03 1.13 1.57 -1.12 -0.51 116.57 118.88 2g50 h LYS 61 Ca 0.28 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.97 2g50 h LYS 61 Cb -0.01 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2g50 h LYS 61 CO -0.05 0.12 -0.38 0.93 -0.57 0.00 0.00 179.45 179.51 2g50 h GLU 62 N 0.19 0.07 -0.52 3.15 4.39 -1.23 -1.57 114.58 119.06 2g50 h GLU 62 Ca 0.15 -0.03 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 2g50 h GLU 62 Cb 0.15 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2g50 h GLU 62 CO -0.19 0.44 -0.08 0.52 -1.16 0.00 0.00 179.01 178.54 2g50 h MET 63 N 0.06 0.96 -0.19 2.33 2.86 -0.29 0.29 114.93 120.95 2g50 h MET 63 Ca 0.00 -0.33 -0.00 0.00 -2.06 0.00 0.00 59.70 57.31 2g50 h MET 63 Cb 0.69 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 2g50 h MET 63 CO 0.05 1.00 0.11 0.82 1.06 0.00 0.00 176.91 179.95 2g50 h ILE 64 N 0.86 1.10 -0.52 -1.22 2.04 -0.79 -0.58 117.51 118.41 2g50 h ILE 64 Ca 0.14 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.75 2g50 h ILE 64 Cb 0.62 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 2g50 h ILE 64 CO 0.04 0.10 0.34 0.11 0.00 0.00 0.00 178.15 178.74 2g50 h LYS 65 N 0.21 0.60 0.00 2.37 1.57 -1.04 -2.34 116.57 117.94 2g50 h LYS 65 Ca 0.07 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2g50 h LYS 65 Cb 0.07 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2g50 h LYS 65 CO -0.01 0.40 0.00 0.77 -0.57 0.00 0.00 179.45 180.04 2g50 h SER 66 N 0.62 0.00 0.00 0.86 0.02 -0.48 -3.47 113.55 111.10 2g50 h SER 66 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2g50 h SER 66 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2g50 h SER 66 CO -0.05 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.25 2g50 n GLY 67 N 1.18 -0.11 3.71 -3.77 0.00 -0.68 -4.30 105.19 101.23 2g50 n GLY 67 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 2.55 -0.04 1.61 0.00 -0.31 -4.52 117.12 116.40 2g50 n MET 68 Ca 0.00 0.92 -0.05 0.00 0.00 0.00 0.00 57.70 58.57 2g50 n MET 68 Cb 0.00 -2.71 -0.07 0.00 0.00 0.00 0.00 33.22 30.44 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 3.19 2.87 -3.89 6.12 5.03 0.12 -4.64 115.26 124.06 2g50 n ASN 69 Ca 0.14 -0.00 -0.19 0.00 0.87 0.00 0.00 54.58 55.39 2g50 n ASN 69 Cb 0.34 0.65 -0.16 0.00 -1.02 0.00 0.00 39.78 39.59 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 -2.21 0.47 -0.28 2.41 1.01 -0.96 -1.39 120.40 119.45 2g50 s VAL 70 Ca -0.05 -0.11 -0.13 0.00 0.00 0.00 0.00 61.98 61.69 2g50 s VAL 70 Cb 0.03 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 2g50 s VAL 70 CO 0.35 0.20 0.30 0.00 0.00 0.00 0.00 175.10 175.94 2g50 s ALA 71 N 0.76 3.54 -0.23 5.51 0.00 -0.07 -0.67 121.76 130.60 2g50 s ALA 71 Ca -0.10 -0.96 -0.13 0.00 0.00 0.00 0.00 51.96 50.77 2g50 s ALA 71 Cb -0.13 -2.63 -0.05 0.00 0.00 0.00 0.00 23.12 20.32 2g50 s ALA 71 CO -0.00 -0.65 0.26 0.50 0.00 0.00 0.00 175.76 175.87 2g50 s ARG 72 N 1.94 4.09 -0.26 0.00 3.52 0.30 -0.89 118.95 127.65 2g50 s ARG 72 Ca 0.11 -0.09 -0.08 0.00 -0.13 0.00 0.00 55.73 55.54 2g50 s ARG 72 Cb -0.16 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.64 2g50 s ARG 72 CO 0.10 -0.02 0.11 -1.64 -0.81 0.00 0.00 175.30 173.04 2g50 s MET 73 N 1.28 3.75 -0.42 5.12 -1.94 -0.01 -1.66 119.30 125.42 2g50 s MET 73 Ca 0.12 -0.43 -0.20 0.00 -1.71 0.00 0.00 55.69 53.48 2g50 s MET 73 Cb -0.14 -3.42 0.02 0.00 2.01 0.00 0.00 34.83 33.30 2g50 s MET 73 CO 0.07 -0.17 0.58 1.21 -0.01 0.00 0.00 175.02 176.70 2g50 s ASN 74 N 1.61 6.29 0.00 3.03 2.47 -1.26 -1.13 114.94 125.95 2g50 s ASN 74 Ca 0.06 -0.38 0.09 0.00 0.42 0.00 0.00 52.86 53.05 2g50 s ASN 74 Cb -0.15 -2.29 0.34 0.00 -1.45 0.00 0.00 41.25 37.69 2g50 s ASN 74 CO 0.06 -0.70 1.25 0.49 -3.72 0.00 0.00 177.10 174.48 2g50 n PHE 75 N 6.04 0.24 0.29 0.43 3.01 0.42 -3.28 117.46 124.61 2g50 n PHE 75 Ca -0.03 -0.12 0.15 0.00 1.01 0.00 0.00 57.45 58.46 2g50 n PHE 75 Cb 0.48 0.00 0.87 0.00 -0.01 0.00 0.00 39.48 40.82 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 1.23 0.00 -4.94 4.37 0.02 -1.82 -3.37 113.55 109.04 2g50 h SER 76 Ca 0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 2g50 h SER 76 Cb 0.28 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.67 2g50 h SER 76 CO 0.00 0.05 -0.67 -1.00 -1.14 0.00 0.00 176.83 174.08 2g50 s HIS 77 N -4.30 0.95 0.00 3.45 3.76 -1.21 -5.00 115.29 112.94 2g50 s HIS 77 Ca -0.04 -1.08 0.00 0.00 -0.15 0.00 0.00 55.06 53.79 2g50 s HIS 77 Cb 0.13 -0.55 0.00 0.00 1.11 0.00 0.00 32.58 33.27 2g50 s HIS 77 CO 0.54 -0.33 0.00 0.41 -0.85 0.00 0.00 174.74 174.51 2g50 n GLY 78 N -0.11 -0.49 3.91 -2.22 0.00 -1.26 -4.88 105.19 100.14 2g50 n GLY 78 Ca -0.08 -1.48 -0.27 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.75 3.54 0.23 2.61 -4.23 -1.26 -4.92 115.64 108.86 2g50 s THR 79 Ca 0.00 0.11 -0.07 0.00 -1.18 0.00 0.00 61.69 60.55 2g50 s THR 79 Cb 0.00 -3.44 0.18 0.00 1.34 0.00 0.00 72.50 70.59 2g50 s THR 79 CO 0.00 -0.48 1.82 0.45 -0.54 0.00 0.00 174.62 175.87 2g50 h HIS 80 N -0.32 0.81 -0.61 3.99 -0.00 -1.99 -1.17 115.15 115.88 2g50 h HIS 80 Ca -0.45 0.03 0.07 0.00 -0.00 0.00 0.00 60.37 60.01 2g50 h HIS 80 Cb 1.26 -0.25 -0.06 0.00 -0.00 0.00 0.00 27.41 28.36 2g50 h HIS 80 CO 0.47 0.38 0.30 1.49 -0.00 0.00 0.00 177.93 180.57 2g50 h GLU 81 N 0.80 0.53 0.01 2.45 4.81 -1.99 0.14 114.58 121.33 2g50 h GLU 81 Ca 0.35 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.54 2g50 h GLU 81 Cb 0.23 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 2g50 h GLU 81 CO -0.20 0.35 -0.01 -0.92 -0.73 0.00 0.00 179.01 177.51 2g50 h TYR 82 N 0.55 -0.02 -0.30 0.92 3.20 -1.80 -2.36 116.97 117.16 2g50 h TYR 82 Ca 0.28 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 62.03 2g50 h TYR 82 Cb 0.24 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 2g50 h TYR 82 CO -0.11 -0.02 -0.34 0.45 -1.64 0.00 0.00 178.16 176.51 2g50 h HIS 83 N -0.02 0.76 -0.77 -3.82 3.86 -0.95 -1.73 115.15 112.49 2g50 h HIS 83 Ca -0.00 -0.20 0.04 0.00 -1.16 0.00 0.00 60.37 59.05 2g50 h HIS 83 Cb 0.02 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 28.27 2g50 h HIS 83 CO -0.08 0.91 0.47 0.00 0.86 0.00 0.00 177.93 180.09 2g50 h ALA 84 N 1.08 1.02 -0.42 2.45 0.00 -0.68 0.03 119.26 122.74 2g50 h ALA 84 Ca 0.06 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2g50 h ALA 84 Cb 0.84 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2g50 h ALA 84 CO 0.07 0.23 -0.19 1.49 0.00 0.00 0.00 179.25 180.85 2g50 h GLU 85 N 0.90 0.88 -0.24 0.00 4.81 -1.02 0.02 114.58 119.92 2g50 h GLU 85 Ca 0.32 -0.38 0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2g50 h GLU 85 Cb 0.09 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 2g50 h GLU 85 CO -0.14 1.02 0.07 1.15 -0.73 0.00 0.00 179.01 180.38 2g50 h THR 86 N 0.70 0.91 -0.61 0.32 2.02 -0.99 -0.66 112.91 114.60 2g50 h THR 86 Ca 0.10 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.23 2g50 h THR 86 Cb 0.75 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 2g50 h THR 86 CO 0.06 0.03 0.40 0.40 0.37 0.00 0.00 175.52 176.78 2g50 h ILE 87 N 0.17 1.14 -0.55 3.11 2.04 -0.81 0.05 117.51 122.66 2g50 h ILE 87 Ca 0.11 -0.28 0.05 0.00 1.00 0.00 0.00 64.86 65.74 2g50 h ILE 87 Cb 0.09 0.26 -0.05 0.00 -0.74 0.00 0.00 36.82 36.39 2g50 h ILE 87 CO -0.13 0.15 0.29 0.50 0.00 0.00 0.00 178.15 178.96 2g50 h LYS 88 N 0.80 0.54 -0.60 2.37 3.64 -0.74 -1.40 116.57 121.19 2g50 h LYS 88 Ca 0.23 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.48 2g50 h LYS 88 Cb -0.07 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.61 2g50 h LYS 88 CO -0.06 0.36 0.00 -0.91 -2.27 0.00 0.00 179.45 176.57 2g50 h ASN 89 N 0.56 1.03 -0.43 4.20 2.35 -0.35 -0.32 115.58 122.61 2g50 h ASN 89 Ca 0.24 -0.30 0.06 0.00 -0.55 0.00 0.00 56.30 55.75 2g50 h ASN 89 Cb 0.14 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 38.19 2g50 h ASN 89 CO -0.16 1.08 0.14 0.58 -1.65 0.00 0.00 177.43 177.42 2g50 h VAL 90 N 0.95 0.84 -0.38 2.81 2.07 -0.66 -1.30 116.25 120.58 2g50 h VAL 90 Ca 0.17 -0.10 -0.11 0.00 0.82 0.00 0.00 66.70 67.48 2g50 h VAL 90 Cb 0.55 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2g50 h VAL 90 CO 0.03 0.05 -0.21 0.03 0.02 0.00 0.00 177.57 177.49 2g50 h ARG 91 N 0.30 0.75 -0.42 1.57 3.08 -0.89 0.10 114.38 118.87 2g50 h ARG 91 Ca 0.20 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2g50 h ARG 91 Cb 0.21 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 2g50 h ARG 91 CO -0.22 0.90 0.21 1.15 -1.07 0.00 0.00 179.97 180.93 2g50 h THR 92 N 0.66 1.17 -0.37 2.04 2.02 -0.79 0.38 112.91 118.02 2g50 h THR 92 Ca 0.09 -0.48 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 2g50 h THR 92 Cb 0.71 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 2g50 h THR 92 CO 0.05 0.19 0.10 0.00 0.37 0.00 0.00 175.52 176.23 2g50 h ALA 93 N 1.05 0.48 -0.24 6.16 0.00 -0.99 -2.24 119.26 123.49 2g50 h ALA 93 Ca 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2g50 h ALA 93 Cb 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2g50 h ALA 93 CO -0.02 0.13 0.12 1.15 0.00 0.00 0.00 179.25 180.63 2g50 h THR 94 N 0.44 1.14 0.00 0.00 2.02 -0.78 -2.76 112.91 112.97 2g50 h THR 94 Ca 0.12 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2g50 h THR 94 Cb 0.27 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 2g50 h THR 94 CO -0.00 0.14 0.00 -0.62 0.37 0.00 0.00 175.52 175.41 2g50 n GLU 95 N -4.83 0.15 0.24 6.66 -0.58 0.10 -2.67 120.64 119.72 2g50 n GLU 95 Ca -0.03 0.30 0.17 0.00 -0.42 0.00 0.00 57.16 57.18 2g50 n GLU 95 Cb 0.10 -1.75 0.78 0.00 -0.57 0.00 0.00 31.44 30.00 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 -0.11 1.62 4.64 -1.09 -1.62 113.55 117.00 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 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 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 -2.74 0.11 0.42 4.77 3.72 -1.09 -4.63 117.46 118.02 2g50 n PHE 97 Ca -0.01 -0.05 0.13 0.00 -0.05 0.00 0.00 57.45 57.47 2g50 n PHE 97 Cb 0.17 -0.00 0.49 0.00 -0.94 0.00 0.00 39.48 39.20 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 4.67 1.00 0.00 4.37 0.00 -1.45 -3.12 119.26 124.73 2g50 h ALA 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2g50 h ALA 98 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2g50 h ALA 98 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 2g50 h SER 99 N 0.00 0.00 -3.84 0.00 4.64 -1.82 -3.35 113.55 109.19 2g50 h SER 99 Ca 0.00 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.66 2g50 h SER 99 Cb 0.44 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.14 2g50 h SER 99 CO 0.00 0.00 -0.66 -0.62 -0.87 0.00 0.00 176.83 174.68 2g50 s ASP 100 N -5.09 4.75 0.58 4.97 -1.08 -1.18 -4.98 116.67 114.64 2g50 s ASP 100 Ca 0.01 -2.36 0.30 0.00 -0.52 0.00 0.00 52.55 49.98 2g50 s ASP 100 Cb 0.09 -1.67 1.76 0.00 -1.46 0.00 0.00 42.92 41.65 2g50 s ASP 100 CO 0.46 -0.37 2.21 -0.65 0.52 0.00 0.00 175.17 177.35 2g50 h PRO 101 N 7.39 0.00 0.00 4.34 0.11 -1.85 0.10 132.00 142.10 2g50 h PRO 101 Ca -0.06 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.87 2g50 h PRO 101 Cb 0.99 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 2g50 h PRO 101 CO 0.59 0.03 -0.83 0.82 -0.21 0.00 0.00 178.00 178.40 2g50 h ILE 102 N 0.00 1.54 0.00 4.15 5.03 -1.94 -3.34 117.51 122.95 2g50 h ILE 102 Ca -0.00 -2.68 0.00 0.00 -0.12 0.00 0.00 64.86 62.06 2g50 h ILE 102 Cb 0.09 2.46 0.00 0.00 -3.03 0.00 0.00 36.82 36.34 2g50 h ILE 102 CO 0.00 0.77 -1.46 0.18 -0.68 0.00 0.00 178.15 176.96 2g50 n LEU 103 N -3.62 0.24 -4.66 1.44 4.77 -0.84 -4.67 117.00 109.66 2g50 n LEU 103 Ca -0.02 -0.15 -0.48 0.00 -0.03 0.00 0.00 56.01 55.33 2g50 n LEU 103 Cb 0.78 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.83 2g50 n LEU 103 CO 0.46 0.06 1.23 0.00 -1.33 0.00 0.00 177.39 177.81 2g50 n TYR 104 N -1.87 2.20 -3.73 -1.77 9.36 0.29 -4.98 117.16 116.66 2g50 n TYR 104 Ca -0.01 0.25 -0.38 0.00 3.32 0.00 0.00 57.90 61.09 2g50 n TYR 104 Cb 0.38 -2.55 -0.12 0.00 -0.63 0.00 0.00 39.34 36.42 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 1.69 3.26 0.61 2.98 0.52 -1.26 -4.86 118.95 121.89 2g50 s ARG 105 Ca 0.83 -0.75 -0.19 0.00 -0.52 0.00 0.00 55.73 55.10 2g50 s ARG 105 Cb -0.73 -3.42 -0.03 0.00 0.52 0.00 0.00 34.95 31.30 2g50 s ARG 105 CO 0.43 -0.39 1.28 -2.14 0.02 0.00 0.00 175.30 174.50 2g50 s PRO 106 N 1.55 2.79 -0.08 3.54 0.02 -1.26 -5.01 135.00 136.56 2g50 s PRO 106 Ca 0.04 2.03 0.01 0.00 0.02 0.00 0.00 61.00 63.10 2g50 s PRO 106 Cb -0.17 -1.95 0.02 0.00 0.02 0.00 0.00 34.50 32.42 2g50 s PRO 106 CO 0.04 -1.40 -0.07 0.08 -0.33 0.00 0.00 177.00 175.31 2g50 s VAL 107 N -1.43 0.85 0.44 3.83 1.01 -1.26 -4.91 120.40 118.93 2g50 s VAL 107 Ca 0.79 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 62.41 2g50 s VAL 107 Cb -0.36 -0.86 -0.06 0.00 0.00 0.00 0.00 36.38 35.10 2g50 s VAL 107 CO 0.39 0.32 0.82 0.00 0.00 0.00 0.00 175.10 176.63 2g50 s ALA 108 N 1.26 3.30 -0.15 5.51 0.00 -0.48 -4.94 121.76 126.25 2g50 s ALA 108 Ca -0.04 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 51.76 2g50 s ALA 108 Cb -0.14 -2.78 0.01 0.00 0.00 0.00 0.00 23.12 20.21 2g50 s ALA 108 CO -0.02 -0.12 -0.19 0.08 0.00 0.00 0.00 175.76 175.51 2g50 s VAL 109 N -2.49 2.34 -0.06 0.00 1.01 -1.26 -0.89 120.40 119.05 2g50 s VAL 109 Ca 0.52 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.68 2g50 s VAL 109 Cb -0.10 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 2g50 s VAL 109 CO 0.34 0.53 -0.22 0.00 0.00 0.00 0.00 175.10 175.75 2g50 s ALA 110 N 0.85 2.28 -0.25 5.51 0.00 -0.07 -0.93 121.76 129.16 2g50 s ALA 110 Ca -0.05 -1.03 -0.08 0.00 0.00 0.00 0.00 51.96 50.80 2g50 s ALA 110 Cb -0.15 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 2g50 s ALA 110 CO -0.02 0.43 0.08 -1.17 0.00 0.00 0.00 175.76 175.08 2g50 s LEU 111 N -0.23 3.51 -0.31 0.00 0.20 -0.62 -0.83 118.68 120.39 2g50 s LEU 111 Ca -0.01 -0.17 -0.08 0.00 0.69 0.00 0.00 54.13 54.56 2g50 s LEU 111 Cb -0.13 -1.94 0.01 0.00 -0.43 0.00 0.00 46.19 43.70 2g50 s LEU 111 CO 0.03 -0.02 0.12 -0.62 -0.29 0.00 0.00 176.35 175.57 2g50 s ASP 112 N 1.52 5.33 0.58 3.68 -1.08 -0.29 -0.08 116.67 126.33 2g50 s ASP 112 Ca 0.06 -0.69 -0.18 0.00 -0.52 0.00 0.00 52.55 51.22 2g50 s ASP 112 Cb -0.15 -1.93 -0.04 0.00 -1.46 0.00 0.00 42.92 39.34 2g50 s ASP 112 CO 0.04 -0.22 1.10 0.42 0.52 0.00 0.00 175.17 177.03 2g50 s THR 113 N 1.54 3.40 0.07 1.71 -4.23 -0.51 -0.44 115.64 117.18 2g50 s THR 113 Ca 0.03 0.77 -0.28 0.00 -1.18 0.00 0.00 61.69 61.03 2g50 s THR 113 Cb -0.17 -3.28 -0.17 0.00 1.34 0.00 0.00 72.50 70.22 2g50 s THR 113 CO 0.04 -0.29 1.64 0.50 -0.54 0.00 0.00 174.62 175.96 2g50 h LYS 114 N 0.76 -0.44 0.00 3.99 3.64 -1.92 -3.40 116.57 119.21 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 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 2g50 h LYS 114 CO 0.56 -0.27 0.00 0.41 -2.27 0.00 0.00 179.45 177.89 2g50 n GLY 115 N -1.18 -1.40 2.66 5.01 0.00 -1.26 -4.21 105.19 104.80 2g50 n GLY 115 Ca -0.10 -1.20 -0.29 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.86 2.25 -2.55 1.61 -0.04 -1.26 -4.93 135.00 129.23 2g50 n PRO 116 Ca 0.00 -1.68 -0.36 0.00 -0.04 0.00 0.00 63.50 61.42 2g50 n PRO 116 Cb 0.00 -2.62 -0.04 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 3.49 4.15 -0.15 0.54 2.02 -1.26 -4.99 118.70 122.50 2g50 s GLU 117 Ca 0.47 1.49 -0.03 0.00 0.02 0.00 0.00 54.97 56.92 2g50 s GLU 117 Cb 0.12 -2.51 -0.02 0.00 0.10 0.00 0.00 34.13 31.82 2g50 s GLU 117 CO -0.01 -0.15 -0.06 0.42 0.02 0.00 0.00 175.26 175.47 2g50 s ILE 118 N -1.69 3.64 0.05 -1.63 1.01 -1.26 -4.93 121.20 116.39 2g50 s ILE 118 Ca 0.58 -0.45 0.02 0.00 0.00 0.00 0.00 60.65 60.81 2g50 s ILE 118 Cb -0.21 -2.58 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 2g50 s ILE 118 CO 0.27 0.50 -0.07 -0.13 0.00 0.00 0.00 174.94 175.50 2g50 s ARG 119 N 0.41 0.56 0.78 2.79 0.52 -1.26 -0.83 118.95 121.91 2g50 s ARG 119 Ca -0.06 -0.84 -0.10 0.00 -0.52 0.00 0.00 55.73 54.21 2g50 s ARG 119 Cb -0.15 -0.23 0.08 0.00 0.52 0.00 0.00 34.95 35.18 2g50 s ARG 119 CO 0.04 0.03 1.12 0.95 0.02 0.00 0.00 175.30 177.45 2g50 s THR 120 N -1.80 2.11 0.00 0.02 -4.23 -0.69 -1.75 115.64 109.30 2g50 s THR 120 Ca -0.07 -0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.32 2g50 s THR 120 Cb -0.07 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.78 2g50 s THR 120 CO -0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 2g50 n GLY 121 N -3.18 0.28 3.87 3.99 0.00 -0.70 -3.51 105.19 105.94 2g50 n GLY 121 Ca 0.09 -1.