#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pg2 s LYS 5 N 0.00 3.32 -0.25 0.00 1.02 -1.26 -4.83 119.74 117.74 1pg2 s LYS 5 Ca 0.00 0.36 -0.03 0.00 0.02 0.00 0.00 55.97 56.32 1pg2 s LYS 5 Cb 0.00 -2.21 0.02 0.00 -0.52 0.00 0.00 37.83 35.12 1pg2 s LYS 5 CO 0.00 -0.55 -0.03 0.15 -0.92 0.00 0.00 175.35 174.00 1pg2 s LYS 6 N -5.02 2.96 -0.05 1.68 1.02 -1.26 -0.84 119.74 118.23 1pg2 s LYS 6 Ca 0.53 -0.90 0.05 0.00 0.02 0.00 0.00 55.97 55.66 1pg2 s LYS 6 Cb -0.11 -3.06 -0.00 0.00 -0.52 0.00 0.00 37.83 34.14 1pg2 s LYS 6 CO 0.49 -0.38 -0.19 0.42 -0.92 0.00 0.00 175.35 174.77 1pg2 s ILE 7 N 1.38 1.59 -0.21 2.17 1.01 0.62 -0.17 121.20 127.60 1pg2 s ILE 7 Ca 0.01 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.87 1pg2 s ILE 7 Cb -0.16 -1.36 0.03 0.00 0.01 0.00 0.00 42.46 40.97 1pg2 s ILE 7 CO -0.03 0.45 -0.15 -0.22 0.00 0.00 0.00 174.94 174.99 1pg2 s LEU 8 N 0.03 2.55 -0.03 2.97 0.20 0.27 -0.09 118.68 124.57 1pg2 s LEU 8 Ca -0.05 -0.78 0.07 0.00 0.69 0.00 0.00 54.13 54.06 1pg2 s LEU 8 Cb -0.12 -1.54 -0.02 0.00 -0.43 0.00 0.00 46.19 44.08 1pg2 s LEU 8 CO 0.03 -0.05 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.13 1pg2 s VAL 9 N 1.28 2.37 0.15 1.68 1.01 0.86 -0.92 120.40 126.83 1pg2 s VAL 9 Ca 0.02 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.03 1pg2 s VAL 9 Cb -0.15 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 1pg2 s VAL 9 CO -0.10 0.57 -0.07 0.42 0.00 0.00 0.00 175.10 175.93 1pg2 s THR 10 N -0.66 1.01 0.21 3.92 -4.23 -0.54 -0.18 115.64 115.17 1pg2 s THR 10 Ca 0.11 -2.03 0.12 0.00 -1.18 0.00 0.00 61.69 58.70 1pg2 s THR 10 Cb -0.10 -1.93 -0.05 0.00 1.34 0.00 0.00 72.50 71.77 1pg2 s THR 10 CO -0.00 -0.67 -0.23 0.00 -0.54 0.00 0.00 174.62 173.17 1pg2 n ALA 12 N 0.07 0.81 -2.60 0.00 0.00 -1.02 -4.79 120.51 112.97 1pg2 n ALA 12 Ca -0.11 0.03 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 1pg2 n ALA 12 Cb 0.57 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.75 1pg2 n ALA 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pg2 s LEU 13 N -3.19 3.95 0.33 0.00 1.43 -1.26 -4.82 118.68 115.12 1pg2 s LEU 13 Ca 0.78 0.58 -0.29 0.00 -1.03 0.00 0.00 54.13 54.17 1pg2 s LEU 13 Cb -0.40 -3.32 -0.11 0.00 0.03 0.00 0.00 46.19 42.38 1pg2 s LEU 13 CO 0.45 -0.93 1.41 -2.84 0.23 0.00 0.00 176.35 174.67 1pg2 s PRO 14 N 3.64 4.23 0.33 1.29 0.02 -1.23 -4.23 135.00 139.07 1pg2 s PRO 14 Ca 0.40 2.39 -0.28 0.00 0.02 0.00 0.00 61.00 63.53 1pg2 s PRO 14 Cb -0.11 -3.03 -0.10 0.00 0.02 0.00 0.00 34.50 31.28 1pg2 s PRO 14 CO 0.21 -0.38 1.23 0.71 -0.33 0.00 0.00 177.00 178.44 1pg2 s TYR 15 N -0.88 3.16 -0.04 6.54 2.02 -1.26 -0.23 117.35 126.66 1pg2 s TYR 15 Ca 0.53 1.51 0.00 0.00 -0.37 0.00 0.00 57.07 58.74 1pg2 s TYR 15 Cb -0.43 -3.54 0.03 0.00 -0.40 0.00 0.00 41.96 37.62 1pg2 s TYR 15 CO 0.55 -1.47 1.66 0.00 -1.57 0.00 0.00 175.55 174.71 1pg2 n ALA 16 N 0.73 3.61 -0.69 3.71 0.00 -0.64 -3.88 120.51 123.35 1pg2 n ALA 16 Ca 0.01 -0.20 0.06 0.00 0.00 0.00 0.00 53.44 53.30 1pg2 n ALA 16 Cb 0.43 -1.04 0.08 0.00 0.00 0.00 0.00 19.45 18.92 1pg2 n ALA 16 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1pg2 n ASN 17 N 1.00 2.11 -3.61 0.00 0.23 -1.26 -4.71 115.26 109.01 1pg2 n ASN 17 Ca 0.04 -2.61 -0.02 0.00 -0.53 0.00 0.00 54.58 51.46 1pg2 n ASN 17 Cb 0.53 -0.25 -0.01 0.00 -2.08 0.00 0.00 39.78 37.97 1pg2 n ASN 17 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1pg2 s GLY 18 N -2.06 -0.35 0.58 4.83 0.00 -1.25 -4.97 107.32 104.10 1pg2 s GLY 18 Ca 0.18 1.04 -0.14 0.00 0.00 0.00 0.00 44.72 45.80 1pg2 s GLY 18 CO 0.02 0.30 1.02 -0.56 0.00 0.00 0.00 173.10 173.87 1pg2 s SER 19 N -2.61 6.21 0.12 1.64 0.01 -1.26 -4.96 113.70 112.86 1pg2 s SER 19 Ca 0.11 1.56 -0.30 0.00 1.31 0.00 0.00 55.95 58.63 1pg2 s SER 19 Cb 0.01 -2.50 -0.07 0.00 0.21 0.00 0.00 66.02 63.68 1pg2 s SER 19 CO -0.04 -0.88 1.15 -0.63 0.41 0.00 0.00 173.24 173.25 1pg2 s ILE 20 N -2.85 3.93 0.50 1.44 -1.09 -1.26 -4.98 121.20 116.90 1pg2 s ILE 20 Ca 0.58 1.53 0.01 0.00 -2.23 0.00 0.00 60.65 60.54 1pg2 s ILE 20 Cb -0.12 -3.98 -0.01 0.00 -1.58 0.00 0.00 42.46 36.77 1pg2 s ILE 20 CO 0.43 0.20 0.01 -1.38 -1.23 0.00 0.00 174.94 172.96 1pg2 s HIS 21 N 0.36 1.88 0.61 3.97 -3.43 -1.26 -0.82 115.29 116.60 1pg2 s HIS 21 Ca 0.54 -0.97 0.34 0.00 -0.80 0.00 0.00 55.06 54.17 1pg2 s HIS 21 Cb -0.30 -1.59 2.00 0.00 -1.43 0.00 0.00 32.58 31.26 1pg2 s HIS 21 CO 0.33 0.21 2.29 -0.07 -2.00 0.00 0.00 174.74 175.49 1pg2 h LEU 22 N 1.38 0.00 -0.16 5.38 3.38 -1.46 -1.72 115.31 122.12 1pg2 h LEU 22 Ca -0.44 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 1pg2 h LEU 22 Cb 1.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 1pg2 h LEU 22 CO 0.74 0.00 -0.06 1.23 0.09 0.00 0.00 178.44 180.44 1pg2 h GLY 23 N 0.04 0.34 1.17 0.83 0.00 -1.92 -2.75 103.07 100.78 1pg2 h GLY 23 Ca -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1pg2 h GLY 23 CO 0.00 0.27 0.44 0.45 0.00 0.00 0.00 176.54 177.70 1pg2 h HIS 24 N -0.00 1.07 0.00 5.60 3.86 -1.74 -2.63 115.15 121.31 1pg2 h HIS 24 Ca 0.04 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1pg2 h HIS 24 Cb 0.52 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.64 1pg2 h HIS 24 CO 0.06 0.74 -0.10 0.52 0.86 0.00 0.00 177.93 180.01 1pg2 h MET 25 N 1.10 0.00 -0.50 2.45 2.07 -1.18 -2.18 114.93 116.69 1pg2 h MET 25 Ca 0.28 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.91 1pg2 h MET 25 Cb 0.02 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 29.72 1pg2 h MET 25 CO -0.05 0.10 0.31 1.25 1.07 0.00 0.00 176.91 179.59 1pg2 h LEU 26 N 0.00 0.60 -0.16 1.22 5.85 -1.18 -0.41 115.31 121.23 1pg2 h LEU 26 Ca -0.00 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1pg2 h LEU 26 Cb 0.24 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1pg2 h LEU 26 CO 0.01 0.47 0.04 -0.08 -0.34 0.00 0.00 178.44 178.54 1pg2 h GLU 27 N 0.67 0.25 -0.27 1.25 4.81 -1.51 -0.78 114.58 119.01 1pg2 h GLU 27 Ca 0.18 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.22 1pg2 h GLU 27 Cb -0.02 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1pg2 h GLU 27 CO -0.03 0.40 -0.35 0.45 -0.73 0.00 0.00 179.01 178.74 1pg2 h HIS 28 N 0.06 0.70 -0.27 0.92 3.86 -1.38 -1.91 115.15 117.12 1pg2 h HIS 28 Ca 0.05 -0.19 -0.13 0.00 -1.16 0.00 0.00 60.37 58.94 1pg2 h HIS 28 Cb 0.26 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 1pg2 h HIS 28 CO 0.01 0.87 -0.33 0.82 0.86 0.00 0.00 177.93 180.16 1pg2 h ILE 29 N 0.50 1.30 -0.33 2.45 2.04 -1.05 0.15 117.51 122.57 1pg2 h ILE 29 Ca 0.05 -1.51 0.02 0.00 1.00 0.00 0.00 64.86 64.42 1pg2 h ILE 29 Cb 0.85 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.53 1pg2 h ILE 29 CO 0.07 0.48 0.16 -0.61 0.00 0.00 0.00 178.15 178.26 1pg2 h GLN 30 N 0.45 0.33 -0.54 2.37 4.15 -0.98 -0.93 115.11 119.96 1pg2 h GLN 30 Ca 0.04 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.38 1pg2 h GLN 30 Cb 0.91 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.51 1pg2 h GLN 30 CO 0.08 0.22 0.13 0.00 -1.93 0.00 0.00 178.83 177.32 1pg2 h ALA 31 N 1.17 0.71 -0.71 3.38 0.00 -1.30 -2.76 119.26 119.75 1pg2 h ALA 31 Ca 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1pg2 h ALA 31 Cb 0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1pg2 h ALA 31 CO -0.10 0.41 0.36 0.22 0.00 0.00 0.00 179.25 180.15 1pg2 h ASP 32 N 0.76 0.92 -0.43 0.00 3.58 -0.49 0.32 116.42 121.08 1pg2 h ASP 32 Ca 0.17 -0.12 -0.00 0.00 0.42 0.00 0.00 57.03 57.49 1pg2 h ASP 32 Cb 0.35 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 1pg2 h ASP 32 CO 0.00 0.78 0.25 0.58 -2.88 0.00 0.00 179.24 177.97 1pg2 h VAL 33 N 0.99 1.14 -0.27 2.25 2.07 -1.11 0.50 116.25 121.82 1pg2 h VAL 33 Ca 0.25 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1pg2 h VAL 33 Cb 0.09 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1pg2 h VAL 33 CO -0.03 0.14 0.14 -0.25 0.02 0.00 0.00 177.57 177.59 1pg2 h TRP 34 N 0.56 0.37 -0.24 1.57 7.01 -1.18 -1.79 115.95 122.26 1pg2 h TRP 34 Ca 0.15 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.15 1pg2 h TRP 34 Cb 0.01 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 26.94 1pg2 h TRP 34 CO -0.03 0.32 0.14 0.28 -2.79 0.00 0.00 178.44 176.35 1pg2 h VAL 35 N 0.31 1.02 -0.51 2.65 2.07 -0.69 -0.91 116.25 120.20 1pg2 h VAL 35 Ca 0.09 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1pg2 h VAL 35 Cb 0.07 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1pg2 h VAL 35 CO -0.01 0.05 0.23 0.03 0.02 0.00 0.00 177.57 177.89 1pg2 h ARG 36 N 0.28 0.72 -0.42 1.57 3.08 -0.77 -0.85 114.38 118.00 1pg2 h ARG 36 Ca 0.09 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 1pg2 h ARG 36 Cb -0.00 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1pg2 h ARG 36 CO -0.04 0.57 -0.12 -0.92 -1.07 0.00 0.00 179.97 178.38 1pg2 h TYR 37 N 0.72 0.93 -0.61 3.04 3.20 -0.83 -1.40 116.97 122.02 1pg2 h TYR 37 Ca 0.18 -0.21 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 1pg2 h TYR 37 Cb 0.09 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 1pg2 h TYR 37 CO 0.01 0.95 0.24 1.96 -1.64 0.00 0.00 178.16 179.67 1pg2 h GLN 38 N 0.64 0.88 -0.20 1.82 1.08 -0.57 -1.77 115.11 117.00 1pg2 h GLN 38 Ca 0.10 -0.14 -0.12 0.00 -1.45 0.00 0.00 58.65 57.04 1pg2 h GLN 38 Cb 0.66 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 1pg2 h GLN 38 CO 0.05 0.73 -0.39 0.00 -0.95 0.00 0.00 178.83 178.27 1pg2 h ARG 39 N 0.87 0.46 0.00 1.46 3.08 -0.97 -2.64 114.38 116.63 1pg2 h ARG 39 Ca 0.21 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1pg2 h ARG 39 Cb 0.18 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1pg2 h ARG 39 CO -0.02 0.77 -0.16 0.52 -1.07 0.00 0.00 179.97 180.02 1pg2 h MET 40 N 0.38 0.00 -0.29 0.04 2.86 -0.42 -1.66 114.93 115.84 1pg2 h MET 40 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1pg2 h MET 40 Cb 0.85 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.51 1pg2 h MET 40 CO 0.07 0.16 0.00 0.54 1.06 0.00 0.00 176.91 178.74 1pg2 n ARG 41 N -3.77 1.75 -0.77 1.72 5.12 -0.83 -4.46 116.66 115.42 1pg2 n ARG 41 Ca -0.02 -1.16 0.00 0.00 -1.93 0.00 0.00 57.85 54.74 1pg2 n ARG 41 Cb 0.27 -1.30 0.00 0.00 -1.16 0.00 0.00 32.46 30.27 1pg2 n ARG 41 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1pg2 n GLY 42 N 1.05 0.63 3.88 -0.13 0.00 -0.63 -4.98 105.19 105.02 1pg2 n GLY 42 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1pg2 n GLY 42 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pg2 s HIS 43 N -2.10 3.59 -0.47 1.61 3.76 -1.11 -4.80 115.29 115.77 1pg2 s HIS 43 Ca 0.00 1.16 -0.24 0.00 -0.15 0.00 0.00 55.06 55.83 1pg2 s HIS 43 Cb 0.00 -2.60 0.03 0.00 1.11 0.00 0.00 32.58 31.12 1pg2 s HIS 43 CO 0.00 -0.53 0.86 -2.00 -0.85 0.00 0.00 174.74 172.22 1pg2 s GLU 44 N -4.93 3.44 -0.07 1.40 2.12 -0.02 -4.62 118.70 116.01 1pg2 s GLU 44 Ca 0.53 -0.04 0.04 0.00 0.36 0.00 0.00 54.97 55.86 1pg2 s GLU 44 Cb -0.11 -3.95 -0.02 0.00 0.26 0.00 0.00 34.13 30.31 1pg2 s GLU 44 CO 0.49 -1.22 -0.19 0.08 -0.54 0.00 0.00 175.26 173.88 1pg2 s VAL 45 N 3.57 2.56 -0.26 3.70 1.01 -1.26 -0.28 120.40 129.44 1pg2 s VAL 45 Ca 0.33 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1pg2 s VAL 45 Cb -0.11 -1.99 0.07 0.00 0.00 0.00 0.00 36.38 34.35 1pg2 s VAL 45 CO 0.23 0.57 -0.07 0.20 0.00 0.00 0.00 175.10 176.03 1pg2 s ASN 46 N -0.24 4.31 -0.35 3.32 0.01 0.87 -4.98 114.94 117.87 1pg2 s ASN 46 Ca -0.00 -1.43 -0.13 0.00 -0.71 0.00 0.00 52.86 50.59 1pg2 s ASN 46 Cb -0.13 -1.44 -0.01 0.00 0.41 0.00 0.00 41.25 40.08 1pg2 s ASN 46 CO 0.03 -0.23 0.25 0.12 -1.51 0.00 0.00 177.10 175.76 1pg2 s PHE 47 N 1.17 3.23 0.03 2.20 5.36 -1.26 -0.10 117.98 128.61 1pg2 s PHE 47 Ca -0.05 -0.30 0.08 0.00 -0.96 0.00 0.00 56.93 55.70 1pg2 s PHE 47 Cb -0.20 -2.50 -0.02 0.00 -0.34 0.00 0.00 43.02 39.96 1pg2 s PHE 47 CO -0.06 -0.41 -0.22 0.42 -1.46 0.00 0.00 175.22 173.49 1pg2 s ILE 48 N 1.71 1.80 0.29 3.12 -1.09 0.75 -0.02 121.20 127.75 1pg2 s ILE 48 Ca 0.06 -1.17 -0.07 0.00 -2.23 0.00 0.00 60.65 57.23 1pg2 s ILE 48 Cb -0.18 -1.54 0.03 0.00 -1.58 0.00 0.00 42.46 39.19 1pg2 s ILE 48 CO 0.10 0.32 0.51 0.00 -1.23 0.00 0.00 174.94 174.64 1pg2 s ALA 50 N -2.09 -2.29 0.14 0.00 0.00 -1.26 -1.38 121.76 114.88 1pg2 s ALA 50 Ca 0.16 1.62 -0.24 0.00 0.00 0.00 0.00 51.96 53.50 1pg2 s ALA 50 Cb -0.03 -0.20 -0.08 0.00 0.00 0.00 0.00 23.12 22.81 1pg2 s ALA 50 CO 0.12 -0.70 0.73 -0.51 0.00 0.00 0.00 175.76 175.40 1pg2 s ASP 51 N -2.32 7.32 -0.60 0.00 1.11 -1.02 -3.46 116.67 117.70 1pg2 s ASP 51 Ca 0.13 1.56 -0.21 0.00 0.18 0.00 0.00 52.55 54.20 1pg2 s ASP 51 Cb 0.02 -2.47 0.07 0.00 1.07 0.00 0.00 42.92 41.61 1pg2 s ASP 51 CO -0.04 0.21 0.83 -0.62 1.18 0.00 0.00 175.17 176.74 1pg2 s ASP 52 N -1.08 6.21 -0.14 0.27 -1.08 0.68 -1.66 116.67 119.86 1pg2 s ASP 52 Ca 0.34 -1.01 0.16 0.00 -0.52 0.00 0.00 52.55 51.52 1pg2 s ASP 52 Cb -0.22 -2.37 0.58 0.00 -1.46 0.00 0.00 42.92 39.45 1pg2 s ASP 52 CO 0.25 -1.23 1.49 0.00 0.52 0.00 0.00 175.17 176.20 1pg2 n ALA 53 N 7.04 3.00 -2.56 3.66 0.00 -1.26 -1.63 120.51 128.77 1pg2 n ALA 53 Ca -0.05 -1.86 -0.28 0.00 0.00 0.00 0.00 53.44 51.24 1pg2 n ALA 53 Cb 0.45 -0.80 -0.07 0.00 0.00 0.00 0.00 19.45 19.03 1pg2 n ALA 53 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1pg2 s HIS 54 N -2.24 2.19 0.00 0.00 3.76 -1.26 -4.90 115.29 112.83 1pg2 s HIS 54 Ca 0.43 -0.76 0.00 0.00 -0.15 0.00 0.00 55.06 54.58 1pg2 s HIS 54 Cb 0.31 -1.82 0.00 0.00 1.11 0.00 0.00 32.58 32.18 1pg2 s HIS 54 CO 0.15 0.12 0.00 0.41 -0.85 0.00 0.00 174.74 174.57 1pg2 n GLY 55 N -1.30 -2.58 0.37 -2.22 0.00 -0.47 -4.30 105.19 94.70 1pg2 n GLY 55 Ca -0.07 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1pg2 n GLY 55 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1pg2 h THR 56 N 0.00 1.18 -0.76 2.61 2.02 -1.98 -1.29 112.91 114.69 1pg2 h THR 56 Ca 0.00 -0.43 0.11 0.00 0.77 0.00 0.00 66.41 66.86 1pg2 h THR 56 Cb 0.00 -0.19 -0.08 0.00 -1.74 0.00 0.00 68.15 66.14 1pg2 h THR 56 CO 0.00 0.23 0.38 -0.65 0.37 0.00 0.00 175.52 175.85 1pg2 h PRO 57 N 1.26 0.60 0.02 6.66 0.11 -2.00 0.25 132.00 138.90 1pg2 h PRO 57 Ca 0.39 -0.04 -0.21 0.00 0.11 0.00 0.00 66.00 66.25 1pg2 h PRO 57 Cb -0.01 -0.13 0.02 0.00 0.11 0.00 0.00 31.00 30.98 1pg2 h PRO 57 CO -0.12 0.39 -0.84 0.82 -0.21 0.00 0.00 178.00 178.04 1pg2 h ILE 58 N 0.61 1.36 -0.47 4.15 5.03 -1.66 -2.99 117.51 123.54 1pg2 h ILE 58 Ca 0.39 -2.20 0.03 0.00 -0.12 0.00 0.00 64.86 62.96 1pg2 h ILE 58 Cb 0.46 2.54 -0.03 0.00 -3.03 0.00 0.00 36.82 36.76 1pg2 h ILE 58 CO -0.30 0.66 0.27 0.24 -0.68 0.00 0.00 178.15 178.34 1pg2 h MET 59 N 0.12 0.52 0.21 2.37 2.86 -0.79 -0.60 114.93 119.62 1pg2 h MET 59 Ca -0.11 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1pg2 h MET 59 Cb 1.53 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 33.08 1pg2 h MET 59 CO 0.17 0.35 -0.10 1.25 1.06 0.00 0.00 176.91 179.63 1pg2 h LEU 60 N 0.54 -0.24 -0.47 1.22 6.46 -0.58 -2.11 115.31 120.12 1pg2 h LEU 60 Ca 0.19 -0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.96 1pg2 h LEU 60 Cb 0.04 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.00 1pg2 h LEU 60 CO -0.10 -0.16 0.31 0.11 -0.62 0.00 0.00 178.44 177.99 1pg2 h LYS 61 N -0.29 0.62 -0.86 1.25 6.56 -1.37 -2.18 116.57 120.30 1pg2 h LYS 61 Ca -0.03 -0.04 0.11 0.00 -1.06 0.00 0.00 60.65 59.64 1pg2 h LYS 61 Cb 0.22 -0.14 -0.08 0.00 -0.57 0.00 0.00 32.23 31.66 1pg2 h LYS 61 CO 0.05 0.41 0.49 0.00 -2.06 0.00 0.00 179.45 178.34 1pg2 h ALA 62 N 1.17 1.26 0.05 3.86 0.00 -0.97 -2.35 119.26 122.29 1pg2 h ALA 62 Ca 0.17 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1pg2 h ALA 62 Cb -0.07 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1pg2 h ALA 62 CO -0.04 0.07 -0.02 1.96 0.00 0.00 0.00 179.25 181.22 1pg2 h GLN 63 N 0.78 -0.06 -0.58 0.00 4.20 -0.89 -0.49 115.11 118.07 1pg2 h GLN 63 Ca 0.43 0.00 0.09 0.00 0.06 0.00 0.00 58.65 59.23 1pg2 h GLN 63 Cb 0.46 0.01 -0.11 0.00 0.30 0.00 0.00 27.48 28.15 1pg2 h GLN 63 CO -0.28 0.10 -0.43 1.96 -0.67 0.00 0.00 178.83 179.51 1pg2 h GLN 64 N -0.20 -0.22 -0.81 1.46 4.20 -0.85 0.12 115.11 118.81 1pg2 h GLN 64 Ca -0.01 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1pg2 h GLN 64 Cb 0.18 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 1pg2 h GLN 64 CO 0.01 -0.14 0.06 1.47 -0.67 0.00 0.00 178.83 179.55 1pg2 n LEU 65 N -5.41 3.79 -3.77 1.46 -0.00 -1.16 -4.94 117.00 106.97 1pg2 n LEU 65 Ca 0.02 -1.93 -0.29 0.00 -0.00 0.00 0.00 56.01 53.81 1pg2 n LEU 65 Cb 0.35 -0.61 0.01 0.00 -0.00 0.00 0.00 43.42 43.17 1pg2 n LEU 65 CO -0.01 0.51 -0.13 0.61 -0.00 0.00 0.00 177.39 178.36 1pg2 n GLY 66 N 0.22 -1.13 3.20 1.47 0.00 0.43 -5.00 105.19 104.37 1pg2 n GLY 66 Ca 0.18 0.50 -0.12 0.00 0.00 0.00 0.00 46.02 46.57 1pg2 n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pg2 s ILE 67 N -3.21 0.08 0.38 -0.61 1.01 -0.21 -5.04 121.20 113.60 1pg2 s ILE 67 Ca 0.21 -0.62 -0.26 0.00 0.00 0.00 0.00 60.65 59.97 1pg2 s ILE 67 Cb -0.10 -0.66 -0.09 0.00 0.01 0.00 0.00 42.46 41.63 1pg2 s ILE 67 CO 0.90 -0.34 1.15 0.42 0.00 0.00 0.00 174.94 177.06 1pg2 s THR 68 N -1.70 3.25 0.22 2.92 -4.23 -1.26 -4.30 115.64 110.54 1pg2 s THR 68 Ca -0.11 1.08 -0.09 0.00 -1.18 0.00 0.00 61.69 61.39 1pg2 s THR 68 Cb -0.05 -3.62 0.17 0.00 1.34 0.00 0.00 72.50 70.35 1pg2 s THR 68 CO 0.01 0.12 1.72 -0.65 -0.54 0.00 0.00 174.62 175.28 1pg2 h PRO 69 N 2.84 0.31 -0.84 3.99 0.11 -1.91 -0.81 132.00 135.70 1pg2 h PRO 69 Ca -0.48 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.66 1pg2 h PRO 69 Cb 1.23 -0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.21 1pg2 h PRO 69 CO 0.63 0.21 0.55 1.05 -0.21 0.00 0.00 178.00 180.23 1pg2 h GLU 70 N 0.32 0.93 -0.09 1.05 9.09 -1.97 0.32 114.58 124.24 1pg2 h GLU 70 Ca 0.33 -0.06 -0.06 0.00 0.05 0.00 0.00 59.36 59.63 1pg2 h GLU 70 Cb 0.49 -0.21 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 1pg2 h GLU 70 CO -0.39 0.62 -0.17 0.37 0.05 0.00 0.00 179.01 179.49 1pg2 h GLN 71 N 0.96 0.27 0.13 1.06 4.15 -1.69 -2.84 115.11 117.15 1pg2 h GLN 71 Ca 0.35 -0.18 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 1pg2 h GLN 71 Cb 0.17 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1pg2 h GLN 71 CO -0.12 0.77 -0.06 1.98 -1.93 0.00 0.00 178.83 179.46 1pg2 h MET 72 N -0.19 -0.17 -0.03 1.69 4.05 -0.56 -2.26 114.93 117.46 1pg2 h MET 72 Ca 0.00 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1pg2 h MET 72 Cb 0.76 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.60 1pg2 h MET 72 CO 0.04 -0.05 0.02 -0.84 0.23 0.00 0.00 176.91 176.31 1pg2 h ILE 73 N -0.25 1.01 -0.14 1.77 3.07 -0.48 0.10 117.51 122.58 1pg2 h ILE 73 Ca -0.02 -0.01 -0.02 0.00 1.55 0.00 0.00 64.86 66.36 1pg2 h ILE 73 Cb 0.20 0.96 -0.01 0.00 -0.27 0.00 0.00 36.82 37.71 1pg2 h ILE 73 CO 0.03 0.01 0.01 1.23 -1.05 0.00 0.00 178.15 178.38 1pg2 h GLY 74 N 0.04 0.27 1.22 0.16 0.00 -1.21 0.02 103.07 103.56 1pg2 h GLY 74 Ca 0.01 -0.19 -0.12 0.00 0.00 0.00 0.00 47.33 47.03 1pg2 h GLY 74 CO -0.00 0.17 -0.19 0.83 0.00 0.00 0.00 176.54 177.36 1pg2 h GLU 75 N 0.00 0.90 -0.43 4.80 5.08 -0.77 -2.73 114.58 121.43 1pg2 h GLU 75 Ca 0.04 -0.36 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 1pg2 h GLU 75 Cb 0.34 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1pg2 h GLU 75 CO 0.01 1.00 0.18 0.52 -1.00 0.00 0.00 179.01 179.72 1pg2 h MET 76 N 0.79 0.63 -0.47 2.33 2.86 -0.74 -1.45 114.93 118.88 1pg2 h MET 76 Ca 0.11 -0.11 0.06 0.00 -2.06 0.00 0.00 59.70 57.70 1pg2 h MET 76 Cb 0.73 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.23 1pg2 h MET 76 CO 0.06 0.58 0.18 1.03 1.06 0.00 0.00 176.91 179.82 1pg2 h SER 77 N 0.55 0.21 -0.59 1.22 0.87 -0.88 0.84 113.55 115.77 1pg2 h SER 77 Ca 0.14 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.70 1pg2 h SER 77 Cb 0.18 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 1pg2 h SER 77 CO -0.01 0.15 0.16 1.56 -0.53 0.00 0.00 176.83 178.16 1pg2 h GLN 78 N 0.37 0.92 -0.34 2.24 1.08 -1.26 -1.40 115.11 116.72 1pg2 h GLN 78 Ca 0.22 -0.21 -0.04 0.00 -1.45 0.00 0.00 58.65 57.17 1pg2 h GLN 78 Cb 0.21 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 1pg2 h GLN 78 CO -0.21 0.84 0.04 1.49 -0.95 0.00 0.00 178.83 180.04 1pg2 h GLU 79 N 0.84 0.57 -0.09 1.46 4.81 -0.82 -1.38 114.58 119.97 1pg2 h GLU 79 Ca 0.19 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1pg2 h GLU 79 Cb 0.31 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 1pg2 h GLU 79 CO -0.00 0.66 0.06 0.45 -0.73 0.00 0.00 179.01 179.44 1pg2 h HIS 80 N 0.40 0.11 -0.37 0.92 3.86 -0.73 -2.13 115.15 117.21 1pg2 h HIS 80 Ca 0.10 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.27 1pg2 h HIS 80 Cb 0.37 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 1pg2 h HIS 80 CO 0.03 0.10 0.05 1.96 0.86 0.00 0.00 177.93 180.93 1pg2 h GLN 81 N 0.10 0.56 -0.38 2.45 4.20 -1.18 -1.00 115.11 119.85 1pg2 h GLN 81 Ca 0.03 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1pg2 h GLN 81 Cb 0.02 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 1pg2 h GLN 81 CO -0.01 0.55 0.15 1.15 -0.67 0.00 0.00 178.83 180.00 1pg2 h THR 82 N 0.55 1.20 -0.39 -0.54 2.02 -1.01 -0.47 112.91 114.26 1pg2 h THR 82 Ca 0.12 -0.61 -0.03 0.00 0.77 0.00 0.00 66.41 66.66 1pg2 h THR 82 Cb 0.27 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1pg2 h THR 82 CO 0.00 0.22 0.12 0.44 0.37 0.00 0.00 175.52 176.67 1pg2 h ASP 83 N 0.47 0.57 -0.24 4.18 3.45 -0.85 -0.58 116.42 123.42 1pg2 h ASP 83 Ca 0.13 -0.21 -0.07 0.00 0.43 0.00 0.00 57.03 57.30 1pg2 h ASP 83 Cb 0.20 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.80 1pg2 h ASP 83 CO -0.01 0.63 -0.08 -0.26 -1.57 0.00 0.00 179.24 177.95 1pg2 h PHE 84 N 0.48 0.65 -0.25 4.55 0.05 -1.12 -1.93 116.94 119.37 1pg2 h PHE 84 Ca 0.12 -0.09 -0.09 0.00 3.82 0.00 0.00 57.97 61.73 1pg2 h PHE 84 Cb 0.27 -0.18 -0.01 0.00 2.00 0.00 0.00 35.95 38.03 1pg2 h PHE 84 CO 0.01 0.67 -0.24 0.00 -0.18 0.00 0.00 178.31 178.57 1pg2 h ALA 85 N 1.36 1.12 0.00 2.45 0.00 -0.79 -1.66 119.26 121.74 1pg2 h ALA 85 Ca 0.11 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1pg2 h ALA 85 Cb 0.48 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1pg2 h ALA 85 CO 0.03 0.55 -0.15 0.78 0.00 0.00 0.00 179.25 180.46 1pg2 h GLY 86 N 1.01 0.00 -2.32 0.00 0.00 -0.34 -1.37 103.07 100.05 1pg2 h GLY 86 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1pg2 h GLY 86 CO 0.05 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.28 1pg2 n PHE 87 N -3.68 0.70 -3.60 5.60 3.01 -0.84 -4.64 117.46 114.01 1pg2 n PHE 87 Ca -0.02 -0.35 -0.23 0.00 1.01 0.00 0.00 57.45 57.86 1pg2 n PHE 87 Cb 0.27 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.81 1pg2 n PHE 87 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1pg2 n ASN 88 N 1.42 -4.87 -4.59 4.37 3.02 -0.52 -4.94 115.26 109.16 1pg2 n ASN 88 Ca 0.21 -0.60 -0.43 0.00 -0.03 0.00 0.00 54.58 53.73 1pg2 n ASN 88 Cb 0.57 -4.87 -0.03 0.00 -0.61 0.00 0.00 39.78 34.85 1pg2 n ASN 88 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1pg2 s ILE 89 N -3.35 4.39 -0.71 2.41 -1.09 -0.68 -4.94 121.20 117.23 1pg2 s ILE 89 Ca 0.42 1.11 -0.07 0.00 -2.23 0.00 0.00 60.65 59.88 1pg2 s ILE 89 Cb -0.19 -4.48 -0.17 0.00 -1.58 0.00 0.00 42.46 36.04 1pg2 s ILE 89 CO 0.75 -0.82 3.08 -1.54 -1.23 0.00 0.00 174.94 175.18 1pg2 n SER 90 N 7.34 6.31 -4.76 3.58 3.41 -1.26 -4.72 113.62 123.52 1pg2 n SER 90 Ca 0.09 -2.45 -0.39 0.00 -0.26 0.00 0.00 58.87 55.86 1pg2 n SER 90 Cb 0.48 -1.37 0.01 0.00 -0.26 0.00 0.00 64.21 63.07 1pg2 n SER 90 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1pg2 s TYR 91 N 1.78 2.66 -0.19 7.33 1.51 -1.26 -4.80 117.35 124.37 1pg2 s TYR 91 Ca 0.62 1.42 0.19 0.00 -1.01 0.00 0.00 57.07 58.29 1pg2 s TYR 91 Cb 0.23 -3.64 -0.01 0.00 -0.11 0.00 0.00 41.96 38.43 1pg2 s TYR 91 CO -0.03 -2.21 1.10 -0.44 -1.11 0.00 0.00 175.55 172.86 1pg2 h ASP 92 N 2.15 0.00 -3.45 2.29 3.32 -0.82 -3.46 116.42 116.44 1pg2 h ASP 92 Ca -0.50 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.53 1pg2 h ASP 92 Cb 1.26 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.60 1pg2 h ASP 92 CO 0.60 0.33 0.04 0.21 -1.72 0.00 0.00 179.24 178.71 1pg2 s ASN 93 N -5.84 -0.83 -0.21 6.45 3.04 -1.17 -5.03 114.94 111.35 1pg2 s ASN 93 Ca 0.00 1.44 -0.00 0.00 0.04 0.00 0.00 52.86 54.34 1pg2 s ASN 93 Cb 0.08 1.37 0.06 0.00 -1.54 0.00 0.00 41.25 41.22 1pg2 s ASN 93 CO 0.78 -0.24 -0.04 -0.47 -3.04 0.00 0.00 177.10 174.09 1pg2 s TYR 94 N 1.06 2.08 0.00 0.43 5.04 -1.26 -1.86 117.35 122.84 1pg2 s TYR 94 Ca -0.06 -1.50 0.00 0.00 -2.44 0.00 0.00 57.07 53.08 1pg2 s TYR 94 Cb -0.05 -1.46 0.00 0.00 0.35 0.00 0.00 41.96 40.80 1pg2 s TYR 94 CO -0.10 -0.72 0.00 1.58 -1.34 0.00 0.00 175.55 174.96 1pg2 n HIS 95 N 4.76 0.00 -3.70 4.97 -0.00 -0.48 -4.90 115.22 115.87 1pg2 n HIS 95 Ca -0.12 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 57.92 1pg2 n HIS 95 Cb 0.45 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.24 1pg2 n HIS 95 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1pg2 s SER 96 N 0.41 -0.33 0.32 0.26 0.15 -1.26 -2.42 113.70 110.83 1pg2 s SER 96 Ca 0.00 0.29 0.26 0.00 0.70 0.00 0.00 55.95 57.20 1pg2 s SER 96 Cb 0.00 0.41 0.78 0.00 -1.71 0.00 0.00 66.02 65.49 1pg2 s SER 96 CO 0.00 -0.47 1.74 0.71 1.20 0.00 0.00 173.24 176.42 1pg2 h THR 97 N 3.68 0.00 -3.10 6.45 1.35 -1.66 -3.34 112.91 116.30 1pg2 h THR 97 Ca -0.29 -0.58 -0.79 0.00 -0.55 0.00 0.00 66.41 64.21 1pg2 h THR 97 Cb 1.17 1.53 -0.25 0.00 -1.73 0.00 0.00 68.15 68.87 1pg2 h THR 97 CO 0.39 0.00 0.76 1.57 -0.25 0.00 0.00 175.52 177.98 1pg2 n HIS 98 N -2.57 4.82 -3.86 4.73 -0.00 -1.26 -4.67 115.22 112.40 1pg2 n HIS 98 Ca 0.04 -3.61 -0.09 0.00 -0.00 0.00 0.00 57.72 54.06 1pg2 n HIS 98 Cb 0.41 -1.78 -0.06 0.00 -0.00 0.00 0.00 29.99 28.56 1pg2 n HIS 98 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1pg2 s SER 99 N 1.30 -0.02 0.24 0.26 1.04 -1.25 -5.04 113.70 110.22 1pg2 s SER 99 Ca 0.34 -0.69 -0.04 0.00 0.48 0.00 0.00 55.95 56.04 1pg2 s SER 99 Cb -0.06 0.44 0.26 0.00 0.10 0.00 0.00 66.02 66.76 1pg2 s SER 99 CO -0.04 -0.87 1.77 -0.33 0.98 0.00 0.00 173.24 174.75 1pg2 h GLU 100 N 2.52 0.97 -0.30 4.02 4.39 -1.92 -1.32 114.58 122.93 1pg2 h GLU 100 Ca -0.32 -0.22 0.01 0.00 0.34 0.00 0.00 59.36 59.17 1pg2 h GLU 100 Cb 1.23 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.73 1pg2 h GLU 100 CO 0.48 0.87 0.17 0.93 -1.16 0.00 0.00 179.01 180.31 1pg2 h GLU 101 N 0.93 0.35 -0.17 2.33 3.07 -1.94 -0.82 114.58 118.32 1pg2 h GLU 101 Ca 0.20 -0.02 -0.13 0.00 -0.50 0.00 0.00 59.36 58.91 1pg2 h GLU 101 Cb 0.35 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1pg2 h GLU 101 CO 0.00 0.23 -0.44 -0.97 -1.40 0.00 0.00 179.01 176.43 1pg2 h ASN 102 N 0.36 0.43 -0.37 1.42 -0.00 -1.79 -2.10 115.58 113.53 1pg2 h ASN 102 Ca 0.12 -0.19 -0.04 0.00 -0.00 0.00 0.00 56.30 56.18 1pg2 h ASN 102 Cb 0.00 -0.12 -0.01 0.00 -0.00 0.00 0.00 38.32 38.19 1pg2 h ASN 102 CO -0.06 0.81 0.06 -0.09 -0.00 0.00 0.00 177.43 178.15 1pg2 h ARG 103 N 0.33 0.61 -0.47 6.67 2.43 -0.87 0.30 114.38 123.38 1pg2 h ARG 103 Ca 0.02 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 58.96 1pg2 h ARG 103 Cb 0.91 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 1pg2 h ARG 103 CO 0.08 0.67 0.01 1.96 -1.51 0.00 0.00 179.97 181.19 1pg2 h GLN 104 N 0.45 0.83 -0.10 0.20 4.20 -1.09 -1.41 115.11 118.18 1pg2 h GLN 104 Ca 0.11 -0.26 -0.14 0.00 0.06 0.00 0.00 58.65 58.43 1pg2 h GLN 104 Cb 0.36 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1pg2 h GLN 104 CO 0.01 0.87 -0.55 -0.07 -0.67 0.00 0.00 178.83 178.42 1pg2 h LEU 105 N 0.68 0.32 -0.38 1.46 3.38 -1.32 -0.40 115.31 119.05 1pg2 h LEU 105 Ca 0.14 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1pg2 h LEU 105 Cb 0.49 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1pg2 h LEU 105 CO 0.02 0.81 -0.16 0.28 0.09 0.00 0.00 178.44 179.47 1pg2 h SER 106 N 0.22 0.79 -0.34 -0.43 0.02 -0.80 -0.81 113.55 112.21 1pg2 h SER 106 Ca 0.00 -0.40 -0.11 0.00 -0.84 0.00 0.00 61.79 60.45 1pg2 h SER 106 Cb 1.03 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 1pg2 h SER 106 CO 0.09 1.01 -0.16 -0.33 -1.14 0.00 0.00 176.83 176.30 1pg2 h GLU 107 N 0.57 0.81 0.21 3.45 5.08 -1.15 -0.83 114.58 122.73 1pg2 h GLU 107 Ca 0.09 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1pg2 h GLU 107 Cb 0.71 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1pg2 h GLU 107 CO 0.05 0.91 -0.10 1.25 -1.00 0.00 0.00 179.01 180.12 1pg2 h LEU 108 N 0.72 -0.24 -0.69 1.33 5.85 -0.88 0.11 115.31 121.50 1pg2 h LEU 108 Ca 0.11 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1pg2 h LEU 108 Cb 0.66 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 1pg2 h LEU 108 CO 0.05 -0.01 0.36 0.40 -0.34 0.00 0.00 178.44 178.90 1pg2 h ILE 109 N -0.48 1.22 -0.37 4.05 2.04 -1.12 -0.44 117.51 122.41 1pg2 h ILE 109 Ca -0.03 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1pg2 h ILE 109 Cb 0.36 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1pg2 h ILE 109 CO 0.05 0.25 0.20 0.22 0.00 0.00 0.00 178.15 178.86 1pg2 h TYR 110 N 0.95 0.52 -0.82 1.37 3.20 -1.09 -0.52 116.97 120.58 1pg2 h TYR 110 Ca 0.24 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 1pg2 h TYR 110 Cb 0.07 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 1pg2 h TYR 110 CO -0.00 0.42 0.44 0.66 -1.64 0.00 0.00 178.16 178.04 1pg2 h SER 111 N 0.47 1.02 -0.20 -2.11 4.64 -0.55 -0.13 113.55 116.69 1pg2 h SER 111 Ca 0.13 -0.09 -0.17 0.00 -0.47 0.00 0.00 61.79 61.19 1pg2 h SER 111 Cb 0.08 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 61.90 1pg2 h SER 111 CO -0.02 0.82 -0.49 0.03 -0.87 0.00 0.00 176.83 176.31 1pg2 h ARG 112 N 1.15 0.78 -0.25 4.77 3.08 -0.82 -1.12 114.38 121.96 1pg2 h ARG 112 Ca 0.29 -0.46 -0.03 0.00 0.07 0.00 0.00 59.98 59.85 1pg2 h ARG 112 Cb 0.03 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1pg2 h ARG 112 CO -0.05 1.09 0.04 -0.07 -1.07 0.00 0.00 179.97 179.91 1pg2 h LEU 113 N 0.61 0.39 -0.29 3.04 3.38 -0.70 -0.21 115.31 121.54 1pg2 h LEU 113 Ca 0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1pg2 h LEU 113 Cb 1.06 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1pg2 h LEU 113 CO 0.11 0.55 0.15 0.50 0.09 0.00 0.00 178.44 179.83 1pg2 h LYS 114 N 0.22 0.41 -0.49 1.13 3.64 -1.01 0.14 116.57 120.61 1pg2 h LYS 114 Ca 0.08 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1pg2 h LYS 114 Cb 0.32 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 1pg2 h LYS 114 CO 0.00 0.37 0.20 1.49 -2.27 0.00 0.00 179.45 179.25 1pg2 h GLU 115 N 0.34 0.70 -0.03 1.90 4.81 -1.11 -1.50 114.58 119.70 1pg2 h GLU 115 Ca 0.10 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1pg2 h GLU 115 Cb 0.09 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1pg2 h GLU 115 CO -0.01 0.58 0.00 0.09 -0.73 0.00 0.00 179.01 178.93 1pg2 n ASN 116 N -4.35 0.37 0.00 1.04 5.03 -0.10 -4.91 115.26 112.34 1pg2 n ASN 116 Ca 0.04 -1.39 0.00 0.00 0.87 0.00 0.00 54.58 54.10 1pg2 n ASN 116 Cb 0.15 -0.02 0.00 0.00 -1.02 0.00 0.00 39.78 38.89 1pg2 n ASN 116 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1pg2 n GLY 117 N 0.92 0.40 1.09 7.41 0.00 -0.56 -4.96 105.19 109.48 1pg2 n GLY 117 Ca 0.17 -1.06 0.12 0.00 0.00 0.00 0.00 46.02 45.25 1pg2 n GLY 117 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1pg2 n PHE 118 N -2.96 0.51 -4.58 1.61 0.99 0.44 -4.87 117.46 108.59 1pg2 n PHE 118 Ca 0.00 -0.25 -0.33 0.00 -0.00 0.00 0.00 57.45 56.86 1pg2 n PHE 118 Cb 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 39.48 38.34 1pg2 n PHE 118 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1pg2 s ILE 119 N -1.49 3.05 0.12 4.37 -1.09 -1.25 -0.43 121.20 124.49 1pg2 s ILE 119 Ca 0.39 -0.65 0.11 0.00 -2.23 0.00 0.00 60.65 58.26 1pg2 s ILE 119 Cb 0.22 -2.30 -0.04 0.00 -1.58 0.00 0.00 42.46 38.76 1pg2 s ILE 119 CO 0.31 0.51 -0.27 -0.54 -1.23 0.00 0.00 174.94 173.72 1pg2 s LYS 120 N 0.61 1.40 -0.06 2.79 -0.14 0.40 -4.93 119.74 119.80 1pg2 s LYS 120 Ca -0.07 -1.33 0.05 0.00 -1.36 0.00 0.00 55.97 53.27 1pg2 s LYS 120 Cb -0.15 -1.87 -0.02 0.00 -1.68 0.00 0.00 37.83 34.11 1pg2 s LYS 120 CO 0.03 0.44 -0.21 -0.80 -0.76 0.00 0.00 175.35 174.05 1pg2 s ASN 121 N -2.01 3.44 -0.01 2.83 0.01 -1.26 0.57 114.94 118.52 1pg2 s ASN 121 Ca 0.13 -0.39 -0.22 0.00 -0.71 0.00 0.00 52.86 51.67 1pg2 s ASN 121 Cb -0.10 -0.84 0.05 0.00 0.41 0.00 0.00 41.25 40.76 1pg2 s ASN 121 CO 0.06 0.28 0.49 -0.13 -1.51 0.00 0.00 177.10 176.29 1pg2 s ARG 122 N -0.34 0.91 0.26 -0.60 0.52 -0.67 -4.99 118.95 114.04 1pg2 s ARG 122 Ca 0.02 -0.07 -0.06 0.00 -0.52 0.00 0.00 55.73 55.10 1pg2 s ARG 122 Cb -0.12 0.42 -0.06 0.00 0.52 0.00 0.00 34.95 35.70 1pg2 s ARG 122 CO 0.02 -0.29 0.54 0.99 0.02 0.00 0.00 175.30 176.58 1pg2 s THR 123 N -1.65 5.01 0.22 0.02 2.01 -1.26 0.05 115.64 120.04 1pg2 s THR 123 Ca -0.10 0.18 -0.09 0.00 0.31 0.00 0.00 61.69 61.99 1pg2 s THR 123 Cb -0.02 -3.69 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 1pg2 s THR 123 CO 0.04 -0.22 0.37 0.27 -0.69 0.00 0.00 174.62 174.39 1pg2 s ILE 124 N -1.97 0.01 0.28 1.82 -4.36 -0.57 -4.93 121.20 111.48 1pg2 s ILE 124 Ca 0.45 -1.55 0.10 0.00 -0.26 0.00 0.00 60.65 59.39 1pg2 s ILE 124 Cb -0.11 -2.23 -0.05 0.00 1.25 0.00 0.00 42.46 41.32 1pg2 s ILE 124 CO 0.27 -0.04 -0.05 -0.55 0.24 0.00 0.00 174.94 174.81 1pg2 s SER 125 N -3.05 4.26 0.00 4.36 0.15 -1.26 -1.60 113.70 116.56 1pg2 s SER 125 Ca 0.26 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1pg2 s SER 125 Cb 0.02 -0.67 0.00 0.00 -1.71 0.00 0.00 66.02 63.66 1pg2 s SER 125 CO 0.09 -0.02 0.00 -1.14 1.20 0.00 0.00 173.24 173.37 1pg2 n ARG 185 N -0.83 0.00 -3.58 5.44 0.63 -1.26 -5.05 116.66 112.02 1pg2 n ARG 185 Ca -0.06 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.65 1pg2 n ARG 185 Cb 0.60 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.49 1pg2 n ARG 185 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1pg2 s ASP 186 N 0.00 6.22 -0.29 6.15 -0.00 -1.26 -5.11 116.67 122.38 1pg2 s ASP 186 Ca 0.00 0.21 -0.25 0.00 -0.00 0.00 0.00 52.55 52.51 1pg2 s ASP 186 Cb 0.00 -1.81 0.15 0.00 -0.00 0.00 0.00 42.92 41.26 1pg2 s ASP 186 CO 0.00 -0.27 1.21 -0.55 -0.00 0.00 0.00 175.17 175.56 1pg2 s SER 187 N -4.05 -0.27 0.07 0.27 0.15 -0.63 -4.95 113.70 104.28 1pg2 s SER 187 Ca 0.39 0.53 -0.30 0.00 0.70 0.00 0.00 55.95 57.27 1pg2 s SER 187 Cb -0.09 0.53 -0.05 0.00 -1.71 0.00 0.00 66.02 64.70 1pg2 s SER 187 