#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y79 s THR 2 N 0.00 4.65 0.02 12.58 2.01 -1.26 -4.99 115.64 128.65 1y79 s THR 2 Ca 0.00 -0.13 -0.16 0.00 0.31 0.00 0.00 61.69 61.71 1y79 s THR 2 Cb 0.00 -4.40 0.03 0.00 0.01 0.00 0.00 72.50 68.13 1y79 s THR 2 CO 0.00 -0.94 0.34 -0.04 -0.69 0.00 0.00 174.62 173.29 1y79 s MET 3 N 3.23 0.79 -0.42 4.92 -1.94 -1.26 -5.13 119.30 119.49 1y79 s MET 3 Ca 0.22 -0.34 -0.39 0.00 -1.71 0.00 0.00 55.69 53.48 1y79 s MET 3 Cb -0.16 0.35 -0.16 0.00 2.01 0.00 0.00 34.83 36.86 1y79 s MET 3 CO 0.15 -0.25 1.56 -1.71 -0.01 0.00 0.00 175.02 174.77 1y79 n ASN 4 N 0.82 0.84 0.23 3.03 5.15 -1.26 -4.87 115.26 119.21 1y79 n ASN 4 Ca -0.20 0.80 0.16 0.00 -0.60 0.00 0.00 54.58 54.74 1y79 n ASN 4 Cb 0.58 -0.75 0.59 0.00 -0.53 0.00 0.00 39.78 39.67 1y79 n ASN 4 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1y79 h PRO 5 N 5.79 0.00 0.00 1.20 0.11 -1.91 -2.76 132.00 134.42 1y79 h PRO 5 Ca -0.24 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.74 1y79 h PRO 5 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1y79 h PRO 5 CO 0.87 0.00 -0.62 0.74 -0.21 0.00 0.00 178.00 178.79 1y79 h PHE 6 N 0.00 0.00 -0.06 0.65 -1.00 -1.94 -3.20 116.94 111.39 1y79 h PHE 6 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1y79 h PHE 6 Cb 0.53 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.09 1y79 h PHE 6 CO 0.00 0.62 0.00 1.28 -1.61 0.00 0.00 178.31 178.60 1y79 n LEU 7 N -3.55 0.83 -3.71 1.54 4.77 -1.04 -4.67 117.00 111.17 1y79 n LEU 7 Ca -0.00 -0.42 -0.11 0.00 -0.03 0.00 0.00 56.01 55.45 1y79 n LEU 7 Cb 0.67 -0.26 -0.12 0.00 -2.33 0.00 0.00 43.42 41.38 1y79 n LEU 7 CO 0.41 0.18 -0.02 0.68 -1.33 0.00 0.00 177.39 177.31 1y79 s VAL 8 N -1.56 -0.04 -0.03 4.08 -7.23 -1.21 -5.11 120.40 109.31 1y79 s VAL 8 Ca 0.04 0.12 -0.30 0.00 -1.81 0.00 0.00 61.98 60.03 1y79 s VAL 8 Cb 0.03 -0.51 -0.06 0.00 0.56 0.00 0.00 36.38 36.40 1y79 s VAL 8 CO 0.02 0.05 1.55 -1.58 -0.31 0.00 0.00 175.10 174.83 1y79 s GLN 9 N 1.35 4.21 0.23 4.82 0.74 -1.26 -4.92 119.66 124.83 1y79 s GLN 9 Ca -0.09 2.11 -0.27 0.00 0.05 0.00 0.00 55.36 57.15 1y79 s GLN 9 Cb -0.09 -3.79 -0.17 0.00 1.10 0.00 0.00 33.01 30.06 1y79 s GLN 9 CO -0.11 -0.75 0.51 0.45 -0.55 0.00 0.00 175.29 174.85 1y79 n SER 10 N 6.37 -1.24 0.00 6.67 2.88 -1.26 -4.88 113.62 122.15 1y79 n SER 10 Ca 0.16 1.10 0.11 0.00 -1.33 0.00 0.00 58.87 58.90 1y79 n SER 10 Cb 0.43 -0.97 -0.05 0.00 -0.75 0.00 0.00 64.21 62.87 1y79 n SER 10 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1y79 n THR 11 N -0.09 0.03 -1.54 2.46 -2.24 -1.26 -4.68 114.28 106.96 1y79 n THR 11 Ca 0.17 -0.09 -0.35 0.00 -2.27 0.00 0.00 64.05 61.51 1y79 n THR 11 Cb 0.27 0.66 0.08 0.00 -2.10 0.00 0.00 70.33 69.25 1y79 n THR 11 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1y79 s LEU 12 N -3.31 3.40 0.88 3.22 1.43 -1.26 -4.89 118.68 118.14 1y79 s LEU 12 Ca 0.06 2.42 -0.13 0.00 -1.03 0.00 0.00 54.13 55.44 1y79 s LEU 12 Cb 0.16 -4.60 0.04 0.00 0.03 0.00 0.00 46.19 41.82 1y79 s LEU 12 CO 0.84 -2.16 0.61 -0.81 0.23 0.00 0.00 176.35 175.06 1y79 n PRO 13 N -2.46 -0.12 -0.94 1.29 -0.04 -1.26 -1.42 135.00 130.04 1y79 n PRO 13 Ca 0.14 0.02 -0.05 0.00 -0.04 0.00 0.00 63.50 63.57 1y79 n PRO 13 Cb 0.50 -1.98 -0.02 0.00 -0.04 0.00 0.00 33.50 31.96 1y79 n PRO 13 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1y79 n TYR 14 N -3.36 -0.48 -2.18 0.54 4.02 -1.26 0.10 117.16 114.55 1y79 n TYR 14 Ca 0.09 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.82 1y79 n TYR 14 Cb 0.52 -1.57 -0.02 0.00 -0.02 0.00 0.00 39.34 38.26 1y79 n TYR 14 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1y79 n LEU 15 N -1.03 -1.64 -4.57 7.72 4.77 -0.51 -4.84 117.00 116.90 1y79 n LEU 15 Ca -0.05 0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1y79 n LEU 15 Cb 0.20 -2.36 0.01 0.00 -2.33 0.00 0.00 43.42 38.94 1y79 n LEU 15 CO 0.07 -0.27 0.45 0.00 -1.33 0.00 0.00 177.39 176.31 1y79 n ALA 16 N -1.30 -0.29 -1.86 -1.18 0.00 0.29 -4.74 120.51 111.42 1y79 n ALA 16 Ca -0.19 0.22 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 1y79 n ALA 16 Cb 0.63 -2.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.05 1y79 n ALA 16 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1y79 s PRO 17 N -1.90 4.19 -1.36 0.00 0.02 -1.26 -4.56 135.00 130.12 1y79 s PRO 17 Ca 0.64 2.44 -0.16 0.00 0.02 0.00 0.00 61.00 63.94 1y79 s PRO 17 Cb -0.58 -3.12 0.07 0.00 0.02 0.00 0.00 34.50 30.89 1y79 s PRO 17 CO 0.57 -0.63 1.94 0.72 -0.33 0.00 0.00 177.00 179.27 1y79 n HIS 18 N 3.62 4.14 0.31 6.54 8.25 -1.26 -4.71 115.22 132.11 1y79 n HIS 18 Ca 0.13 -2.92 0.21 0.00 -0.26 0.00 0.00 57.72 54.88 1y79 n HIS 18 Cb 0.38 -2.56 1.01 0.00 1.12 0.00 0.00 29.99 29.94 1y79 n HIS 18 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 1y79 h PHE 19 N 6.82 0.00 0.00 4.41 -1.00 -1.90 -1.24 116.94 124.03 1y79 h PHE 19 Ca 0.49 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.27 1y79 h PHE 19 Cb 0.76 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.32 1y79 h PHE 19 CO 1.42 0.00 0.00 -0.40 -1.61 0.00 0.00 178.31 177.72 1y79 n ASP 20 N -3.10 0.10 -0.00 2.17 5.75 -1.26 -3.46 116.55 116.74 1y79 n ASP 20 Ca -0.02 0.52 0.02 0.00 -0.01 0.00 0.00 54.79 55.30 1y79 n ASP 20 Cb 0.16 -0.54 -0.03 0.00 -1.03 0.00 0.00 41.12 39.68 1y79 n ASP 20 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1y79 n GLN 21 N -1.60 0.46 -2.15 0.11 6.02 -0.51 -5.02 117.38 114.70 1y79 n GLN 21 Ca 0.05 -0.03 -0.42 0.00 -0.01 0.00 0.00 57.00 56.59 1y79 n GLN 21 Cb 0.27 -1.10 -0.03 0.00 1.02 0.00 0.00 30.24 30.41 1y79 n GLN 21 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1y79 s ILE 22 N -2.27 3.20 0.08 5.09 1.01 -0.96 -4.81 121.20 122.54 1y79 s ILE 22 Ca -0.02 0.89 0.03 0.00 0.00 0.00 0.00 60.65 61.56 1y79 s ILE 22 Cb 0.03 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 38.89 1y79 s ILE 22 CO 0.17 0.08 -0.10 0.00 0.00 0.00 0.00 174.94 175.10 1y79 s ALA 23 N 0.88 0.98 0.28 9.38 0.00 -1.26 -5.00 121.76 127.02 1y79 s ALA 23 Ca 0.63 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 51.54 1y79 s ALA 23 Cb -0.38 0.02 0.67 0.00 0.00 0.00 0.00 23.12 23.44 1y79 s ALA 23 CO 0.32 -0.02 1.65 -0.91 0.00 0.00 0.00 175.76 176.80 1y79 h ASN 24 N 3.87 -0.04 0.22 0.00 2.35 -2.03 0.15 115.58 120.11 1y79 h ASN 24 Ca -0.37 0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1y79 h ASN 24 Cb 1.19 0.27 0.00 0.00 0.05 0.00 0.00 38.32 39.83 1y79 h ASN 24 CO 0.49 -0.15 0.00 1.12 -1.65 0.00 0.00 177.43 177.24 1y79 h HIS 25 N 0.20 0.00 0.00 1.19 2.07 -2.00 -2.76 115.15 113.85 1y79 h HIS 25 Ca 0.53 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.95 1y79 h HIS 25 Cb 1.05 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.02 1y79 h HIS 25 CO -0.28 0.00 -0.46 0.45 -3.07 0.00 0.00 177.93 174.57 1y79 h HIS 26 N 0.00 0.00 0.90 6.12 3.86 -1.37 -3.38 115.15 121.28 1y79 h HIS 26 Ca 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 1y79 h HIS 26 Cb 0.11 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.59 1y79 h HIS 26 CO 0.00 0.46 -0.43 1.88 0.86 0.00 0.00 177.93 180.70 1y79 h TYR 27 N 0.00 -1.12 -0.47 2.45 0.05 -1.64 -2.18 116.97 114.06 1y79 h TYR 27 Ca -0.00 -0.03 0.09 0.00 0.05 0.00 0.00 58.73 58.84 1y79 h TYR 27 Cb 1.00 0.37 -0.09 0.00 1.01 0.00 0.00 36.73 39.02 1y79 h TYR 27 CO 0.00 -0.69 -0.12 -0.09 -1.05 0.00 0.00 178.16 176.21 1y79 h ARG 28 N -1.28 -0.00 -0.20 4.88 9.65 -1.79 0.40 114.38 126.04 1y79 h ARG 28 Ca -0.12 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.77 