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.01 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 3.61 0.00 0.99 1.02 -0.72 -1.18 118.68 122.40 2g50 s LEU 122 Ca 0.00 1.31 0.00 0.00 0.02 0.00 0.00 54.13 55.46 2g50 s LEU 122 Cb 0.00 -4.26 0.00 0.00 0.02 0.00 0.00 46.19 41.95 2g50 s LEU 122 CO 0.00 -0.58 0.00 0.00 0.02 0.00 0.00 176.35 175.79 2g50 n ALA 129 N -1.82 -0.86 -1.55 4.21 0.00 -1.26 -1.83 120.51 117.41 2g50 n ALA 129 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.48 2g50 n ALA 129 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.99 2g50 n ALA 129 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2g50 n GLU 130 N 0.47 -0.20 -4.24 0.00 2.13 -1.26 -4.99 120.64 112.56 2g50 n GLU 130 Ca 0.00 0.63 -0.34 0.00 0.66 0.00 0.00 57.16 58.11 2g50 n GLU 130 Cb 0.00 -1.18 -0.15 0.00 0.27 0.00 0.00 31.44 30.39 2g50 n GLU 130 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2g50 s VAL 131 N -0.03 2.82 -0.09 6.31 1.01 0.15 -4.89 120.40 125.69 2g50 s VAL 131 Ca -0.01 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 2g50 s VAL 131 Cb 0.00 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 2g50 s VAL 131 CO 0.03 0.49 1.14 -0.70 0.00 0.00 0.00 175.10 176.07 2g50 s GLU 132 N 1.10 4.35 -0.12 2.72 2.56 -1.26 -0.19 118.70 127.87 2g50 s GLU 132 Ca 0.00 1.57 -0.05 0.00 0.00 0.00 0.00 54.97 56.50 2g50 s GLU 132 Cb -0.14 -3.58 -0.04 0.00 2.00 0.00 0.00 34.13 32.37 2g50 s GLU 132 CO -0.04 -0.45 0.05 -0.51 -0.56 0.00 0.00 175.26 173.76 2g50 s LEU 133 N 2.34 3.85 -0.04 2.70 1.43 -0.73 -4.89 118.68 123.34 2g50 s LEU 133 Ca 0.53 0.22 0.06 0.00 -1.03 0.00 0.00 54.13 53.90 2g50 s LEU 133 Cb -0.22 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 2g50 s LEU 133 CO 0.19 0.34 -0.21 -0.54 0.23 0.00 0.00 176.35 176.36 2g50 s LYS 134 N -0.63 2.42 0.08 1.70 1.02 -1.26 -2.20 119.74 120.86 2g50 s LYS 134 Ca 0.11 -0.83 -0.35 0.00 0.02 0.00 0.00 55.97 54.92 2g50 s LYS 134 Cb -0.12 -2.22 -0.15 0.00 -0.52 0.00 0.00 37.83 34.82 2g50 s LYS 134 CO 0.02 0.53 1.53 1.17 -0.92 0.00 0.00 175.35 177.68 2g50 n LYS 135 N 2.56 1.70 0.00 1.68 4.81 -1.26 -1.78 118.16 125.87 2g50 n LYS 135 Ca -0.17 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 2g50 n LYS 135 Cb 0.52 -2.34 0.00 0.00 0.02 0.00 0.00 35.03 33.23 2g50 n LYS 135 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2g50 n GLY 136 N 3.22 3.01 3.77 3.14 0.00 0.24 -5.00 105.19 113.58 2g50 n GLY 136 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.19 2.54 0.29 4.61 0.00 -0.73 -4.59 121.76 121.68 2g50 s ALA 137 Ca 0.00 0.71 -0.18 0.00 0.00 0.00 0.00 51.96 52.49 2g50 s ALA 137 Cb 0.00 -3.35 -0.09 0.00 0.00 0.00 0.00 23.12 19.68 2g50 s ALA 137 CO 0.00 -1.10 0.76 -0.08 0.00 0.00 0.00 175.76 175.34 2g50 s THR 138 N -2.04 4.58 -0.04 0.00 -1.32 -1.26 -0.60 115.64 114.95 2g50 s THR 138 Ca 0.70 1.19 -0.02 0.00 -1.21 0.00 0.00 61.69 62.35 2g50 s THR 138 Cb -0.23 -3.74 0.03 0.00 -1.51 0.00 0.00 72.50 67.05 2g50 s THR 138 CO 0.35 -0.01 0.08 -0.22 -2.21 0.00 0.00 174.62 172.61 2g50 s LEU 139 N -2.51 0.46 -0.33 9.08 0.20 0.02 -4.61 118.68 120.99 2g50 s LEU 139 Ca 0.50 0.14 -0.19 0.00 0.69 0.00 0.00 54.13 55.27 2g50 s LEU 139 Cb -0.13 0.01 -0.01 0.00 -0.43 0.00 0.00 46.19 45.63 2g50 s LEU 139 CO 0.19 -0.20 0.55 -0.75 -0.29 0.00 0.00 176.35 175.85 2g50 s LYS 140 N 1.73 3.76 -0.20 1.98 2.20 0.76 0.57 119.74 130.55 2g50 s LYS 140 Ca -0.01 0.03 -0.29 0.00 -0.36 0.00 0.00 55.97 55.33 2g50 s LYS 140 Cb -0.12 -3.77 0.00 0.00 -1.51 0.00 0.00 37.83 32.43 2g50 s LYS 140 CO -0.04 -0.59 1.02 0.42 -0.36 0.00 0.00 175.35 175.80 2g50 s ILE 141 N 2.46 4.72 0.13 5.43 1.01 0.43 -0.56 121.20 134.81 2g50 s ILE 141 Ca 0.21 2.00 0.09 0.00 0.00 0.00 0.00 60.65 62.95 2g50 s ILE 141 Cb -0.15 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 37.98 2g50 s ILE 141 CO 0.13 -0.12 -0.18 0.28 0.00 0.00 0.00 174.94 175.04 2g50 s THR 142 N 2.85 2.83 -0.67 2.92 -1.32 0.11 -0.01 115.64 122.36 2g50 s THR 142 Ca 0.45 -1.55 0.18 0.00 -1.21 0.00 0.00 61.69 59.55 2g50 s THR 142 Cb -0.16 -2.31 -0.21 0.00 -1.51 0.00 0.00 72.50 68.31 2g50 s THR 142 CO 0.09 0.07 0.68 0.18 -2.21 0.00 0.00 174.62 173.43 2g50 n LEU 143 N 0.70 0.66 -4.63 9.08 4.77 -1.26 -2.05 117.00 124.27 2g50 n LEU 143 Ca -0.15 -0.40 -0.43 0.00 -0.03 0.00 0.00 56.01 55.00 2g50 n LEU 143 Cb 0.53 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 2g50 n LEU 143 CO 0.29 0.17 1.54 -0.62 -1.33 0.00 0.00 177.39 177.43 2g50 s ASP 144 N -2.95 6.17 0.00 -1.43 2.15 -1.26 -4.85 116.67 114.50 2g50 s ASP 144 Ca 0.04 1.93 0.09 0.00 0.43 0.00 0.00 52.55 55.04 2g50 s ASP 144 Cb 0.13 -2.53 0.43 0.00 -0.30 0.00 0.00 42.92 40.65 2g50 s ASP 144 CO 0.73 -1.38 1.27 0.59 -0.17 0.00 0.00 175.17 176.21 2g50 n ASN 145 N 9.01 0.00 0.33 -0.34 5.03 -1.26 -1.81 115.26 126.22 2g50 n ASN 145 Ca 0.22 0.39 0.22 0.00 0.87 0.00 0.00 54.58 56.27 2g50 n ASN 145 Cb 0.44 -0.43 1.13 0.00 -1.02 0.00 0.00 39.78 39.90 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 2.37 1.03 -0.40 5.41 0.00 -2.02 -2.29 119.26 123.37 2g50 h ALA 146 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2g50 h ALA 146 Cb 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2g50 h ALA 146 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 2g50 n TYR 147 N -3.13 0.54 0.32 0.00 4.01 -0.75 -4.71 117.16 113.43 2g50 n TYR 147 Ca -0.02 -0.49 0.20 0.00 -0.16 0.00 0.00 57.90 57.43 2g50 n TYR 147 Cb 0.11 -0.02 1.03 0.00 -0.31 0.00 0.00 39.34 40.15 2g50 n TYR 147 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2g50 h MET 148 N 2.41 0.00 0.00 -0.72 -0.00 -1.55 -1.73 114.93 113.34 2g50 h MET 148 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2g50 h MET 148 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.37 2g50 h MET 148 CO 0.00 0.01 -0.08 0.39 -0.00 0.00 0.00 176.91 177.23 2g50 n GLU 149 N -3.19 1.30 -2.62 -0.10 1.02 -1.26 -1.75 120.64 114.03 2g50 n GLU 149 Ca -0.02 -2.05 -0.14 0.00 -0.02 0.00 0.00 57.16 54.93 2g50 n GLU 149 Cb 0.14 -1.21 0.02 0.00 -0.02 0.00 0.00 31.44 30.37 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 -0.98 1.79 -2.61 3.49 5.02 -0.65 -4.73 118.16 119.48 2g50 n LYS 150 Ca 0.10 -3.61 -0.42 0.00 -2.02 0.00 0.00 58.31 52.36 2g50 n LYS 150 Cb 0.58 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 34.02 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 3.58 1.03 0.18 0.00 10.43 0.17 -5.00 116.55 126.94 2g50 n ASP 152 Ca 0.06 -0.55 0.05 0.00 2.57 0.00 0.00 54.79 56.92 2g50 n ASP 152 Cb 0.49 0.00 0.33 0.00 1.84 0.00 0.00 41.12 43.78 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 0.00 0.00 -1.24 3.07 -1.96 -3.35 114.58 111.11 2g50 h GLU 153 Ca 0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.76 2g50 h GLU 153 Cb 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 2g50 h GLU 153 CO 0.00 0.40 -1.63 0.09 -1.40 0.00 0.00 179.01 176.47 2g50 n ASN 154 N -3.62 2.42 -3.89 1.42 4.13 -1.26 -4.60 115.26 109.85 2g50 n ASN 154 Ca -0.01 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 56.00 2g50 n ASN 154 Cb 0.50 1.10 -0.17 0.00 -1.54 0.00 0.00 39.78 39.68 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 -2.49 0.89 -0.11 2.41 1.01 -1.26 -0.17 121.20 121.48 2g50 s ILE 155 Ca -0.05 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.40 2g50 s ILE 155 Cb 0.05 -0.93 0.01 0.00 0.01 0.00 0.00 42.46 41.61 2g50 s ILE 155 CO 0.45 0.34 -0.17 -0.22 0.00 0.00 0.00 174.94 175.34 2g50 s LEU 156 N 1.61 1.83 0.09 2.97 2.96 0.28 0.45 118.68 128.87 2g50 s LEU 156 Ca 0.02 -0.47 -0.12 0.00 -0.22 0.00 0.00 54.13 53.34 2g50 s LEU 156 Cb -0.13 -1.18 -0.06 0.00 0.50 0.00 0.00 46.19 45.32 2g50 s LEU 156 CO -0.06 0.04 0.45 0.86 -1.32 0.00 0.00 176.35 176.32 2g50 s TRP 157 N 0.91 3.61 0.12 5.38 -0.00 -1.26 0.07 118.94 127.77 2g50 s TRP 157 Ca -0.07 0.90 -0.04 0.00 -0.00 0.00 0.00 56.10 56.89 2g50 s TRP 157 Cb -0.15 -2.24 -0.03 0.00 -0.00 0.00 0.00 33.47 31.05 2g50 s TRP 157 CO -0.01 0.51 0.12 -0.48 -0.00 0.00 0.00 176.95 177.09 2g50 s LEU 158 N -1.82 1.62 0.00 5.86 -0.00 -0.87 -1.72 118.68 121.75 2g50 s LEU 158 Ca 0.33 -1.01 0.23 0.00 -0.00 0.00 0.00 54.13 53.68 2g50 s LEU 158 Cb -0.15 0.63 0.59 0.00 -0.00 0.00 0.00 46.19 47.27 2g50 s LEU 158 CO 0.18 -0.75 1.48 -0.90 -0.00 0.00 0.00 176.35 176.35 2g50 n ASP 159 N -0.09 2.46 -4.43 1.48 3.85 -0.72 -4.64 116.55 114.46 2g50 n ASP 159 Ca -0.09 -1.83 -0.44 0.00 -0.71 0.00 0.00 54.79 51.72 2g50 n ASP 159 Cb 0.63 -0.14 -0.05 0.00 -1.35 0.00 0.00 41.12 40.21 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 -1.72 2.94 -0.37 2.11 5.04 -1.26 -4.93 117.35 119.16 2g50 s TYR 160 Ca 0.35 -0.61 0.27 0.00 -2.44 0.00 0.00 57.07 54.63 2g50 s TYR 160 Cb 0.20 -3.88 0.90 0.00 0.35 0.00 0.00 41.96 39.53 2g50 s TYR 160 CO 0.29 -1.26 1.78 0.87 -1.34 0.00 0.00 175.55 175.89 2g50 h LYS 161 N 9.19 0.00 -0.65 4.97 1.79 -1.97 -3.01 116.57 126.89 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 1.06 0.00 0.00 0.09 -1.08 0.00 0.00 179.45 179.52 2g50 n ASN 162 N -2.68 4.55 -0.29 0.86 3.02 -1.26 -4.68 115.26 114.78 2g50 n ASN 162 Ca 0.03 -2.36 0.03 0.00 -0.03 0.00 0.00 54.58 52.25 2g50 n ASN 162 Cb 0.37 -0.55 0.16 0.00 -0.61 0.00 0.00 39.78 39.15 2g50 n ASN 162 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 2g50 h ILE 163 N 4.03 0.91 0.00 2.41 2.10 -1.96 -1.79 117.51 123.21 2g50 h ILE 163 Ca 0.00 -0.27 -0.07 0.00 1.08 0.00 0.00 64.86 65.60 2g50 h ILE 163 Cb 1.35 0.06 -0.01 0.00 -1.09 0.00 0.00 36.82 37.12 2g50 h ILE 163 CO 0.18 0.14 -0.32 0.00 -1.08 0.00 0.00 178.15 177.07 2g50 h LYS 165 N 0.00 0.00 0.00 0.00 6.56 -1.68 -3.35 116.57 118.10 2g50 h LYS 165 Ca -0.00 0.00 -0.18 0.00 -1.06 0.00 0.00 60.65 59.40 2g50 h LYS 165 Cb 0.62 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.24 2g50 h LYS 165 CO 0.04 0.00 -1.89 1.55 -2.06 0.00 0.00 179.45 177.09 2g50 n VAL 166 N -3.06 0.69 -3.95 0.50 3.14 -0.78 -4.99 118.33 109.87 2g50 n VAL 166 Ca 0.02 -0.53 -0.30 0.00 -2.96 0.00 0.00 64.34 60.58 2g50 n VAL 166 Cb 0.42 -0.40 -0.04 0.00 -1.06 0.00 0.00 33.84 32.75 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 -2.55 5.22 0.55 1.55 -7.23 -0.49 -4.52 120.40 112.93 2g50 s VAL 167 Ca -0.07 -0.51 0.04 0.00 -1.81 0.00 0.00 61.98 59.64 2g50 s VAL 167 Cb 0.06 -3.56 0.03 0.00 0.56 0.00 0.00 36.38 33.47 2g50 s VAL 167 CO 0.59 0.10 0.33 -1.81 -0.31 0.00 0.00 175.10 174.01 2g50 s ASP 168 N -2.60 4.53 -0.01 4.85 1.01 -1.26 -4.85 116.67 118.34 2g50 s ASP 168 Ca 0.34 -1.35 -0.30 0.00 0.71 0.00 0.00 52.55 51.95 2g50 s ASP 168 Cb -0.13 0.50 -0.04 0.00 1.01 0.00 0.00 42.92 44.26 2g50 s ASP 168 CO 0.27 -1.09 1.23 -0.69 0.21 0.00 0.00 175.17 175.10 2g50 s VAL 169 N -2.81 4.11 0.00 -1.27 1.01 -1.26 -2.89 120.40 117.29 2g50 s VAL 169 Ca 0.27 1.48 0.00 0.00 0.00 0.00 0.00 61.98 63.73 2g50 s VAL 169 Cb -0.02 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2g50 s VAL 169 CO 0.17 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.92 2g50 n GLY 170 N 3.35 1.67 3.78 4.51 0.00 0.52 -4.99 105.19 114.03 2g50 n GLY 170 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.71 6.39 0.06 1.61 1.04 -1.14 -4.67 113.70 115.26 2g50 s SER 171 Ca 0.00 2.19 -0.06 0.00 0.48 0.00 0.00 55.95 58.56 2g50 s SER 171 Cb 0.00 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.48 2g50 s SER 171 CO 0.00 -0.76 0.31 -0.54 0.98 0.00 0.00 173.24 173.23 2g50 s LYS 172 N -2.65 3.60 -0.08 4.02 1.02 -1.26 -1.89 119.74 122.49 2g50 s LYS 172 Ca 0.62 -0.08 0.02 0.00 0.02 0.00 0.00 55.97 56.54 2g50 s LYS 172 Cb -0.26 -3.01 0.02 0.00 -0.52 0.00 0.00 37.83 34.06 2g50 s LYS 172 CO 0.31 0.59 -0.12 0.54 -0.92 0.00 0.00 175.35 175.76 2g50 s VAL 173 N -1.42 1.15 -0.08 3.17 0.11 0.43 -4.39 120.40 119.36 2g50 s VAL 173 Ca 0.32 -0.46 -0.02 0.00 -2.93 0.00 0.00 61.98 58.90 2g50 s VAL 173 Cb -0.13 -1.08 -0.03 0.00 -1.53 0.00 0.00 36.38 33.61 2g50 s VAL 173 CO 0.20 0.37 0.01 -0.31 -3.33 0.00 0.00 175.10 172.04 2g50 s TYR 174 N 0.94 3.19 -0.02 1.54 1.51 -0.07 -0.53 117.35 123.91 2g50 s TYR 174 Ca -0.09 0.21 0.03 0.00 -1.01 0.00 0.00 57.07 56.22 2g50 s TYR 174 Cb -0.15 -1.79 -0.00 0.00 -0.11 0.00 0.00 41.96 39.90 2g50 s TYR 174 CO 0.00 0.49 -0.12 0.08 -1.11 0.00 0.00 175.55 174.90 2g50 s VAL 175 N -0.91 0.95 -0.39 0.71 1.01 0.31 -0.90 120.40 121.17 2g50 s VAL 175 Ca 0.14 -0.49 -0.14 0.00 0.00 0.00 0.00 61.98 61.49 2g50 s VAL 175 Cb -0.11 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.48 2g50 s VAL 175 CO 0.03 0.28 0.52 -0.67 0.00 0.00 0.00 175.10 175.26 2g50 n ASP 176 N 2.98 -7.56 -2.93 3.32 2.03 -0.29 -1.58 116.55 112.52 2g50 n ASP 176 Ca -0.16 0.55 -0.19 0.00 0.52 0.00 0.00 54.79 55.52 2g50 n ASP 176 Cb 0.55 -5.10 0.00 0.00 -0.72 0.00 0.00 41.12 35.85 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 -0.25 -4.36 -0.64 1.67 8.00 -1.26 -1.80 116.55 117.90 2g50 n ASP 177 Ca 0.10 -0.15 -0.08 0.00 0.71 0.00 0.00 54.79 55.37 2g50 n ASP 177 Cb 0.40 -3.62 -0.04 0.00 -0.02 0.00 0.00 41.12 37.85 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 -1.11 0.95 0.09 0.44 0.00 -1.25 -4.89 105.19 99.43 2g50 n GLY 178 Ca -0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 -8.91 0.99 3.38 -1.29 -3.44 115.31 106.04 2g50 h LEU 179 Ca -0.17 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.17 2g50 h LEU 179 Cb 0.80 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.34 2g50 h LEU 179 CO 0.25 0.80 -0.64 -0.63 0.09 0.00 0.00 178.44 178.31 2g50 s ILE 180 N -2.79 4.09 0.01 1.22 1.01 -0.61 -4.60 121.20 119.54 2g50 s ILE 180 Ca 0.00 -0.29 0.08 0.00 0.00 0.00 0.00 60.65 60.45 2g50 s ILE 180 Cb 0.09 -2.80 -0.02 0.00 0.01 0.00 0.00 42.46 39.73 2g50 s ILE 180 CO 0.80 0.49 -0.25 -0.94 0.00 0.00 0.00 174.94 175.04 2g50 s SER 181 N 0.33 3.00 0.04 3.58 1.04 -0.81 -0.53 113.70 120.35 2g50 s SER 181 Ca -0.02 -0.51 0.03 0.00 0.48 0.00 0.00 55.95 55.92 2g50 s SER 181 Cb -0.14 -0.30 -0.02 0.00 0.10 0.00 0.00 66.02 65.66 2g50 s SER 181 CO 0.02 0.28 -0.09 -0.76 0.98 0.00 0.00 173.24 173.67 2g50 s LEU 182 N -0.89 2.24 -0.11 2.42 1.43 0.31 -0.49 118.68 123.59 2g50 s LEU 182 Ca 0.10 -0.53 0.03 0.00 -1.03 0.00 0.00 54.13 52.70 2g50 s LEU 182 Cb -0.10 -0.24 0.01 0.00 0.03 0.00 0.00 46.19 45.89 2g50 s LEU 182 CO 0.00 -0.16 -0.21 -1.58 0.23 0.00 0.00 176.35 174.63 2g50 s GLN 183 N -1.51 2.80 0.11 1.70 0.74 -0.83 -0.43 119.66 122.24 2g50 s GLN 183 Ca -0.08 -0.78 -0.31 0.00 0.05 0.00 0.00 55.36 54.24 2g50 s GLN 183 Cb -0.09 -2.20 -0.07 0.00 1.10 0.00 0.00 33.01 31.74 2g50 s GLN 183 CO 0.01 0.07 1.29 0.08 -0.55 0.00 0.00 175.29 176.19 2g50 s VAL 184 N 0.61 3.58 -0.15 1.34 1.01 -0.79 -1.69 120.40 124.30 2g50 s VAL 184 Ca -0.13 1.16 0.03 0.00 0.00 0.00 0.00 61.98 63.05 2g50 s VAL 184 Cb -0.17 -3.75 -0.12 0.00 0.00 0.00 0.00 36.38 32.35 2g50 s VAL 184 CO 0.04 0.11 -0.10 0.29 0.00 0.00 0.00 175.10 175.43 2g50 n LYS 185 N 3.66 0.72 -3.86 2.72 4.76 -0.12 -0.36 118.16 125.69 2g50 n LYS 185 Ca 0.09 0.07 -0.09 0.00 -2.87 0.00 0.00 58.31 55.51 2g50 n LYS 185 Cb 0.44 -1.32 -0.05 0.00 -1.84 0.00 0.00 35.03 32.26 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 -2.32 1.43 0.01 1.97 0.74 -1.17 -4.88 119.66 115.45 2g50 s GLN 186 Ca -0.18 -1.03 0.01 0.00 0.05 0.00 0.00 55.36 54.20 2g50 s GLN 186 Cb 0.05 0.49 -0.04 0.00 1.10 0.00 0.00 33.01 34.62 2g50 s GLN 186 CO 0.40 -0.60 0.05 0.15 -0.55 0.00 0.00 175.29 174.74 2g50 s LYS 187 N -3.93 2.93 0.00 1.67 3.01 -1.26 -2.40 119.74 119.76 2g50 s LYS 187 Ca 0.14 -0.57 0.00 0.00 -1.01 0.00 0.00 55.97 54.54 2g50 s LYS 187 Cb -0.01 -2.77 0.00 0.00 -1.01 0.00 0.00 37.83 34.04 2g50 s LYS 187 CO 0.02 0.63 0.00 1.97 0.51 0.00 0.00 175.35 178.47 2g50 n PHE 191 N 1.13 0.00 -3.80 3.18 -1.74 -1.26 -4.82 117.46 110.14 2g50 n PHE 191 Ca -0.13 0.00 -0.20 0.00 -0.56 0.00 0.00 57.45 56.56 2g50 n PHE 191 Cb 0.52 0.00 -0.17 0.00 1.52 0.00 0.00 39.48 41.35 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 -1.65 0.67 -0.25 5.98 1.43 0.98 -5.00 118.68 120.85 2g50 s LEU 192 Ca 0.00 -0.02 -0.17 0.00 -1.03 0.00 0.00 54.13 52.91 2g50 s LEU 192 Cb 0.00 -0.29 -0.03 0.00 0.03 0.00 0.00 46.19 45.90 2g50 s LEU 192 CO 0.00 -0.18 0.45 0.54 0.23 0.00 0.00 176.35 177.39 2g50 s VAL 193 N 1.69 5.13 0.40 -1.59 0.11 -1.01 0.16 120.40 125.30 2g50 s VAL 193 Ca -0.00 0.76 0.06 0.00 -2.93 0.00 0.00 61.98 59.86 2g50 s VAL 193 Cb -0.13 -3.77 -0.07 0.00 -1.53 0.00 0.00 36.38 30.88 2g50 s VAL 193 CO -0.03 0.15 0.02 0.42 -3.33 0.00 0.00 175.10 172.32 2g50 s THR 194 N 1.99 1.78 -0.09 5.04 -4.23 0.19 -0.94 115.64 119.39 2g50 s THR 194 Ca 0.19 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.75 2g50 s THR 194 Cb -0.15 -2.89 -0.01 0.00 1.34 0.00 0.00 72.50 70.79 2g50 s THR 194 CO 0.09 0.00 -0.24 -0.70 -0.54 0.00 0.00 174.62 173.24 2g50 s GLU 195 N -3.75 2.87 -0.18 3.99 2.12 -0.68 -0.80 118.70 122.27 2g50 s GLU 195 Ca 0.33 -0.88 -0.29 0.00 0.36 0.00 0.00 54.97 54.49 2g50 s GLU 195 Cb 0.09 -2.27 -0.02 0.00 0.26 0.00 0.00 34.13 32.19 2g50 s GLU 195 CO 0.16 0.26 1.36 0.08 -0.54 0.00 0.00 175.26 176.59 2g50 s VAL 196 N 0.14 4.10 0.00 3.70 1.01 0.23 -1.96 120.40 127.62 2g50 s VAL 196 Ca -0.12 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.17 2g50 s VAL 196 Cb -0.16 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.30 2g50 s VAL 196 CO 0.07 -0.20 0.00 -0.62 0.00 0.00 0.00 175.10 174.35 2g50 n GLU 197 N 6.91 0.00 -3.10 2.72 1.02 0.36 0.83 120.64 129.37 2g50 n GLU 197 Ca 0.15 0.04 -0.39 0.00 -0.02 0.00 0.00 57.16 56.94 2g50 n GLU 197 Cb 0.45 -0.29 -0.05 0.00 -0.02 0.00 0.00 31.44 31.52 2g50 n GLU 197 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2g50 s ASN 198 N -1.60 6.90 0.50 1.62 0.01 -1.20 -4.43 114.94 116.74 2g50 s ASN 198 Ca 0.00 1.08 0.05 0.00 -0.71 0.00 0.00 52.86 53.29 2g50 s ASN 198 Cb 0.00 -2.38 0.01 0.00 0.41 0.00 0.00 41.25 39.29 2g50 s ASN 198 CO 0.00 -0.12 0.31 -0.83 -1.51 0.00 0.00 177.10 174.95 2g50 s GLY 199 N 0.81 2.43 0.00 0.66 0.00 -1.26 -1.92 107.32 108.04 2g50 s GLY 199 Ca 0.34 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.71 2g50 s GLY 199 CO 0.16 -1.95 0.00 0.61 0.00 0.00 0.00 173.10 171.92 2g50 n GLY 200 N -1.58 -2.20 3.55 0.20 0.00 -0.94 -4.83 105.19 99.38 2g50 n GLY 200 Ca -0.03 -1.22 -0.39 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.24 1.80 -0.11 1.61 0.08 -1.26 -1.78 117.98 116.08 2g50 s PHE 201 Ca 0.00 0.59 -0.24 0.00 0.12 0.00 0.00 56.93 57.40 2g50 s PHE 201 Cb 0.00 -4.21 -0.03 0.00 -0.57 0.00 0.00 43.02 38.21 2g50 s PHE 201 CO 0.00 -2.25 0.76 -1.17 -0.10 0.00 0.00 175.22 172.46 2g50 s LEU 202 N 8.34 4.25 0.00 -0.37 0.20 0.74 -4.82 118.68 127.02 2g50 s LEU 202 Ca 0.60 1.18 0.00 0.00 0.69 0.00 0.00 54.13 56.60 2g50 s LEU 202 Cb -0.11 -3.15 0.00 0.00 -0.43 0.00 0.00 46.19 42.49 2g50 s LEU 202 CO 0.19 -0.24 0.00 0.61 -0.29 0.00 0.00 176.35 176.62 2g50 n GLY 203 N 3.28 2.44 3.90 7.98 0.00 -1.26 0.35 105.19 121.88 2g50 n GLY 203 Ca 0.01 -2.00 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.80 6.42 -1.32 1.61 0.01 -1.26 -4.61 113.70 113.74 2g50 s SER 204 Ca 0.00 0.41 -0.00 0.00 1.31 0.00 0.00 55.95 57.67 2g50 s SER 204 Cb 0.00 -2.02 -0.00 0.00 0.21 0.00 0.00 66.02 64.21 2g50 s SER 204 CO 0.00 0.20 0.65 0.29 0.41 0.00 0.00 173.24 174.79 2g50 n LYS 205 N 0.66 -4.62 -3.15 12.44 5.02 -0.33 -4.98 118.16 123.21 2g50 n LYS 205 Ca -0.08 0.59 -0.29 0.00 -2.02 0.00 0.00 58.31 56.51 2g50 n LYS 205 Cb 0.52 -5.07 -0.03 0.00 -0.02 0.00 0.00 35.03 30.43 2g50 n LYS 205 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2g50 s LYS 206 N -6.06 3.67 0.38 1.97 -0.14 -1.26 -4.73 119.74 113.57 2g50 s LYS 206 Ca 0.00 0.15 -0.25 0.00 -1.36 0.00 0.00 55.97 54.51 2g50 s LYS 206 Cb -0.00 -2.55 -0.09 0.00 -1.68 0.00 0.00 37.83 33.51 2g50 s LYS 206 CO 0.82 0.11 1.08 0.20 -0.76 0.00 0.00 175.35 176.80 2g50 s GLY 207 N -3.25 2.82 -0.09 -3.33 0.00 -1.26 -1.71 107.32 100.49 2g50 s GLY 207 Ca 0.46 0.78 0.03 0.00 0.00 0.00 0.00 44.72 46.00 2g50 s GLY 207 CO 0.31 1.26 -0.20 0.14 0.00 0.00 0.00 173.10 174.61 2g50 s VAL 208 N -1.53 1.76 -0.04 1.40 1.01 -0.01 -1.14 120.40 121.85 2g50 s VAL 208 Ca 0.56 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.75 2g50 s VAL 208 Cb -0.25 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 2g50 s VAL 208 CO 0.32 0.49 -0.20 0.20 0.00 0.00 0.00 175.10 175.91 2g50 s ASN 209 N 0.44 3.57 -0.67 3.32 0.01 -0.08 -4.30 114.94 117.23 2g50 s ASN 209 Ca -0.18 -0.33 0.05 0.00 -0.71 0.00 0.00 52.86 51.69 2g50 s ASN 209 Cb -0.17 -0.68 0.19 0.00 0.41 0.00 0.00 41.25 41.00 2g50 s ASN 209 CO 0.07 0.32 0.55 0.18 -1.51 0.00 0.00 177.10 176.71 2g50 n LEU 210 N 2.46 2.92 -4.76 0.60 4.77 -1.26 -0.89 117.00 120.84 2g50 n LEU 210 Ca -0.17 -5.21 -0.41 0.00 -0.03 0.00 0.00 56.01 50.20 2g50 n LEU 210 Cb 0.52 -0.62 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 2g50 n LEU 210 CO 0.25 1.84 1.05 -2.84 -1.33 0.00 0.00 177.39 176.36 2g50 s PRO 211 N -1.62 4.29 0.00 3.23 0.02 -1.26 -2.47 135.00 137.19 2g50 s PRO 211 Ca 0.29 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.60 2g50 s PRO 211 Cb 0.01 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.46 2g50 s PRO 211 CO -0.13 -0.32 0.00 0.41 -0.33 0.00 0.00 177.00 176.63 2g50 n GLY 212 N 1.31 2.81 3.77 0.52 0.00 -1.26 -4.77 105.19 107.57 2g50 n GLY 212 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.82 3.27 -1.23 4.61 0.00 -1.03 -4.99 121.76 120.58 2g50 s ALA 213 Ca 0.00 0.64 -0.12 0.00 0.00 0.00 0.00 51.96 52.47 2g50 s ALA 213 Cb 0.00 -3.23 0.17 0.00 0.00 0.00 0.00 23.12 20.07 2g50 s ALA 213 CO 0.00 0.09 1.55 0.00 0.00 0.00 0.00 175.76 177.40 2g50 n ALA 214 N 0.93 4.29 -1.70 0.00 0.00 -1.26 -4.99 120.51 117.78 2g50 n ALA 214 Ca 0.00 -4.28 -0.42 0.00 0.00 0.00 0.00 53.44 48.75 2g50 n ALA 214 Cb 0.48 -3.02 -0.03 0.00 0.00 0.00 0.00 19.45 16.88 2g50 n ALA 214 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2g50 s VAL 215 N 1.17 2.76 -0.25 0.00 1.01 -1.26 -4.90 120.40 118.94 2g50 s VAL 215 Ca 0.42 0.04 0.14 0.00 0.00 0.00 0.00 61.98 62.57 2g50 s VAL 215 Cb 0.00 -3.03 0.73 0.00 0.00 0.00 0.00 36.38 34.09 2g50 s VAL 215 CO 0.00 -0.00 1.69 -0.90 0.00 0.00 0.00 175.10 175.89 2g50 n ASP 216 N 6.56 5.03 -4.75 3.32 5.75 -1.26 -4.97 116.55 126.23 2g50 n ASP 216 Ca 0.19 -3.05 -0.35 0.00 -0.01 0.00 0.00 54.79 51.56 2g50 n ASP 216 Cb 0.40 -0.67 0.05 0.00 -1.03 0.00 0.00 41.12 39.86 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 -2.86 3.57 0.50 -2.12 1.43 -1.26 -4.98 118.68 112.96 2g50 s LEU 217 Ca 0.52 2.33 -0.21 0.00 -1.03 0.00 0.00 54.13 55.73 2g50 s LEU 217 Cb 0.41 -4.59 -0.07 0.00 0.03 0.00 0.00 46.19 41.97 2g50 s LEU 217 CO 0.13 -1.71 1.14 -2.16 0.23 0.00 0.00 176.35 173.98 2g50 s PRO 218 N -3.53 3.57 0.33 1.29 0.04 -1.26 -4.91 135.00 130.53 2g50 s PRO 218 Ca 0.75 1.67 0.04 0.00 0.04 0.00 0.00 61.00 63.50 2g50 s PRO 218 Cb -0.29 -2.19 0.59 0.00 0.04 0.00 0.00 34.50 32.65 2g50 s PRO 218 CO 0.36 -0.68 1.86 0.00 0.04 0.00 0.00 177.00 178.58 2g50 h ALA 219 N 1.61 1.35 -3.32 8.56 0.00 -1.94 -3.37 119.26 122.15 2g50 h ALA 219 Ca -0.50 -0.22 -0.59 0.00 0.00 0.00 0.00 54.91 53.61 2g50 h ALA 219 Cb 1.25 -0.14 -0.40 0.00 0.00 0.00 0.00 17.79 18.50 2g50 h ALA 219 CO 0.59 0.45 -0.76 0.08 0.00 0.00 0.00 179.25 179.60 2g50 s VAL 220 N -4.90 1.11 0.84 0.00 1.01 -1.26 -4.47 120.40 112.72 2g50 s VAL 220 Ca -0.07 -1.37 -0.12 0.00 0.00 0.00 0.00 61.98 60.42 2g50 s VAL 220 Cb 0.15 -1.72 0.11 0.00 0.00 0.00 0.00 36.38 34.92 2g50 s VAL 220 CO 0.77 -0.51 1.20 -0.94 0.00 0.00 0.00 175.10 175.62 2g50 s SER 221 N 1.53 4.13 0.33 3.32 1.04 -1.26 -4.83 113.70 117.95 2g50 s SER 221 Ca 0.06 0.57 0.00 0.00 0.48 0.00 0.00 55.95 57.06 2g50 s SER 221 Cb -0.18 -0.94 0.54 0.00 0.10 0.00 0.00 66.02 65.54 2g50 s SER 221 CO -0.18 -2.11 1.99 -0.08 0.98 0.00 0.00 173.24 173.84 2g50 h GLU 222 N -1.17 0.95 -0.36 4.02 4.57 -1.99 0.32 114.58 120.92 2g50 h GLU 222 Ca -0.45 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 57.64 2g50 h GLU 222 Cb 1.30 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 29.66 2g50 h GLU 222 CO 0.57 0.63 0.13 -0.22 -1.18 0.00 0.00 179.01 178.93 2g50 h LYS 223 N 0.97 0.56 -0.88 1.92 3.11 -2.00 -1.81 116.57 118.44 2g50 h LYS 223 Ca 0.26 -0.11 -0.00 0.00 -2.81 0.00 0.00 60.65 57.99 2g50 h LYS 223 Cb -0.10 -0.08 -0.04 0.00 -1.00 0.00 0.00 32.23 31.00 2g50 h LYS 223 CO -0.06 0.56 0.55 -0.44 -2.81 0.00 0.00 179.45 177.25 2g50 h ASP 224 N 0.44 1.04 -0.36 4.20 3.32 -1.74 -0.83 116.42 122.49 2g50 h ASP 224 Ca 0.12 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.13 2g50 h ASP 224 Cb 0.23 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2g50 h ASP 224 CO -0.01 0.79 0.22 0.40 -1.72 0.00 0.00 179.24 178.92 2g50 h ILE 225 N 1.21 1.04 -0.96 0.35 2.04 -0.70 0.14 117.51 120.63 2g50 h ILE 225 Ca 0.32 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 66.03 2g50 h ILE 225 Cb -0.08 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 2g50 h ILE 225 CO -0.06 0.08 0.62 1.56 0.00 0.00 0.00 178.15 180.35 2g50 h GLN 226 N 0.44 1.28 -0.41 2.37 4.20 -0.96 -1.89 115.11 120.13 2g50 h GLN 226 Ca 0.14 -0.09 -0.13 0.00 0.06 0.00 0.00 58.65 58.63 2g50 h GLN 226 Cb -0.00 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.48 2g50 h GLN 226 CO -0.06 0.86 -0.27 -0.44 -0.67 0.00 0.00 178.83 178.24 2g50 h ASP 227 N 1.31 0.91 -0.46 1.46 3.32 -0.52 -1.95 116.42 120.50 2g50 h ASP 227 Ca 0.35 -0.36 -0.14 0.00 0.02 0.00 0.00 57.03 56.90 2g50 h ASP 227 Cb -0.12 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.16 2g50 h ASP 227 CO -0.07 1.13 -0.25 -0.07 -1.72 0.00 0.00 179.24 178.25 2g50 h LEU 228 N 0.75 1.02 -0.79 1.55 3.38 -0.54 -0.47 115.31 120.20 2g50 h LEU 228 Ca 0.09 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 2g50 h LEU 228 Cb 0.83 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 2g50 h LEU 228 CO 0.07 1.20 0.37 0.11 0.09 0.00 0.00 178.44 180.29 2g50 h LYS 229 N 0.84 1.15 -0.56 1.13 1.79 -1.32 -1.57 116.57 118.03 2g50 h LYS 229 Ca 0.10 -0.17 0.02 0.00 -2.18 0.00 0.00 60.65 58.41 2g50 h LYS 229 Cb 0.84 -0.20 -0.03 0.00 -1.58 0.00 0.00 32.23 31.25 2g50 h LYS 229 CO 0.07 0.90 0.35 0.35 -1.08 0.00 0.00 179.45 180.04 2g50 h PHE 230 N 1.13 0.66 -0.97 -1.35 3.57 -1.11 -1.40 116.94 117.46 2g50 h PHE 230 Ca 0.27 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.81 2g50 h PHE 230 Cb 0.13 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 38.60 2g50 h PHE 230 CO 0.01 0.39 0.64 0.78 -2.23 0.00 0.00 178.31 177.91 2g50 h GLY 231 N 0.70 1.40 0.89 2.40 0.00 -0.63 0.95 103.07 108.78 2g50 h GLY 231 Ca 0.22 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 2g50 h GLY 231 CO -0.08 0.45 0.08 -2.08 0.00 0.00 0.00 176.54 174.92 2g50 h VAL 232 N 1.27 1.19 -0.45 4.60 2.07 -0.87 -1.73 116.25 122.33 2g50 h VAL 232 Ca 0.37 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 2g50 h VAL 232 Cb -0.06 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2g50 h VAL 232 CO -0.10 0.20 0.22 -0.33 0.02 0.00 0.00 177.57 177.57 2g50 h GLU 233 N 0.25 0.62 -0.01 1.57 5.08 -0.65 -2.47 114.58 118.96 2g50 h GLU 233 Ca 0.08 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2g50 h GLU 233 Cb 0.22 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2g50 h GLU 233 CO -0.00 0.49 0.00 1.04 -1.00 0.00 0.00 179.01 179.53 2g50 n GLN 234 N -4.40 1.51 -3.47 2.33 1.13 0.27 -4.95 117.38 109.80 2g50 n GLN 234 Ca 0.03 -0.74 -0.21 0.00 -1.94 0.00 0.00 57.00 54.15 2g50 n GLN 234 Cb 0.12 -1.48 0.07 0.00 0.11 0.00 0.00 30.24 29.06 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 -0.10 -5.82 -4.73 1.08 2.03 -0.73 -4.98 116.55 103.29 2g50 n ASP 235 Ca 0.20 -0.48 -0.33 0.00 0.52 0.00 0.00 54.79 54.70 2g50 n ASP 235 Cb 0.30 -4.55 0.09 0.00 -0.72 0.00 0.00 41.12 36.24 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 2.66 -0.09 5.18 -7.23 -0.74 -4.96 120.40 111.94 2g50 s VAL 236 Ca 0.51 0.29 0.15 0.00 -1.81 0.00 0.00 61.98 61.12 2g50 s VAL 236 Cb -0.23 -2.75 -0.17 0.00 0.56 0.00 0.00 36.38 33.79 2g50 s VAL 236 CO 0.65 -0.21 0.77 0.44 -0.31 0.00 0.00 175.10 176.44 2g50 h ASP 237 N -0.55 0.00 -5.00 4.85 3.32 -1.39 -3.46 116.42 114.19 2g50 h ASP 237 Ca -0.46 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.53 2g50 h ASP 237 Cb 1.27 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.65 2g50 h ASP 237 CO 0.50 0.76 0.12 0.00 -1.72 0.00 0.00 179.24 178.89 2g50 s MET 238 N -2.79 1.06 -0.10 3.56 0.23 -1.17 -2.02 119.30 118.07 2g50 s MET 238 Ca -0.04 -0.02 0.03 0.00 -1.03 0.00 0.00 55.69 54.63 2g50 s MET 238 Cb 0.08 0.49 -0.01 0.00 -1.53 0.00 0.00 34.83 33.86 2g50 s MET 238 CO 0.82 -0.36 -0.19 0.08 -2.03 0.00 0.00 175.02 173.34 2g50 s VAL 239 N -1.92 2.58 -0.48 5.16 1.01 0.23 -1.59 120.40 125.39 2g50 s VAL 239 Ca -0.08 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 60.89 2g50 s VAL 239 Cb -0.01 -2.02 0.08 0.00 0.00 0.00 0.00 36.38 34.43 2g50 s VAL 239 CO 0.03 0.55 0.43 -0.36 0.00 0.00 0.00 175.10 175.75 2g50 s PHE 240 N 0.12 3.22 -0.32 5.22 0.08 0.89 -0.54 117.98 126.66 2g50 s PHE 240 Ca -0.09 -0.92 -0.23 0.00 0.12 0.00 0.00 56.93 55.81 2g50 s PHE 240 Cb -0.15 -3.27 0.00 0.00 -0.57 0.00 0.00 43.02 39.03 2g50 s PHE 240 CO 0.06 -0.84 0.76 0.00 -0.10 0.00 0.00 175.22 175.09 2g50 s ALA 241 N 1.74 3.51 0.35 5.36 0.00 0.08 -1.43 121.76 131.38 2g50 s ALA 241 Ca 0.05 -0.50 -0.26 0.00 0.00 0.00 0.00 51.96 51.24 2g50 s ALA 241 Cb -0.24 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.51 2g50 s ALA 241 CO 0.07 -1.22 1.08 -1.12 0.00 0.00 0.00 175.76 174.56 2g50 s SER 242 N 1.66 6.96 -1.39 0.00 0.01 -1.26 -1.16 113.70 118.51 2g50 s SER 242 Ca 0.31 2.15 -0.10 0.00 1.31 0.00 0.00 55.95 59.62 2g50 s SER 242 Cb -0.14 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.51 2g50 s SER 242 CO 0.13 -0.36 1.14 0.49 0.41 0.00 0.00 173.24 175.05 2g50 n PHE 243 N 0.47 -2.74 -2.12 2.43 3.72 -1.24 -4.68 117.46 113.30 2g50 n PHE 243 Ca 0.02 0.99 -0.42 0.00 -0.05 0.00 0.00 57.45 57.99 2g50 n PHE 243 Cb 0.47 -4.82 -0.03 0.00 -0.94 0.00 0.00 39.48 34.17 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 -3.32 3.58 -0.10 4.37 -1.09 -1.03 -4.90 121.20 118.71 2g50 s ILE 244 Ca 0.58 0.90 0.13 0.00 -2.23 0.00 0.00 60.65 60.03 2g50 s ILE 244 Cb -0.27 -3.58 -0.19 0.00 -1.58 0.00 