CO 0.33 -0.09 0.96 -0.70 1.20 0.00 0.00 173.24 174.93 1pg2 s GLU 188 N 0.12 4.64 0.24 5.44 2.12 -1.26 -1.51 118.70 128.49 1pg2 s GLU 188 Ca 0.05 1.42 0.10 0.00 0.36 0.00 0.00 54.97 56.89 1pg2 s GLU 188 Cb -0.05 -3.41 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 1pg2 s GLU 188 CO -0.10 0.13 -0.17 -1.01 -0.54 0.00 0.00 175.26 173.56 1pg2 s HIS 189 N 0.35 1.98 -0.12 5.30 3.76 0.11 -4.97 115.29 121.70 1pg2 s HIS 189 Ca 0.48 -0.46 -0.01 0.00 -0.15 0.00 0.00 55.06 54.92 1pg2 s HIS 189 Cb -0.22 -0.89 -0.03 0.00 1.11 0.00 0.00 32.58 32.55 1pg2 s HIS 189 CO 0.29 0.53 -0.07 -0.06 -0.85 0.00 0.00 174.74 174.58 1pg2 s PHE 190 N -2.74 2.95 0.01 1.40 0.40 -1.26 -1.66 117.98 117.08 1pg2 s PHE 190 Ca 0.26 -0.24 0.08 0.00 -0.60 0.00 0.00 56.93 56.43 1pg2 s PHE 190 Cb -0.03 -1.84 -0.02 0.00 0.51 0.00 0.00 43.02 41.64 1pg2 s PHE 190 CO 0.11 0.08 -0.25 -0.06 0.70 0.00 0.00 175.22 175.79 1pg2 s PHE 191 N -0.10 2.35 -0.12 0.36 0.40 0.19 -0.96 117.98 120.10 1pg2 s PHE 191 Ca 0.01 -0.41 -0.19 0.00 -0.60 0.00 0.00 56.93 55.74 1pg2 s PHE 191 Cb -0.13 -1.45 -0.04 0.00 0.51 0.00 0.00 43.02 41.90 1pg2 s PHE 191 CO 0.03 0.06 0.54 0.12 0.70 0.00 0.00 175.22 176.66 1pg2 s PHE 192 N -0.72 3.50 -1.52 0.36 5.36 0.75 -0.46 117.98 125.26 1pg2 s PHE 192 Ca 0.11 0.95 -0.12 0.00 -0.96 0.00 0.00 56.93 56.92 1pg2 s PHE 192 Cb -0.10 -2.64 -0.00 0.00 -0.34 0.00 0.00 43.02 39.94 1pg2 s PHE 192 CO 0.01 0.09 2.53 -3.47 -1.46 0.00 0.00 175.22 172.92 1pg2 n ASP 193 N 3.94 6.25 -0.33 6.13 2.03 0.43 -0.98 116.55 134.02 1pg2 n ASP 193 Ca -0.05 -2.76 0.11 0.00 0.52 0.00 0.00 54.79 52.61 1pg2 n ASP 193 Cb 0.51 -1.59 0.32 0.00 -0.72 0.00 0.00 41.12 39.64 1pg2 n ASP 193 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1pg2 h LEU 194 N 8.37 0.78 -1.97 -2.67 5.85 -1.87 -2.45 115.31 121.34 1pg2 h LEU 194 Ca 0.70 0.06 0.15 0.00 0.84 0.00 0.00 57.88 59.63 1pg2 h LEU 194 Cb 0.47 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1pg2 h LEU 194 CO 1.81 0.36 0.47 -0.65 -0.34 0.00 0.00 178.44 180.09 1pg2 h PRO 195 N 0.81 0.00 0.00 5.25 0.11 -1.83 -0.13 132.00 136.21 1pg2 h PRO 195 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 1pg2 h PRO 195 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1pg2 h PRO 195 CO -0.29 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 177.93 1pg2 n SER 196 N -3.87 0.00 -0.58 -2.05 7.64 -0.92 -2.89 113.62 110.95 1pg2 n SER 196 Ca 0.09 -0.26 0.06 0.00 1.01 0.00 0.00 58.87 59.77 1pg2 n SER 196 Cb 0.68 -0.20 0.11 0.00 -1.01 0.00 0.00 64.21 63.78 1pg2 n SER 196 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1pg2 n PHE 197 N -1.20 0.28 -0.08 1.43 3.01 -0.06 -4.76 117.46 116.08 1pg2 n PHE 197 Ca 0.13 -0.29 -0.07 0.00 1.01 0.00 0.00 57.45 58.23 1pg2 n PHE 197 Cb 0.16 -0.02 -0.01 0.00 -0.01 0.00 0.00 39.48 39.60 1pg2 n PHE 197 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1pg2 h SER 198 N 2.16 -0.75 -0.52 4.37 0.02 -1.62 -0.34 113.55 116.88 1pg2 h SER 198 Ca 0.00 0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1pg2 h SER 198 Cb 0.63 0.37 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 1pg2 h SER 198 CO 0.00 -0.26 0.30 -0.08 -1.14 0.00 0.00 176.83 175.65 1pg2 h GLU 199 N -0.20 0.71 -0.60 3.45 4.81 -1.86 0.32 114.58 121.22 1pg2 h GLU 199 Ca 0.16 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1pg2 h GLU 199 Cb 0.45 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 1pg2 h GLU 199 CO -0.42 0.53 0.25 1.98 -0.73 0.00 0.00 179.01 180.62 1pg2 h MET 200 N 0.70 0.88 -0.69 1.92 4.05 -1.83 -1.56 114.93 118.40 1pg2 h MET 200 Ca 0.19 -0.15 -0.06 0.00 -0.28 0.00 0.00 59.70 59.39 1pg2 h MET 200 Cb 0.01 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.64 1pg2 h MET 200 CO -0.03 0.75 0.18 -0.07 0.23 0.00 0.00 176.91 177.96 1pg2 h LEU 201 N 0.82 1.03 -0.16 3.39 3.38 -0.78 -0.19 115.31 122.81 1pg2 h LEU 201 Ca 0.20 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1pg2 h LEU 201 Cb 0.18 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1pg2 h LEU 201 CO -0.02 0.98 0.09 1.56 0.09 0.00 0.00 178.44 181.14 1pg2 h GLN 202 N 1.04 0.18 -0.25 1.13 1.08 -0.57 0.29 115.11 118.01 1pg2 h GLN 202 Ca 0.22 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 1pg2 h GLN 202 Cb 0.35 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 1pg2 h GLN 202 CO -0.00 0.12 0.12 0.00 -0.95 0.00 0.00 178.83 178.11 1pg2 h ALA 203 N 1.07 0.32 -0.56 3.87 0.00 -1.03 -1.76 119.26 121.17 1pg2 h ALA 203 Ca 0.06 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1pg2 h ALA 203 Cb -0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1pg2 h ALA 203 CO -0.03 -0.12 0.37 2.35 0.00 0.00 0.00 179.25 181.82 1pg2 h TRP 204 N 0.27 0.70 -0.83 0.00 7.01 -0.82 -2.52 115.95 119.76 1pg2 h TRP 204 Ca 0.08 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.13 1pg2 h TRP 204 Cb 0.12 -0.24 -0.05 0.00 -2.10 0.00 0.00 29.16 26.90 1pg2 h TRP 204 CO -0.02 0.44 0.53 1.15 -2.79 0.00 0.00 178.44 177.75 1pg2 h THR 205 N 0.76 1.13 -0.22 2.65 2.02 -0.24 -2.51 112.91 116.49 1pg2 h THR 205 Ca 0.20 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1pg2 h THR 205 Cb -0.09 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.33 1pg2 h THR 205 CO -0.04 0.19 0.00 0.54 0.37 0.00 0.00 175.52 176.57 1pg2 n ARG 206 N -4.57 2.02 -0.50 6.66 1.74 -0.68 -4.38 116.66 116.95 1pg2 n ARG 206 Ca 0.10 -1.02 -0.07 0.00 -0.77 0.00 0.00 57.85 56.10 1pg2 n ARG 206 Cb 0.09 -1.52 0.11 0.00 -1.02 0.00 0.00 32.46 30.11 1pg2 n ARG 206 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1pg2 n SER 207 N 0.23 3.27 -0.55 0.55 7.64 -0.95 -4.88 113.62 118.94 1pg2 n SER 207 Ca 0.09 -2.63 -0.07 0.00 1.01 0.00 0.00 58.87 57.27 1pg2 n SER 207 Cb 0.42 -0.63 -0.03 0.00 -1.01 0.00 0.00 64.21 62.96 1pg2 n SER 207 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pg2 n GLY 208 N -0.09 0.78 0.11 0.23 0.00 -1.26 -4.88 105.19 100.08 1pg2 n GLY 208 Ca 0.23 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 1pg2 n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg2 n ALA 209 N 1.13 0.93 -1.16 4.61 0.00 -1.26 -5.01 120.51 119.75 1pg2 n ALA 209 Ca -0.07 -0.77 -0.33 0.00 0.00 0.00 0.00 53.44 52.27 1pg2 n ALA 209 Cb 0.47 -0.15 0.11 0.00 0.00 0.00 0.00 19.45 19.89 1pg2 n ALA 209 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pg2 s LEU 210 N -7.77 3.16 0.38 0.00 1.43 -1.26 -4.91 118.68 109.71 1pg2 s LEU 210 Ca -0.31 2.28 -0.27 0.00 -1.03 0.00 0.00 54.13 54.79 1pg2 s LEU 210 Cb 0.09 -4.58 -0.09 0.00 0.03 0.00 0.00 46.19 41.64 1pg2 s LEU 210 CO 0.49 -2.50 1.31 -1.10 0.23 0.00 0.00 176.35 174.78 1pg2 s GLN 211 N -4.19 4.11 0.18 1.70 -0.21 -1.26 -4.77 119.66 115.22 1pg2 s GLN 211 Ca 0.71 2.18 -0.16 0.00 0.02 0.00 0.00 55.36 58.12 1pg2 s GLN 211 Cb -0.27 -2.87 0.14 0.00 1.00 0.00 0.00 33.01 31.02 1pg2 s GLN 211 CO 0.50 -0.39 1.65 1.49 -2.12 0.00 0.00 175.29 176.42 1pg2 h GLU 212 N 2.93 -0.02 -0.50 2.91 4.81 -1.95 0.21 114.58 122.97 1pg2 h GLU 212 Ca -0.49 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 58.80 1pg2 h GLU 212 Cb 1.24 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 1pg2 h GLU 212 CO 0.64 -0.01 0.34 1.96 -0.73 0.00 0.00 179.01 181.20 1pg2 h GLN 213 N -0.02 0.43 0.01 1.92 4.20 -1.98 -0.75 115.11 118.92 1pg2 h GLN 213 Ca 0.23 -0.03 -0.15 0.00 0.06 0.00 0.00 58.65 58.76 1pg2 h GLN 213 Cb 0.37 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.07 1pg2 h GLN 213 CO -0.50 0.29 -0.60 0.28 -0.67 0.00 0.00 178.83 177.62 1pg2 h VAL 214 N 0.45 1.44 -0.81 -0.54 2.07 -1.29 -2.47 116.25 115.10 1pg2 h VAL 214 Ca 0.22 -2.11 0.04 0.00 0.82 0.00 0.00 66.70 65.67 1pg2 h VAL 214 Cb 0.30 2.65 -0.05 0.00 -1.52 0.00 0.00 31.29 32.67 1pg2 h VAL 214 CO -0.06 0.61 0.53 0.00 0.02 0.00 0.00 177.57 178.67 1pg2 h ALA 215 N 0.30 1.53 -0.25 1.67 0.00 -0.13 -1.13 119.26 121.25 1pg2 h ALA 215 Ca -0.08 -0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 1pg2 h ALA 215 Cb 1.32 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1pg2 h ALA 215 CO 0.12 0.38 -0.56 -0.91 0.00 0.00 0.00 179.25 178.28 1pg2 h ASN 216 N 0.97 0.86 -0.64 0.00 -0.26 -1.19 -2.75 115.58 112.57 1pg2 h ASN 216 Ca 0.33 -0.46 -0.06 0.00 -0.56 0.00 0.00 56.30 55.54 1pg2 h ASN 216 Cb 0.08 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 37.07 1pg2 h ASN 216 CO -0.10 1.24 0.16 0.50 -1.06 0.00 0.00 177.43 178.17 1pg2 h LYS 217 N 0.59 1.02 -0.71 0.81 1.63 -0.89 -2.67 116.57 116.34 1pg2 h LYS 217 Ca 0.01 -0.24 -0.03 0.00 -0.85 0.00 0.00 60.65 59.54 1pg2 h LYS 217 Cb 1.15 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 32.61 1pg2 h LYS 217 CO 0.12 0.92 0.33 0.52 -3.45 0.00 0.00 179.45 177.88 1pg2 h MET 218 N 0.94 1.02 -0.84 1.90 2.86 -1.20 -2.10 114.93 117.51 1pg2 h MET 218 Ca 0.20 -0.15 0.05 0.00 -2.06 0.00 0.00 59.70 57.75 1pg2 h MET 218 Cb 0.35 -0.19 -0.05 0.00 0.06 0.00 0.00 31.60 31.77 1pg2 h MET 218 CO 0.00 0.80 0.55 1.96 1.06 0.00 0.00 176.91 181.28 1pg2 h GLN 219 N 1.01 0.94 -0.80 1.72 1.08 -1.17 0.21 115.11 118.10 1pg2 h GLN 219 Ca 0.25 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.35 1pg2 h GLN 219 Cb 0.12 -0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 27.30 1pg2 h GLN 219 CO -0.03 0.62 0.35 0.93 -0.95 0.00 0.00 178.83 179.75 1pg2 h GLU 220 N 0.97 1.18 -0.32 1.46 5.08 -1.25 -1.06 114.58 120.64 1pg2 h GLU 220 Ca 0.35 -0.19 -0.14 0.00 -1.00 0.00 0.00 59.36 58.38 1pg2 h GLU 220 Cb 0.16 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1pg2 h GLU 220 CO -0.12 0.93 -0.37 -1.49 -1.00 0.00 0.00 179.01 176.97 1pg2 h TRP 221 N 1.16 0.89 -0.49 4.33 6.55 -0.61 -2.07 115.95 125.71 1pg2 h TRP 221 Ca 0.27 -0.25 -0.08 0.00 0.95 0.00 0.00 58.89 59.78 1pg2 h TRP 221 Cb 0.17 -0.19 -0.02 0.00 -0.86 0.00 0.00 29.16 28.26 1pg2 h TRP 221 CO 0.02 1.01 -0.02 0.74 -1.05 0.00 0.00 178.44 179.14 1pg2 h PHE 222 N 0.62 0.89 -0.12 0.49 0.05 -0.31 -2.45 116.94 116.11 1pg2 h PHE 222 Ca 0.06 -0.13 -0.13 0.00 3.82 0.00 0.00 57.97 61.59 1pg2 h PHE 222 Cb 0.91 -0.24 -0.01 0.00 2.00 0.00 0.00 35.95 38.61 1pg2 h PHE 222 CO 0.05 0.83 -0.47 0.93 -0.18 0.00 0.00 178.31 179.46 1pg2 h GLU 223 N 0.77 0.31 0.00 1.51 5.08 -1.06 -2.45 114.58 118.74 1pg2 h GLU 223 Ca 0.15 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1pg2 h GLU 223 Cb 0.49 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1pg2 h GLU 223 CO 0.02 0.72 0.00 0.43 -1.00 0.00 0.00 179.01 179.18 1pg2 n SER 224 N -3.98 0.68 -0.12 1.42 7.64 -0.79 -4.99 113.62 113.48 1pg2 n SER 224 Ca -0.02 0.62 0.00 0.00 1.01 0.00 0.00 58.87 60.49 1pg2 n SER 224 Cb 0.53 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 1pg2 n SER 224 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pg2 n GLY 225 N 0.49 -2.00 3.80 0.23 0.00 -0.92 -5.00 105.19 101.78 1pg2 n GLY 225 Ca 0.03 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 1pg2 n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pg2 s LEU 226 N -0.47 4.05 0.29 0.99 1.43 -1.26 -4.94 118.68 118.76 1pg2 s LEU 226 Ca 0.00 1.86 0.07 0.00 -1.03 0.00 0.00 54.13 55.03 1pg2 s LEU 226 Cb 0.00 -4.35 -0.06 0.00 0.03 0.00 0.00 46.19 41.81 1pg2 s LEU 226 CO 0.00 -0.43 -0.07 -1.10 0.23 0.00 0.00 176.35 174.98 1pg2 s GLN 227 N -2.80 1.62 0.48 1.70 -0.21 -1.26 -4.65 119.66 114.54 1pg2 s GLN 227 Ca 0.60 -1.82 -0.22 0.00 0.02 0.00 0.00 55.36 53.94 1pg2 s GLN 227 Cb -0.16 -1.29 -0.07 0.00 1.00 0.00 0.00 33.01 32.49 1pg2 s GLN 227 CO 0.20 0.07 1.18 -0.65 -2.12 0.00 0.00 175.29 173.97 1pg2 s GLN 228 N -3.70 3.61 -0.20 2.91 -0.21 -1.26 -4.36 119.66 116.46 1pg2 s GLN 228 Ca 0.30 1.80 -0.05 0.00 0.02 0.00 0.00 55.36 57.43 1pg2 s GLN 228 Cb 0.03 -2.32 -0.02 0.00 1.00 0.00 0.00 33.01 31.70 1pg2 s GLN 228 CO 0.13 -0.68 -0.01 -0.46 -2.12 0.00 0.00 175.29 172.15 1pg2 s TRP 229 N -1.55 3.02 -0.40 0.91 -0.00 -0.15 -4.87 118.94 115.89 1pg2 s TRP 229 Ca 0.66 -0.52 -0.28 0.00 -0.00 0.00 0.00 56.10 55.96 1pg2 s TRP 229 Cb -0.29 -2.07 -0.01 0.00 -0.00 0.00 0.00 33.47 31.10 1pg2 s TRP 229 CO 0.35 -0.27 1.69 0.34 -0.00 0.00 0.00 176.95 179.06 1pg2 s ASP 230 N 1.00 5.94 -0.11 5.86 -1.08 -1.26 -0.18 116.67 126.84 1pg2 s ASP 230 Ca 0.01 1.00 0.15 0.00 -0.52 0.00 0.00 52.55 53.20 1pg2 s ASP 230 Cb -0.14 -2.53 0.54 0.00 -1.46 0.00 0.00 42.92 39.32 1pg2 s ASP 230 CO 0.01 -1.72 1.45 2.30 0.52 0.00 0.00 175.17 177.73 1pg2 n ILE 231 N 7.28 1.80 -4.36 4.11 -5.35 -0.14 -4.90 119.36 117.80 1pg2 n ILE 231 Ca 0.20 -1.39 -0.26 0.00 -0.27 0.00 0.00 62.75 61.03 1pg2 n ILE 231 Cb 0.48 0.08 -0.13 0.00 -1.74 0.00 0.00 39.64 38.33 1pg2 n ILE 231 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1pg2 s SER 232 N -1.30 2.77 0.03 7.28 1.04 -1.22 -1.04 113.70 121.27 1pg2 s SER 232 Ca 0.40 -0.69 0.01 0.00 0.48 0.00 0.00 55.95 56.15 1pg2 s SER 232 Cb 0.28 -0.17 -0.02 0.00 0.10 0.00 0.00 66.02 66.21 1pg2 s SER 232 CO 0.16 0.11 -0.05 -0.13 0.98 0.00 0.00 173.24 174.30 1pg2 s ARG 233 N -1.88 0.40 0.28 4.02 1.81 0.63 -4.74 118.95 119.46 1pg2 s ARG 233 Ca 0.09 -0.60 -0.06 0.00 -1.72 0.00 0.00 55.73 53.44 1pg2 s ARG 233 Cb -0.10 -0.13 -0.06 0.00 -0.45 0.00 0.00 34.95 34.22 1pg2 s ARG 233 CO 0.05 0.01 0.56 -0.51 -0.68 0.00 0.00 175.30 174.73 1pg2 s ASP 234 N -1.30 6.48 0.63 0.23 1.11 -1.26 -0.30 116.67 122.26 1pg2 s ASP 234 Ca -0.11 0.77 -0.17 0.00 0.18 0.00 0.00 52.55 53.22 1pg2 s ASP 234 Cb -0.09 -2.17 -0.02 0.00 1.07 0.00 0.00 42.92 41.72 1pg2 s ASP 234 CO -0.00 -0.19 1.17 0.00 1.18 0.00 0.00 175.17 177.33 1pg2 s ALA 235 N -2.05 2.46 0.11 5.23 0.00 -0.92 -4.17 121.76 122.42 1pg2 s ALA 235 Ca 0.45 0.84 -0.30 0.00 0.00 0.00 0.00 51.96 52.95 1pg2 s ALA 235 Cb -0.11 -3.41 -0.06 0.00 0.00 0.00 0.00 23.12 19.55 1pg2 s ALA 235 CO 0.29 -1.27 0.97 -1.25 0.00 0.00 0.00 175.76 174.49 1pg2 s PRO 236 N -3.62 4.69 -0.17 0.00 0.04 -1.26 -5.10 135.00 129.57 1pg2 s PRO 236 Ca 0.74 1.47 -0.15 0.00 0.04 0.00 0.00 61.00 63.09 1pg2 s PRO 236 Cb -0.27 -3.37 0.05 0.00 0.04 0.00 0.00 34.50 30.95 1pg2 s PRO 236 CO 0.36 0.20 0.46 -0.47 0.04 0.00 0.00 177.00 177.59 1pg2 s TYR 237 N 0.00 -0.54 -0.63 0.56 6.14 -1.26 -5.10 117.35 116.52 1pg2 s TYR 237 Ca 0.47 1.26 -0.21 0.00 0.64 0.00 0.00 57.07 59.24 1pg2 s TYR 237 Cb -0.24 0.20 0.09 0.00 0.42 0.00 0.00 41.96 42.43 1pg2 s TYR 237 CO 0.30 -0.27 0.85 0.12 0.64 0.00 0.00 175.55 177.19 1pg2 s PHE 238 N 0.48 2.83 0.00 4.97 5.36 -1.26 -4.90 117.98 125.45 1pg2 s PHE 238 Ca -0.02 -0.76 0.00 0.00 -0.96 0.00 0.00 56.93 55.19 1pg2 s PHE 238 Cb -0.04 -4.17 0.00 0.00 -0.34 0.00 0.00 43.02 38.47 1pg2 s PHE 238 CO -0.02 -1.49 0.00 0.41 -1.46 0.00 0.00 175.22 172.66 1pg2 n GLY 239 N 5.31 1.31 3.77 13.12 0.00 -1.26 -1.37 105.19 126.07 1pg2 n GLY 239 Ca -0.06 -0.56 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 1pg2 n GLY 239 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pg2 s PHE 240 N -1.97 3.53 0.27 1.61 2.99 -1.26 -4.96 117.98 118.18 1pg2 s PHE 240 Ca 0.00 0.65 -0.29 0.00 0.00 0.00 0.00 56.93 57.29 1pg2 s PHE 240 Cb 0.00 -2.26 -0.09 0.00 0.00 0.00 0.00 43.02 40.67 1pg2 s PHE 240 CO 0.00 0.40 1.11 -1.21 -0.00 0.00 0.00 175.22 175.53 1pg2 s GLU 241 N -0.09 4.62 -0.05 0.44 2.02 -1.26 -0.66 118.70 123.72 1pg2 s GLU 241 Ca 0.17 1.82 -0.30 0.00 0.02 0.00 0.00 54.97 56.69 1pg2 s GLU 241 Cb -0.13 -3.19 -0.02 0.00 0.10 0.00 0.00 34.13 30.88 1pg2 s GLU 241 CO 0.06 0.17 0.99 0.42 0.02 0.00 0.00 175.26 176.91 1pg2 s ILE 242 N -1.03 4.84 0.40 -1.63 1.01 0.09 -4.82 121.20 120.04 1pg2 s ILE 242 Ca 0.45 2.04 -0.27 0.00 0.00 0.00 0.00 60.65 62.88 1pg2 s ILE 242 Cb -0.32 -4.31 -0.10 0.00 0.01 0.00 0.00 42.46 37.73 1pg2 s ILE 242 CO 0.41 0.09 1.47 -2.65 0.00 0.00 0.00 174.94 174.26 1pg2 n PRO 243 N 4.38 2.56 -1.32 2.79 -0.02 -1.26 -2.13 135.00 140.00 1pg2 n PRO 243 Ca 0.07 0.90 -0.11 0.00 -2.02 0.00 0.00 63.50 62.34 1pg2 n PRO 243 Cb 0.50 -2.66 -0.05 0.00 -0.02 0.00 0.00 33.50 31.28 1pg2 n PRO 243 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1pg2 n ASN 244 N 0.29 -4.98 -3.34 2.55 5.03 -1.26 -4.93 115.26 108.61 1pg2 n ASN 244 Ca 0.02 0.27 -0.26 0.00 0.87 0.00 0.00 54.58 55.49 1pg2 n ASN 244 Cb 0.39 -3.46 -0.09 0.00 -1.02 0.00 0.00 39.78 35.60 1pg2 n ASN 244 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pg2 n ALA 245 N 1.21 2.57 -1.65 5.41 0.00 -0.90 -5.12 120.51 122.02 1pg2 n ALA 245 Ca -0.11 -3.00 -0.48 0.00 0.00 0.00 0.00 53.44 49.85 1pg2 n ALA 245 Cb 0.47 -0.79 -0.05 0.00 0.00 0.00 0.00 19.45 19.08 1pg2 n ALA 245 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1pg2 n PRO 246 N 2.77 1.87 -0.88 0.00 -0.02 -1.26 -1.58 135.00 135.91 1pg2 n PRO 246 Ca 0.29 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1pg2 n PRO 246 Cb 0.49 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 1pg2 n PRO 246 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pg2 n GLY 247 N 3.18 0.91 3.64 -1.23 0.00 -1.26 -5.03 105.19 105.40 1pg2 n GLY 247 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1pg2 n GLY 247 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pg2 s LYS 248 N -0.12 2.85 0.11 1.61 -0.14 -0.61 -2.17 119.74 121.27 1pg2 s LYS 248 Ca 0.00 -0.49 0.07 0.00 -1.36 0.00 0.00 55.97 54.18 1pg2 s LYS 248 Cb 0.00 -2.69 -0.04 0.00 -1.68 0.00 0.00 37.83 33.43 1pg2 s LYS 248 CO 0.00 0.68 -0.16 0.71 -0.76 0.00 0.00 175.35 175.82 1pg2 s TYR 249 N -0.88 1.51 0.14 3.18 1.51 0.59 -0.73 117.35 122.68 1pg2 s TYR 249 Ca 0.14 -0.49 -0.30 0.00 -1.01 0.00 0.00 57.07 55.40 1pg2 s TYR 249 Cb -0.11 -0.80 -0.07 0.00 -0.11 0.00 0.00 41.96 40.87 1pg2 s TYR 249 CO 0.03 0.17 1.19 -0.06 -1.11 0.00 0.00 175.55 175.77 1pg2 s PHE 250 N -1.75 3.44 0.41 2.71 2.99 0.16 -0.27 117.98 125.67 1pg2 s PHE 250 Ca 0.07 1.39 -0.27 0.00 0.00 0.00 0.00 56.93 58.12 1pg2 s PHE 250 Cb -0.07 -3.42 -0.10 0.00 0.00 0.00 0.00 43.02 39.43 1pg2 s PHE 250 CO 0.04 -1.21 1.47 -0.47 -0.00 0.00 0.00 175.22 175.05 1pg2 s TYR 251 N 0.32 2.52 0.29 0.36 5.04 -0.20 -4.54 117.35 121.14 1pg2 s TYR 251 Ca 0.55 1.19 0.04 0.00 -2.44 0.00 0.00 57.07 56.41 1pg2 s TYR 251 Cb -0.31 -4.00 0.72 0.00 0.35 0.00 0.00 41.96 38.71 1pg2 s TYR 251 CO 0.34 -3.01 1.72 -0.24 -1.34 0.00 0.00 175.55 173.01 1pg2 h VAL 252 N 2.73 0.54 0.00 3.14 3.04 -1.91 -0.10 116.25 123.69 1pg2 h VAL 252 Ca -0.51 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.01 1pg2 h VAL 252 Cb 1.25 0.