1y79 h ARG 28 Cb 0.92 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.49 1y79 h ARG 28 CO 0.20 -0.00 0.09 -1.35 2.80 0.00 0.00 179.97 181.71 1y79 h PRO 29 N -0.00 0.19 -0.09 0.20 0.11 -1.73 -2.13 132.00 128.55 1y79 h PRO 29 Ca 0.22 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 66.20 1y79 h PRO 29 Cb 0.34 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 1y79 h PRO 29 CO -0.48 0.13 -0.49 0.00 -0.21 0.00 0.00 178.00 176.95 1y79 h ALA 30 N 1.11 1.01 -0.30 -0.75 0.00 -0.80 -2.27 119.26 117.25 1y79 h ALA 30 Ca 0.08 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1y79 h ALA 30 Cb 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1y79 h ALA 30 CO -0.07 0.65 -0.17 0.35 0.00 0.00 0.00 179.25 180.01 1y79 h PHE 31 N 0.18 0.59 -0.18 0.00 3.57 -0.01 -1.37 116.94 119.72 1y79 h PHE 31 Ca 0.01 -0.11 -0.08 0.00 3.53 0.00 0.00 57.97 61.32 1y79 h PHE 31 Cb 0.93 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.52 1y79 h PHE 31 CO 0.02 0.68 -0.22 -0.44 -2.23 0.00 0.00 178.31 176.12 1y79 h ASP 32 N 0.49 0.50 -0.74 0.41 3.32 -1.12 0.21 116.42 119.49 1y79 h ASP 32 Ca 0.08 -0.50 0.11 0.00 0.02 0.00 0.00 57.03 56.74 1y79 h ASP 32 Cb 0.57 -0.14 -0.08 0.00 0.22 0.00 0.00 39.33 39.90 1y79 h ASP 32 CO 0.04 0.90 0.35 -0.33 -1.72 0.00 0.00 179.24 178.48 1y79 h GLU 33 N 0.11 0.55 -0.30 3.56 4.39 -1.18 0.29 114.58 122.00 1y79 h GLU 33 Ca 0.02 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 1y79 h GLU 33 Cb 0.78 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1y79 h GLU 33 CO 0.05 0.36 -0.07 0.78 -1.16 0.00 0.00 179.01 178.98 1y79 h GLY 34 N 0.56 0.62 0.81 -3.84 0.00 -1.07 -0.26 103.07 99.89 1y79 h GLY 34 Ca 0.38 -0.51 0.01 0.00 0.00 0.00 0.00 47.33 47.22 1y79 h GLY 34 CO -0.32 0.46 -0.09 1.98 0.00 0.00 0.00 176.54 178.57 1y79 h MET 35 N 0.34 -0.17 0.28 4.80 1.85 0.57 0.14 114.93 122.74 1y79 h MET 35 Ca 0.08 0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.18 1y79 h MET 35 Cb 0.55 0.04 -0.03 0.00 0.43 0.00 0.00 31.60 32.59 1y79 h MET 35 CO 0.03 -0.11 -0.42 0.37 -0.40 0.00 0.00 176.91 176.37 1y79 h GLN 36 N -0.17 -0.71 0.25 0.39 4.15 -0.46 0.42 115.11 118.98 1y79 h GLN 36 Ca 0.03 0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.50 1y79 h GLN 36 Cb 0.20 0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 1y79 h GLN 36 CO -0.07 -0.47 -0.37 1.96 -1.93 0.00 0.00 178.83 177.94 1y79 h GLN 37 N -0.74 -0.66 -0.50 1.69 4.20 -0.95 -0.75 115.11 117.41 1y79 h GLN 37 Ca -0.03 0.05 0.10 0.00 0.06 0.00 0.00 58.65 58.82 1y79 h GLN 37 Cb 0.68 0.15 -0.10 0.00 0.30 0.00 0.00 27.48 28.50 1y79 h GLN 37 CO -0.13 -0.44 -0.30 -0.22 -0.67 0.00 0.00 178.83 177.07 1y79 h LYS 38 N -0.69 -0.17 -0.18 1.46 1.63 -0.67 0.54 116.57 118.50 1y79 h LYS 38 Ca -0.00 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1y79 h LYS 38 Cb 0.66 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 1y79 h LYS 38 CO -0.14 -0.11 0.10 0.00 -3.45 0.00 0.00 179.45 175.84 1y79 h ARG 39 N -0.18 0.24 -0.11 1.90 3.08 -0.62 -2.47 114.38 116.22 1y79 h ARG 39 Ca 0.21 -0.02 -0.18 0.00 0.07 0.00 0.00 59.98 60.06 1y79 h ARG 39 Cb 0.53 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.53 1y79 h ARG 39 CO -0.60 0.18 -0.63 0.00 -1.07 0.00 0.00 179.97 177.85 1y79 h ALA 40 N 1.86 0.23 0.00 0.04 0.00 0.53 -2.99 119.26 118.93 1y79 h ALA 40 Ca 0.07 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1y79 h ALA 40 Cb 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1y79 h ALA 40 CO -0.01 0.51 -0.04 0.93 0.00 0.00 0.00 179.25 180.63 1y79 h GLU 41 N 0.28 0.00 0.03 0.00 5.08 -0.54 -2.40 114.58 117.02 1y79 h GLU 41 Ca -0.05 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1y79 h GLU 41 Cb 1.28 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.53 1y79 h GLU 41 CO 0.13 0.04 -0.31 0.82 -1.00 0.00 0.00 179.01 178.69 1y79 h ILE 42 N 0.00 1.60 -0.83 3.13 2.04 -1.44 -2.52 117.51 119.49 1y79 h ILE 42 Ca -0.00 -2.17 0.17 0.00 1.00 0.00 0.00 64.86 63.86 1y79 h ILE 42 Cb 0.09 3.02 -0.11 0.00 -0.74 0.00 0.00 36.82 39.08 1y79 h ILE 42 CO 0.01 0.59 0.36 0.00 0.00 0.00 0.00 178.15 179.11 1y79 h ALA 43 N 0.16 1.25 -0.32 1.87 0.00 -1.33 0.76 119.26 121.64 1y79 h ALA 43 Ca -0.05 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1y79 h ALA 43 Cb 1.14 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1y79 h ALA 43 CO 0.06 -0.23 0.10 0.00 0.00 0.00 0.00 179.25 179.18 1y79 h ALA 44 N 1.61 0.42 -0.55 0.00 0.00 -1.48 -2.66 119.26 116.60 1y79 h ALA 44 Ca 0.48 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 1y79 h ALA 44 Cb 0.79 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1y79 h ALA 44 CO -0.44 0.05 -0.01 0.82 0.00 0.00 0.00 179.25 179.67 1y79 h ILE 45 N 0.36 1.26 0.00 0.00 2.04 -0.59 -1.64 117.51 118.95 1y79 h ILE 45 Ca 0.10 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.84 1y79 h ILE 45 Cb 0.24 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1y79 h ILE 45 CO -0.00 0.40 0.00 0.00 0.00 0.00 0.00 178.15 178.55 1y79 n ALA 46 N -2.46 2.48 -1.37 1.87 0.00 0.25 -3.49 120.51 117.79 1y79 n ALA 46 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1y79 n ALA 46 Cb 0.34 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1y79 n ALA 46 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1y79 n LEU 47 N -0.30 0.00 -4.11 0.00 4.77 -1.02 -4.80 117.00 111.55 1y79 n LEU 47 Ca 0.00 -0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 1y79 n LEU 47 Cb 0.10 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.29 1y79 n LEU 47 CO 0.00 0.09 -1.29 0.59 -1.33 0.00 0.00 177.39 175.45 1y79 n ASN 48 N 0.00 -2.70 0.00 -1.43 3.02 -0.64 -4.70 115.26 108.81 1y79 n ASN 48 Ca 0.00 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1y79 n ASN 48 Cb 0.25 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 1y79 n ASN 48 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1y79 n PRO 49 N 0.31 0.00 0.00 3.52 -0.02 -1.26 -4.75 135.00 132.80 1y79 n PRO 49 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1y79 n PRO 49 Cb 0.65 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.13 1y79 n PRO 49 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1y79 n GLN 50 N 0.00 0.00 -2.51 -0.52 1.13 -1.26 -5.10 117.38 109.13 1y79 n GLN 50 Ca 0.00 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.63 1y79 n GLN 50 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.33 1y79 n GLN 50 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1y79 s MET 51 N -1.69 4.06 0.73 -1.09 -1.94 -1.26 -5.01 119.30 113.10 1y79 s MET 51 Ca 0.00 1.29 -0.12 0.00 -1.71 0.00 0.00 55.69 55.15 1y79 s MET 51 Cb 0.00 -3.79 0.04 0.00 2.01 0.00 0.00 34.83 33.09 1y79 s MET 51 CO 0.00 -0.93 1.10 -2.14 -0.01 0.00 0.00 175.02 173.04 1y79 s PRO 52 N 3.79 2.42 0.04 2.03 0.02 -1.26 -5.03 135.00 137.00 1y79 s PRO 52 Ca 0.52 1.27 -0.27 0.00 0.02 0.00 0.00 61.00 62.53 1y79 s PRO 52 Cb -0.16 -1.91 0.09 0.00 0.02 0.00 0.00 34.50 32.54 1y79 s PRO 52 CO 0.18 -1.53 0.84 0.34 -0.33 0.00 0.00 177.00 176.50 1y79 s ASP 53 N -3.05 -0.38 0.00 2.53 -1.08 -1.26 -4.88 116.67 108.55 1y79 s ASP 53 Ca 0.64 -0.04 0.00 0.00 -0.52 0.00 0.00 52.55 52.63 1y79 s ASP 53 Cb -0.19 0.43 0.00 0.00 -1.46 0.00 0.00 42.92 41.70 1y79 s ASP 53 CO 0.51 -0.71 0.61 0.33 0.52 0.00 0.00 175.17 176.42 1y79 n PHE 54 N -0.29 0.00 -0.52 -5.34 7.35 -1.26 -2.04 117.46 115.37 1y79 n PHE 54 Ca -0.10 0.00 0.42 0.00 -0.76 0.00 0.00 57.45 57.01 1y79 n PHE 54 Cb 0.62 -0.11 0.69 0.00 0.35 0.00 