0.00 42.46 36.85 2g50 s ILE 244 CO 0.75 -0.03 0.32 0.54 -1.23 0.00 0.00 174.94 175.29 2g50 n ARG 245 N 6.00 0.74 -3.54 2.79 1.74 -1.26 -4.25 116.66 118.88 2g50 n ARG 245 Ca 0.15 -0.10 -0.08 0.00 -0.77 0.00 0.00 57.85 57.05 2g50 n ARG 245 Cb 0.43 -1.28 -0.02 0.00 -1.02 0.00 0.00 32.46 30.57 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 -2.80 0.87 0.30 5.56 -2.85 -1.26 -4.10 119.74 115.46 2g50 s LYS 246 Ca -0.03 -0.35 0.02 0.00 -1.00 0.00 0.00 55.97 54.60 2g50 s LYS 246 Cb 0.08 0.38 0.56 0.00 -2.06 0.00 0.00 37.83 36.80 2g50 s LYS 246 CO 0.53 -0.38 1.89 0.00 0.10 0.00 0.00 175.35 177.49 2g50 h ALA 247 N 2.00 1.55 -0.68 0.59 0.00 -1.87 -1.64 119.26 119.20 2g50 h ALA 247 Ca -0.22 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 54.82 2g50 h ALA 247 Cb 1.24 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 2g50 h ALA 247 CO 0.30 0.27 0.47 0.00 0.00 0.00 0.00 179.25 180.29 2g50 h ALA 248 N 1.52 2.21 -0.45 0.00 0.00 -1.96 -1.03 119.26 119.55 2g50 h ALA 248 Ca 0.43 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.24 2g50 h ALA 248 Cb 0.33 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2g50 h ALA 248 CO -0.18 -0.40 -0.07 -0.44 0.00 0.00 0.00 179.25 178.16 2g50 h ASP 249 N 0.30 0.83 -0.40 0.00 3.32 -1.71 -2.04 116.42 116.72 2g50 h ASP 249 Ca 0.33 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 2g50 h ASP 249 Cb 0.87 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 2g50 h ASP 249 CO -0.08 0.98 0.17 0.58 -1.72 0.00 0.00 179.24 179.17 2g50 h VAL 250 N 0.67 1.19 -0.61 -1.35 2.07 -1.24 -2.49 116.25 114.49 2g50 h VAL 250 Ca 0.12 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 67.09 2g50 h VAL 250 Cb 0.59 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 2g50 h VAL 250 CO 0.04 0.21 0.41 0.45 0.02 0.00 0.00 177.57 178.69 2g50 h HIS 251 N 0.51 0.74 -0.38 1.57 3.86 -1.19 -0.73 115.15 119.53 2g50 h HIS 251 Ca 0.14 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.31 2g50 h HIS 251 Cb 0.17 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 2g50 h HIS 251 CO -0.00 0.45 0.03 1.49 0.86 0.00 0.00 177.93 180.76 2g50 h GLU 252 N 0.78 0.65 -0.51 2.45 4.57 -1.09 -0.35 114.58 121.08 2g50 h GLU 252 Ca 0.23 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 2g50 h GLU 252 Cb -0.02 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 2g50 h GLU 252 CO -0.06 0.73 0.27 0.28 -1.18 0.00 0.00 179.01 179.05 2g50 h VAL 253 N 0.48 1.18 -0.88 0.32 2.07 -0.99 -1.70 116.25 116.73 2g50 h VAL 253 Ca 0.11 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.18 2g50 h VAL 253 Cb 0.41 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 2g50 h VAL 253 CO 0.01 0.20 0.57 -0.09 0.02 0.00 0.00 177.57 178.28 2g50 h ARG 254 N 0.68 1.10 -0.58 1.57 9.65 -0.98 -1.51 114.38 124.31 2g50 h ARG 254 Ca 0.18 -0.07 -0.11 0.00 -1.10 0.00 0.00 59.98 58.89 2g50 h ARG 254 Cb 0.07 -0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 28.38 2g50 h ARG 254 CO -0.03 0.73 -0.05 -0.22 2.80 0.00 0.00 179.97 183.20 2g50 h LYS 255 N 1.13 1.07 -0.31 0.20 3.64 -0.71 -0.54 116.57 121.04 2g50 h LYS 255 Ca 0.34 -0.36 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 2g50 h LYS 255 Cb -0.03 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2g50 h LYS 255 CO -0.11 1.07 0.03 0.82 -2.27 0.00 0.00 179.45 178.99 2g50 h ILE 256 N 0.96 1.24 -0.71 2.00 1.08 -0.99 -2.57 117.51 118.53 2g50 h ILE 256 Ca 0.16 -0.86 0.02 0.00 -0.39 0.00 0.00 64.86 63.79 2g50 h ILE 256 Cb 0.62 1.20 -0.04 0.00 -3.07 0.00 0.00 36.82 35.53 2g50 h ILE 256 CO 0.04 0.28 0.47 -0.07 -0.69 0.00 0.00 178.15 178.18 2g50 h LEU 257 N 0.35 0.78 0.00 1.44 3.38 -1.18 -3.47 115.31 116.61 2g50 h LEU 257 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2g50 h LEU 257 Cb 0.38 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2g50 h LEU 257 CO 0.01 0.55 0.00 0.61 0.09 0.00 0.00 178.44 179.70 2g50 n GLY 258 N -1.43 0.87 0.08 0.83 0.00 -0.22 -1.23 105.19 104.09 2g50 n GLY 258 Ca 0.08 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 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 0.15 -0.44 1.61 4.57 -1.88 -1.95 114.58 116.64 2g50 h GLU 259 Ca 0.00 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 2g50 h GLU 259 Cb 0.00 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 2g50 h GLU 259 CO 0.00 0.37 0.25 0.87 -1.18 0.00 0.00 179.01 179.31 2g50 h LYS 260 N -0.09 0.59 -0.63 1.92 1.57 -1.97 -2.70 116.57 115.26 2g50 h LYS 260 Ca 0.03 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2g50 h LYS 260 Cb 0.29 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2g50 h LYS 260 CO 0.00 0.43 0.00 0.41 -0.57 0.00 0.00 179.45 179.72 2g50 n GLY 261 N -1.36 2.77 0.28 3.86 0.00 -0.37 -4.65 105.19 105.72 2g50 n GLY 261 Ca 0.03 -0.86 0.15 0.00 0.00 0.00 0.00 46.02 45.35 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 3.93 0.00 -0.09 1.61 2.10 -1.01 -1.93 116.57 121.18 2g50 h LYS 262 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2g50 h LYS 262 Cb 1.67 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.00 2g50 h LYS 262 CO 0.35 0.07 0.00 0.09 -2.00 0.00 0.00 179.45 177.96 2g50 n ASN 263 N -3.55 2.56 -4.71 7.07 5.03 -1.26 -4.88 115.26 115.52 2g50 n ASN 263 Ca -0.02 -1.84 -0.42 0.00 0.87 0.00 0.00 54.58 53.17 2g50 n ASN 263 Cb 0.18 -0.05 -0.03 0.00 -1.02 0.00 0.00 39.78 38.87 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 -1.91 4.49 0.13 2.41 1.01 -0.73 -4.98 121.20 121.63 2g50 s ILE 264 Ca 0.33 1.79 -0.30 0.00 0.00 0.00 0.00 60.65 62.47 2g50 s ILE 264 Cb 0.20 -4.15 -0.06 0.00 0.01 0.00 0.00 42.46 38.46 2g50 s ILE 264 CO 0.31 0.11 0.99 -0.54 0.00 0.00 0.00 174.94 175.80 2g50 s LYS 265 N 1.27 4.69 -0.31 2.79 -0.14 -0.85 -4.89 119.74 122.31 2g50 s LYS 265 Ca 0.54 1.50 -0.10 0.00 -1.36 0.00 0.00 55.97 56.56 2g50 s LYS 265 Cb -0.24 -3.35 -0.01 0.00 -1.68 0.00 0.00 37.83 32.54 2g50 s LYS 265 CO 0.27 0.21 0.16 0.42 -0.76 0.00 0.00 175.35 175.65 2g50 s ILE 266 N -0.12 4.76 -0.31 2.17 1.01 -1.26 -0.60 121.20 126.85 2g50 s ILE 266 Ca 0.47 -0.31 -0.09 0.00 0.00 0.00 0.00 60.65 60.71 2g50 s ILE 266 Cb -0.25 -3.40 -0.00 0.00 0.01 0.00 0.00 42.46 38.82 2g50 s ILE 266 CO 0.31 0.09 0.15 -0.63 0.00 0.00 0.00 174.94 174.86 2g50 s ILE 267 N 1.65 4.52 -0.07 2.92 -1.09 0.30 -0.92 121.20 128.51 2g50 s ILE 267 Ca 0.05 -0.48 -0.24 0.00 -2.23 0.00 0.00 60.65 57.75 2g50 s ILE 267 Cb -0.17 -3.32 -0.03 0.00 -1.58 0.00 0.00 42.46 37.35 2g50 s ILE 267 CO 0.07 0.05 0.73 -0.44 -1.23 0.00 0.00 174.94 174.13 2g50 s SER 268 N 1.60 7.01 -0.24 3.58 0.01 -0.45 -0.74 113.70 124.47 2g50 s SER 268 Ca 0.04 1.22 -0.21 0.00 1.31 0.00 0.00 55.95 58.32 2g50 s SER 268 Cb -0.17 -2.43 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 2g50 s SER 268 CO 0.06 -0.15 0.64 -0.54 0.41 0.00 0.00 173.24 173.66 2g50 s LYS 269 N 0.93 4.13 -0.39 12.44 1.02 -0.31 -0.90 119.74 136.66 2g50 s LYS 269 Ca 0.39 0.58 -0.19 0.00 0.02 0.00 0.00 55.97 56.76 2g50 s LYS 269 Cb -0.18 -3.64 0.01 0.00 -0.52 0.00 0.00 37.83 33.50 2g50 s LYS 269 CO 0.18 -0.38 0.58 0.42 -0.92 0.00 0.00 175.35 175.23 2g50 s ILE 270 N 2.41 4.93 0.00 2.17 -1.09 -0.32 -2.47 121.20 126.82 2g50 s ILE 270 Ca 0.27 0.25 0.01 0.00 -2.23 0.00 0.00 60.65 58.95 2g50 s ILE 270 Cb -0.16 -4.08 0.02 0.00 -1.58 0.00 0.00 42.46 36.67 2g50 s ILE 270 CO 0.09 -0.39 0.90 -1.84 -1.23 0.00 0.00 174.94 172.46 2g50 n GLU 271 N 5.97 0.00 -4.05 2.79 0.28 -1.26 -2.03 120.64 122.34 2g50 n GLU 271 Ca -0.03 -0.82 -0.11 0.00 -0.16 0.00 0.00 57.16 56.04 2g50 n GLU 271 Cb 0.48 -0.34 -0.06 0.00 1.43 0.00 0.00 31.44 32.95 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 -0.82 0.17 0.19 -1.84 2.20 -1.26 -3.19 114.94 110.38 2g50 s ASN 272 Ca 0.02 -1.13 -0.11 0.00 -0.94 0.00 0.00 52.86 50.69 2g50 s ASN 272 Cb 0.02 0.57 0.11 0.00 -2.00 0.00 0.00 41.25 39.96 2g50 s ASN 272 CO -0.01 -1.14 1.80 -0.74 -2.94 0.00 0.00 177.10 174.08 2g50 h HIS 273 N 2.28 0.93 -0.77 1.54 -0.00 -1.93 -2.70 115.15 114.50 2g50 h HIS 273 Ca -0.28 -0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.03 2g50 h HIS 273 Cb 1.25 -0.30 -0.04 0.00 -0.00 0.00 0.00 27.41 28.33 2g50 h HIS 273 CO 0.64 0.66 0.35 1.49 -0.00 0.00 0.00 177.93 181.08 2g50 h GLU 274 N 0.92 1.11 -0.67 5.26 4.81 -1.95 -0.76 114.58 123.29 2g50 h GLU 274 Ca 0.24 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2g50 h GLU 274 Cb 0.05 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 2g50 h GLU 274 CO -0.04 0.86 0.31 0.78 -0.73 0.00 0.00 179.01 180.20 2g50 h GLY 275 N 1.13 1.02 0.73 1.92 0.00 -1.64 0.13 103.07 106.36 2g50 h GLY 275 Ca 0.26 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 2g50 h GLY 275 CO -0.03 0.47 -0.06 -2.08 0.00 0.00 0.00 176.54 174.83 2g50 h VAL 276 N 0.95 1.32 -0.41 4.60 2.07 -1.15 -2.08 116.25 121.55 2g50 h VAL 276 Ca 0.23 -1.10 -0.05 0.00 0.82 0.00 0.00 66.70 66.60 2g50 h VAL 276 Cb 0.11 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 2g50 h VAL 276 CO -0.03 0.32 0.04 0.03 0.02 0.00 0.00 177.57 177.95 2g50 h ARG 277 N -0.07 0.64 -0.65 1.57 3.08 -0.85 -2.58 114.38 115.52 2g50 h ARG 277 Ca 0.03 -0.14 -0.14 0.00 0.07 0.00 0.00 59.98 59.80 2g50 h ARG 277 Cb 0.53 -0.09 -0.09 0.00 0.08 0.00 0.00 29.97 30.40 2g50 h ARG 277 CO 0.02 0.63 0.17 0.54 -1.07 0.00 0.00 179.97 180.26 2g50 n ARG 278 N -4.27 3.93 -0.25 0.04 1.74 0.42 -4.72 116.66 113.54 2g50 n ARG 278 Ca 0.02 -3.10 -0.01 0.00 -0.77 0.00 0.00 57.85 53.99 2g50 n ARG 278 Cb 0.24 -2.20 0.10 0.00 -1.02 0.00 0.00 32.46 29.59 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 2.91 0.77 -0.53 -1.55 3.57 -0.94 -2.76 116.94 118.40 2g50 h PHE 279 Ca 0.18 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.73 2g50 h PHE 279 Cb 2.17 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 40.63 2g50 h PHE 279 CO 1.18 0.38 0.31 -0.44 -2.23 0.00 0.00 178.31 177.51 2g50 h ASP 280 N 0.77 0.49 0.49 0.41 3.32 -1.85 0.65 116.42 120.71 2g50 h ASP 280 Ca 0.31 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.27 2g50 h ASP 280 Cb 0.16 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2g50 h ASP 280 CO -0.17 0.34 -0.50 1.05 -1.72 0.00 0.00 179.24 178.24 2g50 h GLU 281 N 0.61 0.01 -0.14 3.56 4.11 -1.90 -1.99 114.58 118.83 2g50 h GLU 281 Ca 0.22 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.61 2g50 h GLU 281 Cb 0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 2g50 h GLU 281 CO -0.11 0.51 -0.03 0.82 0.07 0.00 0.00 179.01 180.26 2g50 h ILE 282 N 0.01 1.29 -0.59 -1.06 2.04 -1.14 -2.58 117.51 115.48 2g50 h ILE 282 Ca -0.00 -0.98 0.05 0.00 1.00 0.00 0.00 64.86 64.92 2g50 h ILE 282 Cb 0.89 1.65 -0.05 0.00 -0.74 0.00 0.00 36.82 38.57 2g50 h ILE 282 CO 0.07 0.29 0.32 0.25 0.00 0.00 0.00 178.15 179.07 2g50 h LEU 283 N -0.03 0.47 -1.06 1.44 5.85 -0.69 -1.10 115.31 120.19 2g50 h LEU 283 Ca 0.04 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.81 2g50 h LEU 283 Cb 0.46 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 2g50 h LEU 283 CO 0.01 0.32 0.63 -0.08 -0.34 0.00 0.00 178.44 178.99 2g50 h GLU 284 N 0.61 1.20 0.00 1.25 4.22 -1.31 -2.49 114.58 118.07 2g50 h GLU 284 Ca 0.26 -0.07 -0.07 0.00 0.08 0.00 0.00 59.36 59.55 2g50 h GLU 284 Cb 0.15 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2g50 h GLU 284 CO -0.16 0.79 -0.35 0.00 -2.18 0.00 0.00 179.01 177.11 2g50 h ALA 285 N 1.43 0.80 -2.15 2.92 0.00 -1.02 -3.47 119.26 117.77 2g50 h ALA 285 Ca 0.38 -0.32 -0.46 0.00 0.00 0.00 0.00 54.91 54.50 2g50 h ALA 285 Cb -0.03 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.72 2g50 h ALA 285 CO -0.11 0.44 -0.24 -1.12 0.00 0.00 0.00 179.25 178.23 2g50 s SER 286 N -6.36 6.17 0.30 0.00 0.01 -0.46 -4.92 113.70 108.44 2g50 s SER 286 Ca 0.04 0.27 0.22 0.00 1.31 0.00 0.00 55.95 57.79 2g50 s SER 286 Cb 0.08 -1.81 0.14 0.00 0.21 0.00 0.00 66.02 64.63 2g50 s SER 286 CO 0.71 -0.34 1.29 0.44 0.41 0.00 0.00 173.24 175.75 2g50 h ASP 287 N 0.78 0.00 -2.15 2.44 3.45 -1.31 -3.48 116.42 116.16 2g50 h ASP 287 Ca -0.49 0.00 0.29 0.00 0.43 0.00 0.00 57.03 57.26 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 0.59 0.08 0.80 0.61 -1.57 0.00 0.00 179.24 179.75 2g50 n GLY 288 N 1.16 0.32 3.01 2.75 0.00 -1.12 -4.07 105.19 107.24 2g50 n GLY 288 Ca 0.01 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.03 0.41 -0.10 -0.61 -1.09 -0.09 -1.34 121.20 116.34 2g50 s ILE 289 Ca 0.27 -0.74 0.02 0.00 -2.23 0.00 0.00 60.65 57.98 2g50 s ILE 289 Cb -0.01 -0.44 -0.01 0.00 -1.58 0.00 0.00 42.46 40.41 2g50 s ILE 289 CO 0.01 -0.23 -0.17 -0.32 -1.23 0.00 0.00 174.94 173.00 2g50 s MET 290 N -1.04 3.09 -0.73 2.79 -2.45 -0.08 -0.70 119.30 120.19 2g50 s MET 290 Ca -0.07 -0.75 -0.24 0.00 -1.25 0.00 0.00 55.69 53.38 2g50 s MET 290 Cb -0.07 -2.47 0.06 0.00 1.25 0.00 0.00 34.83 33.60 2g50 s MET 290 CO 0.00 0.29 1.13 0.08 1.05 0.00 0.00 175.02 177.57 2g50 s VAL 291 N 0.13 4.07 -1.15 10.11 1.01 0.13 -1.17 120.40 133.52 2g50 s VAL 291 Ca -0.09 -0.13 -0.14 0.00 0.00 0.00 0.00 61.98 61.63 2g50 s VAL 291 Cb -0.15 -4.81 0.18 0.00 0.00 0.00 0.00 36.38 31.59 2g50 s VAL 291 CO 0.05 -1.66 1.35 0.00 0.00 0.00 0.00 175.10 174.84 2g50 s ALA 292 N 4.75 4.01 0.18 5.51 0.00 -0.86 -2.45 121.76 132.89 2g50 s ALA 292 Ca 0.29 -3.34 0.28 0.00 0.00 0.00 0.00 51.96 49.19 2g50 s ALA 292 Cb -0.12 -4.04 1.16 0.00 0.00 0.00 0.00 23.12 20.13 2g50 s ALA 292 CO 0.10 -2.73 1.92 0.00 0.00 0.00 0.00 175.76 175.05 2g50 h ARG 293 N 7.32 0.00 0.38 0.00 3.08 -1.82 -2.19 114.38 121.15 2g50 h ARG 293 Ca 0.28 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.31 2g50 h ARG 293 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 2g50 h ARG 293 CO 1.19 0.14 -0.18 0.78 -1.07 0.00 0.00 179.97 180.83 2g50 h GLY 294 N 1.84 -0.53 1.64 0.04 0.00 -1.87 -0.53 103.07 103.67 2g50 h GLY 294 Ca -0.00 0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.46 2g50 h GLY 294 CO 0.02 -0.19 -0.10 -0.55 0.00 0.00 0.00 176.54 175.71 2g50 h ASP 295 N -0.53 0.42 -0.79 0.19 3.32 -1.85 -2.98 116.42 114.19 2g50 h ASP 295 Ca -0.05 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 56.91 2g50 h ASP 295 Cb 0.39 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 2g50 h ASP 295 CO 0.08 0.56 0.52 0.25 -1.72 0.00 0.00 179.24 178.93 2g50 h LEU 296 N 0.41 0.90 0.00 1.55 5.85 -1.32 -0.67 115.31 122.03 2g50 h LEU 296 Ca 0.08 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2g50 h LEU 296 Cb 0.43 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2g50 h LEU 296 CO 0.02 0.65 0.00 0.61 -0.34 0.00 0.00 178.44 179.39 2g50 n GLY 297 N -1.31 -1.01 0.13 3.75 0.00 -0.22 -0.95 105.19 105.58 2g50 n GLY 297 Ca 0.08 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.28 1.52 -0.06 -0.61 5.41 -0.82 -3.78 119.36 119.75 2g50 n ILE 298 Ca 0.11 -0.59 -0.09 0.00 1.00 0.00 0.00 62.75 63.18 2g50 n ILE 298 Cb 0.17 -1.44 0.06 0.00 -0.71 0.00 0.00 39.64 37.73 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 0.01 0.73 -6.19 0.38 4.39 -0.84 -3.45 114.58 109.61 2g50 h GLU 299 Ca -0.56 -0.35 -0.61 0.00 0.34 0.00 0.00 59.36 58.18 2g50 h GLU 299 Cb 1.92 -0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 30.43 2g50 h GLU 299 CO -0.07 0.97 -0.75 0.96 -1.16 0.00 0.00 179.01 178.97 2g50 s ILE 300 N -4.39 2.53 0.12 3.13 -4.36 -0.12 -4.63 121.20 113.48 2g50 s ILE 300 Ca -0.09 -2.36 -0.36 0.00 -0.26 0.00 0.00 60.65 57.58 2g50 s ILE 300 Cb 0.12 -2.36 -0.16 0.00 1.25 0.00 0.00 42.46 41.31 2g50 s ILE 300 CO 0.84 -0.38 1.43 -2.65 0.24 0.00 0.00 174.94 174.42 2g50 n PRO 301 N -0.65 1.53 -0.11 0.37 -0.02 -1.26 -4.43 135.00 130.42 2g50 n PRO 301 Ca -0.05 0.55 0.12 0.00 -2.02 0.00 0.00 63.50 62.10 2g50 n PRO 301 Cb 0.60 -2.24 0.48 0.00 -0.02 0.00 0.00 33.50 32.32 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 5.06 1.99 0.00 3.55 0.00 -1.91 0.66 119.26 128.61 2g50 h ALA 302 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2g50 h ALA 302 Cb 1.