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 1pg2 h VAL 252 CO 0.63 0.09 0.00 0.79 -1.01 0.00 0.00 177.57 178.07 1pg2 n TRP 253 N -4.98 0.00 -0.03 3.17 7.02 -1.26 -0.82 117.44 120.55 1pg2 n TRP 253 Ca 0.22 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.51 1pg2 n TRP 253 Cb 0.62 -0.43 -0.13 0.00 -2.42 0.00 0.00 31.31 28.95 1pg2 n TRP 253 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1pg2 h LEU 254 N 0.00 0.21 0.00 -0.99 7.12 -1.36 -3.37 115.31 116.92 1pg2 h LEU 254 Ca 0.00 -0.87 -0.05 0.00 0.13 0.00 0.00 57.88 57.09 1pg2 h LEU 254 Cb 0.20 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.26 1pg2 h LEU 254 CO 0.00 1.34 -0.50 -2.24 -0.13 0.00 0.00 178.44 176.90 1pg2 h ASP 255 N -0.67 0.00 0.36 1.25 -0.00 -1.47 -3.36 116.42 112.53 1pg2 h ASP 255 Ca -0.17 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 56.86 1pg2 h ASP 255 Cb 1.40 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 40.71 1pg2 h ASP 255 CO 0.02 0.23 -0.40 0.00 -0.00 0.00 0.00 179.24 179.09 1pg2 h ALA 256 N 1.77 -0.84 0.00 4.15 0.00 -1.14 -1.10 119.26 122.09 1pg2 h ALA 256 Ca -0.02 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1pg2 h ALA 256 Cb 1.19 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 1pg2 h ALA 256 CO 0.03 -1.02 -0.22 -1.00 0.00 0.00 0.00 179.25 177.04 1pg2 h PRO 257 N -0.79 0.00 0.00 0.00 0.13 -1.76 0.29 132.00 129.88 1pg2 h PRO 257 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1pg2 h PRO 257 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1pg2 h PRO 257 CO -0.09 0.22 0.00 0.82 -0.23 0.00 0.00 178.00 178.72 1pg2 h ILE 258 N 0.00 0.00 0.00 -3.56 2.04 -1.54 -0.28 117.51 114.17 1pg2 h ILE 258 Ca -0.00 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1pg2 h ILE 258 Cb 0.42 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1pg2 h ILE 258 CO 0.03 0.00 -0.03 1.23 0.00 0.00 0.00 178.15 179.38 1pg2 h GLY 259 N 1.16 0.00 0.80 5.37 0.00 0.84 0.04 103.07 111.28 1pg2 h GLY 259 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1pg2 h GLY 259 CO 0.00 0.00 -0.05 -0.97 0.00 0.00 0.00 176.54 175.52 1pg2 h TYR 260 N 0.00 0.42 -0.50 5.60 0.99 -1.14 -1.16 116.97 121.18 1pg2 h TYR 260 Ca -0.00 -0.09 -0.08 0.00 2.00 0.00 0.00 58.73 60.56 1pg2 h TYR 260 Cb 0.25 -0.10 -0.02 0.00 1.00 0.00 0.00 36.73 37.86 1pg2 h TYR 260 CO 0.00 0.63 -0.00 0.52 -0.00 0.00 0.00 178.16 179.31 1pg2 h MET 261 N 0.09 0.88 -0.85 4.88 2.86 -1.39 -2.32 114.93 119.08 1pg2 h MET 261 Ca 0.05 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 1pg2 h MET 261 Cb 0.49 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 1pg2 h MET 261 CO 0.02 0.91 0.49 0.78 1.06 0.00 0.00 176.91 180.18 1pg2 h GLY 262 N 0.74 1.24 1.63 8.32 0.00 -0.97 0.90 103.07 114.93 1pg2 h GLY 262 Ca 0.14 -0.53 -0.13 0.00 0.00 0.00 0.00 47.33 46.82 1pg2 h GLY 262 CO 0.03 0.51 -0.43 0.23 0.00 0.00 0.00 176.54 176.87 1pg2 h SER 263 N 1.17 0.43 0.03 0.19 0.87 -1.07 -1.45 113.55 113.72 1pg2 h SER 263 Ca 0.30 -0.20 -0.22 0.00 -1.23 0.00 0.00 61.79 60.44 1pg2 h SER 263 Cb -0.02 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 61.82 1pg2 h SER 263 CO -0.05 0.81 -0.83 0.15 -0.53 0.00 0.00 176.83 176.38 1pg2 h PHE 264 N 0.33 0.90 -0.75 2.24 3.57 -0.85 -2.25 116.94 120.13 1pg2 h PHE 264 Ca 0.03 -0.42 -0.03 0.00 3.53 0.00 0.00 57.97 61.07 1pg2 h PHE 264 Cb 0.90 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.48 1pg2 h PHE 264 CO 0.03 1.24 0.35 -0.22 -2.23 0.00 0.00 178.31 177.47 1pg2 h LYS 265 N 0.42 1.08 -0.45 1.11 3.64 -0.72 -0.02 116.57 121.64 1pg2 h LYS 265 Ca -0.06 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.16 1pg2 h LYS 265 Cb 1.45 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 33.05 1pg2 h LYS 265 CO 0.16 0.85 0.28 -0.97 -2.27 0.00 0.00 179.45 177.51 1pg2 h ASN 266 N 1.05 0.48 -0.30 4.20 -1.24 -1.22 0.61 115.58 119.16 1pg2 h ASN 266 Ca 0.26 -0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.26 1pg2 h ASN 266 Cb 0.14 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.06 1pg2 h ASN 266 CO -0.03 0.35 0.18 0.25 -1.29 0.00 0.00 177.43 176.89 1pg2 h LEU 267 N 0.58 0.36 -0.71 0.34 5.85 -0.83 -0.20 115.31 120.70 1pg2 h LEU 267 Ca 0.17 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1pg2 h LEU 267 Cb -0.04 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1pg2 h LEU 267 CO -0.06 0.31 0.46 0.00 -0.34 0.00 0.00 178.44 178.81 1pg2 h ASP 269 N 0.97 0.91 -0.12 0.00 3.32 -0.60 0.30 116.42 121.20 1pg2 h ASP 269 Ca 0.26 -0.20 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 1pg2 h ASP 269 Cb -0.08 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 1pg2 h ASP 269 CO -0.05 0.92 -0.15 0.11 -1.72 0.00 0.00 179.24 178.34 1pg2 h LYS 270 N 0.90 0.49 -0.00 3.56 1.57 -0.50 -1.95 116.57 120.65 1pg2 h LYS 270 Ca 0.18 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1pg2 h LYS 270 Cb 0.41 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1pg2 h LYS 270 CO 0.01 0.64 -0.09 0.54 -0.57 0.00 0.00 179.45 179.98 1pg2 n ARG 271 N -4.18 0.52 -1.99 3.15 1.74 -0.53 -4.89 116.66 110.49 1pg2 n ARG 271 Ca 0.00 -0.13 -0.13 0.00 -0.77 0.00 0.00 57.85 56.82 1pg2 n ARG 271 Cb 0.34 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.26 1pg2 n ARG 271 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pg2 n GLY 272 N 1.31 0.30 3.55 -0.13 0.00 -0.46 -4.96 105.19 104.78 1pg2 n GLY 272 Ca 0.13 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 1pg2 n GLY 272 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pg2 s ASP 273 N -2.55 6.34 0.00 1.61 -1.08 0.92 -4.94 116.67 116.97 1pg2 s ASP 273 Ca 0.00 -0.11 0.21 0.00 -0.52 0.00 0.00 52.55 52.14 1pg2 s ASP 273 Cb 0.00 -2.30 0.40 0.00 -1.46 0.00 0.00 42.92 39.56 1pg2 s ASP 273 CO 0.00 -0.61 1.36 -1.54 0.52 0.00 0.00 175.17 174.90 1pg2 n SER 274 N 5.98 3.35 -0.01 -0.34 3.41 -1.26 -4.35 113.62 120.39 1pg2 n SER 274 Ca -0.03 -1.96 -0.02 0.00 -0.26 0.00 0.00 58.87 56.61 1pg2 n SER 274 Cb 0.48 -0.24 -0.02 0.00 -0.26 0.00 0.00 64.21 64.17 1pg2 n SER 274 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1pg2 n VAL 275 N 1.37 0.19 -0.32 -3.33 0.24 -1.26 -4.80 118.33 110.41 1pg2 n VAL 275 Ca 0.18 -0.11 0.01 0.00 -2.04 0.00 0.00 64.34 62.38 1pg2 n VAL 275 Cb 0.57 -0.85 0.14 0.00 -1.47 0.00 0.00 33.84 32.23 1pg2 n VAL 275 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1pg2 h SER 276 N 0.00 0.89 -0.22 -1.34 0.02 -1.99 -2.35 113.55 108.57 1pg2 h SER 276 Ca -0.08 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 60.94 1pg2 h SER 276 Cb 1.16 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 63.47 1pg2 h SER 276 CO 0.00 0.58 -0.12 0.15 -1.14 0.00 0.00 176.83 176.30 1pg2 h PHE 277 N 1.03 -0.28 -0.18 3.45 3.57 -1.87 -0.63 116.94 122.02 1pg2 h PHE 277 Ca 0.38 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.80 1pg2 h PHE 277 Cb 0.14 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1pg2 h PHE 277 CO -0.02 -0.18 -0.34 -0.44 -2.23 0.00 0.00 178.31 175.10 1pg2 h ASP 278 N -0.10 0.38 -0.01 0.41 3.32 -1.86 -1.27 116.42 117.29 1pg2 h ASP 278 Ca 0.12 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 1pg2 h ASP 278 Cb 0.28 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1pg2 h ASP 278 CO -0.28 0.69 -0.10 -0.33 -1.72 0.00 0.00 179.24 177.50 1pg2 h GLU 279 N 0.32 0.25 0.00 3.56 5.08 -0.78 -0.43 114.58 122.58 1pg2 h GLU 279 Ca 0.04 -0.05 -0.26 0.00 -1.00 0.00 0.00 59.36 58.09 1pg2 h GLU 279 Cb 0.75 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 1pg2 h GLU 279 CO 0.06 0.37 -1.58 1.88 -1.00 0.00 0.00 179.01 178.73 1pg2 h TYR 280 N 0.24 0.00 0.00 4.33 -1.99 -0.87 -3.40 116.97 115.28 1pg2 h TYR 280 Ca 0.05 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.78 1pg2 h TYR 280 Cb 0.34 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.07 1pg2 h TYR 280 CO 0.01 0.91 -0.61 0.91 -0.00 0.00 0.00 178.16 179.38 1pg2 n TRP 281 N -3.04 0.00 -1.54 4.88 7.02 -0.50 -4.85 117.44 119.41 1pg2 n TRP 281 Ca -0.14 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 55.99 1pg2 n TRP 281 Cb 1.00 -0.01 0.08 0.00 -2.42 0.00 0.00 31.31 29.96 1pg2 n TRP 281 CO 0.00 0.00 0.00 -1.59 -2.02 0.00 0.00 177.69 174.08 1pg2 s LYS 282 N -2.16 2.29 0.23 -0.99 -2.85 -0.18 -1.20 119.74 114.88 1pg2 s LYS 282 Ca 0.04 1.80 -0.12 0.00 -1.00 0.00 0.00 55.97 56.69 1pg2 s LYS 282 Cb 0.09 -1.85 0.30 0.00 -2.06 0.00 0.00 37.83 34.32 1pg2 s LYS 282 CO 0.49 -1.73 1.62 -0.22 0.10 0.00 0.00 175.35 175.61 1pg2 h LYS 283 N -0.06 0.02 -1.05 1.78 3.64 -1.82 -1.70 116.57 117.38 1pg2 h LYS 283 Ca -0.48 -0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.33 1pg2 h LYS 283 Cb 1.30 -0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.84 1pg2 h LYS 283 CO 0.51 0.01 0.73 -0.25 -2.27 0.00 0.00 179.45 178.18 1pg2 n ASP 284 N -5.44 6.07 -4.77 4.20 10.43 -1.26 -4.50 116.55 121.27 1pg2 n ASP 284 Ca 0.10 -3.60 -0.40 0.00 2.57 0.00 0.00 54.79 53.45 1pg2 n ASP 284 Cb 0.38 -0.92 0.00 0.00 1.84 0.00 0.00 41.12 42.42 1pg2 n ASP 284 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 1pg2 s SER 285 N -1.37 6.19 0.00 -2.24 0.15 -0.64 -4.90 113.70 110.89 1pg2 s SER 285 Ca 0.57 2.83 0.22 0.00 0.70 0.00 0.00 55.95 60.28 1pg2 s SER 285 Cb 0.46 -2.65 0.20 0.00 -1.71 0.00 0.00 66.02 62.32 1pg2 s SER 285 CO 0.03 -0.95 1.22 0.35 1.20 0.00 0.00 173.24 175.10 1pg2 n THR 286 N 0.13 0.05 -2.18 6.45 -2.24 -1.26 -4.94 114.28 110.29 1pg2 n THR 286 Ca 0.03 -0.52 -0.32 0.00 -2.27 0.00 0.00 64.05 60.97 1pg2 n THR 286 Cb 0.42 1.42 -0.01 0.00 -2.10 0.00 0.00 70.33 70.06 1pg2 n THR 286 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pg2 s ALA 287 N -1.82 2.98 -0.12 6.98 0.00 -1.26 -4.82 121.76 123.70 1pg2 s ALA 287 Ca 0.27 0.17 -0.06 0.00 0.00 0.00 0.00 51.96 52.34 1pg2 s ALA 287 Cb 0.19 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.13 1pg2 s ALA 287 CO 0.28 -0.49 0.13 -1.21 0.00 0.00 0.00 175.76 174.46 1pg2 s GLU 288 N -4.32 3.39 -0.15 0.00 2.02 0.76 -4.98 118.70 115.41 1pg2 s GLU 288 Ca 0.59 -0.16 0.00 0.00 0.02 0.00 0.00 54.97 55.42 1pg2 s GLU 288 Cb -0.12 -3.15 0.03 0.00 0.10 0.00 0.00 34.13 30.99 1pg2 s GLU 288 CO 0.38 0.77 -0.13 -1.17 0.02 0.00 0.00 175.26 175.13 1pg2 s LEU 289 N -1.02 1.75 -0.01 1.80 2.96 -1.26 -0.56 118.68 122.33 1pg2 s LEU 289 Ca 0.15 -0.54 0.06 0.00 -0.22 0.00 0.00 54.13 53.57 1pg2 s LEU 289 Cb -0.12 -1.17 -0.01 0.00 0.50 0.00 0.00 46.19 45.39 1pg2 s LEU 289 CO 0.04 -0.07 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.50 1pg2 s TYR 290 N 1.49 1.64 -0.18 5.38 1.51 -0.10 -0.04 117.35 127.05 1pg2 s TYR 290 Ca 0.04 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 55.80 1pg2 s TYR 290 Cb -0.13 -1.06 0.02 0.00 -0.11 0.00 0.00 41.96 40.68 1pg2 s TYR 290 CO -0.10 -0.03 -0.20 -1.01 -1.11 0.00 0.00 175.55 173.10 1pg2 s HIS 291 N -0.42 2.78 -0.20 2.71 3.76 -1.07 -1.47 115.29 121.37 1pg2 s HIS 291 Ca 0.07 -1.62 -0.16 0.00 -0.15 0.00 0.00 55.06 53.19 1pg2 s HIS 291 Cb -0.07 -1.92 -0.04 0.00 1.11 0.00 0.00 32.58 31.66 1pg2 s HIS 291 CO -0.01 -0.79 0.43 -0.06 -0.85 0.00 0.00 174.74 173.46 1pg2 s PHE 292 N 1.27 3.37 0.15 1.40 0.40 -0.27 -0.94 117.98 123.36 1pg2 s PHE 292 Ca 0.04 0.65 -0.09 0.00 -0.60 0.00 0.00 56.93 56.93 1pg2 s PHE 292 Cb -0.13 -2.57 -0.01 0.00 0.51 0.00 0.00 43.02 40.83 1pg2 s PHE 292 CO -0.12 -0.05 0.28 0.96 0.70 0.00 0.00 175.22 176.99 1pg2 s ILE 293 N 1.44 0.07 0.52 0.64 -4.36 -0.74 -2.44 121.20 116.33 1pg2 s ILE 293 Ca 0.20 -1.32 -0.05 0.00 -0.26 0.00 0.00 60.65 59.23 1pg2 s ILE 293 Cb -0.15 -1.75 -0.01 0.00 1.25 0.00 0.00 42.46 41.80 1pg2 s ILE 293 CO 0.08 -0.34 0.82 -0.83 0.24 0.00 0.00 174.94 174.91 1pg2 s GLY 294 N -2.95 1.55 0.29 6.27 0.00 -1.26 -1.51 107.32 109.70 1pg2 s GLY 294 Ca 0.15 -0.65 0.23 0.00 0.00 0.00 0.00 44.72 44.44 1pg2 s GLY 294 CO -0.02 -0.44 1.69 0.58 0.00 0.00 0.00 173.10 174.91 1pg2 n LYS 295 N -2.36 0.17 0.04 2.90 2.85 -0.98 -2.57 118.16 118.20 1pg2 n LYS 295 Ca 0.02 0.52 0.13 0.00 -1.05 0.00 0.00 58.31 57.94 1pg2 n LYS 295 Cb 0.56 -1.91 0.53 0.00 -0.65 0.00 0.00 35.03 33.56 1pg2 n LYS 295 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1pg2 n ASP 296 N -2.25 0.31 -0.32 -5.58 5.75 -1.26 -3.69 116.55 109.51 1pg2 n ASP 296 Ca 0.00 0.53 0.08 0.00 -0.01 0.00 0.00 54.79 55.39 1pg2 n ASP 296 Cb 0.14 -0.62 0.15 0.00 -1.03 0.00 0.00 41.12 39.76 1pg2 n ASP 296 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 1pg2 n ILE 297 N -1.80 1.78 0.07 2.12 -5.35 -1.06 -4.75 119.36 110.38 1pg2 n ILE 297 Ca 0.06 -2.36 -0.01 0.00 -0.27 0.00 0.00 62.75 60.17 1pg2 n ILE 297 Cb 0.37 -0.14 0.25 0.00 -1.74 0.00 0.00 39.64 38.38 1pg2 n ILE 297 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 1pg2 h VAL 298 N 1.09 1.27 -0.43 7.28 2.07 -1.67 -3.01 116.25 122.85 1pg2 h VAL 298 Ca -0.01 -1.27 0.01 0.00 0.82 0.00 0.00 66.70 66.24 1pg2 h VAL 298 Cb 1.06 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 1pg2 h VAL 298 CO 0.00 0.39 0.28 0.22 0.02 0.00 0.00 177.57 178.48 1pg2 h TYR 299 N 0.28 0.53 -0.38 1.57 3.20 -1.87 0.11 116.97 120.41 1pg2 h TYR 299 Ca 0.04 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 1pg2 h TYR 299 Cb 0.67 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 1pg2 h TYR 299 CO 0.01 0.33 -0.13 0.74 -1.64 0.00 0.00 178.16 177.48 1pg2 h PHE 300 N 0.57 0.73 0.00 -3.82 -1.00 -1.92 -2.18 116.94 109.32 1pg2 h PHE 300 Ca 0.16 -0.13 -0.05 0.00 2.81 0.00 0.00 57.97 60.76 1pg2 h PHE 300 Cb -0.06 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.31 1pg2 h PHE 300 CO -0.05 0.76 -0.63 0.45 -1.61 0.00 0.00 178.31 177.23 1pg2 h HIS 301 N 0.61 0.00 0.00 -0.55 3.86 -1.34 0.03 115.15 117.75 1pg2 h HIS 301 Ca 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1pg2 h HIS 301 Cb 0.57 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 1pg2 h HIS 301 CO 0.02 0.21 -1.38 -1.13 0.86 0.00 0.00 177.93 176.52 1pg2 n SER 302 N -2.98 0.94 0.00 2.45 3.41 0.35 -4.27 113.62 113.52 1pg2 n SER 302 Ca 0.00 -0.37 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 1pg2 n SER 302 Cb 0.63 1.47 0.00 0.00 -0.26 0.00 0.00 64.21 66.05 1pg2 n SER 302 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1pg2 n LEU 303 N -1.81 0.00 0.09 1.04 4.77 -0.82 -4.69 117.00 115.57 1pg2 n LEU 303 Ca -0.01 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 1pg2 n LEU 303 Cb 0.37 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 1pg2 n LEU 303 CO 0.35 -0.49 0.66 -0.26 -1.33 0.00 0.00 177.39 176.32 1pg2 h PHE 304 N 0.00 -0.85 0.34 -1.77 0.04 -1.60 -2.58 116.94 110.51 1pg2 h PHE 304 Ca 0.00 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 1pg2 h PHE 304 Cb 0.00 0.37 -0.02 0.00 2.20 0.00 0.00 35.95 38.49 1pg2 h PHE 304 CO 0.00 -0.41 -0.34 2.35 -0.60 0.00 0.00 178.31 179.31 1pg2 h TRP 305 N -0.50 -0.91 -0.29 -0.55 -0.00 -1.24 0.44 115.95 112.91 1pg2 h TRP 305 Ca 0.05 0.01 -0.00 0.00 -0.00 0.00 0.00 58.89 58.94 1pg2 h TRP 305 Cb 0.55 0.35 -0.01 0.00 -0.00 0.00 0.00 29.16 30.05 1pg2 h TRP 305 CO -0.31 -0.48 0.17 -1.35 -0.00 0.00 0.00 178.44 176.48 1pg2 h PRO 306 N -0.70 0.38 -0.22 2.65 0.11 -1.74 -1.86 132.00 130.63 1pg2 h PRO 306 Ca -0.02 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.90 1pg2 h PRO 306 Cb 0.63 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1pg2 h PRO 306 CO -0.06 0.27 -0.50 0.00 -0.21 0.00 0.00 178.00 177.50 1pg2 h ALA 307 N 1.80 0.35 -0.77 -0.75 0.00 -1.17 -1.30 119.26 117.41 1pg2 h ALA 307 Ca 0.10 -0.49 0.03 0.00 0.00 0.00 0.00 54.91 54.55 1pg2 h ALA 307 Cb -0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1pg2 h ALA 307 CO -0.02 0.53 0.49 0.52 0.00 0.00 0.00 179.25 180.77 1pg2 h MET 308 N 0.44 0.93 -0.21 0.00 2.86 -0.40 -0.93 114.93 117.63 1pg2 h MET 308 Ca 0.00 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1pg2 h MET 308 Cb 1.11 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.55 1pg2 h MET 308 CO 0.11 0.61 -0.01 -0.07 1.06 0.00 0.00 176.91 178.61 1pg2 h LEU 309 N 0.95 0.36 -0.33 1.22 3.38 -1.29 -2.80 115.31 116.81 1pg2 h LEU 309 Ca 0.31 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1pg2 h LEU 309 Cb 0.02 