0.00 39.48 41.03 1y79 n PHE 54 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1y79 n ASN 55 N -1.31 0.15 0.16 -2.13 5.03 -1.26 -0.55 115.26 115.34 1y79 n ASN 55 Ca 0.00 1.22 0.11 0.00 0.87 0.00 0.00 54.58 56.78 1y79 n ASN 55 Cb 0.00 -0.60 0.08 0.00 -1.02 0.00 0.00 39.78 38.24 1y79 n ASN 55 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1y79 h ASN 56 N 0.00 0.00 0.00 6.41 7.08 -1.81 -3.17 115.58 124.09 1y79 h ASN 56 Ca 0.86 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 54.08 1y79 h ASN 56 Cb 2.97 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 39.21 1y79 h ASN 56 CO -0.33 0.03 0.00 0.35 -2.08 0.00 0.00 177.43 175.41 1y79 n THR 57 N -2.90 0.49 0.38 6.14 -2.24 0.28 -4.53 114.28 111.91 1y79 n THR 57 Ca 0.02 0.16 -0.18 0.00 -2.27 0.00 0.00 64.05 61.78 1y79 n THR 57 Cb 0.56 -0.94 -0.09 0.00 -2.10 0.00 0.00 70.33 67.75 1y79 n THR 57 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1y79 h ILE 58 N 0.00 0.00 -0.28 2.28 1.08 -1.33 0.50 117.51 119.76 1y79 h ILE 58 Ca 0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.45 1y79 h ILE 58 Cb 0.00 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 33.73 1y79 h ILE 58 CO 0.00 0.00 0.08 0.25 -0.69 0.00 0.00 178.15 177.79 1y79 h LEU 59 N -1.09 0.37 -0.07 1.44 5.85 -1.62 -1.99 115.31 118.18 1y79 h LEU 59 Ca -0.09 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 1y79 h LEU 59 Cb 0.89 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.82 1y79 h LEU 59 CO 0.08 0.37 0.03 0.00 -0.34 0.00 0.00 178.44 178.57 1y79 h ALA 60 N 1.69 0.10 -0.52 1.25 0.00 -1.37 -2.33 119.26 118.08 1y79 h ALA 60 Ca 0.10 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1y79 h ALA 60 Cb 0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1y79 h ALA 60 CO -0.00 -0.32 0.09 -0.07 0.00 0.00 0.00 179.25 178.95 1y79 h LEU 61 N -0.04 0.76 -1.42 0.00 3.38 0.27 -2.26 115.31 115.99 1y79 h LEU 61 Ca 0.02 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1y79 h LEU 61 Cb 0.17 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1y79 h LEU 61 CO -0.00 0.77 -0.29 -0.08 0.09 0.00 0.00 178.44 178.93 1y79 h GLU 62 N 0.77 0.00 -0.01 1.13 4.57 -1.19 -2.30 114.58 117.55 1y79 h GLU 62 Ca 0.16 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1y79 h GLU 62 Cb 0.34 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1y79 h GLU 62 CO 0.00 0.29 -0.57 1.04 -1.18 0.00 0.00 179.01 178.59 1y79 n GLN 63 N -3.97 0.57 -1.90 1.92 6.02 -0.89 -4.95 117.38 114.18 1y79 n GLN 63 Ca -0.02 -0.42 -0.40 0.00 -0.01 0.00 0.00 57.00 56.15 1y79 n GLN 63 Cb 0.36 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 30.13 1y79 n GLN 63 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1y79 s SER 64 N -2.72 6.23 -0.68 1.08 0.15 -0.87 -4.00 113.70 112.89 1y79 s SER 64 Ca 0.16 2.88 -0.03 0.00 0.70 0.00 0.00 55.95 59.65 1y79 s SER 64 Cb 0.18 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1y79 s SER 64 CO 0.67 -0.93 0.59 0.61 1.20 0.00 0.00 173.24 175.38 1y79 n GLY 65 N 0.59 0.14 0.22 9.45 0.00 -1.26 -4.97 105.19 109.35 1y79 n GLY 65 Ca 0.03 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 1y79 n GLY 65 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1y79 h GLU 66 N -1.29 0.60 -0.03 1.61 4.81 -1.97 -2.17 114.58 116.14 1y79 h GLU 66 Ca -0.30 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 58.87 1y79 h GLU 66 Cb 1.19 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1y79 h GLU 66 CO 0.28 0.40 -0.09 1.37 -0.73 0.00 0.00 179.01 180.24 1y79 h LEU 67 N 0.62 0.13 -1.26 1.64 8.10 -1.93 -2.78 115.31 119.84 1y79 h LEU 67 Ca 0.22 -0.63 0.13 0.00 0.11 0.00 0.00 57.88 57.72 1y79 h LEU 67 Cb 0.05 -0.04 -0.07 0.00 -0.44 0.00 0.00 40.66 40.16 1y79 h LEU 67 CO -0.11 0.74 0.58 0.25 -4.11 0.00 0.00 178.44 175.78 1y79 h LEU 68 N -0.46 0.69 -0.73 0.17 5.85 -1.79 -0.68 115.31 118.37 1y79 h LEU 68 Ca -0.00 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.63 1y79 h LEU 68 Cb 0.72 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1y79 h LEU 68 CO 0.02 0.36 -0.37 0.74 -0.34 0.00 0.00 178.44 178.85 1y79 h THR 69 N 0.74 1.29 -0.04 1.05 2.02 -1.40 -1.35 112.91 115.22 1y79 h THR 69 Ca 0.44 -1.51 -0.12 0.00 0.77 0.00 0.00 66.41 65.99 1y79 h THR 69 Cb 0.65 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 1y79 h THR 69 CO -0.20 0.48 -0.53 -0.09 0.37 0.00 0.00 175.52 175.54 1y79 h ARG 70 N 0.45 0.13 0.03 6.66 2.43 -0.86 -2.36 114.38 120.85 1y79 h ARG 70 Ca 0.04 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 1y79 h ARG 70 Cb 0.86 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.42 1y79 h ARG 70 CO 0.07 0.63 -0.49 0.28 -1.51 0.00 0.00 179.97 178.95 1y79 h VAL 71 N 0.10 1.52 -0.14 0.20 2.07 -1.12 -3.29 116.25 115.59 1y79 h VAL 71 Ca -0.00 -2.17 -0.09 0.00 0.82 0.00 0.00 66.70 65.26 1y79 h VAL 71 Cb 0.98 2.87 -0.01 0.00 -1.52 0.00 0.00 31.29 33.60 1y79 h VAL 71 CO 0.08 0.61 -0.30 0.71 0.02 0.00 0.00 177.57 178.68 1y79 h THR 72 N -0.37 1.27 -0.06 2.57 1.35 -1.29 -0.78 112.91 115.60 1y79 h THR 72 Ca -0.07 -1.27 -0.08 0.00 -0.55 0.00 0.00 66.41 64.44 1y79 h THR 72 Cb 1.27 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 69.17 1y79 h THR 72 CO 0.09 0.39 -0.32 0.28 -0.25 0.00 0.00 175.52 175.71 1y79 h SER 73 N 0.25 0.11 0.02 5.36 0.02 -1.53 -1.82 113.55 115.94 1y79 h SER 73 Ca 0.03 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1y79 h SER 73 Cb 0.67 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 1y79 h SER 73 CO 0.05 0.43 -0.47 0.58 -1.14 0.00 0.00 176.83 176.28 1y79 h VAL 74 N 0.10 1.50 0.05 2.27 2.07 -1.58 -3.28 116.25 117.38 1y79 h VAL 74 Ca 0.01 -2.32 0.03 0.00 0.82 0.00 0.00 66.70 65.24 1y79 h VAL 74 Cb 0.62 3.04 -0.05 0.00 -1.52 0.00 0.00 31.29 33.38 1y79 h VAL 74 CO 0.05 0.55 -0.39 0.15 0.02 0.00 0.00 177.57 177.94 1y79 h PHE 75 N -0.91 -1.10 0.00 1.57 3.57 -1.06 -0.17 116.94 118.83 1y79 h PHE 75 Ca -0.12 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.36 1y79 h PHE 75 Cb 1.17 0.48 -0.01 0.00 2.79 0.00 0.00 35.95 40.38 1y79 h PHE 75 CO 0.22 -0.48 -0.24 0.74 -2.23 0.00 0.00 178.31 176.32 1y79 h PHE 76 N -0.58 0.00 -0.41 0.41 -1.00 -1.53 0.10 116.94 113.92 1y79 h PHE 76 Ca 0.04 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.69 1y79 h PHE 76 Cb 0.64 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.19 1y79 h PHE 76 CO -0.38 0.24 -0.27 0.00 -1.61 0.00 0.00 178.31 176.29 1y79 h ALA 77 N 1.76 0.74 -0.17 2.45 0.00 -1.47 -2.74 119.26 119.82 1y79 h ALA 77 Ca -0.00 -0.40 -0.21 0.00 0.00 0.00 0.00 54.91 54.29 1y79 h ALA 77 Cb 0.57 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.22 1y79 h ALA 77 CO 0.03 0.66 -0.72 0.52 0.00 0.00 0.00 179.25 179.74 1y79 h MET 78 N 0.75 0.80 0.00 0.00 2.86 0.01 -1.25 114.93 118.09 1y79 h MET 78 Ca 0.09 -0.62 -0.01 0.00 -2.06 0.00 0.00 59.70 57.10 1y79 h MET 78 Cb 0.82 0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.60 1y79 h MET 78 CO 0.07 1.23 -0.05 1.79 1.06 0.00 0.00 176.91 181.01 1y79 h THR 79 N 0.54 0.16 0.11 2.22 1.35 -1.03 0.30 112.91 116.55 1y79 h THR 79 Ca -0.04 -0.54 -0.32 0.00 -0.55 0.00 0.00 66.41 64.96 1y79 h THR 79 Cb 1.35 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 69.21 1y79 h THR 79 CO 0.15 0.05 -1.70 0.00 -0.25 0.00 0.00 175.52 173.78 1y79 h ALA 80 N 1.95 0.38 0.00 6.62 0.00 -1.35 -3.40 119.26 123.46 1y79 h ALA 80 Ca -0.00 -1.24 -0.17 0.00 0.00 0.00 0.00 54.91 53.50 1y79 h ALA 80 Cb 0.45 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1y79 h ALA 80 CO 0.01 