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2g50 h ALA 302 CO 0.82 -0.14 0.00 -0.85 0.00 0.00 0.00 179.25 179.08 2g50 n GLU 303 N -4.47 0.00 0.00 0.00 0.00 -1.26 -2.22 120.64 112.69 2g50 n GLU 303 Ca 0.11 0.28 0.11 0.00 0.00 0.00 0.00 57.16 57.65 2g50 n GLU 303 Cb 0.38 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.27 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 -1.49 0.34 -0.34 3.44 5.02 0.22 -4.57 118.16 120.78 2g50 n LYS 304 Ca 0.03 -0.27 0.01 0.00 -2.02 0.00 0.00 58.31 56.06 2g50 n LYS 304 Cb 0.14 -1.49 0.15 0.00 -0.02 0.00 0.00 35.03 33.81 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 0.67 1.08 0.00 -0.18 2.07 -1.51 -1.56 116.25 116.82 2g50 h VAL 305 Ca 0.00 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 2g50 h VAL 305 Cb 0.57 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 2g50 h VAL 305 CO 0.00 0.20 -0.04 2.19 0.02 0.00 0.00 177.57 179.94 2g50 h PHE 306 N 1.09 0.00 -0.12 1.57 -0.00 -1.81 0.67 116.94 118.34 2g50 h PHE 306 Ca 0.40 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 58.33 2g50 h PHE 306 Cb 0.14 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.09 2g50 h PHE 306 CO -0.02 0.04 -0.08 -0.07 -0.00 0.00 0.00 178.31 178.19 2g50 h LEU 307 N 0.00 0.28 -0.60 2.10 3.38 -1.60 -1.14 115.31 117.73 2g50 h LEU 307 Ca -0.00 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 2g50 h LEU 307 Cb 0.09 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2g50 h LEU 307 CO 0.01 0.66 0.23 0.00 0.09 0.00 0.00 178.44 179.42 2g50 h ALA 308 N 0.63 0.79 -0.12 1.53 0.00 -1.20 -0.98 119.26 119.91 2g50 h ALA 308 Ca 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2g50 h ALA 308 Cb 0.56 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2g50 h ALA 308 CO 0.02 0.42 0.08 0.37 0.00 0.00 0.00 179.25 180.13 2g50 h GLN 309 N 0.84 0.15 -0.50 0.00 4.15 -0.81 -0.21 115.11 118.74 2g50 h GLN 309 Ca 0.20 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.48 2g50 h GLN 309 Cb 0.23 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 2g50 h GLN 309 CO -0.01 0.10 -0.18 0.87 -1.93 0.00 0.00 178.83 177.68 2g50 h LYS 310 N 0.16 1.00 -0.29 1.69 1.57 -1.11 -1.12 116.57 118.47 2g50 h LYS 310 Ca 0.04 -0.41 -0.00 0.00 -1.87 0.00 0.00 60.65 58.41 2g50 h LYS 310 Cb -0.02 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2g50 h LYS 310 CO -0.01 1.09 0.18 1.98 -0.57 0.00 0.00 179.45 182.12 2g50 h MET 311 N 0.86 0.40 -0.23 3.15 4.05 -1.04 -1.10 114.93 121.03 2g50 h MET 311 Ca 0.12 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.46 2g50 h MET 311 Cb 0.76 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.47 2g50 h MET 311 CO 0.06 0.31 -0.03 0.82 0.23 0.00 0.00 176.91 178.30 2g50 h ILE 312 N 0.37 1.27 -0.47 1.77 2.04 -0.91 -0.74 117.51 120.85 2g50 h ILE 312 Ca 0.11 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.99 2g50 h ILE 312 Cb 0.01 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 2g50 h ILE 312 CO -0.02 0.30 0.30 0.40 0.00 0.00 0.00 178.15 179.13 2g50 h ILE 313 N 0.17 1.13 -0.24 -0.67 2.04 -1.19 -0.17 117.51 118.58 2g50 h ILE 313 Ca 0.06 -0.25 0.04 0.00 1.00 0.00 0.00 64.86 65.70 2g50 h ILE 313 Cb 0.46 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 2g50 h ILE 313 CO 0.02 0.13 0.03 1.23 0.00 0.00 0.00 178.15 179.55 2g50 h GLY 314 N 0.63 0.25 1.55 5.37 0.00 -1.02 0.53 103.07 110.39 2g50 h GLY 314 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.38 2g50 h GLY 314 CO -0.04 -0.02 -0.37 3.21 0.00 0.00 0.00 176.54 179.32 2g50 h ARG 315 N 0.11 0.50 -0.41 4.80 3.08 -0.88 -1.27 114.38 120.31 2g50 h ARG 315 Ca 0.11 -0.24 -0.07 0.00 0.07 0.00 0.00 59.98 59.85 2g50 h ARG 315 Cb 0.12 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2g50 h ARG 315 CO -0.16 0.80 -0.02 0.00 -1.07 0.00 0.00 179.97 179.52 2g50 h ASN 317 N 0.57 0.64 -0.29 0.00 -0.26 -0.67 0.06 115.58 115.62 2g50 h ASN 317 Ca 0.11 0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.83 2g50 h ASN 317 Cb 0.51 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.64 2g50 h ASN 317 CO 0.02 0.42 0.06 -0.09 -1.06 0.00 0.00 177.43 176.78 2g50 h ARG 318 N 0.77 0.57 0.00 0.81 2.43 -1.08 -2.25 114.38 115.64 2g50 h ARG 318 Ca 0.30 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2g50 h ARG 318 Cb 0.13 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2g50 h ARG 318 CO -0.16 0.56 -0.39 0.00 -1.51 0.00 0.00 179.97 178.47 2g50 h ALA 319 N 1.51 0.74 -1.36 2.80 0.00 -0.80 -3.45 119.26 118.71 2g50 h ALA 319 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.83 2g50 h ALA 319 Cb 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2g50 h ALA 319 CO 0.00 0.00 -0.26 0.41 0.00 0.00 0.00 179.25 179.40 2g50 n GLY 320 N 1.32 0.10 3.70 0.00 0.00 -0.09 -5.04 105.19 105.18 2g50 n GLY 320 Ca 0.04 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 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 -4.30 3.17 0.30 1.61 1.02 -0.65 -4.94 119.74 115.95 2g50 s LYS 321 Ca 0.00 -0.37 -0.29 0.00 0.02 0.00 0.00 55.97 55.33 2g50 s LYS 321 Cb 0.00 -2.89 -0.13 0.00 -0.52 0.00 0.00 37.83 34.29 2g50 s LYS 321 CO 0.00 0.65 1.24 -2.30 -0.92 0.00 0.00 175.35 174.02 2g50 n PRO 322 N 2.32 1.87 -4.31 -1.68 -0.02 -1.26 -4.39 135.00 127.52 2g50 n PRO 322 Ca -0.19 0.66 -0.20 0.00 -2.02 0.00 0.00 63.50 61.75 2g50 n PRO 322 Cb 0.54 -2.20 -0.16 0.00 -0.02 0.00 0.00 33.50 31.66 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 -0.80 0.70 -0.16 -1.45 0.11 -1.26 -0.91 120.40 116.63 2g50 s VAL 323 Ca 0.60 -0.27 -0.03 0.00 -2.93 0.00 0.00 61.98 59.34 2g50 s VAL 323 Cb -0.63 -0.66 -0.03 0.00 -1.53 0.00 0.00 36.38 33.53 2g50 s VAL 323 CO 0.58 0.24 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.92 2g50 s ILE 324 N 0.49 3.82 -0.19 7.04 1.01 0.13 -0.97 121.20 132.52 2g50 s ILE 324 Ca -0.07 -0.38 -0.18 0.00 0.00 0.00 0.00 60.65 60.02 2g50 s ILE 324 Cb -0.11 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 2g50 s ILE 324 CO 0.01 0.49 0.47 0.00 0.00 0.00 0.00 174.94 175.91 2g50 s ALA 326 N 1.42 1.58 0.00 0.00 0.00 -1.02 -1.92 121.76 121.82 2g50 s ALA 326 Ca 0.23 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.92 2g50 s ALA 326 Cb -0.15 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.84 2g50 s ALA 326 CO 0.09 0.18 0.00 2.41 0.00 0.00 0.00 175.76 178.44 2g50 n THR 327 N 0.72 -1.04 -1.74 0.00 -1.04 -1.26 -3.36 114.28 106.56 2g50 n THR 327 Ca -0.17 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.67 2g50 n THR 327 Cb 0.56 -1.11 -0.05 0.00 -1.82 0.00 0.00 70.33 67.90 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 1.44 -1.23 -0.28 -2.82 6.02 -1.26 -4.79 117.38 114.46 2g50 n GLN 328 Ca 0.00 1.01 -0.06 0.00 -0.01 0.00 0.00 57.00 57.94 2g50 n GLN 328 Cb 0.00 -5.30 0.07 0.00 1.02 0.00 0.00 30.24 26.03 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 1.18 -0.57 -1.09 2.86 -1.89 -3.18 114.93 112.24 2g50 h MET 329 Ca -0.36 -0.23 -0.39 0.00 -2.06 0.00 0.00 59.70 56.66 2g50 h MET 329 Cb 1.16 -0.19 -0.40 0.00 0.06 0.00 0.00 31.60 32.24 2g50 h MET 329 CO 0.50 0.97 -0.94 1.28 1.06 0.00 0.00 176.91 179.78 2g50 n LEU 330 N -4.27 3.34 -0.34 1.22 4.77 -1.26 -4.55 117.00 115.91 2g50 n LEU 330 Ca 0.07 -3.92 0.12 0.00 -0.03 0.00 0.00 56.01 52.25 2g50 n LEU 330 Cb 0.20 0.01 0.31 0.00 -2.33 0.00 0.00 43.42 41.61 2g50 n LEU 330 CO 0.41 1.59 1.17 -0.08 -1.33 0.00 0.00 177.39 179.15 2g50 h GLU 331 N 2.29 0.69 0.00 3.23 4.57 -1.95 0.09 114.58 123.50 2g50 h GLU 331 Ca 0.13 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.26 2g50 h GLU 331 Cb 1.42 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.85 2g50 h GLU 331 CO 0.47 0.46 -0.01 0.66 -1.18 0.00 0.00 179.01 179.41 2g50 h SER 332 N 0.72 0.00 0.29 1.04 4.64 -1.93 -2.05 113.55 116.25 2g50 h SER 332 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 2g50 h SER 332 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 2g50 h SER 332 CO -0.39 0.01 0.00 0.23 -0.87 0.00 0.00 176.83 175.81 2g50 n MET 333 N -3.16 0.30 -0.21 4.77 2.81 0.02 -1.37 117.12 120.28 2g50 n MET 333 Ca -0.02 0.10 0.04 0.00 -1.81 0.00 0.00 57.70 56.01 2g50 n MET 333 Cb 0.17 -1.50 0.30 0.00 -0.71 0.00 0.00 33.22 31.48 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 1.09 0.00 2.02 2.04 -1.54 -3.34 117.51 117.78 2g50 h ILE 334 Ca 0.00 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 2g50 h ILE 334 Cb 0.14 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.35 2g50 h ILE 334 CO 0.00 0.16 -1.21 0.29 0.00 0.00 0.00 178.15 177.39 2g50 n LYS 335 N -4.46 0.44 -4.62 2.37 4.76 -0.88 -0.95 118.16 114.82 2g50 n LYS 335 Ca 0.10 -0.04 -0.30 0.00 -2.87 0.00 0.00 58.31 55.21 2g50 n LYS 335 Cb 0.15 -1.11 -0.13 0.00 -1.84 0.00 0.00 35.03 32.10 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 -2.29 1.71 0.00 1.97 1.02 -0.47 -4.95 119.74 116.73 2g50 s LYS 336 Ca -0.02 -1.18 0.25 0.00 0.02 0.00 0.00 55.97 55.05 2g50 s LYS 336 Cb 0.03 -2.00 1.10 0.00 -0.52 0.00 0.00 37.83 36.44 2g50 s LYS 336 CO 0.18 0.49 1.81 -0.35 -0.92 0.00 0.00 175.35 176.57 2g50 n PRO 337 N 1.32 0.06 -4.21 -1.68 -0.04 -1.26 -4.07 135.00 125.12 2g50 n PRO 337 Ca -0.17 0.07 -0.16 0.00 -0.04 0.00 0.00 63.50 63.19 2g50 n PRO 337 Cb 0.52 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.35 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 -2.93 0.64 0.74 0.54 0.52 -1.26 -4.93 118.95 112.27 2g50 s ARG 338 Ca 0.14 -0.56 -0.11 0.00 -0.52 0.00 0.00 55.73 54.68 2g50 s ARG 338 Cb 0.16 -0.56 0.04 0.00 0.52 0.00 0.00 34.95 35.12 2g50 s ARG 338 CO 0.44 0.14 1.12 -1.25 0.02 0.00 0.00 175.30 175.77 2g50 s PRO 339 N -0.92 2.45 0.82 3.54 0.04 -1.26 -4.66 135.00 135.02 2g50 s PRO 339 Ca -0.02 0.25 -0.12 0.00 0.04 0.00 0.00 61.00 61.16 2g50 s PRO 339 Cb -0.07 -2.01 0.09 0.00 0.04 0.00 0.00 34.50 32.55 2g50 s PRO 339 CO 0.00 -1.27 1.15 0.95 0.04 0.00 0.00 177.00 177.88 2g50 s THR 340 N -3.43 2.26 0.30 1.26 -4.23 -1.26 -4.90 115.64 105.64 2g50 s THR 340 Ca 0.60 0.08 0.05 0.00 -1.18 0.00 0.00 61.69 61.24 2g50 s THR 340 Cb -0.11 -3.00 0.08 0.00 1.34 0.00 0.00 72.50 70.81 2g50 s THR 340 CO 0.50 -0.11 1.76 0.03 -0.54 0.00 0.00 174.62 176.26 2g50 h ARG 341 N -1.13 0.39 -0.62 3.99 2.47 -2.00 -1.99 114.38 115.50 2g50 h ARG 341 Ca -0.47 -0.14 -0.05 0.00 -1.26 0.00 0.00 59.98 58.06 2g50 h ARG 341 Cb 1.32 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 29.58 2g50 h ARG 341 CO 0.64 0.62 0.18 0.00 0.56 0.00 0.00 179.97 181.97 2g50 h ALA 342 N 1.39 1.15 -0.36 0.04 0.00 -1.99 -1.99 119.26 117.50 2g50 h ALA 342 Ca 0.05 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 2g50 h ALA 342 Cb 0.63 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2g50 h ALA 342 CO 0.05 0.59 -0.24 0.93 0.00 0.00 0.00 179.25 180.57 2g50 h GLU 343 N 0.92 0.80 -0.52 0.00 5.08 -1.69 0.29 114.58 119.47 2g50 h GLU 343 Ca 0.20 -0.38 0.04 0.00 -1.00 0.00 0.00 59.36 58.23 2g50 h GLU 343 Cb 0.28 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 2g50 h GLU 343 CO -0.01 1.01 0.28 0.78 -1.00 0.00 0.00 179.01 180.07 2g50 h GLY 344 N 0.59 0.73 1.02 -3.84 0.00 -1.24 -2.09 103.07 98.24 2g50 h GLY 344 Ca 0.07 -0.20 -0.07 0.00 0.00 0.00 0.00 47.33 47.14 2g50 h GLY 344 CO 0.07 0.14 0.09 1.48 0.00 0.00 0.00 176.54 178.31 2g50 h SER 345 N 0.54 0.91 -0.22 0.19 4.64 -1.22 -2.39 113.55 116.00 2g50 h SER 345 Ca 0.22 -0.26 0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2g50 h SER 345 Cb 0.10 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 2g50 h SER 345 CO -0.14 0.94 0.08 -0.78 -0.87 0.00 0.00 176.83 176.06 2g50 h ASP 346 N 0.84 0.09 -0.20 4.97 3.58 -0.54 0.99 116.42 126.16 2g50 h ASP 346 Ca 0.17 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.64 2g50 h ASP 346 Cb 0.42 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 2g50 h ASP 346 CO 0.01 0.08 0.11 0.58 -2.88 0.00 0.00 179.24 177.14 2g50 h VAL 347 N 0.18 1.11 -0.45 2.25 2.07 -1.34 -1.15 116.25 118.94 2g50 h VAL 347 Ca 0.09 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.33 2g50 h VAL 347 Cb 0.06 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2g50 h VAL 347 CO -0.09 0.11 0.26 0.00 0.02 0.00 0.00 177.57 177.87 2g50 h ALA 348 N 0.99 0.57 -0.00 1.67 0.00 -1.15 -2.25 119.26 119.09 2g50 h ALA 348 Ca 0.07 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 2g50 h ALA 348 Cb 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2g50 h ALA 348 CO -0.01 -0.06 -0.45 -0.91 0.00 0.00 0.00 179.25 177.82 2g50 h ASN 349 N 0.53 0.00 -0.72 0.00 2.35 -0.62 -0.21 115.58 116.91 2g50 h ASN 349 Ca 0.18 -0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.86 2g50 h ASN 349 Cb 0.02 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 2g50 h ASN 349 CO -0.09 0.45 0.18 0.00 -1.65 0.00 0.00 177.43 176.33 2g50 h ALA 350 N 1.55 0.95 -0.24 -0.83 0.00 -0.83 0.19 119.26 120.05 2g50 h ALA 350 Ca -0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 2g50 h ALA 350 Cb 0.80 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2g50 h ALA 350 CO 0.06 0.67 -0.03 0.28 0.00 0.00 0.00 179.25 180.23 2g50 h VAL 351 N 1.09 1.27 -0.74 0.00 2.07 -0.97 -1.79 116.25 117.18 2g50 h VAL 351 Ca 0.23 -0.99 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 2g50 h VAL 351 Cb 0.37 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 2g50 h VAL 351 CO 0.00 0.31 0.46 -0.07 0.02 0.00 0.00 177.57 178.29 2g50 h LEU 352 N 0.20 0.87 -1.44 2.57 3.38 -0.84 -1.95 115.31 118.10 2g50 h LEU 352 Ca 0.06 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2g50 h LEU 352 Cb 0.47 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2g50 h LEU 352 CO 0.02 0.66 0.35 0.44 0.09 0.00 0.00 178.44 179.99 2g50 h ASP 353 N 1.01 0.63 0.00 -0.43 3.32 -0.44 -3.47 116.42 117.04 2g50 h ASP 353 Ca 0.27 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2g50 h ASP 353 Cb -0.06 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.33 2g50 h ASP 353 CO -0.05 0.47 0.00 0.61 -1.72 0.00 0.00 179.24 178.55 2g50 n GLY 354 N -1.42 1.51 3.72 2.75 0.00 -0.73 -4.65 105.19 106.37 2g50 n GLY 354 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 2.57 -0.09 4.61 0.00 -0.71 -4.91 120.51 121.98 2g50 n ALA 355 Ca 0.00 0.39 -0.14 0.00 0.00 0.00 0.00 53.44 53.69 2g50 n ALA 355 Cb 0.00 -2.48 -0.04 0.00 0.00 0.00 0.00 19.45 16.93 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 5.87 0.88 -4.12 0.00 3.32 -1.36 -3.45 116.42 117.56 2g50 h ASP 356 Ca -0.45 -0.50 -0.46 0.00 0.02 0.00 0.00 57.03 55.65 2g50 h ASP 356 Cb 1.22 -0.25 -0.20 0.00 0.22 0.00 0.00 39.33 40.32 2g50 h ASP 356 CO 0.88 1.20 -0.78 0.00 -1.72 0.00 0.00 179.24 178.82 2g50 s ILE 358 N -1.71 2.44 0.11 0.00 -4.36 -0.04 -1.42 121.20 116.21 2g50 s ILE 358 Ca 0.06 -2.29 0.05 0.00 -0.26 0.00 0.00 60.65 58.22 2g50 s ILE 358 Cb -0.07 -2.25 -0.04 0.00 1.25 0.00 0.00 42.46 41.36 2g50 s ILE 358 CO 0.04 -0.31 -0.13 -0.32 0.24 0.00 0.00 174.94 174.45 2g50 s MET 359 N -3.25 0.94 -0.02 0.37 1.75 -0.81 -1.38 119.30 116.90 2g50 s MET 359 Ca 0.27 -1.16 0.06 0.00 -1.25 0.00 0.00 55.69 53.61 2g50 s MET 359 Cb -0.06 -0.81 -0.01 0.00 2.84 0.00 0.00 34.83 36.78 2g50 s MET 359 CO 0.13 0.16 -0.19 -0.51 -0.65 0.00 0.00 175.02 173.96 2g50 s LEU 360 N -2.29 2.01 0.00 4.11 1.43 -0.11 -4.47 118.68 119.36 2g50 s LEU 360 Ca 0.06 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 2g50 s LEU 360 Cb -0.06 -1.02 0.00 0.00 0.03 0.00 0.00 46.19 45.14 2g50 s LEU 360 CO 0.02 0.22 0.00 -1.20 0.23 0.00 0.00 176.35 175.62 2g50 n SER 361 N 2.75 0.00 0.19 2.29 7.64 -1.26 -1.30 113.62 123.93 2g50 n SER 361 Ca -0.16 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.85 2g50 n SER 361 Cb 0.53 0.00 0.70 0.00 -1.01 0.00 0.00 64.21 64.43 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 0.00 0.54 0.23 0.00 -1.97 0.65 103.07 102.52 2g50 h GLY 362 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.47 2g50 h GLY 362 CO 0.00 0.00 0.57 0.83 0.00 0.00 0.00 176.54 177.94 2g50 h GLU 363 N 0.00 0.69 0.00 4.80 3.07 -1.90 -0.49 114.58 120.75 2g50 h GLU 363 Ca 0.08 -0.04 -0.20 0.00 -0.50 0.00 0.00 59.36 58.70 2g50 h GLU 363 Cb 0.33 -0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 28.05 2g50 h GLU 363 CO -0.00 0.46 -1.90 0.25 -1.40 0.00 0.00 179.01 176.42 2g50 n THR 364 N -4.56 0.73 -0.05 1.13 -2.24 -0.76 -3.67 114.28 104.86 2g50 n THR 364 Ca 0.17 -0.53 -0.16 0.00 -2.27 0.00 0.00 64.05 61.26 2g50 n THR 364 Cb 0.45 -0.44 -0.07 0.00 -2.10 0.00 0.00 70.33 68.17 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 0.31 0.00 6.98 0.00 -0.34 -3.34 119.26 123.72 2g50 h ALA 365 Ca -0.29 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2g50 h ALA 365 Cb 1.