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1pg2 h LEU 309 CO -0.11 0.59 0.14 -0.08 0.09 0.00 0.00 178.44 179.07 1pg2 h GLU 310 N 0.13 0.28 0.00 1.13 4.57 -0.93 -0.07 114.58 119.68 1pg2 h GLU 310 Ca 0.06 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1pg2 h GLU 310 Cb 0.41 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 1pg2 h GLU 310 CO 0.01 0.19 0.00 0.41 -1.18 0.00 0.00 179.01 178.44 1pg2 n GLY 311 N -1.20 -1.09 0.57 1.92 0.00 -0.38 -2.83 105.19 102.17 1pg2 n GLY 311 Ca 0.00 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.12 1pg2 n GLY 311 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pg2 n SER 312 N -1.81 3.24 -1.81 1.61 3.41 -0.89 -4.36 113.62 113.01 1pg2 n SER 312 Ca 0.03 -2.95 -0.14 0.00 -0.26 0.00 0.00 58.87 55.55 1pg2 n SER 312 Cb 0.19 -0.47 0.01 0.00 -0.26 0.00 0.00 64.21 63.68 1pg2 n SER 312 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1pg2 n ASN 313 N -0.77 -4.35 -4.53 4.04 4.05 -1.08 -5.00 115.26 107.61 1pg2 n ASN 313 Ca 0.18 -0.11 -0.24 0.00 0.45 0.00 0.00 54.58 54.86 1pg2 n ASN 313 Cb 0.76 -3.35 -0.09 0.00 1.23 0.00 0.00 39.78 38.33 1pg2 n ASN 313 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 1pg2 s PHE 314 N -2.83 2.43 0.61 1.20 0.40 -0.09 -3.67 117.98 116.03 1pg2 s PHE 314 Ca 0.11 -0.31 -0.15 0.00 -0.60 0.00 0.00 56.93 55.99 1pg2 s PHE 314 Cb -0.05 -1.09 -0.03 0.00 0.51 0.00 0.00 43.02 42.36 1pg2 s PHE 314 CO 0.14 0.67 1.05 -0.98 0.70 0.00 0.00 175.22 176.81 1pg2 s ARG 315 N -3.57 3.28 0.38 0.44 1.04 -0.34 -3.93 118.95 116.25 1pg2 s ARG 315 Ca 0.31 1.13 0.05 0.00 -1.04 0.00 0.00 55.73 56.18 1pg2 s ARG 315 Cb -0.05 -2.03 -0.00 0.00 -2.04 0.00 0.00 34.95 30.83 1pg2 s ARG 315 CO 0.17 -0.84 0.54 0.15 -0.04 0.00 0.00 175.30 175.28 1pg2 s LYS 316 N -4.30 3.05 0.53 3.89 1.02 -1.26 -4.81 119.74 117.86 1pg2 s LYS 316 Ca 0.62 -0.90 -0.22 0.00 0.02 0.00 0.00 55.97 55.49 1pg2 s LYS 316 Cb -0.15 -2.74 -0.06 0.00 -0.52 0.00 0.00 37.83 34.37 1pg2 s LYS 316 CO 0.41 -0.09 1.32 -2.30 -0.92 0.00 0.00 175.35 173.77 1pg2 n PRO 317 N -1.80 1.68 0.06 -1.68 -0.02 -1.26 -4.86 135.00 127.11 1pg2 n PRO 317 Ca 0.01 0.61 -0.12 0.00 -2.02 0.00 0.00 63.50 61.99 1pg2 n PRO 317 Cb 0.58 -2.52 -0.01 0.00 -0.02 0.00 0.00 33.50 31.53 1pg2 n PRO 317 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1pg2 h SER 318 N 1.46 0.50 -4.57 2.55 0.02 -0.84 -3.47 113.55 109.20 1pg2 h SER 318 Ca -0.50 -0.37 0.11 0.00 -0.84 0.00 0.00 61.79 60.19 1pg2 h SER 318 Cb 1.31 -0.15 -0.16 0.00 0.14 0.00 0.00 62.40 63.53 1pg2 h SER 318 CO 0.57 1.14 0.51 0.21 -1.14 0.00 0.00 176.83 178.13 1pg2 s ASN 319 N -7.02 -0.36 -0.11 3.07 3.84 -1.07 -4.87 114.94 108.42 1pg2 s ASN 319 Ca -0.06 0.05 0.02 0.00 0.21 0.00 0.00 52.86 53.08 1pg2 s ASN 319 Cb 0.10 0.36 -0.01 0.00 -0.55 0.00 0.00 41.25 41.15 1pg2 s ASN 319 CO 0.85 -0.57 -0.17 -0.76 -2.79 0.00 0.00 177.10 173.66 1pg2 s LEU 320 N -2.30 2.49 -0.39 3.21 1.43 -1.26 -2.61 118.68 119.25 1pg2 s LEU 320 Ca 0.04 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 1pg2 s LEU 320 Cb -0.01 -1.53 0.08 0.00 0.03 0.00 0.00 46.19 44.76 1pg2 s LEU 320 CO -0.07 0.18 0.17 -0.36 0.23 0.00 0.00 176.35 176.50 1pg2 s PHE 321 N 0.26 3.43 -0.12 0.29 2.99 -0.11 -4.58 117.98 120.13 1pg2 s PHE 321 Ca -0.12 -1.99 -0.08 0.00 0.00 0.00 0.00 56.93 54.74 1pg2 s PHE 321 Cb -0.16 -2.87 -0.04 0.00 0.00 0.00 0.00 43.02 39.95 1pg2 s PHE 321 CO 0.06 -0.89 0.16 0.08 -0.00 0.00 0.00 175.22 174.64 1pg2 s VAL 322 N 1.26 5.46 0.32 -0.44 1.01 -1.26 -1.79 120.40 124.96 1pg2 s VAL 322 Ca 0.03 0.26 0.09 0.00 0.00 0.00 0.00 61.98 62.36 1pg2 s VAL 322 Cb -0.22 -3.44 -0.06 0.00 0.00 0.00 0.00 36.38 32.66 1pg2 s VAL 322 CO -0.01 0.58 -0.10 -1.38 0.00 0.00 0.00 175.10 174.19 1pg2 s HIS 323 N -0.78 2.27 0.00 5.22 -3.43 -0.57 -4.35 115.29 113.65 1pg2 s HIS 323 Ca 0.15 -0.53 0.00 0.00 -0.80 0.00 0.00 55.06 53.88 1pg2 s HIS 323 Cb -0.12 -1.26 0.00 0.00 -1.43 0.00 0.00 32.58 29.76 1pg2 s HIS 323 CO 0.04 0.52 0.00 0.41 -2.00 0.00 0.00 174.74 173.71 1pg2 n GLY 324 N -0.72 0.18 3.94 -1.38 0.00 -1.17 -2.33 105.19 103.71 1pg2 n GLY 324 Ca -0.05 -1.82 -0.26 0.00 0.00 0.00 0.00 46.02 43.89 1pg2 n GLY 324 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pg2 s TYR 325 N 0.29 3.48 -0.06 1.61 4.12 -1.26 -4.79 117.35 120.73 1pg2 s TYR 325 Ca 0.00 0.22 -0.17 0.00 0.02 0.00 0.00 57.07 57.14 1pg2 s TYR 325 Cb 0.00 -1.76 -0.05 0.00 -1.52 0.00 0.00 41.96 38.63 1pg2 s TYR 325 CO 0.00 0.42 0.46 0.08 0.02 0.00 0.00 175.55 176.53 1pg2 s VAL 326 N -1.86 5.09 0.26 0.71 1.01 -1.26 -0.21 120.40 124.15 1pg2 s VAL 326 Ca 0.37 0.94 0.12 0.00 0.00 0.00 0.00 61.98 63.40 1pg2 s VAL 326 Cb -0.11 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1pg2 s VAL 326 CO 0.29 0.43 -0.21 0.42 0.00 0.00 0.00 175.10 176.04 1pg2 s THR 327 N -0.08 2.44 -0.09 3.92 -4.23 -0.30 -4.63 115.64 112.66 1pg2 s THR 327 Ca 0.25 -2.34 0.03 0.00 -1.18 0.00 0.00 61.69 58.45 1pg2 s THR 327 Cb -0.16 -2.26 0.01 0.00 1.34 0.00 0.00 72.50 71.43 1pg2 s THR 327 CO 0.12 -0.36 -0.17 -0.69 -0.54 0.00 0.00 174.62 172.98 1pg2 s VAL 328 N -2.37 1.57 -1.45 2.29 1.01 0.42 -0.47 120.40 121.39 1pg2 s VAL 328 Ca 0.28 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 1pg2 s VAL 328 Cb -0.05 -1.40 0.06 0.00 0.00 0.00 0.00 36.38 34.99 1pg2 s VAL 328 CO 0.14 0.45 0.73 0.59 0.00 0.00 0.00 175.10 177.01 1pg2 n ASN 329 N 3.82 -4.76 0.00 3.32 3.02 -0.57 -1.83 115.26 118.25 1pg2 n ASN 329 Ca -0.21 -0.52 0.00 0.00 -0.03 0.00 0.00 54.58 53.82 1pg2 n ASN 329 Cb 0.52 -3.85 0.00 0.00 -0.61 0.00 0.00 39.78 35.84 1pg2 n ASN 329 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pg2 n GLY 330 N -1.48 2.37 3.43 7.41 0.00 -1.26 -5.02 105.19 110.65 1pg2 n GLY 330 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 1pg2 n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg2 s ALA 331 N -2.92 2.40 0.65 4.61 0.00 -0.76 -5.02 121.76 120.71 1pg2 s ALA 331 Ca 0.00 -1.90 -0.18 0.00 0.00 0.00 0.00 51.96 49.88 1pg2 s ALA 331 Cb 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.22 1pg2 s ALA 331 CO 0.00 -0.03 1.10 1.17 0.00 0.00 0.00 175.76 178.00 1pg2 n LYS 332 N -0.59 0.90 -1.67 0.00 4.81 -1.26 -0.44 118.16 119.91 1pg2 n LYS 332 Ca -0.06 0.36 -0.43 0.00 -0.87 0.00 0.00 58.31 57.31 1pg2 n LYS 332 Cb 0.63 -2.33 -0.01 0.00 0.02 0.00 0.00 35.03 33.34 1pg2 n LYS 332 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1pg2 n MET 333 N -1.57 1.98 -3.98 1.64 2.81 -1.26 -4.69 117.12 112.04 1pg2 n MET 333 Ca 0.15 0.69 -0.30 0.00 -1.81 0.00 0.00 57.70 56.44 1pg2 n MET 333 Cb 0.48 -2.26 -0.16 0.00 -0.71 0.00 0.00 33.22 30.57 1pg2 n MET 333 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1pg2 s SER 334 N -0.21 2.96 0.16 7.83 0.15 -1.26 -4.77 113.70 118.54 1pg2 s SER 334 Ca 0.59 -0.66 -0.15 0.00 0.70 0.00 0.00 55.95 56.43 1pg2 s SER 334 Cb -0.61 -1.13 0.04 0.00 -1.71 0.00 0.00 66.02 62.61 1pg2 s SER 334 CO 0.59 -0.12 1.77 0.11 1.20 0.00 0.00 173.24 176.79 1pg2 h LYS 335 N 8.04 0.66 -0.24 5.44 1.57 -1.92 -0.52 116.57 129.60 1pg2 h LYS 335 Ca -0.31 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.36 1pg2 h LYS 335 Cb 1.12 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 1pg2 h LYS 335 CO 0.48 0.51 -0.00 0.66 -0.57 0.00 0.00 179.45 180.52 1pg2 h SER 336 N 0.63 0.33 0.60 0.86 4.64 -1.94 -2.37 113.55 116.30 1pg2 h SER 336 Ca 0.17 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1pg2 h SER 336 Cb 0.04 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1pg2 h SER 336 CO -0.03 0.40 -0.36 0.54 -0.87 0.00 0.00 176.83 176.51 1pg2 n ARG 337 N -4.34 0.06 -1.18 4.77 1.74 -1.04 -4.94 116.66 111.74 1pg2 n ARG 337 Ca 0.00 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 1pg2 n ARG 337 Cb 0.21 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1pg2 n ARG 337 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1pg2 n GLY 338 N 1.48 0.42 0.84 -0.13 0.00 -0.51 -4.89 105.19 102.40 1pg2 n GLY 338 Ca 0.06 -1.00 0.10 0.00 0.00 0.00 0.00 46.02 45.19 1pg2 n GLY 338 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pg2 n THR 339 N -3.17 0.09 -3.02 2.61 -2.24 -0.32 -4.48 114.28 103.74 1pg2 n THR 339 Ca 0.00 -0.54 -0.44 0.00 -2.27 0.00 0.00 64.05 60.79 1pg2 n THR 339 Cb 0.11 1.34 -0.03 0.00 -2.10 0.00 0.00 70.33 69.65 1pg2 n THR 339 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1pg2 s PHE 340 N -1.62 3.06 -0.21 4.78 5.36 -1.15 -4.24 117.98 123.96 1pg2 s PHE 340 Ca 0.25 -1.15 -0.06 0.00 -0.96 0.00 0.00 56.93 55.01 1pg2 s PHE 340 Cb 0.17 -4.14 -0.03 0.00 -0.34 0.00 0.00 43.02 38.68 1pg2 s PHE 340 CO 0.25 -1.40 0.04 0.42 -1.46 0.00 0.00 175.22 173.08 1pg2 s ILE 341 N 2.67 4.30 0.46 3.12 1.01 -1.26 -4.89 121.20 126.61 1pg2 s ILE 341 Ca 0.22 -0.19 -0.20 0.00 0.00 0.00 0.00 60.65 60.48 1pg2 s ILE 341 Cb -0.15 -2.97 -0.10 0.00 0.01 0.00 0.00 42.46 39.26 1pg2 s ILE 341 CO -0.00 0.40 0.98 -0.54 0.00 0.00 0.00 174.94 175.78 1pg2 s LYS 342 N 1.07 4.04 0.22 2.79 1.02 -1.26 -1.23 119.74 126.38 1pg2 s LYS 342 Ca 0.03 1.16 -0.09 0.00 0.02 0.00 0.00 55.97 57.09 1pg2 s LYS 342 Cb -0.14 -2.14 0.20 0.00 -0.52 0.00 0.00 37.83 35.22 1pg2 s LYS 342 CO 0.03 -0.20 1.88 0.00 -0.92 0.00 0.00 175.35 176.13 1pg2 h ALA 343 N 1.60 1.03 -0.78 5.17 0.00 -1.23 -1.58 119.26 123.47 1pg2 h ALA 343 Ca -0.49 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 1pg2 h ALA 343 Cb 1.19 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1pg2 h ALA 343 CO 0.60 0.39 0.31 0.66 0.00 0.00 0.00 179.25 181.21 1pg2 h SER 344 N 1.05 1.08 -0.49 0.00 4.64 -1.93 -2.76 113.55 115.13 1pg2 h SER 344 Ca 0.30 -0.17 -0.05 0.00 -0.47 0.00 0.00 61.79 61.40 1pg2 h SER 344 Cb -0.07 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.72 1pg2 h SER 344 CO -0.08 0.96 0.12 0.74 -0.87 0.00 0.00 176.83 177.69 1pg2 h THR 345 N 1.13 1.24 -0.43 2.95 2.02 -1.83 -2.89 112.91 115.09 1pg2 h THR 345 Ca 0.26 -0.85 0.08 0.00 0.77 0.00 0.00 66.41 66.67 1pg2 h THR 345 Cb 0.22 0.85 -0.07 0.00 -1.74 0.00 0.00 68.15 67.41 1pg2 h THR 345 CO -0.02 0.31 0.01 -0.25 0.37 0.00 0.00 175.52 175.93 1pg2 h TRP 346 N 0.68 -0.01 0.00 3.16 2.91 -1.06 -1.27 115.95 120.37 1pg2 h TRP 346 Ca 0.15 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.21 1pg2 h TRP 346 Cb 0.34 0.07 0.00 0.00 -0.51 0.00 0.00 29.16 29.06 1pg2 h TRP 346 CO 0.02 -0.08 0.00 -0.07 -1.03 0.00 0.00 178.44 177.28 1pg2 h LEU 347 N 0.12 0.00 -0.91 0.65 3.38 -1.29 0.26 115.31 117.52 1pg2 h LEU 347 Ca 0.22 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 1pg2 h LEU 347 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1pg2 h LEU 347 CO -0.35 0.00 -0.27 0.78 0.09 0.00 0.00 178.44 178.69 1pg2 h ASN 348 N 0.00 0.00 0.00 -0.43 -0.26 -1.10 -3.36 115.58 110.43 1pg2 h ASN 348 Ca 0.00 0.00 -0.19 0.00 -0.56 0.00 0.00 56.30 55.55 1pg2 h ASN 348 Cb 0.15 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.38 1pg2 h ASN 348 CO 0.00 0.27 -1.73 1.41 -1.06 0.00 0.00 177.43 176.32 1pg2 n HIS 349 N -3.38 0.00 -4.38 1.19 8.25 -0.39 -5.07 115.22 111.44 1pg2 n HIS 349 Ca 0.00 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.27 1pg2 n HIS 349 Cb 0.48 -0.51 -0.10 0.00 1.12 0.00 0.00 29.99 30.98 1pg2 n HIS 349 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1pg2 s PHE 350 N -2.26 1.75 0.73 4.41 0.40 -0.06 -5.05 117.98 117.90 1pg2 s PHE 350 Ca -0.13 -1.06 -0.04 0.00 -0.60 0.00 0.00 56.93 55.10 1pg2 s PHE 350 Cb 0.04 -1.09 0.11 0.00 0.51 0.00 0.00 43.02 42.59 1pg2 s PHE 350 CO 0.35 -0.16 1.01 0.16 0.70 0.00 0.00 175.22 177.29 1pg2 s ASP 351 N -3.40 4.37 0.09 1.36 -4.77 -1.26 -4.12 116.67 108.95 1pg2 s ASP 351 Ca 0.37 -0.10 -0.13 0.00 -3.30 0.00 0.00 52.55 49.39 1pg2 s ASP 351 Cb 0.08 -0.35 -0.20 0.00 -1.09 0.00 0.00 42.92 41.37 1pg2 s ASP 351 CO 0.14 -1.84 1.25 0.00 0.70 0.00 0.00 175.17 175.41 1pg2 h ALA 352 N -0.61 0.21 -0.96 2.11 0.00 -1.95 -3.31 119.26 114.75 1pg2 h ALA 352 Ca -0.40 -0.65 0.15 0.00 0.00 0.00 0.00 54.91 54.02 1pg2 h ALA 352 Cb 1.27 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 19.00 1pg2 h ALA 352 CO 0.45 0.68 0.61 -0.44 0.00 0.00 0.00 179.25 180.55 1pg2 h ASP 353 N 0.47 0.77 -0.18 0.00 3.32 -1.92 -1.38 116.42 117.50 1pg2 h ASP 353 Ca -0.09 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.04 1pg2 h ASP 353 Cb 1.56 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 41.00 1pg2 h ASP 353 CO 0.18 0.36 0.04 0.77 -1.72 0.00 0.00 179.24 178.87 1pg2 h SER 354 N 0.79 0.03 -0.34 6.45 4.64 -1.96 0.63 113.55 123.79 1pg2 h SER 354 Ca 0.51 0.02 -0.17 0.00 -0.47 0.00 0.00 61.79 61.68 1pg2 h SER 354 Cb 0.73 0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1pg2 h SER 354 CO -0.27 0.04 -0.44 0.25 -0.87 0.00 0.00 176.83 175.53 1pg2 h LEU 355 N 0.12 0.99 -0.55 5.97 5.85 -1.62 -1.82 115.31 124.24 1pg2 h LEU 355 Ca 0.08 -0.48 0.04 0.00 0.84 0.00 0.00 57.88 58.35 1pg2 h LEU 355 Cb 0.06 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 1pg2 h LEU 355 CO -0.10 1.28 0.31 0.03 -0.34 0.00 0.00 178.44 179.63 1pg2 h ARG 356 N 0.73 0.59 -0.08 1.25 3.08 -1.01 -0.90 114.38 118.04 1pg2 h ARG 356 Ca 0.04 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1pg2 h ARG 356 Cb 1.04 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.96 1pg2 h ARG 356 CO 0.10 0.39 0.03 -0.92 -1.07 0.00 0.00 179.97 178.50 1pg2 h TYR 357 N 0.61 0.13 -0.21 3.04 3.20 -0.77 -1.65 116.97 121.31 1pg2 h TYR 357 Ca 0.23 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.13 1pg2 h TYR 357 Cb 0.08 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 1pg2 h TYR 357 CO -0.08 0.28 0.00 -0.92 -1.64 0.00 0.00 178.16 175.80 1pg2 h TYR 358 N -0.06 -0.01 -0.17 -3.82 3.20 -1.00 -0.19 116.97 114.92 1pg2 h TYR 358 Ca 0.03 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 1pg2 h TYR 358 Cb 0.21 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 1pg2 h TYR 358 CO -0.00 -0.03 0.11 1.88 -1.64 0.00 0.00 178.16 178.47 1pg2 h TYR 359 N 0.07 0.22 -0.83 -3.82 0.99 -1.18 -2.86 116.97 109.57 1pg2 h TYR 359 Ca 0.10 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.86 1pg2 h TYR 359 Cb 0.12 -0.07 -0.05 0.00 1.00 0.00 0.00 36.73 37.73 1pg2 h TYR 359 CO -0.18 0.17 0.55 1.15 -0.00 0.00 0.00 178.16 179.85 1pg2 h THR 360 N 0.21 1.15 0.00 -2.88 2.02 -0.97 -0.16 112.91 112.28 1pg2 h THR 360 Ca 0.06 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 1pg2 h THR 360 Cb 0.01 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.43 1pg2 h THR 360 CO -0.01 0.19 -0.14 0.00 0.37 0.00 0.00 175.52 175.93 1pg2 h ALA 361 N 1.51 1.32 0.00 6.16 0.00 -0.82 -3.04 119.26 124.40 1pg2 h ALA 361 Ca 0.33 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1pg2 h ALA 361 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1pg2 h ALA 361 CO -0.09 0.18 -1.27 1.63 0.00 0.00 0.00 179.25 179.70 1pg2 n LYS 362 N -3.73 0.70 -2.50 0.00 5.02 -0.54 -4.27 118.16 112.84 1pg2 n LYS 362 Ca -0.02 -0.07 -0.34 0.00 -2.02 0.00 0.00 58.31 55.87 1pg2 n LYS 362 Cb 0.25 -1.42 -0.03 0.00 -0.02 0.00 0.00 35.03 33.81 1pg2 n LYS 362 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1pg2 s LEU 363 N -3.44 3.82 0.00 -0.35 1.43 -0.18 -4.81 118.68 115.14 1pg2 s LEU 363 Ca 0.02 1.92 0.01 0.00 -1.03 0.00 0.00 54.13 55.04 1pg2 s LEU 363 Cb 0.14 -4.56 -0.00 0.00 0.03 0.00 0.00 46.19 41.80 1pg2 s LEU 363 CO 0.79 -0.81 0.10 -1.54 0.23 0.00 0.00 176.35 175.12 1pg2 n SER 364 N -1.05 -0.28 -0.27 2.29 3.41 -1.26 -0.13 113.62 116.34 1pg2 n SER 364 Ca 0.09 -1.54 0.15 0.00 -0.26 0.00 0.00 58.87 57.31 1pg2 n SER 364 Cb 0.53 0.56 0.70 0.00 -0.26 0.00 0.00 64.21 65.74 1pg2 n SER 364 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1pg2 n SER 365 N -2.32 0.84 -4.98 4.04 3.41 -1.13 -4.74 113.62 108.74 1pg2 n SER 365 Ca 0.01 -1.29 -0.21 0.00 -0.26 0.00 0.00 58.87 57.12 1pg2 n SER 365 Cb 0.16 -0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.14 1pg2 n SER 365 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1pg2 s ARG 366 N -2.00 2.57 -0.14 4.33 1.81 -1.26 -4.95 118.95 119.32 1pg2 s ARG 366 Ca 0.42 -0.83 0.07 0.00 -1.72 0.00 0.00 55.73 53.68 1pg2 s ARG 366 Cb 0.21 -2.51 0.43 0.00 -0.45 0.00 0.00 34.95 32.63 1pg2 s ARG 366 CO 0.35 -0.67 1.20 -0.89 -0.68 0.00 0.00 175.30 174.60 1pg2 n ILE 367 N -2.30 1.54 -2.17 1.52 5.41 -1.26 -4.61 119.36 117.50 1pg2 n ILE 367 Ca 0.08 -0.77 -0.36 0.00 1.00 0.00 0.00 62.75 62.70 1pg2 n ILE 367 Cb 0.60 -0.41 0.01 0.00 -0.71 0.00 0.00 39.64 39.13 1pg2 n ILE 367 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1pg2 s ASP 368 N -0.40 5.55 0.62 4.38 -0.00 -1.26 -3.05 116.67 122.50 1pg2 s ASP 368 Ca 0.29 2.27 -0.17 0.00 -0.00 0.00 0.00 52.55 54.94 1pg2 s ASP 368 Cb 0.23 -2.59 -0.02 0.00 -0.00 0.00 0.00 42.92 40.53 1pg2 s ASP 368 CO 0.08 -1.34 1.16 -1.81 -0.00 0.00 0.00 175.17 173.26 1pg2 s ASP 369 N -1.67 5.17 -0.19 0.27 -0.00 -1.26 -3.41 116.67 115.58 1pg2 s ASP 369 Ca 0.74 2.23 -0.01 0.00 -0.00 0.00 0.00 52.55 55.51 1pg2 s ASP 369 Cb -0.27 -2.58 -0.00 0.00 -0.00 0.00 0.00 42.92 40.07 1pg2 s ASP 369 CO 0.30 -1.60 -0.12 -0.63 -0.00 0.00 0.00 175.17 173.12 1pg2 s ILE 370 N -1.88 2.85 -0.26 0.77 -1.09 0.71 -4.89 121.20 117.40 1pg2 s ILE 370 Ca 0.73 -0.68 -0.13 0.00 -2.23 0.00 0.00 60.65 58.34 1pg2 s ILE 370 