1.25 -1.94 0.00 0.00 0.00 0.00 179.25 178.57 1y79 n ALA 81 N -2.75 2.03 -2.84 0.00 0.00 -0.48 -0.66 120.51 115.81 1y79 n ALA 81 Ca -0.21 -0.76 -0.11 0.00 0.00 0.00 0.00 53.44 52.35 1y79 n ALA 81 Cb 1.05 -0.28 0.04 0.00 0.00 0.00 0.00 19.45 20.25 1y79 n ALA 81 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1y79 n HIS 82 N -2.37 -2.55 -2.36 0.00 -0.00 0.98 -3.89 115.22 105.04 1y79 n HIS 82 Ca -0.16 -2.26 -0.25 0.00 -0.00 0.00 0.00 57.72 55.05 1y79 n HIS 82 Cb 0.77 1.16 0.09 0.00 -0.00 0.00 0.00 29.99 32.01 1y79 n HIS 82 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 1y79 s THR 83 N 0.09 2.25 0.24 3.57 -1.32 -0.62 -4.67 115.64 115.19 1y79 s THR 83 Ca 0.31 -0.40 -0.15 0.00 -1.21 0.00 0.00 61.69 60.24 1y79 s THR 83 Cb 0.24 -2.85 0.01 0.00 -1.51 0.00 0.00 72.50 68.39 1y79 s THR 83 CO -0.17 0.00 0.52 0.54 -2.21 0.00 0.00 174.62 173.30 1y79 s ASN 84 N -4.63 -0.15 0.33 8.08 6.03 -1.26 -4.76 114.94 118.58 1y79 s ASN 84 Ca 0.64 -0.79 0.09 0.00 -1.03 0.00 0.00 52.86 51.77 1y79 s ASN 84 Cb -0.08 0.60 0.83 0.00 -3.03 0.00 0.00 41.25 39.58 1y79 s ASN 84 CO 0.45 -1.15 1.78 0.44 -2.03 0.00 0.00 177.10 176.59 1y79 h ASP 85 N 2.21 0.70 0.17 3.54 5.19 -1.99 -1.07 116.42 125.17 1y79 h ASP 85 Ca -0.25 0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.24 1y79 h ASP 85 Cb 1.25 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.73 1y79 h ASP 85 CO 0.34 0.23 -0.08 -0.08 -3.12 0.00 0.00 179.24 176.53 1y79 h GLU 86 N 0.67 -0.21 -0.97 3.56 4.57 -2.00 -2.41 114.58 117.79 1y79 h GLU 86 Ca 0.58 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.87 1y79 h GLU 86 Cb 1.03 0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 29.59 1y79 h GLU 86 CO -0.36 0.16 0.62 -0.07 -1.18 0.00 0.00 179.01 178.18 1y79 h LEU 87 N -0.64 0.91 -0.15 1.64 3.38 -1.85 -1.63 115.31 116.97 1y79 h LEU 87 Ca -0.02 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1y79 h LEU 87 Cb 0.47 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1y79 h LEU 87 CO 0.04 0.52 0.07 1.56 0.09 0.00 0.00 178.44 180.72 1y79 h GLN 88 N 1.00 0.15 -0.61 1.13 4.20 -1.14 0.22 115.11 120.05 1y79 h GLN 88 Ca 0.46 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 59.18 1y79 h GLN 88 Cb 0.40 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 1y79 h GLN 88 CO -0.21 0.10 0.38 0.00 -0.67 0.00 0.00 178.83 178.42 1y79 h ARG 89 N 0.15 0.72 -0.57 1.46 3.08 -0.88 -1.85 114.38 116.50 1y79 h ARG 89 Ca 0.06 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1y79 h ARG 89 Cb 0.02 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 1y79 h ARG 89 CO -0.05 0.48 0.22 -0.07 -1.07 0.00 0.00 179.97 179.47 1y79 h LEU 90 N 0.74 0.76 -0.63 3.04 3.38 -0.90 -2.80 115.31 118.90 1y79 h LEU 90 Ca 0.24 -0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.23 1y79 h LEU 90 Cb 0.01 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.48 1y79 h LEU 90 CO -0.10 0.69 0.17 -0.78 0.09 0.00 0.00 178.44 178.51 1y79 h ASP 91 N 0.82 0.07 -0.30 -0.43 3.58 0.29 0.41 116.42 120.85 1y79 h ASP 91 Ca 0.19 0.11 -0.06 0.00 0.42 0.00 0.00 57.03 57.69 1y79 h ASP 91 Cb 0.18 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 1y79 h ASP 91 CO -0.02 0.03 -0.06 -0.08 -2.88 0.00 0.00 179.24 176.23 1y79 h GLU 92 N 0.30 0.58 0.74 0.28 4.81 -1.33 -1.57 114.58 118.39 1y79 h GLU 92 Ca 0.34 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1y79 h GLU 92 Cb 0.50 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.85 1y79 h GLU 92 CO -0.40 0.76 -0.36 1.96 -0.73 0.00 0.00 179.01 180.24 1y79 h GLN 93 N 0.35 -0.96 -0.97 1.92 4.20 -0.99 -2.05 115.11 116.61 1y79 h GLN 93 Ca 0.08 0.07 0.11 0.00 0.06 0.00 0.00 58.65 58.96 1y79 h GLN 93 Cb 0.54 0.22 -0.08 0.00 0.30 0.00 0.00 27.48 28.46 1y79 h GLN 93 CO 0.03 -0.64 0.62 0.74 -0.67 0.00 0.00 178.83 178.91 1y79 h PHE 94 N -1.00 1.09 -0.70 2.96 0.05 -0.29 -0.15 116.94 118.89 1y79 h PHE 94 Ca -0.10 0.03 -0.07 0.00 3.82 0.00 0.00 57.97 61.65 1y79 h PHE 94 Cb 0.76 -0.35 -0.03 0.00 2.00 0.00 0.00 35.95 38.34 1y79 h PHE 94 CO -0.02 0.46 0.17 0.77 -0.18 0.00 0.00 178.31 179.51 1y79 h SER 95 N 0.97 1.07 -0.17 2.17 0.02 -1.10 0.55 113.55 117.06 1y79 h SER 95 Ca 0.47 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 61.13 1y79 h SER 95 Cb 0.45 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 1y79 h SER 95 CO -0.23 1.02 -0.10 0.00 -1.14 0.00 0.00 176.83 176.39 1y79 h ALA 96 N 1.08 0.24 0.00 3.77 0.00 -0.71 -2.47 119.26 121.17 1y79 h ALA 96 Ca 0.22 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1y79 h ALA 96 Cb 0.37 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1y79 h ALA 96 CO 0.00 0.07 -0.43 0.93 0.00 0.00 0.00 179.25 179.82 1y79 h GLU 97 N 0.03 0.00 0.00 0.00 5.08 -0.83 -2.43 114.58 116.43 1y79 h GLU 97 Ca 0.04 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 1y79 h GLU 97 Cb 0.59 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1y79 h GLU 97 CO 0.03 0.43 -0.67 -0.07 -1.00 0.00 0.00 179.01 177.74 1y79 h LEU 98 N 0.00 0.00 -0.23 1.33 3.38 0.16 -2.46 115.31 117.48 1y79 h LEU 98 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1y79 h LEU 98 Cb 0.88 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 1y79 h LEU 98 CO 0.06 0.67 -0.28 0.00 0.09 0.00 0.00 178.44 178.98 1y79 h ALA 99 N 1.33 0.35 -0.96 1.53 0.00 -1.14 -1.66 119.26 118.71 1y79 h ALA 99 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1y79 h ALA 99 Cb 1.22 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1y79 h ALA 99 CO 0.09 0.35 0.62 0.93 0.00 0.00 0.00 179.25 181.23 1y79 h GLU 100 N 0.30 1.28 -0.63 0.00 5.08 -1.39 0.11 114.58 119.33 1y79 h GLU 100 Ca 0.03 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1y79 h GLU 100 Cb 0.85 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1y79 h GLU 100 CO 0.07 0.86 0.24 1.25 -1.00 0.00 0.00 179.01 180.43 1y79 h LEU 101 N 1.31 0.85 -1.04 1.33 5.85 -1.24 -0.47 115.31 121.90 1y79 h LEU 101 Ca 0.35 -0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.85 1y79 h LEU 101 Cb -0.12 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.68 1y79 h LEU 101 CO -0.07 0.77 -0.44 0.00 -0.34 0.00 0.00 178.44 178.35 1y79 h ALA 102 N 1.35 1.20 -0.10 1.25 0.00 -0.27 -2.62 119.26 120.07 1y79 h ALA 102 Ca 0.21 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1y79 h ALA 102 Cb 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1y79 h ALA 102 CO -0.02 0.58 -0.41 -0.91 0.00 0.00 0.00 179.25 178.50 1y79 h ASN 103 N 0.06 0.22 -0.50 0.00 -0.26 0.69 -2.19 115.58 113.61 1y79 h ASN 103 Ca 0.00 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.65 1y79 h ASN 103 Cb 0.81 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 38.01 1y79 h ASN 103 CO 0.06 0.61 0.00 0.47 -1.06 0.00 0.00 177.43 177.51 1y79 n ASP 104 N -4.03 2.79 -0.03 5.81 10.43 -0.40 -3.02 116.55 128.10 1y79 n ASP 104 Ca -0.01 -1.98 -0.07 0.00 2.57 0.00 0.00 54.79 55.30 1y79 n ASP 104 Cb 0.47 -0.33 -0.03 0.00 1.84 0.00 0.00 41.12 43.08 1y79 n ASP 104 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 1y79 n ILE 105 N 1.03 0.38 0.03 0.53 5.41 -1.05 -4.55 119.36 121.15 1y79 n ILE 105 Ca 0.18 -0.11 -0.07 0.00 1.00 0.00 0.00 62.75 63.75 1y79 n ILE 105 Cb 0.45 -1.45 -0.12 0.00 -0.71 0.00 0.00 39.64 37.81 1y79 n ILE 105 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 1y79 h TYR 106 N -0.21 0.00 -0.43 1.39 0.05 -1.59 -3.26 116.97 112.92 1y79 h TYR 106 Ca -0.17 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.61 1y79 h TYR 106 Cb 1.17 