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2g50 h ALA 365 CO 0.02 0.50 -0.04 0.36 0.00 0.00 0.00 179.25 180.08 2g50 n LYS 366 N -4.15 2.28 -1.07 0.00 2.85 -0.68 -1.26 118.16 116.13 2g50 n LYS 366 Ca -0.06 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.91 2g50 n LYS 366 Cb 0.61 -0.21 0.20 0.00 -0.65 0.00 0.00 35.03 34.98 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 -0.31 1.56 0.00 2.58 0.00 -0.28 -4.72 107.32 106.15 2g50 s GLY 367 Ca 0.00 -0.49 0.26 0.00 0.00 0.00 0.00 44.72 44.49 2g50 s GLY 367 CO 0.00 0.21 1.55 1.22 0.00 0.00 0.00 173.10 176.08 2g50 n ASP 368 N -4.43 0.40 -2.73 1.64 8.00 -0.12 -4.38 116.55 114.93 2g50 n ASP 368 Ca 0.06 -0.10 -0.14 0.00 0.71 0.00 0.00 54.79 55.32 2g50 n ASP 368 Cb 0.58 0.06 0.01 0.00 -0.02 0.00 0.00 41.12 41.75 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 -1.46 1.50 -0.30 1.24 4.01 -1.26 -4.96 117.16 115.93 2g50 n TYR 369 Ca 0.06 -3.07 -0.03 0.00 -0.16 0.00 0.00 57.90 54.70 2g50 n TYR 369 Cb 0.33 -0.34 0.09 0.00 -0.31 0.00 0.00 39.34 39.11 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 2.93 1.01 -0.38 -0.72 0.13 -1.76 -1.76 132.00 131.45 2g50 h PRO 370 Ca 0.01 -0.06 -0.11 0.00 -0.87 0.00 0.00 66.00 64.97 2g50 h PRO 370 Cb 1.07 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 2g50 h PRO 370 CO 0.57 0.67 -0.18 -0.07 -0.23 0.00 0.00 178.00 178.76 2g50 h LEU 371 N 1.04 0.82 -1.06 1.56 3.38 -1.93 -2.23 115.31 116.90 2g50 h LEU 371 Ca 0.31 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.91 2g50 h LEU 371 Cb -0.04 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.43 2g50 h LEU 371 CO -0.09 1.04 0.64 -0.33 0.09 0.00 0.00 178.44 179.78 2g50 h GLU 372 N 0.59 1.19 -0.38 1.13 3.07 -1.90 -0.32 114.58 117.97 2g50 h GLU 372 Ca 0.08 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.85 2g50 h GLU 372 Cb 0.73 -0.27 -0.02 0.00 -0.84 0.00 0.00 28.75 28.36 2g50 h GLU 372 CO 0.06 0.79 0.16 0.00 -1.40 0.00 0.00 179.01 178.61 2g50 h ALA 373 N 1.43 0.49 -0.32 3.43 0.00 -1.08 0.04 119.26 123.25 2g50 h ALA 373 Ca 0.38 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2g50 h ALA 373 Cb -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2g50 h ALA 373 CO -0.12 0.08 0.11 0.28 0.00 0.00 0.00 179.25 179.61 2g50 h VAL 374 N 0.47 1.20 -0.82 0.00 2.07 -0.98 -2.05 116.25 116.13 2g50 h VAL 374 Ca 0.13 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 2g50 h VAL 374 Cb 0.17 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 2g50 h VAL 374 CO -0.01 0.21 0.51 0.03 0.02 0.00 0.00 177.57 178.33 2g50 h ARG 375 N 0.37 1.10 -0.38 1.57 3.08 -0.90 -1.73 114.38 117.49 2g50 h ARG 375 Ca 0.11 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 2g50 h ARG 375 Cb 0.22 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2g50 h ARG 375 CO -0.01 0.76 -0.11 1.98 -1.07 0.00 0.00 179.97 181.52 2g50 h MET 376 N 1.12 0.74 -0.93 0.04 4.05 -0.81 -1.42 114.93 117.72 2g50 h MET 376 Ca 0.30 -0.29 0.05 0.00 -0.28 0.00 0.00 59.70 59.47 2g50 h MET 376 Cb -0.07 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 30.63 2g50 h MET 376 CO -0.06 0.89 0.60 1.96 0.23 0.00 0.00 176.91 180.53 2g50 h GLN 377 N 0.54 1.11 0.08 0.39 4.20 -1.02 -0.92 115.11 119.49 2g50 h GLN 377 Ca 0.09 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 2g50 h GLN 377 Cb 0.63 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 2g50 h GLN 377 CO 0.04 0.73 -0.06 1.25 -0.67 0.00 0.00 178.83 180.13 2g50 h HIS 378 N 1.14 -0.14 -0.42 2.96 2.76 -1.13 -0.61 115.15 119.70 2g50 h HIS 378 Ca 0.38 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.54 2g50 h HIS 378 Cb 0.06 0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.05 2g50 h HIS 378 CO -0.01 -0.09 0.20 -0.07 -1.30 0.00 0.00 177.93 176.66 2g50 h LEU 379 N -0.14 0.54 -0.32 0.26 3.38 -0.93 -2.14 115.31 115.97 2g50 h LEU 379 Ca -0.01 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 2g50 h LEU 379 Cb 0.12 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2g50 h LEU 379 CO 0.00 0.51 -0.01 0.40 0.09 0.00 0.00 178.44 179.44 2g50 h ILE 380 N 0.54 1.26 -0.70 1.22 2.04 -1.13 -2.86 117.51 117.87 2g50 h ILE 380 Ca 0.14 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 65.07 2g50 h ILE 380 Cb 0.11 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 2g50 h ILE 380 CO -0.02 0.31 0.44 0.00 0.00 0.00 0.00 178.15 178.88 2g50 h ALA 381 N 0.84 0.92 -0.80 1.87 0.00 -0.98 -0.38 119.26 120.74 2g50 h ALA 381 Ca 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2g50 h ALA 381 Cb 0.45 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2g50 h ALA 381 CO 0.02 0.21 0.47 0.00 0.00 0.00 0.00 179.25 179.94 2g50 h ARG 382 N 0.85 1.09 -0.31 0.00 3.08 -1.30 0.89 114.38 118.68 2g50 h ARG 382 Ca 0.29 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.18 2g50 h ARG 382 Cb 0.03 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 2g50 h ARG 382 CO -0.11 0.78 -0.00 0.93 -1.07 0.00 0.00 179.97 180.49 2g50 h GLU 383 N 1.09 0.55 -0.23 0.04 4.39 -1.19 -3.07 114.58 116.18 2g50 h GLU 383 Ca 0.28 -0.18 -0.10 0.00 0.34 0.00 0.00 59.36 59.71 2g50 h GLU 383 Cb -0.02 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2g50 h GLU 383 CO -0.05 0.69 -0.29 0.00 -1.16 0.00 0.00 179.01 178.21 2g50 h ALA 384 N 0.84 1.09 -0.91 3.43 0.00 -0.77 -2.91 119.26 120.04 2g50 h ALA 384 Ca 0.09 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.65 2g50 h ALA 384 Cb 0.45 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2g50 h ALA 384 CO 0.02 0.56 0.60 0.93 0.00 0.00 0.00 179.25 181.36 2g50 h GLU 385 N 0.39 1.20 -0.31 0.00 5.08 -0.77 -1.84 114.58 118.32 2g50 h GLU 385 Ca 0.05 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 2g50 h GLU 385 Cb 0.70 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2g50 h GLU 385 CO 0.05 0.79 -0.12 0.00 -1.00 0.00 0.00 179.01 178.74 2g50 h ALA 386 N 1.33 1.23 0.00 3.43 0.00 -1.43 -2.97 119.26 120.85 2g50 h ALA 386 Ca 0.33 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2g50 h ALA 386 Cb -0.14 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2g50 h ALA 386 CO -0.07 0.50 0.00 0.00 0.00 0.00 0.00 179.25 179.68 2g50 n ALA 387 N -2.48 2.40 -1.40 0.00 0.00 -0.73 -4.54 120.51 113.77 2g50 n ALA 387 Ca 0.01 -0.14 -0.35 0.00 0.00 0.00 0.00 53.44 52.97 2g50 n ALA 387 Cb 0.32 -1.45 0.09 0.00 0.00 0.00 0.00 19.45 18.41 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 -2.53 2.16 -1.12 0.00 -1.94 -1.00 -4.94 119.30 109.93 2g50 s MET 388 Ca 0.28 1.81 -0.08 0.00 -1.71 0.00 0.00 55.69 55.99 2g50 s MET 388 Cb 0.19 -1.83 0.28 0.00 2.01 0.00 0.00 34.83 35.48 2g50 s MET 388 CO 0.42 -1.83 1.29 0.34 -0.01 0.00 0.00 175.02 175.22 2g50 n PHE 389 N -2.63 4.16 -0.27 -0.03 -0.00 -1.26 -4.89 117.46 112.54 2g50 n PHE 389 Ca 0.14 -3.39 0.01 0.00 -0.00 0.00 0.00 57.45 54.21 2g50 n PHE 389 Cb 0.50 -1.59 0.14 0.00 -0.00 0.00 0.00 39.48 38.52 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 0.79 -0.38 -5.13 3.86 -1.92 -1.24 115.15 117.37 2g50 h HIS 390 Ca 0.20 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.49 2g50 h HIS 390 Cb 0.77 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.96 2g50 h HIS 390 CO 0.88 0.35 0.12 -0.09 0.86 0.00 0.00 177.93 180.05 2g50 h ARG 391 N 0.76 0.26 -0.24 2.45 2.43 -1.91 0.71 114.38 118.85 2g50 h ARG 391 Ca 0.36 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.40 2g50 h ARG 391 Cb 0.28 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2g50 h ARG 391 CO -0.22 0.17 -0.30 0.87 -1.51 0.00 0.00 179.97 178.99 2g50 h LYS 392 N 0.27 0.62 -0.32 0.20 1.79 -1.79 -2.31 116.57 115.03 2g50 h LYS 392 Ca 0.17 -0.35 0.04 0.00 -2.18 0.00 0.00 60.65 58.34 2g50 h LYS 392 Cb 0.16 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.80 2g50 h LYS 392 CO -0.19 0.96 0.06 1.25 -1.08 0.00 0.00 179.45 180.46 2g50 h LEU 393 N 0.33 0.02 -0.42 2.94 5.85 -0.95 -0.61 115.31 122.47 2g50 h LEU 393 Ca 0.03 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.81 2g50 h LEU 393 Cb 0.87 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 2g50 h LEU 393 CO 0.07 0.05 0.27 0.15 -0.34 0.00 0.00 178.44 178.63 2g50 h PHE 394 N 0.18 0.50 -0.67 1.25 3.57 -0.83 0.46 116.94 121.40 2g50 h PHE 394 Ca 0.15 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.70 2g50 h PHE 394 Cb 0.16 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 2g50 h PHE 394 CO -0.17 0.31 0.40 0.93 -2.23 0.00 0.00 178.31 177.55 2g50 h GLU 395 N 0.54 0.76 -0.14 1.11 5.08 -1.00 -0.53 114.58 120.41 2g50 h GLU 395 Ca 0.16 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.30 2g50 h GLU 395 Cb -0.03 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 2g50 h GLU 395 CO -0.05 0.50 -0.64 0.93 -1.00 0.00 0.00 179.01 178.74 2g50 h GLU 396 N 0.78 0.52 -0.43 2.33 5.08 -0.63 -1.52 114.58 120.70 2g50 h GLU 396 Ca 0.28 -0.37 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 2g50 h GLU 396 Cb 0.07 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2g50 h GLU 396 CO -0.13 0.99 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.79 2g50 h LEU 397 N 0.38 0.76 -0.47 1.33 3.38 -0.67 -1.88 115.31 118.13 2g50 h LEU 397 Ca -0.01 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.67 2g50 h LEU 397 Cb 1.21 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.72 2g50 h LEU 397 CO 0.12 0.90 0.26 0.00 0.09 0.00 0.00 178.44 179.81 2g50 h ALA 398 N 0.90 0.60 -0.48 1.53 0.00 -0.98 -2.24 119.26 118.59 2g50 h ALA 398 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2g50 h ALA 398 Cb 0.51 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2g50 h ALA 398 CO 0.03 -0.06 0.30 -0.09 0.00 0.00 0.00 179.25 179.42 2g50 h ARG 399 N 0.52 0.59 -0.05 0.00 2.43 -1.17 -2.33 114.38 114.37 2g50 h ARG 399 Ca 0.20 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 2g50 h ARG 399 Cb 0.06 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 2g50 h ARG 399 CO -0.11 0.39 -0.25 0.00 -1.51 0.00 0.00 179.97 178.49 2g50 h ALA 400 N 1.19 1.49 -0.60 2.80 0.00 -0.94 -2.92 119.26 120.29 2g50 h ALA 400 Ca 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2g50 h ALA 400 Cb -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2g50 h ALA 400 CO -0.06 0.37 0.00 0.43 0.00 0.00 0.00 179.25 179.99 2g50 n SER 401 N -4.21 4.08 0.31 0.00 7.64 -0.88 -4.63 113.62 115.93 2g50 n SER 401 Ca -0.02 -2.24 0.19 0.00 1.01 0.00 0.00 58.87 57.82 2g50 n SER 401 Cb 0.33 -0.48 1.04 0.00 -1.01 0.00 0.00 64.21 64.08 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 3.63 0.00 0.53 6.43 4.64 -1.22 -0.61 113.55 126.94 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 1.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2g50 h SER 402 CO 0.10 0.00 -0.16 0.06 -0.87 0.00 0.00 176.83 175.96 2g50 h GLN 403 N 0.00 0.00 -6.06 4.77 -0.00 -1.85 -3.43 115.11 108.55 2g50 h GLN 403 Ca 0.02 0.00 -0.57 0.00 -0.00 0.00 0.00 58.65 58.10 2g50 h GLN 403 Cb 0.19 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.61 2g50 h GLN 403 CO -0.00 0.16 0.01 0.45 -0.00 0.00 0.00 178.83 179.45 2g50 s SER 404 N -6.18 6.97 -0.23 0.06 0.15 -0.24 -4.96 113.70 109.27 2g50 s SER 404 Ca -0.02 1.16 0.13 0.00 0.70 0.00 0.00 55.95 57.92 2g50 s SER 404 Cb 0.12 -2.37 0.49 0.00 -1.71 0.00 0.00 66.02 62.55 2g50 s SER 404 CO 0.60 0.04 1.41 0.35 1.20 0.00 0.00 173.24 176.85 2g50 n THR 405 N 3.03 2.38 -1.69 6.45 -2.24 -1.26 -5.04 114.28 115.92 2g50 n THR 405 Ca -0.05 -2.39 -0.44 0.00 -2.27 0.00 0.00 64.05 58.89 2g50 n THR 405 Cb 0.51 -0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.43 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 -0.93 2.94 -0.14 3.42 2.03 -1.26 -4.88 116.55 117.72 2g50 n ASP 406 Ca 0.27 1.16 -0.11 0.00 0.52 0.00 0.00 54.79 56.62 2g50 n ASP 406 Cb 0.94 -1.47 -0.01 0.00 -0.72 0.00 0.00 41.12 39.86 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 3.98 0.86 -0.89 -2.67 3.38 -1.99 -1.68 115.31 116.30 2g50 h LEU 407 Ca -0.46 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.08 2g50 h LEU 407 Cb 1.27 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 2g50 h LEU 407 CO 0.74 1.05 0.19 -0.03 0.09 0.00 0.00 178.44 180.48 2g50 h MET 408 N 0.67 1.01 -0.85 1.13 4.05 -1.93 -1.23 114.93 117.77 2g50 h MET 408 Ca 0.10 -0.21 0.01 0.00 -0.28 0.00 0.00 59.70 59.32 2g50 h MET 408 Cb 0.70 -0.15 -0.04 0.00 -0.80 0.00 0.00 31.60 31.31 2g50 h MET 408 CO 0.05 0.87 0.56 0.93 0.23 0.00 0.00 176.91 179.56 2g50 h GLU 409 N 0.97 1.10 -0.39 0.39 5.08 -1.88 0.66 114.58 120.51 2g50 h GLU 409 Ca 0.21 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 2g50 h GLU 409 Cb 0.30 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2g50 h GLU 409 CO -0.01 0.73 0.08 0.00 -1.00 0.00 0.00 179.01 178.81 2g50 h ALA 410 N 1.48 0.52 -0.81 3.43 0.00 -0.76 0.70 119.26 123.82 2g50 h ALA 410 Ca 0.32 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2g50 h ALA 410 Cb -0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 2g50 h ALA 410 CO -0.07 0.21 0.51 0.52 0.00 0.00 0.00 179.25 180.42 2g50 h MET 411 N 0.49 1.08 -0.19 0.00 2.86 -0.81 -0.83 114.93 117.54 2g50 h MET 411 Ca 0.12 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 2g50 h MET 411 Cb 0.34 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 2g50 h MET 411 CO 0.00 0.74 0.02 0.00 1.06 0.00 0.00 176.91 178.74 2g50 h ALA 412 N 1.28 0.25 -0.47 6.32 0.00 -0.56 -0.68 119.26 125.40 2g50 h ALA 412 Ca 0.29 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2g50 h ALA 412 Cb -0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2g50 h ALA 412 CO -0.06 -0.07 0.17 0.52 0.00 0.00 0.00 179.25 179.81 2g50 h MET 413 N 0.10 0.71 -0.69 0.00 2.86 -0.76 0.18 114.93 117.33 2g50 h MET 413 Ca 0.06 -0.14 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2g50 h MET 413 Cb 0.33 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 2g50 h MET 413 CO 0.00 0.66 0.45 0.78 1.06 0.00 0.00 176.91 179.86 2g50 h GLY 414 N 0.62 0.98 0.93 8.32 0.00 -1.04 -0.59 103.07 112.29 2g50 h GLY 414 Ca 0.15 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 47.02 2g50 h GLY 414 CO -0.01 0.37 -0.14 1.76 0.00 0.00 0.00 176.54 178.52 2g50 h SER 415 N 0.94 0.67 -0.31 0.19 0.02 -0.82 -0.25 113.55 113.99 2g50 h SER 415 Ca 0.25 -0.40 -0.03 