Cb -0.26 -2.25 -0.05 0.00 -1.58 0.00 0.00 42.46 38.33 1pg2 s ILE 370 CO 0.35 0.48 0.26 -0.62 -1.23 0.00 0.00 174.94 174.18 1pg2 s ASP 371 N 1.18 6.15 -0.82 3.58 3.68 -1.26 -1.15 116.67 128.03 1pg2 s ASP 371 Ca 0.02 0.16 -0.18 0.00 2.13 0.00 0.00 52.55 54.67 1pg2 s ASP 371 Cb -0.14 -2.15 0.14 0.00 -1.45 0.00 0.00 42.92 39.31 1pg2 s ASP 371 CO -0.04 -0.07 0.95 -0.22 0.13 0.00 0.00 175.17 175.92 1pg2 s LEU 372 N 1.66 5.46 -0.50 -1.34 2.96 0.38 -4.95 118.68 122.36 1pg2 s LEU 372 Ca 0.11 -1.99 -0.24 0.00 -0.22 0.00 0.00 54.13 51.79 1pg2 s LEU 372 Cb -0.15 -2.34 0.03 0.00 0.50 0.00 0.00 46.19 44.23 1pg2 s LEU 372 CO 0.09 -0.99 0.87 0.21 -1.32 0.00 0.00 176.35 175.20 1pg2 s ASN 373 N 3.30 6.39 0.32 3.68 3.84 -1.26 -1.52 114.94 129.69 1pg2 s ASN 373 Ca 0.24 -0.21 0.06 0.00 0.21 0.00 0.00 52.86 53.16 1pg2 s ASN 373 Cb -0.11 -2.41 0.71 0.00 -0.55 0.00 0.00 41.25 38.89 1pg2 s ASN 373 CO -0.05 -1.06 1.83 -0.07 -2.79 0.00 0.00 177.10 174.96 1pg2 h LEU 374 N 10.53 0.79 -0.08 3.21 3.38 -1.96 0.12 115.31 131.29 1pg2 h LEU 374 Ca -0.25 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1pg2 h LEU 374 Cb 1.08 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 1pg2 h LEU 374 CO 1.02 0.37 0.02 -0.33 0.09 0.00 0.00 178.44 179.62 1pg2 h GLU 375 N 0.82 0.13 -0.03 1.13 4.39 -2.01 -2.70 114.58 116.30 1pg2 h GLU 375 Ca 0.51 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 60.14 1pg2 h GLU 375 Cb 0.71 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1pg2 h GLU 375 CO -0.28 0.29 -0.16 0.22 -1.16 0.00 0.00 179.01 177.93 1pg2 h ASP 376 N -0.06 0.04 0.31 1.42 3.58 -1.75 -3.00 116.42 116.97 1pg2 h ASP 376 Ca 0.03 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1pg2 h ASP 376 Cb 0.22 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 1pg2 h ASP 376 CO -0.00 0.21 -0.33 0.15 -2.88 0.00 0.00 179.24 176.39 1pg2 h PHE 377 N 0.04 -0.88 -0.32 0.28 3.57 -0.47 0.15 116.94 119.32 1pg2 h PHE 377 Ca 0.01 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.53 1pg2 h PHE 377 Cb 0.31 0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1pg2 h PHE 377 CO 0.00 -0.46 0.18 0.28 -2.23 0.00 0.00 178.31 176.08 1pg2 h VAL 378 N -0.67 1.02 -0.65 1.41 2.07 -1.42 -1.57 116.25 116.44 1pg2 h VAL 378 Ca -0.01 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1pg2 h VAL 378 Cb 0.62 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1pg2 h VAL 378 CO -0.07 0.07 0.36 1.56 0.02 0.00 0.00 177.57 179.50 1pg2 h GLN 379 N 0.37 0.91 -0.27 1.57 4.20 -1.39 -2.34 115.11 118.17 1pg2 h GLN 379 Ca 0.13 -0.11 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 1pg2 h GLN 379 Cb 0.01 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 1pg2 h GLN 379 CO -0.07 0.69 -0.16 -0.09 -0.67 0.00 0.00 178.83 178.53 1pg2 h ARG 380 N 0.89 0.59 -0.44 1.46 9.65 -0.51 -1.28 114.38 124.74 1pg2 h ARG 380 Ca 0.23 -0.27 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1pg2 h ARG 380 Cb 0.04 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 1pg2 h ARG 380 CO -0.04 0.84 0.23 0.28 2.80 0.00 0.00 179.97 184.09 1pg2 h VAL 381 N 0.32 1.17 -0.40 0.20 2.07 -1.25 -0.63 116.25 117.73 1pg2 h VAL 381 Ca 0.06 -0.44 -0.13 0.00 0.82 0.00 0.00 66.70 67.01 1pg2 h VAL 381 Cb 0.68 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1pg2 h VAL 381 CO 0.04 0.18 -0.26 0.78 0.02 0.00 0.00 177.57 178.33 1pg2 h ASN 382 N 0.57 0.93 -0.23 0.57 2.35 -1.43 -1.82 115.58 116.50 1pg2 h ASN 382 Ca 0.15 -0.43 -0.06 0.00 -0.55 0.00 0.00 56.30 55.41 1pg2 h ASN 382 Cb 0.07 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 1pg2 h ASN 382 CO -0.02 1.15 -0.09 0.00 -1.65 0.00 0.00 177.43 176.82 1pg2 h ALA 383 N 0.80 0.33 0.00 -0.83 0.00 -1.12 0.11 119.26 118.56 1pg2 h ALA 383 Ca 0.08 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1pg2 h ALA 383 Cb 0.84 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1pg2 h ALA 383 CO 0.07 0.16 -0.38 -0.44 0.00 0.00 0.00 179.25 178.66 1pg2 h ASP 384 N 0.20 0.00 0.03 0.00 3.32 -1.18 -2.95 116.42 115.84 1pg2 h ASP 384 Ca 0.06 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 1pg2 h ASP 384 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1pg2 h ASP 384 CO 0.03 0.79 -0.02 0.40 -1.72 0.00 0.00 179.24 178.73 1pg2 h ILE 385 N -1.00 1.32 0.04 0.35 2.04 -1.50 -2.29 117.51 116.47 1pg2 h ILE 385 Ca -0.05 -1.16 -0.00 0.00 1.00 0.00 0.00 64.86 64.65 1pg2 h ILE 385 Cb 0.49 2.09 0.00 0.00 -0.74 0.00 0.00 36.82 38.66 1pg2 h ILE 385 CO -0.03 0.29 -0.02 0.58 0.00 0.00 0.00 178.15 178.97 1pg2 h VAL 386 N -0.56 1.06 0.00 1.67 2.07 -1.41 -0.84 116.25 118.24 1pg2 h VAL 386 Ca -0.00 -1.63 0.00 0.00 0.82 0.00 0.00 66.70 65.88 1pg2 h VAL 386 Cb 0.51 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1pg2 h VAL 386 CO 0.01 0.34 0.00 0.78 0.02 0.00 0.00 177.57 178.71 1pg2 h ASN 387 N -0.95 0.00 0.00 0.57 2.35 -0.83 -2.00 115.58 114.73 1pg2 h ASN 387 Ca -0.01 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 1pg2 h ASN 387 Cb 0.59 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 1pg2 h ASN 387 CO 0.01 0.00 -0.84 0.29 -1.65 0.00 0.00 177.43 175.24 1pg2 n LYS 388 N -2.92 0.31 0.02 0.81 5.02 -1.10 -4.60 118.16 115.71 1pg2 n LYS 388 Ca 0.04 0.13 -0.02 0.00 -2.02 0.00 0.00 58.31 56.44 1pg2 n LYS 388 Cb 0.47 -1.04 -0.01 0.00 -0.02 0.00 0.00 35.03 34.43 1pg2 n LYS 388 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1pg2 h VAL 389 N -0.58 0.00 -0.78 -0.18 2.07 -1.46 -3.23 116.25 112.09 1pg2 h VAL 389 Ca -0.08 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.03 1pg2 h VAL 389 Cb 0.73 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1pg2 h VAL 389 CO -0.05 0.00 0.51 0.58 0.02 0.00 0.00 177.57 178.64 1pg2 h VAL 390 N -0.56 1.14 -0.53 2.57 2.07 -1.28 -1.75 116.25 117.91 1pg2 h VAL 390 Ca -0.01 -0.34 0.09 0.00 0.82 0.00 0.00 66.70 67.26 1pg2 h VAL 390 Cb 0.09 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 29.90 1pg2 h VAL 390 CO 0.02 0.18 0.36 -1.13 0.02 0.00 0.00 177.57 177.02 1pg2 h ASN 391 N 0.98 0.32 -0.58 0.57 -0.73 -1.52 -0.79 115.58 113.83 1pg2 h ASN 391 Ca 0.30 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.47 1pg2 h ASN 391 Cb -0.00 -0.06 -0.03 0.00 0.27 0.00 0.00 38.32 38.50 1pg2 h ASN 391 CO -0.08 0.20 0.33 0.25 -0.37 0.00 0.00 177.43 177.75 1pg2 h LEU 392 N 0.36 0.74 0.01 0.34 5.85 -1.33 -1.55 115.31 119.73 1pg2 h LEU 392 Ca 0.24 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1pg2 h LEU 392 Cb 0.48 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1pg2 h LEU 392 CO -0.06 0.60 -0.09 0.00 -0.34 0.00 0.00 178.44 178.55 1pg2 h ALA 393 N 1.52 -0.00 -0.14 1.25 0.00 -1.24 -3.32 119.26 117.33 1pg2 h ALA 393 Ca 0.21 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1pg2 h ALA 393 Cb 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1pg2 h ALA 393 CO -0.03 0.05 -0.01 0.66 0.00 0.00 0.00 179.25 179.91 1pg2 h SER 394 N -0.95 0.18 1.39 0.00 4.64 -1.30 0.74 113.55 118.25 1pg2 h SER 394 Ca -0.02 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1pg2 h SER 394 Cb 1.06 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1pg2 h SER 394 CO 0.01 0.23 0.00 -2.11 -0.87 0.00 0.00 176.83 174.09 1pg2 n ARG 395 N -4.41 0.26 -0.03 4.77 1.85 -0.59 -3.87 116.66 114.65 1pg2 n ARG 395 Ca -0.01 0.25 -0.01 0.00 -1.00 0.00 0.00 57.85 57.08 1pg2 n ARG 395 Cb 0.16 -1.82 -0.07 0.00 -1.05 0.00 0.00 32.46 29.68 1pg2 n ARG 395 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1pg2 n ASN 396 N -2.28 2.78 0.06 2.89 3.02 -0.93 -4.67 115.26 116.13 1pg2 n ASN 396 Ca 0.05 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.61 1pg2 n ASN 396 Cb 0.41 0.99 0.34 0.00 -0.61 0.00 0.00 39.78 40.91 1pg2 n ASN 396 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pg2 h ALA 397 N 0.61 1.42 0.47 5.41 0.00 -0.97 -3.10 119.26 123.10 1pg2 h ALA 397 Ca -0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1pg2 h ALA 397 Cb 1.14 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1pg2 h ALA 397 CO 0.01 0.40 -0.34 0.78 0.00 0.00 0.00 179.25 180.10 1pg2 h GLY 398 N 0.80 -0.87 0.86 0.00 0.00 -1.83 -1.23 103.07 100.79 1pg2 h GLY 398 Ca 0.07 0.39 0.05 0.00 0.00 0.00 0.00 47.33 47.85 1pg2 h GLY 398 CO 0.02 -0.31 0.62 0.74 0.00 0.00 0.00 176.54 177.61 1pg2 h PHE 399 N -0.80 1.15 -0.19 5.60 -1.00 -1.86 -1.53 116.94 118.31 1pg2 h PHE 399 Ca -0.05 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.74 1pg2 h PHE 399 Cb 0.67 -0.38 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 1pg2 h PHE 399 CO -0.14 0.63 0.04 0.82 -1.61 0.00 0.00 178.31 178.04 1pg2 h ILE 400 N 1.15 1.22 -0.12 -0.55 1.08 -1.42 0.25 117.51 119.12 1pg2 h ILE 400 Ca 0.40 -0.70 -0.19 0.00 -0.39 0.00 0.00 64.86 63.97 1pg2 h ILE 400 Cb 0.10 1.32 -0.00 0.00 -3.07 0.00 0.00 36.82 35.17 1pg2 h ILE 400 CO -0.14 0.22 -0.72 0.78 -0.69 0.00 0.00 178.15 177.59 1pg2 h ASN 401 N 0.11 0.65 0.15 1.72 2.35 -1.06 -0.30 115.58 119.19 1pg2 h ASN 401 Ca 0.06 -0.42 -0.29 0.00 -0.55 0.00 0.00 56.30 55.10 1pg2 h ASN 401 Cb 0.30 -0.19 0.01 0.00 0.05 0.00 0.00 38.32 38.48 1pg2 h ASN 401 CO 0.00 1.17 -1.43 0.11 -1.65 0.00 0.00 177.43 175.63 1pg2 h LYS 402 N 0.38 0.31 0.00 0.81 1.79 -1.33 -3.06 116.57 115.47 1pg2 h LYS 402 Ca -0.03 -0.53 -0.05 0.00 -2.18 0.00 0.00 60.65 57.85 1pg2 h LYS 402 Cb 1.31 0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 32.15 1pg2 h LYS 402 CO 0.13 1.26 -1.02 0.00 -1.08 0.00 0.00 179.45 178.74 1pg2 h ARG 403 N -0.17 0.00 0.00 3.15 2.47 -1.08 -3.40 114.38 115.34 1pg2 h ARG 403 Ca -0.29 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.38 1pg2 h ARG 403 Cb 1.86 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 30.07 1pg2 h ARG 403 CO 0.12 0.11 -0.56 1.19 0.56 0.00 0.00 179.97 181.39 1pg2 n PHE 404 N -2.80 0.00 -3.22 3.04 3.01 -0.54 -5.00 117.46 111.95 1pg2 n PHE 404 Ca -0.02 -0.62 -0.22 0.00 1.01 0.00 0.00 57.45 57.60 1pg2 n PHE 404 Cb 0.64 -0.14 -0.00 0.00 -0.01 0.00 0.00 39.48 39.98 1pg2 n PHE 404 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1pg2 n ASP 405 N -0.34 -3.89 0.00 4.37 8.00 -1.11 -1.11 116.55 122.47 1pg2 n ASP 405 Ca 0.08 -0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.28 1pg2 n ASP 405 Cb 0.82 -3.22 0.00 0.00 -0.02 0.00 0.00 41.12 38.70 1pg2 n ASP 405 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pg2 n GLY 406 N -1.15 0.50 3.68 0.44 0.00 -0.24 -4.88 105.19 103.54 1pg2 n GLY 406 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 1pg2 n GLY 406 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pg2 s VAL 407 N -2.20 5.16 0.52 1.61 1.01 -0.27 -0.49 120.40 125.74 1pg2 s VAL 407 Ca 0.00 0.86 -0.14 0.00 0.00 0.00 0.00 61.98 62.70 1pg2 s VAL 407 Cb 0.00 -3.79 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 1pg2 s VAL 407 CO 0.00 0.24 0.96 -0.76 0.00 0.00 0.00 175.10 175.54 1pg2 s LEU 408 N 1.28 3.57 0.92 3.92 1.43 -0.11 -4.88 118.68 124.80 1pg2 s LEU 408 Ca 0.23 1.47 -0.10 0.00 -1.03 0.00 0.00 54.13 54.69 1pg2 s LEU 408 Cb -0.15 -4.42 0.14 0.00 0.03 0.00 0.00 46.19 41.78 1pg2 s LEU 408 CO 0.09 -0.62 1.07 0.00 0.23 0.00 0.00 176.35 177.11 1pg2 n ALA 409 N -1.81 -1.02 1.35 4.21 0.00 -1.26 -2.44 120.51 119.54 1pg2 n ALA 409 Ca 0.06 -0.56 0.14 0.00 0.00 0.00 0.00 53.44 53.07 1pg2 n ALA 409 Cb 0.54 -2.16 0.49 0.00 0.00 0.00 0.00 19.45 18.32 1pg2 n ALA 409 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1pg2 n SER 410 N -3.94 0.86 -3.97 0.00 3.41 -1.26 -1.66 113.62 107.06 1pg2 n SER 410 Ca 0.11 -0.85 -0.09 0.00 -0.26 0.00 0.00 58.87 57.78 1pg2 n SER 410 Cb 0.52 0.04 -0.09 0.00 -0.26 0.00 0.00 64.21 64.42 1pg2 n SER 410 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1pg2 s GLU 411 N -2.42 0.59 0.01 4.33 8.01 -1.26 -4.76 118.70 123.20 1pg2 s GLU 411 Ca 0.28 -0.90 -0.30 0.00 0.01 0.00 0.00 54.97 54.06 1pg2 s GLU 411 Cb 0.20 0.22 -0.04 0.00 -4.31 0.00 0.00 34.13 30.20 1pg2 s GLU 411 CO 0.48 -0.14 1.09 -0.51 0.01 0.00 0.00 175.26 176.19 1pg2 s LEU 412 N -2.37 4.35 0.40 1.80 1.43 -1.26 -4.92 118.68 118.10 1pg2 s LEU 412 Ca -0.02 1.79 0.16 0.00 -1.03 0.00 0.00 54.13 55.04 1pg2 s LEU 412 Cb 0.01 -3.57 0.83 0.00 0.03 0.00 0.00 46.19 43.49 1pg2 s LEU 412 CO -0.07 -0.39 1.85 0.00 0.23 0.00 0.00 176.35 177.98 1pg2 h ALA 413 N 6.91 1.32 -2.07 4.21 0.00 -1.97 -3.37 119.26 124.28 1pg2 h ALA 413 Ca -0.39 -0.30 -0.48 0.00 0.00 0.00 0.00 54.91 53.74 1pg2 h ALA 413 Cb 1.20 -0.05 -0.33 0.00 0.00 0.00 0.00 17.79 18.61 1pg2 h ALA 413 CO 0.80 0.41 -0.83 0.34 0.00 0.00 0.00 179.25 179.97 1pg2 s ASP 414 N -6.75 1.01 0.45 0.00 3.68 -1.26 -4.99 116.67 108.81 1pg2 s ASP 414 Ca -0.02 -2.50 0.18 0.00 2.13 0.00 0.00 52.55 52.33 1pg2 s ASP 414 Cb 0.14 0.15 1.13 0.00 -1.45 0.00 0.00 42.92 42.88 1pg2 s ASP 414 CO 0.70 -0.18 1.94 -0.65 0.13 0.00 0.00 175.17 177.11 1pg2 h PRO 415 N 5.89 0.32 0.52 4.34 0.11 -2.00 -2.44 132.00 138.73 1pg2 h PRO 415 Ca 0.18 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.24 1pg2 h PRO 415 Cb 0.98 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1pg2 h PRO 415 CO 0.27 0.21 -0.28 1.96 -0.21 0.00 0.00 178.00 179.95 1pg2 h GLN 416 N 0.32 -0.71 -0.72 1.05 4.20 -1.96 -1.08 115.11 116.22 1pg2 h GLN 416 Ca 0.34 0.05 0.01 0.00 0.06 0.00 0.00 58.65 59.10 1pg2 h GLN 416 Cb 0.86 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.77 1pg2 h GLN 416 CO -0.09 -0.47 0.47 1.25 -0.67 0.00 0.00 178.83 179.31 1pg2 h LEU 417 N -0.74 0.83 -0.87 1.46 5.85 -1.90 -1.76 115.31 118.18 1pg2 h LEU 417 Ca -0.07 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1pg2 h LEU 417 Cb 0.58 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1pg2 h LEU 417 CO 0.10 0.61 0.52 0.22 -0.34 0.00 0.00 178.44 179.54 1pg2 h TYR 418 N 0.97 1.15 -0.27 1.25 3.20 -1.34 -1.56 116.97 120.37 1pg2 h TYR 418 Ca 0.26 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.08 1pg2 h TYR 418 Cb -0.10 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 37.78 1pg2 h TYR 418 CO -0.02 0.77 -0.03 -0.22 -1.64 0.00 0.00 178.16 177.02 1pg2 h LYS 419 N 1.20 0.41 -0.67 1.82 3.64 -0.64 -0.72 116.57 121.61 1pg2 h LYS 419 Ca 0.31 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1pg2 h LYS 419 Cb -0.04 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1pg2 h LYS 419 CO -0.06 0.46 0.33 1.15 -2.27 0.00 0.00 179.45 179.07 1pg2 h THR 420 N 0.39 1.22 -0.27 1.00 2.02 -0.44 0.18 112.91 117.01 1pg2 h THR 420 Ca 0.09 -0.61 -0.05 0.00 0.77 0.00 0.00 66.41 66.61 1pg2 h THR 420 Cb 0.31 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1pg2 h THR 420 CO 0.01 0.25 -0.04 -0.26 0.37 0.00 0.00 175.52 175.85 1pg2 h PHE 421 N 0.92 0.56 0.00 3.16 -1.00 -0.79 -2.93 116.94 116.86 1pg2 h PHE 421 Ca 0.23 -0.11 -0.13 0.00 2.81 0.00 0.00 57.97 60.77 1pg2 h PHE 421 Cb 0.10 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.50 1pg2 h PHE 421 CO 0.00 0.69 -0.61 1.79 -1.61 0.00 0.00 178.31 178.58 1pg2 h THR 422 N 0.26 1.32 0.00 -1.55 1.35 -1.04 -2.92 112.91 110.33 1pg2 h THR 422 Ca 0.07 -2.17 -0.04 0.00 -0.55 0.00 0.00 66.41 63.72 1pg2 h THR 422 Cb 0.50 2.21 -0.01 0.00 -1.73 0.00 0.00 68.15 69.12 1pg2 h THR 422 CO 0.02 0.60 -0.19 0.44 -0.25 0.00 0.00 175.52 176.13 1pg2 h ASP 423 N 0.00 0.00 0.61 5.36 3.45 -0.60 -2.29 116.42 122.95 1pg2 h ASP 423 Ca -0.01 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.45 1pg2 h ASP 423 Cb 1.16 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.93 1pg2 h ASP 423 CO 0.08 0.19 0.00 0.00 -1.57 0.00 0.00 179.24 177.94 1pg2 n ALA 424 N -2.41 1.76 -0.35 3.45 0.00 -1.10 -3.47 120.51 118.38 1pg2 n ALA 424 Ca -0.02 -0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.44 1pg2 n ALA 424 Cb 0.27 -1.29 0.23 0.00 0.00 0.00 0.00 19.45 18.66 1pg2 n ALA 424 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pg2 h ALA 425 N 2.53 1.50 0.24 0.00 0.00 -1.54 -1.46 119.26 120.54 1pg2 h ALA 425 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pg2 h ALA 425 Cb 0.31 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1pg2 h ALA 425 CO 0.00 0.30 -0.20 1.49 0.00 0.00 0.00 179.25 180.84 1pg2 h GLU 426 N 1.04 -0.45 -0.42 0.00 4.81 -1.79 0.15 114.58 117.92 1pg2 h GLU 426 Ca 0.46 0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.58 1pg2 h GLU 426 Cb 0.35 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1pg2 h GLU 426 CO -0.21 -0.30 -0.29 -0.24 -0.73 0.00 0.00 179.01 177.24 1pg2 h VAL 427 N -0.46 1.27 -0.35 0.32 3.04 -1.74 -1.81 116.25 116.51 1pg2 h VAL 427 Ca -0.01 -1.45 -0.10 0.00 -1.01 0.00 0.00 66.70 64.12 1pg2 h VAL 427 Cb 0.42 1.25 -0.01 0.00 -2.01 0.00 0.00 31.29 30.94 1pg2 h VAL 427 CO -0.02 0.49 -0.18 0.40 -1.01 0.00 0.00 177.57 177.25 1pg2 h ILE 428 N 0.77 1.29 -0.59 3.17 2.04 -1.21 -1.56 117.51 121.41 1pg2 h ILE 428 Ca 0.09 -1.31 -0.02 0.00 1.00 0.00 0.00 64.86 64.61 1pg2 h ILE 428 Cb 0.86 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 1pg2 h ILE 428 CO 0.08 0.43 0.28 1.23 0.00 0.00 0.00 178.15 180.16 1pg2 h GLY 429 N 0.53 0.92 1.90 5.37 0.00 -0.69 -1.41 103.07 109.70 1pg2 h GLY 429 Ca 0.08 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 1pg2 h GLY 429 CO 0.05 0.44 -0.07 -2.09 0.00 0.00 0.00 176.54 174.88 1pg2 h GLU 430 N 0.81 0.13 -0.23 4.80 4.57 -1.21 -0.16 114.58 123.29 