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.91 1y79 h TYR 106 CO -0.02 0.98 0.00 1.28 -1.05 0.00 0.00 178.16 179.36 1y79 n LEU 107 N -3.24 2.99 -4.41 3.88 4.32 -1.17 -3.75 117.00 115.63 1y79 n LEU 107 Ca -0.06 -1.51 -0.44 0.00 -0.02 0.00 0.00 56.01 53.98 1y79 n LEU 107 Cb 0.97 -0.42 -0.04 0.00 -1.62 0.00 0.00 43.42 42.32 1y79 n LEU 107 CO 0.46 0.58 0.66 0.21 -1.22 0.00 0.00 177.39 178.08 1y79 s ASN 108 N -0.82 6.36 0.15 -1.43 3.84 -1.23 -4.96 114.94 116.85 1y79 s ASN 108 Ca 0.32 -1.62 -0.32 0.00 0.21 0.00 0.00 52.86 51.46 1y79 s ASN 108 Cb 0.20 -2.35 -0.08 0.00 -0.55 0.00 0.00 41.25 38.46 1y79 s ASN 108 CO 0.17 -1.13 1.54 1.23 -2.79 0.00 0.00 177.10 176.12 1y79 h GLY 109 N 10.25 -0.90 1.93 1.21 0.00 -1.86 -0.15 103.07 113.55 1y79 h GLY 109 Ca -0.12 0.76 0.01 0.00 0.00 0.00 0.00 47.33 47.97 1y79 h GLY 109 CO 1.09 -0.03 0.03 1.05 0.00 0.00 0.00 176.54 178.67 1y79 h GLU 110 N -0.19 0.00 -0.11 4.80 4.11 -1.95 0.86 114.58 122.10 1y79 h GLU 110 Ca 0.12 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 59.37 1y79 h GLU 110 Cb 0.50 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.76 1y79 h GLU 110 CO -0.78 0.00 -0.65 1.25 0.07 0.00 0.00 179.01 178.90 1y79 h LEU 111 N 0.00 0.76 0.21 3.06 5.85 -1.37 -3.01 115.31 120.82 1y79 h LEU 111 Ca 0.01 -0.65 -0.01 0.00 0.84 0.00 0.00 57.88 58.07 1y79 h LEU 111 Cb 0.06 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.87 1y79 h LEU 111 CO -0.00 1.29 -0.10 0.15 -0.34 0.00 0.00 178.44 179.44 1y79 h PHE 112 N 0.29 -0.26 -0.96 1.25 3.57 -0.27 -1.84 116.94 118.71 1y79 h PHE 112 Ca -0.05 -0.01 0.29 0.00 3.53 0.00 0.00 57.97 61.74 1y79 h PHE 112 Cb 1.30 0.09 -0.17 0.00 2.79 0.00 0.00 35.95 39.96 1y79 h PHE 112 CO 0.11 -0.02 0.20 0.00 -2.23 0.00 0.00 178.31 176.37 1y79 h ALA 113 N 0.25 1.43 -0.30 2.41 0.00 -0.92 2.30 119.26 124.43 1y79 h ALA 113 Ca -0.03 0.29 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 1y79 h ALA 113 Cb 0.37 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1y79 h ALA 113 CO 0.05 -0.63 -0.39 0.00 0.00 0.00 0.00 179.25 178.28 1y79 h ARG 114 N 0.07 0.71 -0.21 0.00 3.08 -1.36 0.21 114.38 116.87 1y79 h ARG 114 Ca 0.64 -0.36 -0.14 0.00 0.07 0.00 0.00 59.98 60.19 1y79 h ARG 114 Cb 1.43 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.49 1y79 h ARG 114 CO -0.81 0.98 -0.40 0.28 -1.07 0.00 0.00 179.97 178.95 1y79 h VAL 115 N 0.58 1.32 0.00 2.04 2.07 0.33 -2.95 116.25 119.65 1y79 h VAL 115 Ca 0.05 -1.62 -0.06 0.00 0.82 0.00 0.00 66.70 65.89 1y79 h VAL 115 Cb 0.93 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 1y79 h VAL 115 CO 0.08 0.51 -0.28 -0.78 0.02 0.00 0.00 177.57 177.12 1y79 h ASP 116 N 0.34 0.00 0.00 0.57 3.58 0.31 -1.92 116.42 119.31 1y79 h ASP 116 Ca 0.01 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 1y79 h ASP 116 Cb 1.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.05 1y79 h ASP 116 CO 0.09 0.28 -0.00 0.00 -2.88 0.00 0.00 179.24 176.73 1y79 h ALA 117 N 1.72 -0.00 -0.73 -0.78 0.00 -0.83 0.16 119.26 118.80 1y79 h ALA 117 Ca -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1y79 h ALA 117 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1y79 h ALA 117 CO 0.04 -0.35 0.33 0.28 0.00 0.00 0.00 179.25 179.55 1y79 h VAL 118 N -0.31 1.24 -0.45 0.00 2.07 -1.44 -2.60 116.25 114.76 1y79 h VAL 118 Ca -0.00 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 66.82 1y79 h VAL 118 Cb 0.31 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1y79 h VAL 118 CO 0.00 0.29 0.29 -0.25 0.02 0.00 0.00 177.57 177.93 1y79 h TRP 119 N 1.05 0.56 -0.57 1.57 7.01 -1.06 0.25 115.95 124.76 1y79 h TRP 119 Ca 0.25 0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.34 1y79 h TRP 119 Cb 0.15 -0.19 -0.06 0.00 -2.10 0.00 0.00 29.16 26.96 1y79 h TRP 119 CO 0.01 0.35 0.23 1.96 -2.79 0.00 0.00 178.44 178.20 1y79 h GLN 120 N 0.60 0.41 -0.71 2.65 7.50 -0.58 -1.95 115.11 123.03 1y79 h GLN 120 Ca 0.17 -0.02 -0.26 0.00 0.50 0.00 0.00 58.65 59.03 1y79 h GLN 120 Cb -0.06 -0.09 -0.16 0.00 0.05 0.00 0.00 27.48 27.22 1y79 h GLN 120 CO -0.04 0.27 0.30 2.89 -1.50 0.00 0.00 178.83 180.75 1y79 n ARG 121 N -4.97 3.09 0.22 1.46 1.85 -1.02 -4.60 116.66 112.69 1y79 n ARG 121 Ca 0.07 -3.07 0.14 0.00 -1.00 0.00 0.00 57.85 53.99 1y79 n ARG 121 Cb 0.23 -2.13 0.77 0.00 -1.05 0.00 0.00 32.46 30.27 1y79 n ARG 121 CO 0.00 0.00 0.00 0.07 -0.01 0.00 0.00 177.63 177.69 1y79 h ARG 122 N 2.01 0.00 0.00 2.89 0.11 0.31 0.23 114.38 119.93 1y79 h ARG 122 Ca 0.33 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.41 1y79 h ARG 122 Cb 2.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.39 1y79 h ARG 122 CO 0.74 0.00 -1.49 0.39 0.10 0.00 0.00 179.97 179.71 1y79 n GLU 123 N -2.50 0.60 0.01 0.08 -0.58 -1.26 -4.41 120.64 112.59 1y79 n GLU 123 Ca -0.02 -0.05 -0.21 0.00 -0.42 0.00 0.00 57.16 56.47 1y79 n GLU 123 Cb 0.07 -1.66 -0.14 0.00 -0.57 0.00 0.00 31.44 29.14 1y79 n GLU 123 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 1y79 h SER 124 N 0.00 0.38 0.00 1.62 0.02 -0.93 -3.38 113.55 111.26 1y79 h SER 124 Ca 0.00 -0.88 0.00 0.00 -0.84 0.00 0.00 61.79 60.07 1y79 h SER 124 Cb 0.98 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.39 1y79 h SER 124 CO 0.00 1.51 0.39 0.18 -1.14 0.00 0.00 176.83 177.77 1y79 n LEU 125 N -4.04 0.07 -3.01 5.07 4.77 -0.63 -4.74 117.00 114.48 1y79 n LEU 125 Ca -0.21 0.26 -0.15 0.00 -0.03 0.00 0.00 56.01 55.88 1y79 n LEU 125 Cb 0.85 -0.21 0.07 0.00 -2.33 0.00 0.00 43.42 41.80 1y79 n LEU 125 CO 0.42 -0.28 0.11 0.61 -1.33 0.00 0.00 177.39 176.92 1y79 n GLY 126 N -1.20 -0.23 3.89 -0.72 0.00 -1.26 -4.99 105.19 100.67 1y79 n GLY 126 Ca -0.00 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1y79 n GLY 126 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y79 s LEU 127 N -5.70 4.34 1.01 0.99 1.43 -1.26 -5.10 118.68 114.40 1y79 s LEU 127 Ca 0.08 0.55 -0.15 0.00 -1.03 0.00 0.00 54.13 53.57 1y79 s LEU 127 Cb -0.04 -2.88 0.20 0.00 0.03 0.00 0.00 46.19 43.50 1y79 s LEU 127 CO 0.60 0.19 1.17 1.51 0.23 0.00 0.00 176.35 180.05 1y79 s ASP 128 N -1.98 2.59 0.04 2.29 -4.77 -1.26 -4.72 116.67 108.86 1y79 s ASP 128 Ca 0.32 0.70 -0.10 0.00 -3.30 0.00 0.00 52.55 50.18 1y79 s ASP 128 Cb -0.13 -1.05 -0.03 0.00 -1.09 0.00 0.00 42.92 40.62 1y79 s ASP 128 CO 0.20 -3.09 1.16 -1.28 0.70 0.00 0.00 175.17 172.85 1y79 h SER 129 N -1.88 -0.55 -0.17 2.11 0.87 -1.99 -0.39 113.55 111.56 1y79 h SER 129 Ca -0.48 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 1y79 h SER 129 Cb 1.30 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 63.47 1y79 h SER 129 CO 0.48 -0.12 0.11 -0.08 -0.53 0.00 0.00 176.83 176.69 1y79 h GLU 130 N -0.11 0.23 -0.53 2.24 4.81 -1.94 0.72 114.58 119.99 1y79 h GLU 130 Ca 0.02 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 1y79 h GLU 130 Cb 0.17 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1y79 h GLU 130 CO -0.18 0.16 0.03 0.77 -0.73 0.00 0.00 179.01 179.06 1y79 h SER 131 N 0.24 0.85 -0.16 1.04 0.02 -1.77 0.58 113.55 114.35 1y79 h SER 131 Ca 0.06 -0.20 -0.13 0.00 -0.84 0.00 0.00 61.79 60.68 1y79 h SER 131 Cb -0.02 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.30 1y79 h SER 131 CO -0.01 0.89 -0.40 0.40 -1.14 0.00 0.00 176.83 176.57 1y79 h ILE 132 N 0.82 1.34 -0.33 3.27 2.04 0.20 -2.12 117.51 122.74 1y79 h ILE 132 Ca 0.16 -1.66 0.06 0.00 1.00 0.00 0.00 64.86 64.42 1y79 h ILE 132 Cb 0.45 1.97 -0.06 0.00 -0.74 0.00 0.00 36.82 38.45 1y79 h ILE 132 CO 0.02 0.51 -0.02 -0.09 0.00 0.00 0.00 178.15 178.56 1y79 