0.00 -0.84 0.00 0.00 61.79 60.77 2g50 h SER 415 Cb -0.09 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 2g50 h SER 415 CO -0.05 0.93 0.06 0.58 -1.14 0.00 0.00 176.83 177.21 2g50 h VAL 416 N 0.42 1.23 -0.43 2.27 2.07 -0.86 0.60 116.25 121.55 2g50 h VAL 416 Ca 0.07 -0.78 0.06 0.00 0.82 0.00 0.00 66.70 66.87 2g50 h VAL 416 Cb 0.67 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 2g50 h VAL 416 CO 0.04 0.26 0.13 -0.08 0.02 0.00 0.00 177.57 177.94 2g50 h GLU 417 N 0.34 0.27 -0.80 1.57 4.57 -1.03 -0.86 114.58 118.64 2g50 h GLU 417 Ca 0.10 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 2g50 h GLU 417 Cb 0.32 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.81 2g50 h GLU 417 CO 0.00 0.18 0.48 0.00 -1.18 0.00 0.00 179.01 178.49 2g50 h ALA 418 N 1.30 1.03 -0.67 2.92 0.00 -0.84 -1.67 119.26 121.32 2g50 h ALA 418 Ca 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2g50 h ALA 418 Cb 0.22 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2g50 h ALA 418 CO -0.23 0.50 0.39 0.66 0.00 0.00 0.00 179.25 180.57 2g50 h SER 419 N 1.11 0.81 -0.37 0.00 4.64 0.01 -1.91 113.55 117.83 2g50 h SER 419 Ca 0.29 -0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 61.49 2g50 h SER 419 Cb -0.03 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.84 2g50 h SER 419 CO -0.05 0.63 -0.06 1.88 -0.87 0.00 0.00 176.83 178.36 2g50 h TYR 420 N 0.93 0.78 -0.32 4.77 0.05 -0.72 -1.68 116.97 120.77 2g50 h TYR 420 Ca 0.24 -0.16 -0.04 0.00 0.05 0.00 0.00 58.73 58.83 2g50 h TYR 420 Cb -0.02 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 37.51 2g50 h TYR 420 CO 0.00 0.83 0.05 -0.22 -1.05 0.00 0.00 178.16 177.77 2g50 h LYS 421 N 0.50 0.53 -0.56 4.88 1.63 -0.65 -2.98 116.57 119.93 2g50 h LYS 421 Ca 0.10 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2g50 h LYS 421 Cb 0.55 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 2g50 h LYS 421 CO 0.03 0.63 0.00 0.00 -3.45 0.00 0.00 179.45 176.66 2g50 n LEU 423 N 1.46 -2.62 -4.75 0.00 4.77 -0.83 -4.89 117.00 110.14 2g50 n LEU 423 Ca 0.21 -0.96 -0.38 0.00 -0.03 0.00 0.00 56.01 54.85 2g50 n LEU 423 Cb 0.58 -2.38 0.04 0.00 -2.33 0.00 0.00 43.42 39.33 2g50 n LEU 423 CO 0.16 0.43 0.97 0.00 -1.33 0.00 0.00 177.39 177.62 2g50 s ALA 424 N -3.76 2.78 -0.58 -1.18 0.00 -0.69 -4.89 121.76 113.44 2g50 s ALA 424 Ca 0.12 1.31 0.24 0.00 0.00 0.00 0.00 51.96 53.64 2g50 s ALA 424 Cb -0.04 -3.56 0.51 0.00 0.00 0.00 0.00 23.12 20.02 2g50 s ALA 424 CO 0.86 -1.37 1.58 0.00 0.00 0.00 0.00 175.76 176.84 2g50 h ALA 425 N 1.39 0.89 -2.03 0.00 0.00 -1.11 -3.43 119.26 114.96 2g50 h ALA 425 Ca -0.51 0.00 0.17 0.00 0.00 0.00 0.00 54.91 54.58 2g50 h ALA 425 Cb 1.30 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.95 2g50 h ALA 425 CO 0.57 0.00 0.59 0.00 0.00 0.00 0.00 179.25 180.41 2g50 s ALA 426 N -3.17 -1.89 -0.14 0.00 0.00 -1.26 -4.21 121.76 111.09 2g50 s ALA 426 Ca 0.08 0.97 -0.00 0.00 0.00 0.00 0.00 51.96 53.00 2g50 s ALA 426 Cb 0.10 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.54 2g50 s ALA 426 CO 0.66 -0.76 -0.14 -0.51 0.00 0.00 0.00 175.76 175.01 2g50 s LEU 427 N -2.54 2.62 -0.19 0.00 1.02 -0.31 -1.51 118.68 117.77 2g50 s LEU 427 Ca 0.08 -0.39 -0.07 0.00 0.02 0.00 0.00 54.13 53.77 2g50 s LEU 427 Cb -0.01 -1.59 -0.04 0.00 0.02 0.00 0.00 46.19 44.57 2g50 s LEU 427 CO -0.06 0.12 0.06 -0.63 0.02 0.00 0.00 176.35 175.87 2g50 s ILE 428 N 0.59 4.71 -0.09 -0.59 1.01 1.00 -0.14 121.20 127.70 2g50 s ILE 428 Ca -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.51 2g50 s ILE 428 Cb -0.16 -3.13 0.02 0.00 0.01 0.00 0.00 42.46 39.20 2g50 s ILE 428 CO 0.03 0.44 -0.07 -0.69 0.00 0.00 0.00 174.94 174.66 2g50 s VAL 429 N 0.54 0.87 -0.24 2.92 1.01 0.11 0.03 120.40 125.64 2g50 s VAL 429 Ca 0.03 -0.23 -0.18 0.00 0.00 0.00 0.00 61.98 61.60 2g50 s VAL 429 Cb -0.13 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 2g50 s VAL 429 CO 0.01 0.33 0.53 -0.76 0.00 0.00 0.00 175.10 175.21 2g50 s LEU 430 N 1.44 4.09 -0.16 3.92 1.02 -0.82 -1.06 118.68 127.10 2g50 s LEU 430 Ca -0.01 0.59 -0.15 0.00 0.02 0.00 0.00 54.13 54.59 2g50 s LEU 430 Cb -0.13 -2.70 0.04 0.00 0.02 0.00 0.00 46.19 43.42 2g50 s LEU 430 CO -0.04 -0.26 0.43 0.28 0.02 0.00 0.00 176.35 176.78 2g50 s THR 431 N 2.09 -0.00 -0.26 5.49 -1.32 -0.72 -4.80 115.64 116.12 2g50 s THR 431 Ca 0.23 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.59 2g50 s THR 431 Cb -0.16 -0.61 -0.15 0.00 -1.51 0.00 0.00 72.50 70.08 2g50 s THR 431 CO 0.09 0.00 -0.21 1.21 -2.21 0.00 0.00 174.62 173.50 2g50 n GLU 432 N 2.91 0.60 0.15 7.08 4.07 -1.26 -4.06 120.64 130.13 2g50 n GLU 432 Ca -0.14 0.29 0.12 0.00 -0.06 0.00 0.00 57.16 57.37 2g50 n GLU 432 Cb 0.57 -1.55 0.09 0.00 -0.06 0.00 0.00 31.44 30.49 2g50 n GLU 432 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 2g50 h SER 433 N -0.78 0.00 0.00 4.31 4.64 -1.98 -3.42 113.55 116.32 2g50 h SER 433 Ca -0.62 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 2g50 h SER 433 Cb 1.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 2g50 h SER 433 CO -0.31 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.26 2g50 n GLY 434 N 1.15 2.68 0.21 -0.77 0.00 -1.26 -4.89 105.19 102.31 2g50 n GLY 434 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 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 2.89 0.24 -0.68 1.61 3.08 -1.95 -0.27 114.38 119.29 2g50 h ARG 435 Ca 0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2g50 h ARG 435 Cb 0.00 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 2g50 h ARG 435 CO 0.00 0.16 0.40 0.77 -1.07 0.00 0.00 179.97 180.23 2g50 h SER 436 N 0.25 0.84 -0.34 7.04 0.02 -1.93 -1.83 113.55 117.59 2g50 h SER 436 Ca 0.26 -0.08 -0.10 0.00 -0.84 0.00 0.00 61.79 61.04 2g50 h SER 436 Cb 0.36 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 2g50 h SER 436 CO -0.34 0.67 -0.14 0.00 -1.14 0.00 0.00 176.83 175.88 2g50 h ALA 437 N 1.20 0.95 -0.94 3.77 0.00 -1.68 -2.67 119.26 119.89 2g50 h ALA 437 Ca 0.24 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2g50 h ALA 437 Cb 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 2g50 h ALA 437 CO -0.04 0.61 0.59 0.45 0.00 0.00 0.00 179.25 180.86 2g50 h HIS 438 N 0.71 1.21 -0.30 0.00 -0.00 -0.59 -1.33 115.15 114.86 2g50 h HIS 438 Ca 0.11 0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.40 2g50 h HIS 438 Cb 0.63 -0.40 -0.01 0.00 -0.00 0.00 0.00 27.41 27.62 2g50 h HIS 438 CO 0.03 0.79 -0.20 1.96 -0.00 0.00 0.00 177.93 180.51 2g50 h GLN 439 N 1.28 0.56 -0.12 2.45 1.08 -1.15 -1.63 115.11 117.59 2g50 h GLN 439 Ca 0.34 -0.20 -0.03 0.00 -1.45 0.00 0.00 58.65 57.31 2g50 h GLN 439 Cb -0.09 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.29 2g50 h GLN 439 CO -0.07 0.73 -0.03 0.28 -0.95 0.00 0.00 178.83 178.80 2g50 h VAL 440 N 0.50 1.29 -0.95 -0.54 2.07 -1.12 -3.13 116.25 114.37 2g50 h VAL 440 Ca 0.08 -0.95 0.12 0.00 0.82 0.00 0.00 66.70 66.76 2g50 h VAL 440 Cb 0.63 1.68 -0.07 0.00 -1.52 0.00 0.00 31.29 32.00 2g50 h VAL 440 CO 0.04 0.27 0.61 0.00 0.02 0.00 0.00 177.57 178.51 2g50 h ALA 441 N 0.70 1.61 -0.42 1.67 0.00 -1.02 -1.96 119.26 119.83 2g50 h ALA 441 Ca 0.03 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2g50 h ALA 441 Cb 0.44 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2g50 h ALA 441 CO 0.01 0.17 0.28 -0.09 0.00 0.00 0.00 179.25 179.62 2g50 h ARG 442 N 0.91 0.41 -0.28 0.00 2.43 -1.24 -1.77 114.38 114.84 2g50 h ARG 442 Ca 0.46 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.60 2g50 h ARG 442 Cb 0.49 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2g50 h ARG 442 CO -0.22 0.27 0.00 0.66 -1.51 0.00 0.00 179.97 179.17 2g50 n TYR 443 N -4.48 0.36 -3.28 2.20 4.01 -0.74 -4.95 117.16 110.28 2g50 n TYR 443 Ca 0.05 -0.18 -0.16 0.00 -0.16 0.00 0.00 57.90 57.45 2g50 n TYR 443 Cb 0.18 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.28 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 0.56 -2.32 -1.04 -0.72 5.12 -0.67 -4.74 116.66 112.85 2g50 n ARG 444 Ca 0.15 0.85 -0.31 0.00 -1.93 0.00 0.00 57.85 56.61 2g50 n ARG 444 Cb 0.36 -5.75 0.12 0.00 -1.16 0.00 0.00 32.46 26.03 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 -4.50 1.74 0.12 5.56 0.04 -1.26 -4.92 135.00 131.77 2g50 s PRO 445 Ca 0.45 1.36 0.10 0.00 0.04 0.00 0.00 61.00 62.95 2g50 s PRO 445 Cb -0.06 -1.82 -0.15 0.00 0.04 0.00 0.00 34.50 32.50 2g50 s PRO 445 CO 0.75 -2.06 1.18 0.07 0.04 0.00 0.00 177.00 176.98 2g50 h ARG 446 N -1.39 0.00 -7.04 4.56 0.11 -1.94 -3.46 114.38 105.22 2g50 h ARG 446 Ca -0.43 0.00 -0.47 0.00 0.10 0.00 0.00 59.98 59.18 2g50 h ARG 446 Cb 1.25 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.34 2g50 h ARG 446 CO 0.47 0.77 0.38 0.00 0.10 0.00 0.00 179.97 181.68 2g50 s ALA 447 N -2.76 2.98 0.62 0.08 0.00 -1.26 -5.01 121.76 116.40 2g50 s ALA 447 Ca 0.00 0.57 -0.18 0.00 0.00 0.00 0.00 51.96 52.35 2g50 s ALA 447 Cb 0.09 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 2g50 s ALA 447 CO 0.80 -0.15 1.23 -1.25 0.00 0.00 0.00 175.76 176.40 2g50 s PRO 448 N -2.99 2.79 -0.33 0.00 0.04 -1.26 -4.68 135.00 128.57 2g50 s PRO 448 Ca 0.63 1.89 -0.09 0.00 0.04 0.00 0.00 61.00 63.48 2g50 s PRO 448 Cb -0.16 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.50 2g50 s PRO 448 CO 0.20 -1.37 0.14 0.42 0.04 0.00 0.00 177.00 176.43 2g50 s ILE 449 N -1.56 4.28 -0.44 0.56 1.01 0.16 -1.16 121.20 124.06 2g50 s ILE 449 Ca 0.79 -0.72 -0.20 0.00 0.00 0.00 0.00 60.65 60.52 2g50 s ILE 449 Cb -0.32 -3.28 0.02 0.00 0.01 0.00 0.00 42.46 38.89 2g50 s ILE 449 CO 0.36 -0.04 0.60 -0.63 0.00 0.00 0.00 174.94 175.23 2g50 s ILE 450 N 1.53 4.88 -0.38 2.92 1.01 0.81 0.25 121.20 132.22 2g50 s ILE 450 Ca 0.02 0.02 -0.13 0.00 0.00 0.00 0.00 60.65 60.57 2g50 s ILE 450 Cb -0.18 -4.18 0.02 0.00 0.01 0.00 0.00 42.46 38.13 2g50 s ILE 450 CO 0.05 -0.57 0.24 0.00 0.00 0.00 0.00 174.94 174.66 2g50 s ALA 451 N 2.69 3.38 -0.22 9.38 0.00 -0.70 -0.72 121.76 135.57 2g50 s ALA 451 Ca 0.21 -1.65 -0.14 0.00 0.00 0.00 0.00 51.96 50.37 2g50 s ALA 451 Cb -0.15 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.24 2g50 s ALA 451 CO 0.18 -1.32 0.34 0.08 0.00 0.00 0.00 175.76 175.04 2g50 s VAL 452 N 1.63 5.23 0.03 0.00 1.01 -0.23 -0.32 120.40 127.75 2g50 s VAL 452 Ca 0.04 0.56 0.01 0.00 0.00 0.00 0.00 61.98 62.58 2g50 s VAL 452 Cb -0.19 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 2g50 s VAL 452 CO 0.08 0.26 -0.04 0.28 0.00 0.00 0.00 175.10 175.68 2g50 s THR 453 N 1.39 0.22 -1.68 3.92 -1.32 -0.31 -1.75 115.64 116.12 2g50 s THR 453 Ca 0.16 -0.97 0.24 0.00 -1.21 0.00 0.00 61.69 59.91 2g50 s THR 453 Cb -0.15 -0.37 0.10 0.00 -1.51 0.00 0.00 72.50 70.57 2g50 s THR 453 CO 0.08 -0.48 1.33 0.54 -2.21 0.00 0.00 174.62 173.87 2g50 n ARG 454 N 1.54 0.77 -3.25 7.08 1.74 -1.26 -0.39 116.66 122.89 2g50 n ARG 454 Ca -0.24 -0.54 -0.42 0.00 -0.77 0.00 0.00 57.85 55.88 2g50 n ARG 454 Cb 0.55 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.42 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 -2.61 6.25 0.29 0.55 3.84 -1.26 -4.87 114.94 117.13 2g50 s ASN 455 Ca 0.19 -0.42 0.00 0.00 0.21 0.00 0.00 52.86 52.85 2g50 s ASN 455 Cb 0.18 -2.26 0.42 0.00 -0.55 0.00 0.00 41.25 39.05 2g50 s ASN 455 CO 0.59 -0.59 1.79 0.45 -2.79 0.00 0.00 177.10 176.56 2g50 h HIS 456 N 8.69 0.73 -0.34 0.43 3.86 -1.95 -1.96 115.15 124.62 2g50 h HIS 456 Ca -0.27 -0.09 -0.12 0.00 -1.16 0.00 0.00 60.37 58.73 2g50 h HIS 456 Cb 1.11 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.37 2g50 h HIS 456 CO 0.68 0.69 -0.25 0.37 0.86 0.00 0.00 177.93 180.28 2g50 h GLN 457 N 0.65 0.76 -0.69 2.45 4.15 -1.97 -2.06 115.11 118.39 2g50 h GLN 457 Ca 0.13 -0.37 0.11 0.00 0.77 0.00 0.00 58.65 59.29 2g50 h GLN 457 Cb 0.42 -0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.03 2g50 h GLN 457 CO 0.02 0.99 0.28 1.15 -1.93 0.00 0.00 178.83 179.34 2g50 h THR 458 N 0.54 0.73 -0.06 2.39 2.02 -1.78 -0.27 112.91 116.48 2g50 h THR 458 Ca 0.06 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 67.10 2g50 h THR 458 Cb 0.81 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 2g50 h THR 458 CO 0.07 0.08 0.01 0.00 0.37 0.00 0.00 175.52 176.04 2g50 h ALA 459 N 1.48 0.05 -0.71 6.16 0.00 -1.08 -1.19 119.26 123.97 2g50 h ALA 459 Ca 0.36 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 2g50 h ALA 459 Cb 0.48 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2g50 h ALA 459 CO -0.34 -0.47 0.29 0.00 0.00 0.00 0.00 179.25 178.73 2g50 h ARG 460 N 0.03 1.06 0.00 0.00 3.08 -1.01 -2.82 114.38 114.72 2g50 h ARG 460 Ca 0.03 -0.19 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 2g50 h ARG 460 Cb 0.03 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 2g50 h ARG 460 CO -0.04 0.86 -0.00 1.96 -1.07 0.00 0.00 179.97 181.68 2g50 h GLN 461 N 1.01 0.00 0.00 0.04 4.20 -0.91 -3.08 115.11 116.37 2g50 h GLN 461 Ca 0.24 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.94 2g50 h GLN 461 Cb 0.19 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 2g50 h GLN 461 CO -0.02 0.00 -0.05 0.00 -0.67 0.00 0.00 178.83 178.09 2g50 h ALA 462 N 2.00 1.29 0.00 3.87 0.00 -0.94 -2.26 119.26 123.22 2g50 h ALA 462 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2g50 h ALA 462 Cb 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2g50 h ALA 462 CO 0.00 0.06 0.01 0.45 0.00 0.00 0.00 179.25 179.76 2g50 h HIS 463 N 0.00 0.00 0.00 0.00 3.86 -1.68 -1.82 115.15 115.51 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 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 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 -2.62 0.57 -4.45 2.43 4.77 -0.85 -4.53 117.00 112.31 2g50 n LEU 464 Ca -0.02 0.66 -0.33 0.00 -0.03 0.00 0.00 56.01 56.28 2g50 n LEU 464 Cb 0.06 -0.60 -0.13 0.00 -2.33 0.00 0.00 43.42 40.42 2g50 n LEU 464 CO 0.14 -0.58 -0.41 -0.31 -1.33 0.00 0.00 177.39 174.90 2g50 s TYR 465 N -3.31 2.87 0.07 -1.77 2.02 -0.68 -4.52 117.35 112.04 2g50 s TYR 465 Ca 0.04 -0.37 -0.35 0.00 -0.37 0.00 0.00 57.07 56.02 2g50 s TYR 465 Cb 0.09 -1.82 -0.14 0.00 -0.40 0.00 0.00 41.96 39.69 2g50 s TYR 465 CO 0.34 -0.02 1.61 -2.13 -1.57 0.00 0.00 175.55 173.79 2g50 n ARG 466 N 3.13 1.93 -0.56 -0.62 3.00 -1.26 -2.87 116.66 119.42 2g50 n ARG 466 Ca -0.18 0.70 0.00 0.00 -0.00 0.00 0.00 57.85 58.37 2g50 n ARG 466 Cb 0.53 -2.46 0.00 0.00 0.00 0.00 0.00 32.46 30.53 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 3.51 1.24 3.64 5.14 0.00 0.84 -4.71 105.19 114.85 2g50 n GLY 467 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.32 4.96 -0.63 -0.61 1.01 -1.14 -0.66 121.20 120.82 2g50 s ILE 468 Ca 0.00 1.23 -0.12 0.00 0.00 0.00 0.00 60.65 61.76 2g50 s ILE 468 Cb 0.00 -3.97 0.16 0.00 0.01 0.00 0.00 42.46 38.66 2g50 s ILE 468 CO 0.00 0.03 0.54 0.12 0.00 0.00 0.00 174.94 175.63 2g50 s PHE 469 N 2.44 3.49 0.22 3.97 5.36 0.14 -4.67 117.98 128.93 2g50 s PHE 469 Ca 0.28 -1.85 -0.30 0.00 -0.96 0.00 0.00 56.93 54.11 2g50 s PHE 469 Cb -0.16 -3.66 -0.08 0.00 -0.34 0.00 0.00 43.02 38.78 2g50 s PHE 469 CO 0.09 -0.98 1.12 -1.25 -1.46 0.00 0.00 175.22 172.73 2g50 s PRO 470 N 0.85 4.59 -0.10 10.12 0.04 -1.26 -1.72 135.00 147.53 2g50 s PRO 470 Ca 0.10 1.78 0.02 0.00 0.04 0.00 0.00 61.00 62.94 2g50 s PRO 470 Cb -0.21 -3.24 0.01 0.00 0.04 0.00 0.00 34.50 31.11 2g50 s PRO 470 CO -0.03 0.10 -0.14 0.08 0.04 0.00 0.00 177.00 177.05 2g50 s VAL 471 N -0.56 1.37 -0.19 -0.36 1.01 0.57 -4.60 120.40 117.64 2g50 s VAL 471 Ca 0.48 -0.58 -0.20 0.00 0.00 0.00 0.00 61.98 61.68 2g50 s VAL 471 Cb -0.31 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 2g50 s VAL 