1pg2 h GLU 430 Ca 0.20 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.25 1pg2 h GLU 430 Cb 0.13 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1pg2 h GLU 430 CO -0.02 0.21 -0.28 0.00 -1.18 0.00 0.00 179.01 177.74 1pg2 h ALA 431 N 1.81 0.35 -0.28 2.92 0.00 -0.54 -0.22 119.26 123.30 1pg2 h ALA 431 Ca 0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1pg2 h ALA 431 Cb 0.21 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1pg2 h ALA 431 CO 0.01 0.35 0.12 -1.49 0.00 0.00 0.00 179.25 178.24 1pg2 h TRP 432 N 0.30 0.41 -0.37 0.00 -0.00 -0.79 0.16 115.95 115.66 1pg2 h TRP 432 Ca 0.03 -0.03 0.04 0.00 -0.00 0.00 0.00 58.89 58.94 1pg2 h TRP 432 Cb 0.85 -0.12 -0.04 0.00 -0.00 0.00 0.00 29.16 29.85 1pg2 h TRP 432 CO 0.08 0.40 0.13 1.49 -0.00 0.00 0.00 178.44 180.54 1pg2 h GLU 433 N 0.30 0.27 -0.01 0.49 4.57 -0.96 -2.16 114.58 117.08 1pg2 h GLU 433 Ca 0.09 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1pg2 h GLU 433 Cb 0.16 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1pg2 h GLU 433 CO -0.01 0.18 0.00 -1.13 -1.18 0.00 0.00 179.01 176.87 1pg2 n SER 434 N -5.02 0.16 -0.45 1.04 3.41 -0.10 -4.89 113.62 107.77 1pg2 n SER 434 Ca 0.01 -1.21 -0.06 0.00 -0.26 0.00 0.00 58.87 57.36 1pg2 n SER 434 Cb 0.13 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 1pg2 n SER 434 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1pg2 n ARG 435 N -0.80 -0.70 -2.08 4.33 1.74 -0.81 -4.61 116.66 113.73 1pg2 n ARG 435 Ca 0.20 0.61 -0.41 0.00 -0.77 0.00 0.00 57.85 57.48 1pg2 n ARG 435 Cb 0.12 -4.41 -0.00 0.00 -1.02 0.00 0.00 32.46 27.15 1pg2 n ARG 435 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1pg2 n GLU 436 N -2.26 3.99 -0.30 5.56 -0.58 -0.01 -2.86 120.64 124.18 1pg2 n GLU 436 Ca -0.06 -3.35 -0.01 0.00 -0.42 0.00 0.00 57.16 53.32 1pg2 n GLU 436 Cb 0.27 -2.81 0.12 0.00 -0.57 0.00 0.00 31.44 28.44 1pg2 n GLU 436 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 1pg2 h PHE 437 N 5.22 0.99 -1.00 -0.32 0.05 -1.70 -2.08 116.94 118.09 1pg2 h PHE 437 Ca 0.57 0.03 0.03 0.00 3.82 0.00 0.00 57.97 62.42 1pg2 h PHE 437 Cb 0.47 -0.32 -0.06 0.00 2.00 0.00 0.00 35.95 38.04 1pg2 h PHE 437 CO 1.46 0.55 0.66 0.78 -0.18 0.00 0.00 178.31 181.57 1pg2 h GLY 438 N 1.01 1.46 0.99 -1.45 0.00 -0.44 -0.88 103.07 103.77 1pg2 h GLY 438 Ca 0.34 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 1pg2 h GLY 438 CO -0.13 0.44 0.11 1.70 0.00 0.00 0.00 176.54 178.66 1pg2 h LYS 439 N 1.29 0.86 -0.11 4.80 3.64 -1.66 -1.23 116.57 124.15 1pg2 h LYS 439 Ca 0.40 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1pg2 h LYS 439 Cb -0.02 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1pg2 h LYS 439 CO -0.12 0.83 0.07 0.00 -2.27 0.00 0.00 179.45 177.96 1pg2 h ALA 440 N 1.00 0.13 -0.55 5.00 0.00 -0.76 -1.55 119.26 122.53 1pg2 h ALA 440 Ca 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1pg2 h ALA 440 Cb 0.37 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1pg2 h ALA 440 CO 0.01 -0.38 0.29 0.28 0.00 0.00 0.00 179.25 179.45 1pg2 h VAL 441 N 0.14 1.19 -0.85 0.00 2.07 -1.06 -0.47 116.25 117.27 1pg2 h VAL 441 Ca 0.04 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.10 1pg2 h VAL 441 Cb -0.01 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 1pg2 h VAL 441 CO -0.01 0.20 0.55 0.03 0.02 0.00 0.00 177.57 178.36 1pg2 h ARG 442 N 0.74 1.06 -0.51 1.57 3.08 -1.03 0.75 114.38 120.04 1pg2 h ARG 442 Ca 0.19 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.11 1pg2 h ARG 442 Cb 0.06 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 1pg2 h ARG 442 CO -0.03 0.70 0.06 1.49 -1.07 0.00 0.00 179.97 181.12 1pg2 h GLU 443 N 1.09 0.86 -0.52 0.04 4.57 -0.89 -0.97 114.58 118.77 1pg2 h GLU 443 Ca 0.33 -0.25 -0.05 0.00 -1.18 0.00 0.00 59.36 58.22 1pg2 h GLU 443 Cb -0.04 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 1pg2 h GLU 443 CO -0.10 0.87 0.14 0.82 -1.18 0.00 0.00 179.01 179.56 1pg2 h ILE 444 N 0.74 1.24 0.00 2.32 2.04 -0.51 -2.06 117.51 121.28 1pg2 h ILE 444 Ca 0.15 -0.83 -0.09 0.00 1.00 0.00 0.00 64.86 65.09 1pg2 h ILE 444 Cb 0.44 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1pg2 h ILE 444 CO 0.02 0.30 -0.43 0.24 0.00 0.00 0.00 178.15 178.28 1pg2 h MET 445 N 0.72 0.00 -0.64 2.37 2.86 -0.76 -0.86 114.93 118.62 1pg2 h MET 445 Ca 0.17 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.72 1pg2 h MET 445 Cb 0.31 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1pg2 h MET 445 CO -0.00 0.43 0.06 0.00 1.06 0.00 0.00 176.91 178.46 1pg2 h ALA 446 N 1.57 0.85 -0.48 6.32 0.00 -0.84 -0.59 119.26 126.09 1pg2 h ALA 446 Ca -0.00 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1pg2 h ALA 446 Cb 0.90 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1pg2 h ALA 446 CO 0.06 0.66 -0.11 -0.07 0.00 0.00 0.00 179.25 179.78 1pg2 h LEU 447 N 1.00 0.93 -0.77 0.00 3.38 -0.92 -2.14 115.31 116.80 1pg2 h LEU 447 Ca 0.19 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1pg2 h LEU 447 Cb 0.50 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1pg2 h LEU 447 CO 0.02 1.07 0.49 0.00 0.09 0.00 0.00 178.44 180.12 1pg2 h ALA 448 N 0.89 1.00 -0.75 1.53 0.00 -0.75 0.64 119.26 121.82 1pg2 h ALA 448 Ca 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1pg2 h ALA 448 Cb 0.67 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1pg2 h ALA 448 CO 0.05 0.32 0.48 -0.44 0.00 0.00 0.00 179.25 179.65 1pg2 h ASP 449 N 0.98 0.88 -0.43 0.00 3.32 -0.89 -0.83 116.42 119.45 1pg2 h ASP 449 Ca 0.30 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.32 1pg2 h ASP 449 Cb -0.03 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 1pg2 h ASP 449 CO -0.10 0.66 0.28 0.25 -1.72 0.00 0.00 179.24 178.61 1pg2 h LEU 450 N 1.02 0.48 -0.54 1.55 6.46 -0.59 -0.10 115.31 123.58 1pg2 h LEU 450 Ca 0.27 -0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 58.00 1pg2 h LEU 450 Cb -0.08 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 39.71 1pg2 h LEU 450 CO -0.06 0.34 0.24 0.00 -0.62 0.00 0.00 178.44 178.35 1pg2 h ALA 451 N 1.17 0.70 0.00 1.25 0.00 -0.40 -0.67 119.26 121.30 1pg2 h ALA 451 Ca 0.16 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1pg2 h ALA 451 Cb -0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1pg2 h ALA 451 CO -0.04 0.29 -0.40 -0.91 0.00 0.00 0.00 179.25 178.19 1pg2 h ASN 452 N 0.73 0.00 -0.26 0.00 2.35 -0.89 -1.81 115.58 115.71 1pg2 h ASN 452 Ca 0.18 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.75 1pg2 h ASN 452 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 1pg2 h ASN 452 CO -0.02 0.40 -0.54 -0.09 -1.65 0.00 0.00 177.43 175.53 1pg2 h ARG 453 N 0.00 0.83 -0.23 0.81 2.43 -0.60 -1.35 114.38 116.26 1pg2 h ARG 453 Ca -0.00 -0.54 0.04 0.00 -0.81 0.00 0.00 59.98 58.66 1pg2 h ARG 453 Cb 0.76 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.35 1pg2 h ARG 453 CO 0.05 1.17 0.02 -0.92 -1.51 0.00 0.00 179.97 178.78 1pg2 h TYR 454 N 0.59 0.03 -0.77 2.20 3.20 -0.76 -0.06 116.97 121.41 1pg2 h TYR 454 Ca 0.01 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1pg2 h TYR 454 Cb 1.15 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 39.41 1pg2 h TYR 454 CO 0.08 -0.01 0.44 0.28 -1.64 0.00 0.00 178.16 177.31 1pg2 h VAL 455 N 0.10 1.22 -0.25 1.81 2.07 -1.24 -1.05 116.25 118.92 1pg2 h VAL 455 Ca 0.11 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 1pg2 h VAL 455 Cb 0.12 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1pg2 h VAL 455 CO -0.16 0.24 0.01 0.44 0.02 0.00 0.00 177.57 178.12 1pg2 h ASP 456 N 1.07 0.42 -0.52 0.57 3.32 -0.54 -0.18 116.42 120.57 1pg2 h ASP 456 Ca 0.27 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 1pg2 h ASP 456 Cb 0.00 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1pg2 h ASP 456 CO -0.05 0.61 0.28 -0.33 -1.72 0.00 0.00 179.24 178.03 1pg2 h GLU 457 N 0.22 0.72 0.00 3.56 5.08 -0.74 -2.37 114.58 121.05 1pg2 h GLU 457 Ca 0.07 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.28 1pg2 h GLU 457 Cb 0.38 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1pg2 h GLU 457 CO 0.01 0.56 -0.34 1.96 -1.00 0.00 0.00 179.01 180.21 1pg2 h GLN 458 N 0.69 0.00 -6.44 2.33 1.08 -1.16 -3.48 115.11 108.12 1pg2 h GLN 458 Ca 0.18 0.00 -0.36 0.00 -1.45 0.00 0.00 58.65 57.02 1pg2 h GLN 458 Cb 0.05 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.50 1pg2 h GLN 458 CO -0.03 0.34 -1.15 0.00 -0.95 0.00 0.00 178.83 177.04 1pg2 n ALA 459 N -2.28 -2.36 0.17 3.87 0.00 -0.09 -4.73 120.51 115.10 1pg2 n ALA 459 Ca -0.00 0.42 0.02 0.00 0.00 0.00 0.00 53.44 53.88 1pg2 n ALA 459 Cb 0.49 -2.40 0.36 0.00 0.00 0.00 0.00 19.45 17.90 1pg2 n ALA 459 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1pg2 h PRO 460 N 2.09 0.05 0.00 0.00 0.13 -1.89 -2.60 132.00 129.78 1pg2 h PRO 460 Ca -0.52 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.57 1pg2 h PRO 460 Cb 1.38 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.50 1pg2 h PRO 460 CO 0.23 0.39 -0.12 0.11 -0.23 0.00 0.00 178.00 178.37 1pg2 h TRP 461 N 0.05 0.00 0.09 1.56 0.09 -1.93 0.41 115.95 116.21 1pg2 h TRP 461 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 58.89 58.80 1pg2 h TRP 461 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.87 1pg2 h TRP 461 CO 0.00 0.12 -0.87 0.28 0.09 0.00 0.00 178.44 178.06 1pg2 h VAL 462 N 0.00 1.37 0.00 0.12 2.07 -1.81 -3.28 116.25 114.71 1pg2 h VAL 462 Ca -0.00 -2.43 -0.01 0.00 0.82 0.00 0.00 66.70 65.09 1pg2 h VAL 462 Cb 0.34 3.00 -0.00 0.00 -1.52 0.00 0.00 31.29 33.12 1pg2 h VAL 462 CO 0.02 0.65 -0.02 0.58 0.02 0.00 0.00 177.57 178.82 1pg2 h VAL 463 N -0.54 0.09 -0.39 2.57 2.07 -1.15 -2.94 116.25 115.96 1pg2 h VAL 463 Ca -0.18 -0.40 -0.11 0.00 0.82 0.00 0.00 66.70 66.83 1pg2 h VAL 463 Cb 1.52 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 1pg2 h VAL 463 CO 0.06 0.02 -0.19 0.00 0.02 0.00 0.00 177.57 177.49 1pg2 h ALA 464 N 1.98 0.55 -0.27 1.67 0.00 -0.26 -3.07 119.26 119.85 1pg2 h ALA 464 Ca -0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1pg2 h ALA 464 Cb 0.36 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1pg2 h ALA 464 CO 0.00 0.49 0.00 0.36 0.00 0.00 0.00 179.25 180.11 1pg2 n LYS 465 N -4.25 1.69 -3.33 0.00 2.85 -1.11 -4.67 118.16 109.33 1pg2 n LYS 465 Ca -0.02 -1.07 -0.46 0.00 -1.05 0.00 0.00 58.31 55.71 1pg2 n LYS 465 Cb 0.42 -1.28 -0.03 0.00 -0.65 0.00 0.00 35.03 33.49 1pg2 n LYS 465 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1pg2 s GLN 466 N -1.65 3.34 0.11 -1.58 -0.21 -1.16 -5.04 119.66 113.47 1pg2 s GLN 466 Ca 0.24 -2.18 -0.35 0.00 0.02 0.00 0.00 55.36 53.09 1pg2 s GLN 466 Cb 0.12 -4.36 -0.17 0.00 1.00 0.00 0.00 33.01 29.60 1pg2 s GLN 466 CO 0.17 -1.30 1.15 -0.85 -2.12 0.00 0.00 175.29 172.34 1pg2 n GLU 467 N 4.45 0.82 -0.52 2.91 -0.00 -1.26 -1.95 120.64 125.09 1pg2 n GLU 467 Ca 0.03 0.29 0.00 0.00 -0.00 0.00 0.00 57.16 57.48 1pg2 n GLU 467 Cb 0.44 -1.80 0.00 0.00 -0.00 0.00 0.00 31.44 30.08 1pg2 n GLU 467 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1pg2 n GLY 468 N 2.06 0.73 0.51 -1.84 0.00 -1.26 -4.95 105.19 100.45 1pg2 n GLY 468 Ca 0.17 -0.10 0.07 0.00 0.00 0.00 0.00 46.02 46.17 1pg2 n GLY 468 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pg2 n ARG 469 N -2.52 1.88 -0.08 1.61 5.12 -0.82 -4.77 116.66 117.08 1pg2 n ARG 469 Ca 0.00 -2.82 -0.07 0.00 -1.93 0.00 0.00 57.85 53.04 1pg2 n ARG 469 Cb 0.00 -1.66 0.00 0.00 -1.16 0.00 0.00 32.46 29.65 1pg2 n ARG 469 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1pg2 h ASP 470 N 0.79 -0.03 -0.39 0.55 5.19 -1.86 -0.47 116.42 120.19 1pg2 h ASP 470 Ca 0.03 0.06 0.05 0.00 -0.62 0.00 0.00 57.03 56.55 1pg2 h ASP 470 Cb 1.22 0.09 -0.05 0.00 0.18 0.00 0.00 39.33 40.76 1pg2 h ASP 470 CO 0.11 0.02 0.11 0.00 -3.12 0.00 0.00 179.24 176.36 1pg2 h ALA 471 N 1.24 0.44 -0.87 3.45 0.00 -2.00 -0.12 119.26 121.40 1pg2 h ALA 471 Ca 0.15 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1pg2 h ALA 471 Cb 0.17 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1pg2 h ALA 471 CO -0.21 -0.29 0.48 -0.44 0.00 0.00 0.00 179.25 178.80 1pg2 h ASP 472 N 0.25 1.08 0.03 0.00 3.32 -1.81 -1.57 116.42 117.72 1pg2 h ASP 472 Ca 0.18 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1pg2 h ASP 472 Cb 0.19 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1pg2 h ASP 472 CO -0.21 0.87 -0.01 0.25 -1.72 0.00 0.00 179.24 178.41 1pg2 h LEU 473 N 1.21 -0.03 -1.26 1.55 5.85 -0.23 -1.29 115.31 121.11 1pg2 h LEU 473 Ca 0.31 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.95 1pg2 h LEU 473 Cb 0.02 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1pg2 h LEU 473 CO -0.05 0.07 0.50 -0.61 -0.34 0.00 0.00 178.44 178.01 1pg2 h GLN 474 N -0.13 0.99 -0.39 1.25 4.15 -0.87 -0.95 115.11 119.17 1pg2 h GLN 474 Ca -0.00 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.32 1pg2 h GLN 474 Cb 0.11 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 1pg2 h GLN 474 CO 0.01 0.66 0.11 0.00 -1.93 0.00 0.00 178.83 177.67 1pg2 h ALA 475 N 1.53 0.51 0.33 3.38 0.00 -0.99 -0.65 119.26 123.37 1pg2 h ALA 475 Ca 0.28 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1pg2 h ALA 475 Cb -0.12 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1pg2 h ALA 475 CO -0.06 0.17 -0.16 0.82 0.00 0.00 0.00 179.25 180.02 1pg2 h ILE 476 N 0.48 0.69 -0.05 0.00 2.04 -0.68 -2.10 117.51 117.89 1pg2 h ILE 476 Ca 0.12 -0.37 -0.07 0.00 1.00 0.00 0.00 64.86 65.54 1pg2 h ILE 476 Cb 0.28 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1pg2 h ILE 476 CO -0.00 0.07 -0.28 0.00 0.00 0.00 0.00 178.15 177.94 1pg2 h SER 478 N 0.08 0.61 -0.67 0.00 0.02 -1.13 -2.26 113.55 110.20 1pg2 h SER 478 Ca 0.01 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1pg2 h SER 478 Cb 0.54 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 1pg2 h SER 478 CO 0.04 1.08 0.43 -0.03 -1.14 0.00 0.00 176.83 177.21 1pg2 h MET 479 N 0.39 0.89 -0.64 3.45 -1.53 -0.83 -0.41 114.93 116.25 1pg2 h MET 479 Ca -0.01 -0.06 -0.08 0.00 -3.44 0.00 0.00 59.70 56.11 1pg2 h MET 479 Cb 1.18 -0.20 -0.02 0.00 -0.55 0.00 0.00 31.60 32.01 1pg2 h MET 479 CO 0.12 0.60 0.09 0.78 0.14 0.00 0.00 176.91 178.64 1pg2 h GLY 480 N 0.90 1.15 1.73 1.39 0.00 -1.23 -1.82 103.07 105.19 1pg2 h GLY 480 Ca 0.24 -0.78 -0.09 0.00 0.00 0.00 0.00 47.33 46.70 1pg2 h GLY 480 CO -0.05 0.72 -0.32 -2.22 0.00 0.00 0.00 176.54 174.67 1pg2 h ILE 481 N 0.98 1.28 -0.01 2.60 2.04 -0.97 -1.59 117.51 121.85 1pg2 h ILE 481 Ca 0.19 -1.33 -0.12 0.00 1.00 0.00 0.00 64.86 64.60 1pg2 h ILE 481 Cb 0.45 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1pg2 h ILE 481 CO 0.01 0.41 -0.57 0.78 0.00 0.00 0.00 178.15 178.78 1pg2 h ASN 482 N 0.28 0.03 -0.11 1.72 2.35 -0.78 -0.98 115.58 118.09 1pg2 h ASN 482 Ca 0.04 -0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.61 1pg2 h ASN 482 Cb 0.70 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 1pg2 h ASN 482 CO 0.05 0.60 -0.48 -0.07 -1.65 0.00 0.00 177.43 175.88 1pg2 h LEU 483 N 0.02 0.73 -0.72 1.61 3.38 -0.88 -2.67 115.31 116.78 1pg2 h LEU 483 Ca -0.01 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.56 1pg2 h LEU 483 Cb 1.02 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 1pg2 h LEU 483 CO 0.08 1.09 0.28 0.15 0.09 0.00 0.00 178.44 180.12 1pg2 h PHE 484 N 0.53 1.12 -0.59 1.13 3.57 -0.98 -1.80 116.94 119.92 1pg2 h PHE 484 Ca 0.03 -0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.48 1pg2 h PHE 484 Cb 1.03 -0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.39 1pg2 h PHE 484 CO 0.05 0.86 0.33 -0.09 -2.23 0.00 0.00 178.31 177.23 1pg2 h ARG 485 N 1.04 0.61 -0.24 1.11 1.12 -0.95 -0.42 114.38 116.65 1pg2 h ARG 485 Ca 0.24 -0.04 -0.03 0.00 -1.11 0.00 0.00 59.98 59.04 1pg2 h ARG 485 Cb 0.23 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.05 1pg2 h ARG 485 CO -0.02 0.40 0.02 0.28 -3.11 0.00 0.00 179.97 177.54 1pg2 h VAL 486 N 0.63 1.24 -0.47 0.20 2.07 -1.14 -2.54 116.25 116.24 1pg2 h VAL 486 Ca 0.25 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.94 1pg2 h VAL 486 Cb 0.12 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1pg2 h VAL 486 CO -0.15 0.26 0.30 -0.07 0.02 0.00 0.00 177.57 177.94 1pg2 h LEU 487 N 0.21 0.51 -1.88 2.57 3.38 -0.99 -2.00 115.31 117.11 1pg2 h LEU 487 Ca 0.07 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1pg2 h LEU 487 Cb 0.37 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1pg2 h LEU 487 CO 0.01 0.37 -0.13 0.24 0.09 0.00 0.00 178.44 179.02 1pg2 h MET 488 N 0.61 0.00 -0.19 1.13 2.86 -1.05 -1.33 114.93 116.97 1pg2 h MET 488 Ca 0.17 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.72 1pg2 h MET 488 Cb -0.05 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.61 1pg2 h MET 488 CO -0.05 0.13 -0.24 1.15 1.06 0.00 0.00 176.91 178.96 1pg2 h THR 489 N 0.00 1.34 -0.04 2.22 2.02 -0.94 0.08 112.91 117.59 1pg2 h THR 489 Ca -0.00 -1.44 -0.07 0.00 0.77 0.00 0.00 66.41 65.68 1pg2 h THR 489 Cb 0.33 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 1pg2 h THR 489 CO 0.02 0.44 -0.29 1.88 0.37 0.00 0.00 175.52 177.93 1pg2 h TYR 490 N 0.15 0.07 -0.01 3.16 0.05 -0.92 -2.66 116.97 116.82 1pg2 h TYR 490 Ca 0.02 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1pg2 