h ARG 133 N 0.20 0.06 -0.87 2.37 9.65 -0.37 0.27 114.38 125.69 1y79 h ARG 133 Ca -0.00 -0.00 0.10 0.00 -1.10 0.00 0.00 59.98 58.97 1y79 h ARG 133 Cb 1.01 -0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 29.50 1y79 h ARG 133 CO 0.09 0.04 0.51 1.25 2.80 0.00 0.00 179.97 184.66 1y79 h LEU 134 N 0.07 0.74 -0.36 3.80 5.85 0.26 -1.30 115.31 124.36 1y79 h LEU 134 Ca 0.16 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.96 1y79 h LEU 134 Cb 0.23 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1y79 h LEU 134 CO -0.29 0.41 0.15 0.58 -0.34 0.00 0.00 178.44 178.96 1y79 h VAL 135 N 0.84 0.94 -0.40 1.05 2.07 -0.29 -2.19 116.25 118.27 1y79 h VAL 135 Ca 0.42 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.77 1y79 h VAL 135 Cb 0.40 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1y79 h VAL 135 CO -0.25 0.06 0.01 -0.33 0.02 0.00 0.00 177.57 177.08 1y79 h GLU 136 N 0.33 0.69 0.07 1.57 5.08 -0.20 -2.12 114.58 120.00 1y79 h GLU 136 Ca 0.16 -0.21 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1y79 h GLU 136 Cb 0.10 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1y79 h GLU 136 CO -0.14 0.78 -0.14 0.28 -1.00 0.00 0.00 179.01 178.79 1y79 h VAL 137 N 0.53 0.68 -0.17 3.13 2.07 -1.10 0.69 116.25 122.08 1y79 h VAL 137 Ca 0.11 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 1y79 h VAL 137 Cb 0.45 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1y79 h VAL 137 CO 0.02 0.00 0.08 0.40 0.02 0.00 0.00 177.57 178.08 1y79 h ILE 138 N -0.26 1.14 -0.45 4.57 2.04 -1.43 -0.36 117.51 122.76 1y79 h ILE 138 Ca 0.03 -0.43 0.04 0.00 1.00 0.00 0.00 64.86 65.50 1y79 h ILE 138 Cb 0.29 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 1y79 h ILE 138 CO -0.09 0.14 0.21 -0.74 0.00 0.00 0.00 178.15 177.67 1y79 h HIS 139 N 0.14 0.39 -0.90 1.37 2.76 -1.25 -1.04 115.15 116.62 1y79 h HIS 139 Ca 0.06 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.26 1y79 h HIS 139 Cb 0.15 -0.11 -0.05 0.00 1.55 0.00 0.00 27.41 28.95 1y79 h HIS 139 CO -0.02 0.19 0.59 0.37 -1.30 0.00 0.00 177.93 177.76 1y79 h GLN 140 N 0.43 1.17 -0.15 5.26 4.15 -0.60 -0.00 115.11 125.37 1y79 h GLN 140 Ca 0.20 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.55 1y79 h GLN 140 Cb 0.13 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 1y79 h GLN 140 CO -0.15 0.77 0.08 0.00 -1.93 0.00 0.00 178.83 177.60 1y79 h ARG 141 N 1.21 0.21 -0.18 1.69 3.08 -0.05 0.66 114.38 121.00 1y79 h ARG 141 Ca 0.33 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.40 1y79 h ARG 141 Cb -0.12 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 29.85 1y79 h ARG 141 CO -0.08 0.22 -0.06 0.74 -1.07 0.00 0.00 179.97 179.72 1y79 h PHE 142 N 0.15 -0.13 0.02 3.04 -1.00 -0.64 0.58 116.94 118.96 1y79 h PHE 142 Ca 0.05 0.02 0.03 0.00 2.81 0.00 0.00 57.97 60.88 1y79 h PHE 142 Cb 0.07 0.09 -0.04 0.00 3.61 0.00 0.00 35.95 39.68 1y79 h PHE 142 CO -0.04 -0.10 -0.20 0.28 -1.61 0.00 0.00 178.31 176.64 1y79 h VAL 143 N -0.02 0.53 0.00 -0.55 2.07 -0.71 0.29 116.25 117.86 1y79 h VAL 143 Ca 0.09 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.53 1y79 h VAL 143 Cb 0.16 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1y79 h VAL 143 CO -0.20 0.00 -0.39 -0.07 0.02 0.00 0.00 177.57 176.93 1y79 h LEU 144 N -0.34 0.00 -0.40 2.57 3.38 -0.62 -1.42 115.31 118.48 1y79 h LEU 144 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1y79 h LEU 144 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1y79 h LEU 144 CO -0.17 0.39 0.00 0.00 0.09 0.00 0.00 178.44 178.74 1y79 n ALA 145 N -2.47 1.85 0.00 1.53 0.00 0.20 -4.89 120.51 116.74 1y79 n ALA 145 Ca -0.02 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1y79 n ALA 145 Cb 0.42 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1y79 n ALA 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y79 n GLY 146 N 0.40 1.41 0.37 0.00 0.00 -0.15 -4.88 105.19 102.34 1y79 n GLY 146 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1y79 n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y79 h ALA 147 N 0.00 1.60 0.00 4.61 0.00 -0.59 0.18 119.26 125.06 1y79 h ALA 147 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1y79 h ALA 147 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1y79 h ALA 147 CO 0.00 0.18 0.00 1.63 0.00 0.00 0.00 179.25 181.06 1y79 n LYS 148 N -4.57 0.96 -2.32 0.00 5.02 -1.26 -4.79 118.16 111.20 1y79 n LYS 148 Ca 0.17 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.14 1y79 n LYS 148 Cb 0.35 -1.14 -0.02 0.00 -0.02 0.00 0.00 35.03 34.20 1y79 n LYS 148 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1y79 s LEU 149 N -1.28 3.64 0.43 -0.35 2.96 0.05 -5.03 118.68 119.10 1y79 s LEU 149 Ca 0.13 1.75 -0.23 0.00 -0.22 0.00 0.00 54.13 55.56 1y79 s LEU 149 Cb 0.06 -4.53 -0.08 0.00 0.50 0.00 0.00 46.19 42.14 1y79 s LEU 149 CO 0.10 -0.84 1.09 0.00 -1.32 0.00 0.00 176.35 175.37 1y79 s ALA 150 N -2.39 3.02 0.10 5.97 0.00 -1.26 -4.68 121.76 122.52 1y79 s ALA 150 Ca 0.63 0.77 -0.19 0.00 0.00 0.00 0.00 51.96 53.16 1y79 s ALA 150 Cb -0.14 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 1y79 s ALA 150 CO 0.30 -0.38 1.04 0.94 0.00 0.00 0.00 175.76 177.66 1y79 n GLN 151 N -0.34 -0.27 0.07 0.00 -0.06 -1.26 0.84 117.38 116.36 1y79 n GLN 151 Ca 0.06 1.03 0.08 0.00 -2.00 0.00 0.00 57.00 56.17 1y79 n GLN 151 Cb 0.49 -1.51 0.52 0.00 -4.06 0.00 0.00 30.24 25.69 1y79 n GLN 151 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1y79 h ALA 152 N 0.20 1.90 0.22 1.69 0.00 -2.00 -1.54 119.26 119.73 1y79 h ALA 152 Ca 0.10 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.66 1y79 h ALA 152 Cb 0.25 -0.09 0.04 0.00 0.00 0.00 0.00 17.79 17.99 1y79 h ALA 152 CO -0.57 0.06 -1.42 -0.44 0.00 0.00 0.00 179.25 176.88 1y79 h ASP 153 N 0.32 0.86 -0.47 0.00 3.32 0.08 -3.10 116.42 117.43 1y79 h ASP 153 Ca 0.13 -0.89 0.03 0.00 0.02 0.00 0.00 57.03 56.32 1y79 h ASP 153 Cb 0.13 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1y79 h ASP 153 CO -0.03 1.69 0.31 0.11 -1.72 0.00 0.00 179.24 179.60 1y79 h LYS 154 N 0.18 0.50 0.54 3.56 1.57 0.49 -1.38 116.57 122.03 1y79 h LYS 154 Ca -0.24 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.48 1y79 h LYS 154 Cb 2.10 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 34.30 1y79 h LYS 154 CO 0.27 0.33 -0.26 0.00 -0.57 0.00 0.00 179.45 179.22 1y79 h ALA 155 N 1.73 -0.72 -0.24 3.86 0.00 -1.29 -2.30 119.26 120.30 1y79 h ALA 155 Ca 0.19 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1y79 h ALA 155 Cb 0.11 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1y79 h ALA 155 CO -0.05 -0.78 -0.06 0.87 0.00 0.00 0.00 179.25 179.23 1y79 h LYS 156 N -0.97 0.37 -0.09 0.00 1.57 -1.45 -2.41 116.57 113.58 1y79 h LYS 156 Ca -0.07 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.52 1y79 h LYS 156 Cb 0.63 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1y79 h LYS 156 CO 0.12 0.45 -0.42 1.25 -0.57 0.00 0.00 179.45 180.28 1y79 h LEU 157 N 0.36 0.22 -1.09 2.94 5.85 -1.25 -3.03 115.31 119.30 1y79 h LEU 157 Ca 0.08 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1y79 h LEU 157 Cb 0.34 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.26 1y79 h LEU 157 CO 0.01 0.62 0.58 0.11 -0.34 0.00 0.00 178.44 179.42 1y79 h LYS 158 N 0.17 1.19 0.00 1.25 1.57 -0.88 -2.03 116.57 117.85 1y79 h LYS 158 Ca 0.01 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 1y79 h LYS 158 Cb 0.82 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1y79 h LYS 158 CO 0.06 0.80 -0.44 0.28 -0.57 0.00 0.00 179.45 179.58 1y79 h VAL 159 N 1.22 0.85 -0.02 0.50 2.07 -1.55 -2.78 116.25 116.55 1y79 h VAL 159 Ca 0.33 -1.90 -0.21 0.00 0.82 0.00 0.00 66.70 65.73 1y79 h VAL 159 Cb -0.12 2.