471 CO 0.38 0.41 0.61 -0.69 0.00 0.00 0.00 175.10 175.81 2g50 s VAL 472 N 0.94 5.04 -0.25 2.92 1.01 -1.26 -1.16 120.40 127.64 2g50 s VAL 472 Ca -0.08 1.16 -0.16 0.00 0.00 0.00 0.00 61.98 62.89 2g50 s VAL 472 Cb -0.15 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 2g50 s VAL 472 CO -0.00 0.13 0.44 0.00 0.00 0.00 0.00 175.10 175.68 2g50 n LYS 474 N 5.22 1.49 -2.46 0.00 2.85 -1.26 -4.40 118.16 119.61 2g50 n LYS 474 Ca -0.06 -1.59 -0.37 0.00 -1.05 0.00 0.00 58.31 55.24 2g50 n LYS 474 Cb 0.50 -1.33 -0.03 0.00 -0.65 0.00 0.00 35.03 33.53 2g50 n LYS 474 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2g50 s ASP 475 N -1.32 6.57 0.85 -5.58 1.01 -1.26 -5.02 116.67 111.92 2g50 s ASP 475 Ca 0.21 2.12 -0.11 0.00 0.71 0.00 0.00 52.55 55.48 2g50 s ASP 475 Cb 0.14 -2.59 0.11 0.00 1.01 0.00 0.00 42.92 41.59 2g50 s ASP 475 CO 0.21 -0.63 1.13 -2.16 0.21 0.00 0.00 175.17 173.93 2g50 s PRO 476 N -2.58 1.54 0.11 8.23 0.04 -1.26 -4.94 135.00 136.13 2g50 s PRO 476 Ca 0.60 1.45 -0.31 0.00 0.04 0.00 0.00 61.00 62.77 2g50 s PRO 476 Cb -0.24 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 2g50 s PRO 476 CO 0.30 -2.23 1.55 0.08 0.04 0.00 0.00 177.00 176.73 2g50 s VAL 477 N -2.67 2.98 0.43 -0.36 1.01 -1.26 -5.00 120.40 115.54 2g50 s VAL 477 Ca 0.66 0.61 -0.21 0.00 0.00 0.00 0.00 61.98 63.03 2g50 s VAL 477 Cb -0.21 -3.39 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 2g50 s VAL 477 CO 0.56 0.03 0.97 -1.10 0.00 0.00 0.00 175.10 175.56 2g50 s GLN 478 N 1.73 4.16 0.13 2.72 -1.52 -1.26 -4.99 119.66 120.63 2g50 s GLN 478 Ca 0.70 1.20 -0.17 0.00 -1.95 0.00 0.00 55.36 55.14 2g50 s GLN 478 Cb -0.40 -2.21 -0.02 0.00 -0.22 0.00 0.00 33.01 30.16 2g50 s GLN 478 CO 0.31 -0.10 1.72 1.49 -0.25 0.00 0.00 175.29 178.46 2g50 h GLU 479 N 1.93 0.50 -5.73 2.91 4.81 -1.99 -3.41 114.58 113.61 2g50 h GLU 479 Ca -0.49 -0.07 -0.59 0.00 -0.13 0.00 0.00 59.36 58.08 2g50 h GLU 479 Cb 1.19 -0.09 -0.09 0.00 0.63 0.00 0.00 28.75 30.39 2g50 h GLU 479 CO 0.61 0.43 0.21 0.00 -0.73 0.00 0.00 179.01 179.53 2g50 s ALA 480 N -5.79 3.55 0.22 2.92 0.00 -1.26 -4.97 121.76 116.44 2g50 s ALA 480 Ca -0.13 -0.20 -0.07 0.00 0.00 0.00 0.00 51.96 51.56 2g50 s ALA 480 Cb 0.10 -3.06 0.33 0.00 0.00 0.00 0.00 23.12 20.48 2g50 s ALA 480 CO 0.73 -0.62 1.77 2.35 0.00 0.00 0.00 175.76 179.99 2g50 h TRP 481 N 7.48 0.61 -0.92 0.00 2.91 -2.00 -1.16 115.95 122.88 2g50 h TRP 481 Ca -0.30 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.75 2g50 h TRP 481 Cb 1.14 -0.17 -0.05 0.00 -0.51 0.00 0.00 29.16 29.57 2g50 h TRP 481 CO 0.72 0.21 0.59 0.00 -1.03 0.00 0.00 178.44 178.94 2g50 h ALA 482 N 1.43 1.31 -0.27 2.65 0.00 -1.94 0.13 119.26 122.58 2g50 h ALA 482 Ca 0.34 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 2g50 h ALA 482 Cb 0.37 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2g50 h ALA 482 CO -0.27 0.62 -0.45 0.93 0.00 0.00 0.00 179.25 180.08 2g50 h GLU 483 N 1.26 0.68 -0.52 0.00 5.08 -1.76 -1.52 114.58 117.79 2g50 h GLU 483 Ca 0.33 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2g50 h GLU 483 Cb -0.12 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2g50 h GLU 483 CO -0.07 1.00 0.17 0.22 -1.00 0.00 0.00 179.01 179.33 2g50 h ASP 484 N 0.55 0.76 -0.08 1.42 3.58 -0.53 -0.64 116.42 121.48 2g50 h ASP 484 Ca 0.03 -0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.28 2g50 h ASP 484 Cb 1.00 -0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.85 2g50 h ASP 484 CO 0.09 0.76 0.04 0.58 -2.88 0.00 0.00 179.24 177.83 2g50 h VAL 485 N 0.72 1.12 -0.84 2.25 2.07 -0.97 -2.73 116.25 117.87 2g50 h VAL 485 Ca 0.17 -0.36 0.05 0.00 0.82 0.00 0.00 66.70 67.38 2g50 h VAL 485 Cb 0.27 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 2g50 h VAL 485 CO -0.01 0.10 0.52 0.44 0.02 0.00 0.00 177.57 178.65 2g50 h ASP 486 N -0.01 0.84 -0.42 0.57 3.45 -1.16 -0.49 116.42 119.20 2g50 h ASP 486 Ca 0.03 0.01 0.06 0.00 0.43 0.00 0.00 57.03 57.55 2g50 h ASP 486 Cb 0.14 -0.17 -0.05 0.00 -0.56 0.00 0.00 39.33 38.69 2g50 h ASP 486 CO -0.00 0.55 0.12 0.25 -1.57 0.00 0.00 179.24 178.59 2g50 h LEU 487 N 0.98 0.10 -0.38 1.55 6.46 -1.01 0.61 115.31 123.62 2g50 h LEU 487 Ca 0.36 0.06 -0.18 0.00 -0.12 0.00 0.00 57.88 58.00 2g50 h LEU 487 Cb 0.13 0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.11 2g50 h LEU 487 CO -0.16 0.09 -0.56 0.03 -0.62 0.00 0.00 178.44 177.22 2g50 h ARG 488 N 0.28 0.73 -0.64 1.25 3.08 -1.10 -1.50 114.38 116.47 2g50 h ARG 488 Ca 0.20 -0.47 -0.04 0.00 0.07 0.00 0.00 59.98 59.73 2g50 h ARG 488 Cb 0.21 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 2g50 h ARG 488 CO -0.22 1.10 0.24 0.28 -1.07 0.00 0.00 179.97 180.29 2g50 h VAL 489 N 0.56 1.24 -0.88 2.04 2.07 -0.89 -2.06 116.25 118.33 2g50 h VAL 489 Ca 0.01 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 2g50 h VAL 489 Cb 1.15 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 2g50 h VAL 489 CO 0.12 0.30 0.48 0.78 0.02 0.00 0.00 177.57 179.27 2g50 h ASN 490 N 0.91 1.10 -0.24 0.57 2.35 -0.76 -0.55 115.58 118.95 2g50 h ASN 490 Ca 0.21 -0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.88 2g50 h ASN 490 Cb 0.24 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 2g50 h ASN 490 CO -0.01 0.89 0.10 0.25 -1.65 0.00 0.00 177.43 177.00 2g50 h LEU 491 N 1.23 0.12 -0.75 1.61 5.85 -1.07 -0.43 115.31 121.87 2g50 h LEU 491 Ca 0.31 0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.11 2g50 h LEU 491 Cb 0.04 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 2g50 h LEU 491 CO -0.05 0.10 0.44 0.00 -0.34 0.00 0.00 178.44 178.60 2g50 h ALA 492 N 1.14 1.02 -0.52 1.25 0.00 -0.82 -0.62 119.26 120.71 2g50 h ALA 492 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2g50 h ALA 492 Cb 0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2g50 h ALA 492 CO -0.10 0.15 0.34 0.52 0.00 0.00 0.00 179.25 180.17 2g50 h MET 493 N 0.81 0.69 -0.79 0.00 2.86 -0.69 -0.62 114.93 117.19 2g50 h MET 493 Ca 0.33 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.89 2g50 h MET 493 Cb 0.17 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 2g50 h MET 493 CO -0.17 0.46 0.33 -0.91 1.06 0.00 0.00 176.91 177.67 2g50 h ASN 494 N 0.71 1.06 -0.01 1.22 -0.26 -0.56 -1.62 115.58 116.12 2g50 h ASN 494 Ca 0.19 -0.15 -0.00 0.00 -0.56 0.00 0.00 56.30 55.78 2g50 h ASN 494 Cb -0.08 -0.28 -0.00 0.00 -1.06 0.00 0.00 38.32 36.91 2g50 h ASN 494 CO -0.04 0.93 0.00 0.58 -1.06 0.00 0.00 177.43 177.84 2g50 h VAL 495 N 1.14 1.11 -0.93 2.81 2.07 -0.79 0.02 116.25 121.68 2g50 h VAL 495 Ca 0.26 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 2g50 h VAL 495 Cb 0.19 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 2g50 h VAL 495 CO -0.03 0.08 0.54 1.23 0.02 0.00 0.00 177.57 179.41 2g50 h GLY 496 N -0.12 1.37 0.79 2.17 0.00 -0.97 -0.92 103.07 105.39 2g50 h GLY 496 Ca 0.00 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 46.68 2g50 h GLY 496 CO -0.00 0.57 -0.11 0.50 0.00 0.00 0.00 176.54 177.51 2g50 h LYS 497 N 1.29 0.40 -0.42 4.80 1.57 -1.23 0.13 116.57 123.12 2g50 h LYS 497 Ca 0.33 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 2g50 h LYS 497 Cb -0.01 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2g50 h LYS 497 CO -0.06 0.72 0.12 0.00 -0.57 0.00 0.00 179.45 179.66 2g50 h ALA 498 N 0.68 1.44 -0.04 3.86 0.00 -0.65 -2.74 119.26 121.82 2g50 h ALA 498 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2g50 h ALA 498 Cb 0.61 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2g50 h ALA 498 CO 0.03 0.42 0.00 0.54 0.00 0.00 0.00 179.25 180.24 2g50 n ARG 499 N -4.34 1.84 -1.25 0.00 1.74 -0.38 -4.95 116.66 109.32 2g50 n ARG 499 Ca 0.03 -1.23 -0.04 0.00 -0.77 0.00 0.00 57.85 55.84 2g50 n ARG 499 Cb 0.18 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.14 2g50 n ARG 499 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2g50 n GLY 500 N 1.22 0.60 0.09 -0.13 0.00 -0.92 -4.92 105.19 101.13 2g50 n GLY 500 Ca 0.18 -0.88 -0.04 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 -2.95 1.61 0.04 -1.01 -3.44 116.94 111.18 2g50 h PHE 501 Ca -0.08 0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.76 2g50 h PHE 501 Cb 0.36 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.47 2g50 h PHE 501 CO 0.10 0.83 0.25 -0.59 -0.60 0.00 0.00 178.31 178.30 2g50 s PHE 502 N -3.04 -0.16 0.23 -0.55 -0.12 -1.12 -4.88 117.98 108.33 2g50 s PHE 502 Ca 0.00 -0.30 0.00 0.00 -0.05 0.00 0.00 56.93 56.59 2g50 s PHE 502 Cb 0.11 0.71 -0.05 0.00 -0.63 0.00 0.00 43.02 43.17 2g50 s PHE 502 CO 0.79 -1.23 0.10 -1.59 -0.05 0.00 0.00 175.22 173.24 2g50 s LYS 503 N -3.76 1.30 0.11 1.99 -2.85 -1.26 -3.96 119.74 111.31 2g50 s LYS 503 Ca 0.11 -1.69 -0.35 0.00 -1.00 0.00 0.00 55.97 53.04 2g50 s LYS 503 Cb -0.06 -0.04 -0.16 0.00 -2.06 0.00 0.00 37.83 35.51 2g50 s LYS 503 CO 0.07 -0.32 1.29 1.17 0.10 0.00 0.00 175.35 177.65 2g50 n LYS 504 N -0.37 1.16 0.00 1.78 4.81 -1.26 -1.68 118.16 122.61 2g50 n LYS 504 Ca 0.00 0.42 0.00 0.00 -0.87 0.00 0.00 58.31 57.86 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 2.37 3.25 3.58 3.14 0.00 -0.42 -4.96 105.19 112.15 2g50 n GLY 505 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.05 1.84 0.07 1.61 1.01 -0.67 -4.66 116.67 115.81 2g50 s ASP 506 Ca 0.00 1.48 0.08 0.00 0.71 0.00 0.00 52.55 54.82 2g50 s ASP 506 Cb 0.00 -2.19 -0.03 0.00 1.01 0.00 0.00 42.92 41.71 2g50 s ASP 506 CO 0.00 -3.66 -0.22 0.68 0.21 0.00 0.00 175.17 172.18 2g50 s VAL 507 N -2.67 2.55 0.11 -1.27 -7.23 -1.26 -0.52 120.40 110.11 2g50 s VAL 507 Ca 0.67 -1.37 0.04 0.00 -1.81 0.00 0.00 61.98 59.51 2g50 s VAL 507 Cb -0.22 -2.07 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 2g50 s VAL 507 CO 0.61 0.28 -0.10 0.68 -0.31 0.00 0.00 175.10 176.26 2g50 s VAL 508 N -0.94 1.03 -0.16 1.32 -7.23 -0.22 -0.46 120.40 113.74 2g50 s VAL 508 Ca 0.14 -1.79 -0.09 0.00 -1.81 0.00 0.00 61.98 58.43 2g50 s VAL 508 Cb -0.10 -1.54 -0.05 0.00 0.56 0.00 0.00 36.38 35.25 2g50 s VAL 508 CO 0.05 -0.62 0.15 -0.63 -0.31 0.00 0.00 175.10 173.74 2g50 s ILE 509 N -2.74 5.43 -0.12 -0.62 -1.09 -0.57 -1.32 121.20 120.17 2g50 s ILE 509 Ca 0.09 0.24 0.01 0.00 -2.23 0.00 0.00 60.65 58.76 2g50 s ILE 509 Cb -0.01 -3.46 0.02 0.00 -1.58 0.00 0.00 42.46 37.43 2g50 s ILE 509 CO 0.00 0.51 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.38 2g50 s VAL 510 N -0.22 1.57 -0.21 2.92 1.01 0.25 -0.00 120.40 125.72 2g50 s VAL 510 Ca 0.12 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 2g50 s VAL 510 Cb -0.12 -1.45 -0.00 0.00 0.00 0.00 0.00 36.38 34.81 2g50 s VAL 510 CO 0.01 0.46 -0.07 -0.76 0.00 0.00 0.00 175.10 174.74 2g50 s LEU 511 N 1.13 2.77 0.20 3.92 1.43 0.10 -1.08 118.68 127.16 2g50 s LEU 511 Ca -0.03 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 52.62 2g50 s LEU 511 Cb -0.14 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 2g50 s LEU 511 CO -0.05 -0.01 0.17 0.42 0.23 0.00 0.00 176.35 177.12 2g50 s THR 512 N 1.39 0.01 0.01 5.49 -4.23 -0.28 -1.94 115.64 116.10 2g50 s THR 512 Ca 0.05 -1.91 -0.18 0.00 -1.18 0.00 0.00 61.69 58.47 2g50 s THR 512 Cb -0.14 -2.43 -0.06 0.00 1.34 0.00 0.00 72.50 71.21 2g50 s THR 512 CO -0.04 -0.02 0.50 -0.83 -0.54 0.00 0.00 174.62 173.68 2g50 s GLY 513 N -3.13 2.56 0.25 3.99 0.00 -1.26 -1.22 107.32 108.51 2g50 s GLY 513 Ca 0.36 -0.09 -0.04 0.00 0.00 0.00 0.00 44.72 44.94 2g50 s GLY 513 CO 0.11 0.41 1.81 -0.25 0.00 0.00 0.00 173.10 175.19 2g50 h TRP 514 N 5.01 1.04 -3.74 1.90 2.91 -1.90 -3.45 115.95 117.72 2g50 h TRP 514 Ca -0.49 -0.08 -0.25 0.00 1.13 0.00 0.00 58.89 59.20 2g50 h TRP 514 Cb 1.21 -0.31 -0.15 0.00 -0.51 0.00 0.00 29.16 29.40 2g50 h TRP 514 CO 0.68 0.81 -0.69 1.03 -1.03 0.00 0.00 178.44 179.24 2g50 s ARG 515 N -5.42 0.94 0.48 2.65 0.52 -1.26 -4.99 118.95 111.87 2g50 s ARG 515 Ca -0.11 -1.40 0.20 0.00 -0.52 0.00 0.00 55.73 53.89 2g50 s ARG 515 Cb 0.16 -0.28 1.22 0.00 0.52 0.00 0.00 34.95 36.56 2g50 s ARG 515 CO 0.82 -0.03 1.98 -1.35 0.02 0.00 0.00 175.30 176.74 2g50 h PRO 516 N 2.87 0.20 0.00 3.54 0.11 -1.97 -1.95 132.00 134.79 2g50 h PRO 516 Ca -0.36 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2g50 h PRO 516 Cb 1.18 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2g50 h PRO 516 CO 0.64 0.13 0.00 0.41 -0.21 0.00 0.00 178.00 178.97 2g50 n GLY 517 N -1.58 -1.50 3.68 -0.55 0.00 -1.26 -4.84 105.19 99.14 2g50 n GLY 517 Ca 0.10 -0.07 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.69 3.41 -0.34 1.61 7.64 -0.74 -4.86 113.62 118.65 2g50 n SER 518 Ca 0.06 1.04 0.12 0.00 1.01 0.00 0.00 58.87 61.10 2g50 n SER 518 Cb 0.34 -1.44 0.56 0.00 -1.01 0.00 0.00 64.21 62.66 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 3.85 -0.25 3.83 0.23 0.00 -1.26 -4.90 105.19 106.69 2g50 n GLY 519 Ca 0.19 -0.34 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.93 -0.05 -0.96 1.61 -0.71 -1.26 -5.01 117.98 109.67 2g50 s PHE 520 Ca 0.36 -0.49 -0.24 0.00 -1.04 0.00 0.00 56.93 55.53 2g50 s PHE 520 Cb 0.19 0.76 0.05 0.00 -1.21 0.00 0.00 43.02 42.80 2g50 s PHE 520 CO 0.30 -1.32 1.40 0.95 -1.34 0.00 0.00 175.22 175.20 2g50 s THR 521 N -3.13 3.92 -2.18 -4.49 -4.23 -1.26 -4.43 115.64 99.83 2g50 s THR 521 Ca 0.13 -0.55 0.18 0.00 -1.18 0.00 0.00 61.69 60.27 2g50 s THR 521 Cb -0.05 -5.02 0.41 0.00 1.34 0.00 0.00 72.50 69.19 2g50 s THR 521 CO 0.08 -1.90 1.43 -0.46 -0.54 0.00 0.00 174.62 173.24 2g50 n ASN 522 N 8.88 2.04 -4.01 3.99 0.23 -1.02 -4.71 115.26 120.65 2g50 n ASN 522 Ca 0.26 -1.85 -0.27 0.00 -0.53 0.00 0.00 54.58 52.19 2g50 n ASN 522 Cb 0.50 -0.19 -0.17 0.00 -2.08 0.00 0.00 39.78 37.85 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 -1.63 1.29 -0.07 5.53 2.01 -0.35 -4.89 115.64 117.53 2g50 s THR 523 Ca 0.31 -0.52 0.05 0.00 0.31 0.00 0.00 61.69 61.84 2g50 s THR 523 Cb 0.17 -1.21 -0.01 0.00 0.01 0.00 0.00 72.50 71.46 2g50 s THR 523 CO 0.24 0.40 -0.24 -0.32 -0.69 0.00 0.00 174.62 174.01 2g50 s MET 524 N 1.06 2.66 0.05 4.92 1.75 -1.26 -1.12 119.30 127.36 2g50 s MET 524 Ca -0.06 -0.87 0.04 0.00 -1.25 0.00 0.00 55.69 53.55 2g50 s MET 524 Cb -0.15 -2.16 -0.02 0.00 2.84 0.00 0.00 34.83 35.34 2g50 s MET 524 CO -0.02 0.30 -0.11 1.03 -0.65 0.00 0.00 175.02 175.57 2g50 s ARG 525 N 0.04 0.68 -0.25 4.11 0.52 -0.24 -4.96 118.95 118.85 2g50 s ARG 525 Ca -0.09 -0.79 -0.11 0.00 -0.52 0.00 0.00 55.73 54.22 2g50 s ARG 525 Cb -0.15 -0.59 -0.05 0.00 0.52 0.00 0.00 34.95 34.68 2g50 s ARG 525 CO 0.05 0.13 0.18 0.54 0.02 0.00 0.00 175.30 176.22 2g50 s VAL 526 N -1.18 5.34 -0.04 3.52 0.11 -1.26 -0.58 120.40 126.30 2g50 s VAL 526 Ca -0.05 0.19 0.02 0.00 -2.93 0.00 0.00 61.98 59.22 2g50 s VAL 526 Cb -0.09 -3.51 0.01 0.00 -1.53 0.00 0.00 36.38 31.25 2g50 s VAL 526 CO 0.01 0.32 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.32 2g50 s VAL 527 N 1.27 0.78 0.38 2.04 1.01 -0.43 -4.98 120.40 120.46 2g50 s VAL 527 Ca 0.08 -0.31 -0.26 0.00 0.00 0.00 0.00 61.98 61.49 2g50 s VAL 527 Cb -0.14 -0.73 -0.09 0.00 0.00 0.00 0.00 36.38 35.42 2g50 s VAL 527 CO 0.06 0.26 1.17 -2.16 0.00 0.00 0.00 175.10 174.43 2g50 s PRO 528 N 0.51 4.15 0.02 2.72 0.04 -1.26 -1.06 135.00 140.12 2g50 s PRO 528 Ca -0.08 1.85 -0.30 0.00 0.04 0.00 0.00 61.00 62.50 2g50 s PRO 528 Cb -0.12 -2.75 -0.06 0.00 0.04 0.00 0.00 34.50 31.61 2g50 s PRO 528 CO 0.01 -0.24 1.35 0.08 0.04 0.00 0.00 177.00 178.24 2g50 s VAL 529 N -1.38 3.76 -2.00 -0.36 1.01 0.32 -4.91 120.40 116.84 2g50 s VAL 529 Ca 0.55 1.18 0.26 0.00 0.00 0.00 0.00 61.98 63.97 2g50 s VAL 529 Cb -0.31 -3.76 0.75 0.00 0.00 0.00 0.00 36.38 33.06 2g50 s VAL 529 CO 0.39 0.02 1.93 -0.81 0.00 0.00 0.00 175.10 176.63