h TYR 490 Cb 0.80 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.53 1pg2 h TYR 490 CO 0.09 0.35 -0.27 1.28 -1.05 0.00 0.00 178.16 178.56 1pg2 n LEU 491 N -4.17 1.09 -0.35 3.88 4.77 -0.55 -4.41 117.00 117.25 1pg2 n LEU 491 Ca -0.02 -0.29 0.13 0.00 -0.03 0.00 0.00 56.01 55.80 1pg2 n LEU 491 Cb 0.35 -0.11 0.33 0.00 -2.33 0.00 0.00 43.42 41.66 1pg2 n LEU 491 CO 0.38 0.20 1.20 0.50 -1.33 0.00 0.00 177.39 178.35 1pg2 h LYS 492 N 1.29 0.73 0.00 3.23 3.64 -0.60 0.40 116.57 125.26 1pg2 h LYS 492 Ca 0.00 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1pg2 h LYS 492 Cb 0.52 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1pg2 h LYS 492 CO 0.00 0.48 -0.17 -1.35 -2.27 0.00 0.00 179.45 176.14 1pg2 h PRO 493 N 0.75 0.00 0.11 1.90 0.11 -1.80 -3.29 132.00 129.78 1pg2 h PRO 493 Ca 0.57 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 66.37 1pg2 h PRO 493 Cb 0.90 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1pg2 h PRO 493 CO -0.36 0.17 -1.64 0.28 -0.21 0.00 0.00 178.00 176.24 1pg2 h VAL 494 N 0.00 0.85 -2.85 3.15 2.07 -1.26 -3.38 116.25 114.82 1pg2 h VAL 494 Ca -0.00 -2.35 -0.61 0.00 0.82 0.00 0.00 66.70 64.55 1pg2 h VAL 494 Cb 0.45 2.56 -0.42 0.00 -1.52 0.00 0.00 31.29 32.36 1pg2 h VAL 494 CO 0.02 0.73 -0.58 0.18 0.02 0.00 0.00 177.57 177.95 1pg2 n LEU 495 N -3.81 3.23 -0.21 2.57 4.77 -0.64 -4.57 117.00 118.33 1pg2 n LEU 495 Ca -0.29 -5.28 0.01 0.00 -0.03 0.00 0.00 56.01 50.43 1pg2 n LEU 495 Cb 0.94 -0.73 0.12 0.00 -2.33 0.00 0.00 43.42 41.42 1pg2 n LEU 495 CO 0.39 1.84 0.97 -0.65 -1.33 0.00 0.00 177.39 178.61 1pg2 h PRO 496 N 5.06 0.37 -0.06 3.23 0.11 -1.85 -0.93 132.00 137.93 1pg2 h PRO 496 Ca 0.16 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.18 1pg2 h PRO 496 Cb 0.73 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.76 1pg2 h PRO 496 CO 0.75 0.24 -0.26 0.87 -0.21 0.00 0.00 178.00 179.40 1pg2 h LYS 497 N 0.38 0.28 -0.67 1.05 1.79 -1.93 -2.39 116.57 115.08 1pg2 h LYS 497 Ca 0.33 -0.22 0.00 0.00 -2.18 0.00 0.00 60.65 58.58 1pg2 h LYS 497 Cb 0.44 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.10 1pg2 h LYS 497 CO -0.34 0.86 0.43 1.25 -1.08 0.00 0.00 179.45 180.56 1pg2 h LEU 498 N -0.24 0.78 -0.63 2.94 5.85 -1.90 -1.77 115.31 120.35 1pg2 h LEU 498 Ca -0.01 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1pg2 h LEU 498 Cb 0.90 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1pg2 h LEU 498 CO 0.05 0.58 0.37 0.74 -0.34 0.00 0.00 178.44 179.85 1pg2 h THR 499 N 0.92 1.19 -0.79 1.05 2.02 -1.12 0.11 112.91 116.28 1pg2 h THR 499 Ca 0.24 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 1pg2 h THR 499 Cb -0.08 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 66.63 1pg2 h THR 499 CO -0.05 0.20 0.41 -0.33 0.37 0.00 0.00 175.52 176.12 1pg2 h GLU 500 N 0.86 1.12 -0.43 6.66 5.08 -0.82 0.16 114.58 127.21 1pg2 h GLU 500 Ca 0.23 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 1pg2 h GLU 500 Cb -0.01 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 1pg2 h GLU 500 CO -0.04 0.84 -0.05 0.00 -1.00 0.00 0.00 179.01 178.76 1pg2 h ARG 501 N 1.10 0.73 -0.42 2.33 3.08 -0.75 -1.46 114.38 118.99 1pg2 h ARG 501 Ca 0.27 -0.21 -0.15 0.00 0.07 0.00 0.00 59.98 59.97 1pg2 h ARG 501 Cb 0.07 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1pg2 h ARG 501 CO -0.04 0.77 -0.32 0.00 -1.07 0.00 0.00 179.97 179.32 1pg2 h ALA 502 N 1.27 0.64 -0.28 0.04 0.00 -0.09 -2.31 119.26 118.53 1pg2 h ALA 502 Ca 0.13 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 1pg2 h ALA 502 Cb 0.49 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1pg2 h ALA 502 CO 0.03 0.68 -0.13 0.93 0.00 0.00 0.00 179.25 180.75 1pg2 h GLU 503 N 0.78 0.48 -0.46 0.00 5.08 -0.38 0.40 114.58 120.49 1pg2 h GLU 503 Ca 0.08 -0.14 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1pg2 h GLU 503 Cb 0.90 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1pg2 h GLU 503 CO 0.08 0.61 -0.03 0.00 -1.00 0.00 0.00 179.01 178.67 1pg2 h ALA 504 N 1.42 0.62 -0.19 3.43 0.00 -1.11 0.31 119.26 123.75 1pg2 h ALA 504 Ca 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1pg2 h ALA 504 Cb 0.50 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1pg2 h ALA 504 CO 0.03 0.45 0.05 0.35 0.00 0.00 0.00 179.25 180.12 1pg2 h PHE 505 N 0.67 0.31 0.00 0.00 3.57 -1.00 -3.06 116.94 117.44 1pg2 h PHE 505 Ca 0.13 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1pg2 h PHE 505 Cb 0.55 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1pg2 h PHE 505 CO 0.04 0.41 0.00 1.28 -2.23 0.00 0.00 178.31 177.82 1pg2 n LEU 506 N -4.79 0.25 -3.63 0.59 4.77 0.09 -0.82 117.00 113.47 1pg2 n LEU 506 Ca -0.04 0.53 -0.24 0.00 -0.03 0.00 0.00 56.01 56.23 1pg2 n LEU 506 Cb 0.16 -0.46 0.07 0.00 -2.33 0.00 0.00 43.42 40.86 1pg2 n LEU 506 CO 0.36 -0.14 0.23 0.59 -1.33 0.00 0.00 177.39 177.10 1pg2 n ASN 507 N -1.75 -6.08 -3.64 -1.43 5.03 0.06 -4.74 115.26 102.71 1pg2 n ASN 507 Ca 0.06 -0.57 -0.15 0.00 0.87 0.00 0.00 54.58 54.79 1pg2 n ASN 507 Cb 0.32 -4.91 -0.08 0.00 -1.02 0.00 0.00 39.78 34.09 1pg2 n ASN 507 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1pg2 s THR 508 N -3.32 0.01 0.10 3.41 2.01 -0.95 -5.06 115.64 111.84 1pg2 s THR 508 Ca 0.58 -0.08 -0.25 0.00 0.31 0.00 0.00 61.69 62.25 1pg2 s THR 508 Cb -0.26 -0.84 -0.07 0.00 0.01 0.00 0.00 72.50 71.35 1pg2 s THR 508 CO 0.74 -0.04 0.75 -0.70 -0.69 0.00 0.00 174.62 174.68 1pg2 s GLU 509 N -0.42 4.50 -0.30 4.92 2.12 -1.26 -4.49 118.70 123.76 1pg2 s GLU 509 Ca -0.06 1.07 -0.20 0.00 0.36 0.00 0.00 54.97 56.14 1pg2 s GLU 509 Cb -0.03 -3.31 -0.01 0.00 0.26 0.00 0.00 34.13 31.04 1pg2 s GLU 509 CO 0.04 0.43 0.64 -0.51 -0.54 0.00 0.00 175.26 175.32 1pg2 s LEU 510 N -0.60 4.14 0.19 2.70 1.43 -1.26 -5.04 118.68 120.24 1pg2 s LEU 510 Ca 0.36 0.44 0.11 0.00 -1.03 0.00 0.00 54.13 54.01 1pg2 s LEU 510 Cb -0.21 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.13 1pg2 s LEU 510 CO 0.24 -0.49 -0.20 0.42 0.23 0.00 0.00 176.35 176.55 1pg2 s THR 511 N 2.63 2.58 0.19 5.49 -4.23 -1.26 -5.03 115.64 116.01 1pg2 s THR 511 Ca 0.26 -1.91 -0.12 0.00 -1.18 0.00 0.00 61.69 58.73 1pg2 s THR 511 Cb -0.15 -2.25 0.10 0.00 1.34 0.00 0.00 72.50 71.54 1pg2 s THR 511 CO 0.12 -0.10 1.83 -0.25 -0.54 0.00 0.00 174.62 175.67 1pg2 h TRP 512 N 3.16 0.66 0.00 3.99 2.91 -1.93 -2.51 115.95 122.23 1pg2 h TRP 512 Ca -0.47 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.57 1pg2 h TRP 512 Cb 1.20 -0.22 0.00 0.00 -0.51 0.00 0.00 29.16 29.64 1pg2 h TRP 512 CO 0.67 0.38 -0.13 -0.44 -1.03 0.00 0.00 178.44 177.90 1pg2 h ASP 513 N 0.70 0.00 -0.02 2.65 3.32 -1.97 -3.32 116.42 117.78 1pg2 h ASP 513 Ca 0.23 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.28 1pg2 h ASP 513 Cb 0.02 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 1pg2 h ASP 513 CO -0.10 0.01 0.03 1.23 -1.72 0.00 0.00 179.24 178.68 1pg2 h GLY 514 N 4.18 0.00 2.00 2.75 0.00 -1.84 -2.25 103.07 107.90 1pg2 h GLY 514 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pg2 h GLY 514 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 176.54 176.70 1pg2 h ILE 515 N 0.00 0.00 0.00 2.60 3.07 -1.67 -1.30 117.51 120.21 1pg2 h ILE 515 Ca 0.01 -0.15 0.00 0.00 1.55 0.00 0.00 64.86 66.27 1pg2 h ILE 515 Cb 0.06 1.08 0.00 0.00 -0.27 0.00 0.00 36.82 37.69 1pg2 h ILE 515 CO -0.00 0.00 0.00 1.56 -1.05 0.00 0.00 178.15 178.66 1pg2 h GLN 516 N 0.00 0.00 -3.60 0.16 1.08 -1.69 -3.35 115.11 107.71 1pg2 h GLN 516 Ca 0.00 0.00 -0.65 0.00 -1.45 0.00 0.00 58.65 56.55 1pg2 h GLN 516 Cb 0.16 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 27.19 1pg2 h GLN 516 CO 0.00 0.00 -0.62 -0.65 -0.95 0.00 0.00 178.83 176.61 1pg2 s GLN 517 N -3.54 1.95 0.85 1.46 1.11 -0.49 -5.11 119.66 115.89 1pg2 s GLN 517 Ca 0.02 -2.50 -0.12 0.00 0.01 0.00 0.00 55.36 52.76 1pg2 s GLN 517 Cb 0.09 -3.34 0.11 0.00 -1.01 0.00 0.00 33.01 28.86 1pg2 s GLN 517 CO 0.43 -1.09 1.17 -0.35 0.01 0.00 0.00 175.29 175.46 1pg2 n PRO 518 N 3.31 -0.06 -2.53 2.91 -0.04 -1.26 -4.91 135.00 132.43 1pg2 n PRO 518 Ca 0.05 0.06 -0.43 0.00 -0.04 0.00 0.00 63.50 63.14 1pg2 n PRO 518 Cb 0.34 -2.40 -0.02 0.00 -0.04 0.00 0.00 33.50 31.37 1pg2 n PRO 518 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1pg2 s LEU 519 N -5.90 3.81 -0.02 1.53 1.43 -1.26 -5.01 118.68 113.25 1pg2 s LEU 519 Ca 0.71 0.94 0.07 0.00 -1.03 0.00 0.00 54.13 54.82 1pg2 s LEU 519 Cb -0.27 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.39 1pg2 s LEU 519 CO 0.54 -1.09 -0.23 -0.76 0.23 0.00 0.00 176.35 175.03 1pg2 s LEU 520 N 4.27 2.04 -1.59 1.79 1.43 -1.26 -4.67 118.68 120.69 1pg2 s LEU 520 Ca 0.51 -0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 53.07 1pg2 s LEU 520 Cb -0.13 -1.22 0.10 0.00 0.03 0.00 0.00 46.19 44.97 1pg2 s LEU 520 CO 0.24 0.28 0.66 0.61 0.23 0.00 0.00 176.35 178.37 1pg2 n GLY 521 N 2.56 -0.37 3.42 -3.19 0.00 -0.67 -4.92 105.19 102.03 1pg2 n GLY 521 Ca -0.16 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1pg2 n GLY 521 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pg2 s HIS 522 N -3.54 2.75 -0.17 1.61 5.04 -1.25 -4.86 115.29 114.87 1pg2 s HIS 522 Ca 0.47 -0.40 -0.22 0.00 -1.54 0.00 0.00 55.06 53.37 1pg2 s HIS 522 Cb -0.25 -1.73 -0.02 0.00 0.04 0.00 0.00 32.58 30.61 1pg2 s HIS 522 CO 0.91 -0.01 0.68 0.21 -2.34 0.00 0.00 174.74 174.19 1pg2 s LYS 523 N -0.21 4.27 0.26 2.88 2.47 -1.26 -0.94 119.74 127.22 1pg2 s LYS 523 Ca 0.00 0.75 0.07 0.00 -1.56 0.00 0.00 55.97 55.23 1pg2 s LYS 523 Cb -0.13 -3.55 -0.04 0.00 -1.46 0.00 0.00 37.83 32.65 1pg2 s LYS 523 CO 0.03 -0.20 0.18 0.14 0.16 0.00 0.00 175.35 175.66 1pg2 s VAL 524 N 1.75 4.29 0.19 4.02 -7.23 0.36 -4.65 120.40 119.13 1pg2 s VAL 524 Ca 0.32 -1.45 0.04 0.00 -1.81 0.00 0.00 61.98 59.08 1pg2 s VAL 524 Cb -0.16 -3.34 -0.03 0.00 0.56 0.00 0.00 36.38 33.41 1pg2 s VAL 524 CO 0.12 -0.34 0.27 0.20 -0.31 0.00 0.00 175.10 175.04 1pg2 s ASN 525 N -3.84 6.10 0.67 4.85 0.01 0.00 -4.69 114.94 118.05 1pg2 s ASN 525 Ca 0.33 0.04 -0.14 0.00 -0.71 0.00 0.00 52.86 52.38 1pg2 s ASN 525 Cb -0.08 -1.75 0.01 0.00 0.41 0.00 0.00 41.25 39.84 1pg2 s ASN 525 CO 0.25 0.00 1.09 -2.84 -1.51 0.00 0.00 177.10 174.09 1pg2 s PRO 526 N -3.53 2.80 -0.03 -0.60 0.02 -1.26 -4.81 135.00 127.59 1pg2 s PRO 526 Ca 0.34 1.27 -0.07 0.00 0.02 0.00 0.00 61.00 62.56 1pg2 s PRO 526 Cb -0.10 -1.96 0.01 0.00 0.02 0.00 0.00 34.50 32.47 1pg2 s PRO 526 CO 0.27 -1.24 0.16 -0.59 -0.33 0.00 0.00 177.00 175.28 1pg2 s PHE 527 N -2.53 -0.07 0.61 6.54 -0.71 -1.26 -4.91 117.98 115.65 1pg2 s PHE 527 Ca 0.64 0.14 -0.08 0.00 -1.04 0.00 0.00 56.93 56.60 1pg2 s PHE 527 Cb -0.18 0.01 -0.00 0.00 -1.21 0.00 0.00 43.02 41.63 1pg2 s PHE 527 CO 0.45 -0.21 0.96 0.21 -1.34 0.00 0.00 175.22 175.29 1pg2 s LYS 528 N -0.74 3.06 -0.17 1.99 2.20 -1.26 -4.90 119.74 119.92 1pg2 s LYS 528 Ca -0.08 0.24 -0.30 0.00 -0.36 0.00 0.00 55.97 55.47 1pg2 s LYS 528 Cb -0.05 -2.19 -0.14 0.00 -1.51 0.00 0.00 37.83 33.94 1pg2 s LYS 528 CO 0.01 -0.72 0.91 0.00 -0.36 0.00 0.00 175.35 175.20 1pg2 n ALA 529 N -2.68 -1.76 0.11 3.13 0.00 -1.26 -4.82 120.51 113.23 1pg2 n ALA 529 Ca 0.05 0.37 -0.01 0.00 0.00 0.00 0.00 53.44 53.85 1pg2 n ALA 529 Cb 0.57 -1.25 -0.00 0.00 0.00 0.00 0.00 19.45 18.76 1pg2 n ALA 529 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1pg2 h LEU 530 N 2.73 0.00 -6.66 0.00 3.38 -1.96 -3.45 115.31 109.36 1pg2 h LEU 530 Ca -0.32 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.76 1pg2 h LEU 530 Cb 0.95 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.49 1pg2 h LEU 530 CO 0.56 0.70 -0.06 -0.47 0.09 0.00 0.00 178.44 179.26 1pg2 s TYR 531 N -2.94 -1.19 0.30 1.13 6.14 -1.26 -4.92 117.35 114.61 1pg2 s TYR 531 Ca 0.02 1.86 -0.14 0.00 0.64 0.00 0.00 57.07 59.45 1pg2 s TYR 531 Cb 0.09 0.64 -0.09 0.00 0.42 0.00 0.00 41.96 43.03 1pg2 s TYR 531 CO 0.77 -0.61 0.70 -0.80 0.64 0.00 0.00 175.55 176.26 1pg2 s ASN 532 N 2.79 6.77 0.62 4.32 0.01 -1.26 -4.85 114.94 123.33 1pg2 s ASN 532 Ca -0.00 1.23 -0.18 0.00 -0.71 0.00 0.00 52.86 53.20 1pg2 s ASN 532 Cb -0.11 -2.35 -0.02 0.00 0.41 0.00 0.00 41.25 39.18 1pg2 s ASN 532 CO -0.19 -0.17 1.18 -0.13 -1.51 0.00 0.00 177.10 176.29 1pg2 s ARG 533 N -2.88 2.86 0.32 -0.60 0.52 -1.26 -5.01 118.95 112.91 1pg2 s ARG 533 Ca 0.52 1.70 0.08 0.00 -0.52 0.00 0.00 55.73 57.52 1pg2 s ARG 533 Cb -0.11 -1.93 -0.04 0.00 0.52 0.00 0.00 34.95 33.39 1pg2 s ARG 533 CO 0.18 -1.26 0.13 0.96 0.02 0.00 0.00 175.30 175.33 1pg2 s ILE 534 N -1.82 3.19 0.14 1.52 -4.36 -1.26 -5.12 121.20 113.49 1pg2 s ILE 534 Ca 0.74 -1.69 0.00 0.00 -0.26 0.00 0.00 60.65 59.45 1pg2 s ILE 534 Cb -0.27 -2.99 -0.04 0.00 1.25 0.00 0.00 42.46 40.40 1pg2 s ILE 534 CO 0.36 -0.22 0.01 1.51 0.24 0.00 0.00 174.94 176.84 1pg2 s ASP 535 N -3.83 0.81 0.59 4.36 -4.77 -1.26 -4.94 116.67 107.62 1pg2 s ASP 535 Ca 0.37 -1.16 0.31 0.00 -3.30 0.00 0.00 52.55 48.76 1pg2 s ASP 535 Cb -0.04 0.19 1.81 0.00 -1.09 0.00 0.00 42.92 43.79 1pg2 s ASP 535 CO 0.23 -0.62 2.23 0.24 0.70 0.00 0.00 175.17 177.95 1pg2 h MET 536 N 2.82 0.00 -0.14 2.11 2.86 -1.98 -1.67 114.93 118.93 1pg2 h MET 536 Ca -0.36 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.23 1pg2 h MET 536 Cb 1.19 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 1pg2 h MET 536 CO 0.62 0.02 -0.15 0.00 1.06 0.00 0.00 176.91 178.46 1pg2 h ARG 537 N 0.00 0.22 -0.14 1.72 3.08 -1.99 0.19 114.38 117.47 1pg2 h ARG 537 Ca -0.00 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.84 1pg2 h ARG 537 Cb 0.06 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1pg2 h ARG 537 CO 0.00 0.38 -0.58 1.96 -1.07 0.00 0.00 179.97 180.66 1pg2 h GLN 538 N 0.21 0.44 -0.36 0.04 4.20 -1.72 -1.50 115.11 116.42 1pg2 h GLN 538 Ca 0.04 -0.29 -0.09 0.00 0.06 0.00 0.00 58.65 58.38 1pg2 h GLN 538 Cb 0.40 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1pg2 h GLN 538 CO 0.02 0.89 -0.11 0.28 -0.67 0.00 0.00 178.83 179.25 1pg2 h VAL 539 N 0.33 1.28 -0.89 -0.54 2.07 -1.32 -1.35 116.25 115.83 1pg2 h VAL 539 Ca -0.00 -1.19 0.02 0.00 0.82 0.00 0.00 66.70 66.34 1pg2 h VAL 539 Cb 1.11 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 32.15 1pg2 h VAL 539 CO 0.10 0.39 0.59 -0.33 0.02 0.00 0.00 177.57 178.34 1pg2 h GLU 540 N 0.49 1.14 -0.61 1.57 5.08 -0.83 -1.29 114.58 120.13 1pg2 h GLU 540 Ca 0.09 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1pg2 h GLU 540 Cb 0.63 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 1pg2 h GLU 540 CO 0.04 0.76 0.17 0.00 -1.00 0.00 0.00 179.01 178.97 1pg2 h ALA 541 N 1.34 0.80 -0.20 3.43 0.00 -1.07 -1.13 119.26 122.44 1pg2 h ALA 541 Ca 0.34 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1pg2 h ALA 541 Cb -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1pg2 h ALA 541 CO -0.09 0.49 0.12 1.25 0.00 0.00 0.00 179.25 181.02 1pg2 h LEU 542 N 0.88 0.24 -0.47 0.00 5.85 -0.70 0.34 115.31 121.44 1pg2 h LEU 542 Ca 0.19 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1pg2 h LEU 542 Cb 0.33 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1pg2 h LEU 542 CO -0.00 0.22 0.22 0.58 -0.34 0.00 0.00 178.44 179.11 1pg2 h VAL 543 N 0.23 1.19 -0.54 1.05 2.07 -1.13 -0.32 116.25 118.81 1pg2 h VAL 543 Ca 0.07 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1pg2 h VAL 543 Cb 0.03 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1pg2 h VAL 543 CO -0.01 0.22 0.22 -0.33 0.02 0.00 0.00 177.57 177.69 1pg2 h GLU 544 N 0.62 0.79 -0.81 1.57 4.39 -1.06 -1.32 114.58 118.77 1pg2 h GLU 544 Ca 0.16 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 1pg2 h GLU 544 Cb 0.14 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.62 1pg2 h GLU 544 CO -0.02 0.68 0.41 0.00 -1.16 0.00 0.00 179.01 178.92 1pg2 h ALA 545 N 1.07 1.20 -0.03 3.43 0.00 -0.69 -2.13 119.26 122.11 1pg2 h ALA 545 Ca 0.18 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1pg2 h ALA 545 Cb 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1pg2 h ALA 545 CO -0.02 0.62 -0.35 0.77 0.00 0.00 0.00 179.25 180.27 1pg2 h SER 546 N 1.14 0.06 -0.19 0.00 0.02 -0.55 -2.67 113.55 111.36 1pg2 h SER 546 Ca 0.28 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 61.14 1pg2 h SER 546 Cb 0.08 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 1pg2 h SER 546 CO -0.04 0.41 -0.14 0.11 -1.14 0.00 0.00 176.83 176.03 1pg2 h LYS 547 N 0.05 0.44 0.00 3.45 1.57 -0.72 -3.17 116.57 118.19 1pg2 h LYS 547 Ca 0.00 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1pg2 h LYS 547 Cb 0.65 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 1pg2 h LYS 547 CO 0.05 0.76 -0.02 0.93 -0.57 0.00 0.00 179.45 180.60 1pg2 h GLU 548 N 0.12 0.00 -0.02 3.15 5.08 -1.15 -2.48 114.58 119.27 1pg2 h GLU 548 Ca 0.04 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.23 1pg2 h GLU 548 Cb 0.66 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1pg2 h GLU 548 CO 0.04 0.02 -0.74 0.93 -1.00 0.00 0.00 179.01 178.26 1pg2 h GLU 549 N 0.00 0.16 0.00 2.33 5.08 -1.45 -3.52 114.58 117.18 1pg2 h GLU 549 Ca -0.00 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1pg2 h GLU 549 Cb 0.04 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1pg2 h GLU 549 CO 0.00 0.82 0.00 1.33 -1.00 0.00 0.00 179.01 180.17