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1y79 h VAL 159 CO -0.07 0.43 -0.88 -0.07 0.02 0.00 0.00 177.57 177.01 1y79 h LEU 160 N 0.00 0.49 -0.35 2.57 3.38 -1.36 -2.51 115.31 117.52 1y79 h LEU 160 Ca -0.00 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 1y79 h LEU 160 Cb 1.17 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1y79 h LEU 160 CO 0.06 1.16 0.09 0.78 0.09 0.00 0.00 178.44 180.61 1y79 h ASN 161 N 0.23 0.54 -0.40 -0.43 4.21 -1.29 0.12 115.58 118.57 1y79 h ASN 161 Ca -0.06 -0.23 -0.14 0.00 1.21 0.00 0.00 56.30 57.08 1y79 h ASN 161 Cb 1.49 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 38.54 1y79 h ASN 161 CO 0.15 0.63 -0.29 0.71 -1.29 0.00 0.00 177.43 177.34 1y79 h THR 162 N 0.42 1.27 -0.38 2.81 1.35 -1.54 -2.07 112.91 114.77 1y79 h THR 162 Ca 0.11 -1.45 -0.13 0.00 -0.55 0.00 0.00 66.41 64.38 1y79 h THR 162 Cb 0.30 1.25 -0.01 0.00 -1.73 0.00 0.00 68.15 67.96 1y79 h THR 162 CO 0.00 0.49 -0.29 -0.08 -0.25 0.00 0.00 175.52 175.39 1y79 h GLU 163 N 0.78 0.82 -0.30 4.72 4.81 -1.30 -2.63 114.58 121.47 1y79 h GLU 163 Ca 0.09 -0.37 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 1y79 h GLU 163 Cb 0.86 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 1y79 h GLU 163 CO 0.08 1.00 0.13 0.00 -0.73 0.00 0.00 179.01 179.49 1y79 h ALA 164 N 0.97 0.39 -0.49 2.92 0.00 -0.61 -0.96 119.26 121.48 1y79 h ALA 164 Ca 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1y79 h ALA 164 Cb 0.84 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1y79 h ALA 164 CO 0.07 -0.02 0.22 0.00 0.00 0.00 0.00 179.25 179.52 1y79 h ALA 165 N 0.98 1.47 -0.36 0.00 0.00 -1.34 -1.46 119.26 118.55 1y79 h ALA 165 Ca 0.10 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1y79 h ALA 165 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1y79 h ALA 165 CO -0.01 0.41 -0.29 1.15 0.00 0.00 0.00 179.25 180.52 1y79 h THR 166 N 0.68 1.28 0.00 0.00 2.02 -1.20 -2.70 112.91 113.00 1y79 h THR 166 Ca 0.17 -1.45 -0.09 0.00 0.77 0.00 0.00 66.41 65.82 1y79 h THR 166 Cb 0.10 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1y79 h THR 166 CO -0.02 0.48 -0.42 -0.07 0.37 0.00 0.00 175.52 175.86 1y79 h LEU 167 N 0.63 0.00 -0.28 2.58 3.38 -0.69 -1.00 115.31 119.93 1y79 h LEU 167 Ca 0.07 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.83 1y79 h LEU 167 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1y79 h LEU 167 CO 0.07 0.42 -0.75 0.74 0.09 0.00 0.00 178.44 179.01 1y79 h THR 168 N 0.00 1.32 -0.16 0.22 2.02 -1.19 -0.03 112.91 115.09 1y79 h THR 168 Ca -0.00 -2.04 -0.16 0.00 0.77 0.00 0.00 66.41 64.97 1y79 h THR 168 Cb 0.76 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 1y79 h THR 168 CO 0.05 0.63 -0.57 -1.28 0.37 0.00 0.00 175.52 174.72 1y79 h SER 169 N 0.42 0.57 -0.03 4.18 0.87 -1.35 -2.57 113.55 115.64 1y79 h SER 169 Ca -0.04 -0.31 -0.12 0.00 -1.23 0.00 0.00 61.79 60.09 1y79 h SER 169 Cb 1.35 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.14 1y79 h SER 169 CO 0.14 1.02 -0.35 1.56 -0.53 0.00 0.00 176.83 178.68 1y79 h GLN 170 N 0.39 0.52 -0.22 2.24 4.20 -1.00 -2.29 115.11 118.94 1y79 h GLN 170 Ca 0.00 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.46 1y79 h GLN 170 Cb 1.11 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 1y79 h GLN 170 CO 0.10 0.80 0.07 0.35 -0.67 0.00 0.00 178.83 179.48 1y79 h PHE 171 N 0.44 0.35 -0.10 2.96 3.04 -0.85 -1.92 116.94 120.85 1y79 h PHE 171 Ca 0.05 -0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.91 1y79 h PHE 171 Cb 0.81 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.21 1y79 h PHE 171 CO 0.03 0.42 -0.17 -0.91 -2.02 0.00 0.00 178.31 175.66 1y79 h ASN 172 N 0.18 0.15 -0.10 0.41 2.35 -1.36 -0.58 115.58 116.64 1y79 h ASN 172 Ca 0.07 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.72 1y79 h ASN 172 Cb 0.23 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1y79 h ASN 172 CO -0.00 0.34 -0.22 1.56 -1.65 0.00 0.00 177.43 177.46 1y79 h GLN 173 N 0.15 0.32 -0.28 0.81 4.20 -1.28 -1.86 115.11 117.17 1y79 h GLN 173 Ca 0.03 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.48 1y79 h GLN 173 Cb 0.39 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1y79 h GLN 173 CO 0.03 0.82 -0.03 0.00 -0.67 0.00 0.00 178.83 178.97 1y79 h ARG 174 N -0.14 0.43 -0.26 1.46 3.08 -1.16 -2.34 114.38 115.45 1y79 h ARG 174 Ca -0.00 -0.09 -0.15 0.00 0.07 0.00 0.00 59.98 59.80 1y79 h ARG 174 Cb 0.82 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 1y79 h ARG 174 CO 0.05 0.49 -0.44 1.25 -1.07 0.00 0.00 179.97 180.25 1y79 h LEU 175 N 0.42 0.84 -0.27 3.04 5.85 -1.07 0.50 115.31 124.62 1y79 h LEU 175 Ca 0.09 -0.53 0.02 0.00 0.84 0.00 0.00 57.88 58.31 1y79 h LEU 175 Cb 0.32 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1y79 h LEU 175 CO 0.01 1.20 0.12 0.25 -0.34 0.00 0.00 178.44 179.68 1y79 h LEU 176 N 0.50 0.16 -0.83 2.25 5.85 -1.14 -0.26 115.31 121.85 1y79 h LEU 176 Ca 0.02 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1y79 h LEU 176 Cb 1.04 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 1y79 h LEU 176 CO 0.10 0.13 0.50 0.00 -0.34 0.00 0.00 178.44 178.83 1y79 h ALA 177 N 1.15 1.05 -0.64 1.25 0.00 -1.33 0.24 119.26 120.98 1y79 h ALA 177 Ca 0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1y79 h ALA 177 Cb 0.05 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1y79 h ALA 177 CO -0.09 0.51 0.29 0.00 0.00 0.00 0.00 179.25 179.95 1y79 h ALA 178 N 1.27 0.83 0.64 0.00 0.00 -0.43 -1.39 119.26 120.18 1y79 h ALA 178 Ca 0.30 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1y79 h ALA 178 Cb -0.05 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.49 1y79 h ALA 178 CO -0.06 0.41 -0.31 -0.91 0.00 0.00 0.00 179.25 178.39 1y79 h ASN 179 N 0.89 -0.73 0.38 0.00 2.35 -0.64 -0.87 115.58 116.96 1y79 h ASN 179 Ca 0.22 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.93 1y79 h ASN 179 Cb 0.15 0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 1y79 h ASN 179 CO -0.02 -0.40 -0.11 0.11 -1.65 0.00 0.00 177.43 175.36 1y79 h LYS 180 N -1.08 0.00 -0.10 0.81 1.79 -0.94 -1.71 116.57 115.33 1y79 h LYS 180 Ca -0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1y79 h LYS 180 Cb 0.71 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1y79 h LYS 180 CO 0.15 0.11 0.00 -1.13 -1.08 0.00 0.00 179.45 177.49 1y79 n SER 181 N -3.60 2.78 -0.89 0.86 3.41 -0.53 -4.51 113.62 111.15 1y79 n SER 181 Ca -0.02 -1.85 0.07 0.00 -0.26 0.00 0.00 58.87 56.82 1y79 n SER 181 Cb 0.23 -0.05 0.22 0.00 -0.26 0.00 0.00 64.21 64.34 1y79 n SER 181 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y79 n GLY 182 N 1.13 2.92 3.72 5.00 0.00 -0.33 -5.03 105.19 112.60 1y79 n GLY 182 Ca 0.13 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 45.25 1y79 n GLY 182 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y79 s GLY 183 N -1.13 1.68 -0.17 -0.02 0.00 -1.22 -4.76 107.32 101.70 1y79 s GLY 183 Ca 0.33 0.39 -0.29 0.00 0.00 0.00 0.00 44.72 45.14 1y79 s GLY 183 CO 0.18 0.78 1.20 -2.27 0.00 0.00 0.00 173.10 172.99 1y79 s LEU 184 N -6.26 4.17 -0.20 0.66 2.96 0.07 -4.84 118.68 115.23 1y79 s LEU 184 Ca 0.64 1.62 -0.16 0.00 -0.22 0.00 0.00 54.13 56.01 1y79 s LEU 184 Cb -0.20 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 1y79 s LEU 184 CO 0.57 -0.72 0.39 -0.69 -1.32 0.00 0.00 176.35 174.58 1y79 s VAL 185 N 3.30 5.20 -0.08 1.68 1.01 -1.26 -1.09 120.40 129.16 1y79 s VAL 185 Ca 0.52 0.69 0.00 0.00 0.00 0.00 0.00 61.98 63.19 1y79 s VAL 185 Cb -0.20 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1y79 s VAL 185 CO 0.13 0.25 -0.06 -0.69 0.00 0.00 0.00 175.10 174.73 1y79 s VAL 186 N 1.32 3.77 -0.16 2.92 1.01 0.14 -4.97 120.40 124.42 1y79 s VAL 186 Ca 0.19 -0.45 0.05 0.00 0.00 0.00 0.00 61.98 61.77 1y79 s VAL 186 Cb -0.15 -2.56 -0.23 0.00 0.00 0.00 0.00 36.38 33.45 1y79 s VAL 186 CO 0.08 0.59 0.21 0.59 0.00 0.00 0.00 175.10 176.57 1y79 n ASN 187 N 2.35 1.36 -4.32 3.32 3.02 -1.26 -1.82 115.26 117.91 1y79 n ASN 187 Ca -0.18 0.12 -0.32 0.00 -0.03 0.00 0.00 54.58 54.17 1y79 n ASN 187 Cb 0.53 -0.17 -0.16 0.00 -0.61 0.00 0.00 39.78 39.37 1y79 n ASN 187 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1y79 s ASP 188 N -6.36 3.26 0.58 6.41 1.01 -1.26 -4.87 116.67 115.44 1y79 s ASP 188 Ca -0.19 -0.44 0.28 0.00 0.71 0.00 0.00 52.55 52.91 1y79 s ASP 188 Cb 0.07 -0.69 1.74 0.00 1.01 0.00 0.00 42.92 45.06 1y79 s ASP 188 CO 0.75 0.29 2.24 0.40 0.21 0.00 0.00 175.17 179.06 1y79 h ILE 189 N 4.75 0.60 0.00 0.77 2.04 -1.97 -0.60 117.51 123.10 1y79 h ILE 189 Ca -0.38 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1y79 h ILE 189 Cb 1.15 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1y79 h ILE 189 CO 0.48 0.00 -0.10 0.00 0.00 0.00 0.00 178.15 178.53 1y79 h ALA 190 N 2.00 1.83 0.00 1.87 0.00 -2.02 -1.05 119.26 121.89 1y79 h ALA 190 Ca -0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1y79 h ALA 190 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1y79 h ALA 190 CO 0.00 0.12 -0.21 1.96 0.00 0.00 0.00 179.25 181.12 1y79 h GLN 191 N 0.00 0.00 -0.77 0.00 4.20 -1.52 -2.58 115.11 114.43 1y79 h GLN 191 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1y79 h GLN 191 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1y79 h GLN 191 CO 0.01 0.21 0.00 1.28 -0.67 0.00 0.00 178.83 179.66 1y79 n LEU 192 N -3.90 3.09 -4.68 1.46 4.77 -0.40 -4.59 117.00 112.74 1y79 n LEU 192 Ca -0.02 -1.56 -0.50 0.00 -0.03 0.00 0.00 56.01 53.90 1y79 n LEU 192 Cb 0.30 -0.56 -0.05 0.00 -2.33 0.00 0.00 43.42 40.78 1y79 n LEU 192 CO 0.34 0.43 1.46 0.00 -1.33 0.00 0.00 177.39 178.28 1y79 n ALA 193 N 0.30 0.74 0.00 -1.18 0.00 -0.98 -2.11 120.51 117.29 1y79 n ALA 193 Ca 0.13 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1y79 n ALA 193 Cb 0.66 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.65 1y79 n ALA 193 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y79 n GLY 194 N 4.33 0.55 3.88 0.00 0.00 -1.26 -0.82 105.19 111.87 1y79 n GLY 194 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 1y79 n GLY 194 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1y79 s MET 195 N -0.00 3.60 1.09 1.61 1.00 -0.90 -4.77 119.30 120.93 1y79 s MET 195 Ca 0.00 0.67 -0.18 0.00 0.00 0.00 0.00 55.69 56.18 1y79 s MET 195 Cb 0.00 -2.13 0.25 0.00 0.00 0.00 0.00 34.83 32.95 1y79 s MET 195 CO 0.00 -0.51 1.23 -1.54 0.00 0.00 0.00 175.02 174.20 1y79 s SER 196 N -4.15 1.93 0.11 3.03 1.04 -1.26 -4.84 113.70 109.57 1y79 s SER 196 Ca 0.54 0.40 -0.12 0.00 0.48 0.00 0.00 55.95 57.25 1y79 s SER 196 Cb -0.11 -0.51 -0.12 0.00 0.10 0.00 0.00 66.02 65.38 1y79 s SER 196 CO 0.52 -3.48 1.36 -0.33 0.98 0.00 0.00 173.24 172.29 1y79 h GLU 197 N -2.15 0.83 -0.34 4.02 5.08 -1.98 -1.51 114.58 118.53 1y79 h GLU 197 Ca -0.44 -0.59 -0.03 0.00 -1.00 0.00 0.00 59.36 57.30 1y79 h GLU 197 Cb 1.26 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 1y79 h GLU 197 CO 0.34 1.22 0.11 1.96 -1.00 0.00 0.00 179.01 181.63 1y79 h GLN 198 N 0.60 0.54 -0.51 2.33 7.50 -1.98 0.43 115.11 124.02 1y79 h GLN 198 Ca -0.02 -0.12 0.00 0.00 0.50 0.00 0.00 58.65 59.02 1y79 h GLN 198 Cb 1.26 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 28.69 1y79 h GLN 198 CO 0.14 0.57 0.32 0.93 -1.50 0.00 0.00 178.83 179.29 1y79 h GLU 199 N 0.40 0.68 -0.35 1.46 5.08 -1.92 0.74 114.58 120.67 1y79 h GLU 199 Ca 0.11 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1y79 h GLU 199 Cb 0.26 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1y79 h GLU 199 CO -0.00 0.47 0.21 0.82 -1.00 0.00 0.00 179.01 179.51 1y79 h ILE 200 N 0.68 1.12 -0.55 3.13 2.04 -1.01 0.50 117.51 123.42 1y79 h ILE 200 Ca 0.18 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1y79 h ILE 200 Cb -0.04 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 1y79 h ILE 200 CO -0.04 0.12 0.32 0.00 0.00 0.00 0.00 178.15 178.55 1y79 h ALA 201 N 1.09 0.70 -0.65 1.87 0.00 0.49 0.15 119.26 122.90 1y79 h ALA 201 Ca 0.13 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1y79 h ALA 201 Cb 0.01 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 1y79 h ALA 201 CO -0.02 0.21 0.39 -0.07 0.00 0.00 0.00 179.25 179.75 1y79 h LEU 202 N 0.74 0.61 -0.91 0.00 3.38 0.12 0.25 115.31 119.50 1y79 h LEU 202 Ca 0.20 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1y79 h LEU 202 Cb 0.02 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1y79 h LEU 202 CO -0.03 0.41 0.38 0.00 0.09 0.00 0.00 178.44 179.28 1y79 h ALA 203 N 1.31 1.14 -0.30 1.53 0.00 0.74 0.50 119.26 124.18 1y79 h ALA 203 Ca 0.27 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 1y79 h ALA 203 Cb 0.09 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1y79 h ALA 203 CO -0.14 0.64 -0.43 0.00 0.00 0.00 0.00 179.25 179.32 1y79 h ALA 204 N 1.26 0.66 -0.40 0.00 0.00 0.32 0.06 119.26 121.18 1y79 h ALA 204 Ca 0.28 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1y79 h ALA 204 Cb 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1y79 h ALA 204 CO -0.03 0.67 -0.10 1.49 0.00 0.00 0.00 179.25 181.28 1y79 h GLU 205 N 0.62 0.76 -0.85 0.00 4.57 -0.09 0.22 114.58 119.82 1y79 h GLU 205 Ca 0.04 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 57.91 1y79 h GLU 205 Cb 0.99 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.50 1y79 h GLU 205 CO 0.09 0.90 0.45 0.00 -1.18 0.00 0.00 179.01 179.27 1y79 h ALA 206 N 0.84 1.09 -0.51 2.92 0.00 0.13 0.10 119.26 123.83 1y79 h ALA 206 Ca 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1y79 h ALA 206 Cb 0.62 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1y79 h ALA 206 CO 0.04 0.62 0.27 0.00 0.00 0.00 0.00 179.25 180.19 1y79 h ALA 207 N 1.24 0.65 0.28 0.00 0.00 -0.71 -2.40 119.26 118.31 1y79 h ALA 207 Ca 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1y79 h ALA 207 Cb 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1y79 h ALA 207 CO -0.04 0.17 -0.14 -0.09 0.00 0.00 0.00 179.25 179.15 1y79 h ARG 208 N 0.67 -0.37 -0.81 0.00 2.43 -0.16 0.14 114.38 116.29 1y79 h ARG 208 Ca 0.18 0.02 0.23 0.00 -0.81 0.00 0.00 59.98 59.60 1y79 h ARG 208 Cb 0.06 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 1y79 h ARG 208 CO -0.03 -0.20 0.58 0.93 -1.51 0.00 0.00 179.97 179.73 1y79 h GLU 209 N -0.44 0.05 -0.09 0.20 5.08 -0.67 0.96 114.58 119.66 1y79 h GLU 209 Ca -0.04 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1y79 h GLU 209 Cb 0.33 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1y79 h GLU 209 CO 0.06 0.04 0.00 1.63 -1.00 0.00 0.00 179.01 179.74 1y79 n LYS 210 N -4.33 1.65 -1.55 2.33 4.76 -0.91 -4.93 118.16 115.18 1y79 n LYS 210 Ca 0.17 -0.96 -0.02 0.00 -2.87 0.00 0.00 58.31 54.63 1y79 n LYS 210 Cb 0.84 -1.43 -0.00 0.00 -1.84 0.00 0.00 35.03 32.60 1y79 n LYS 210 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1y79 n GLY 211 N 1.13 0.41 3.59 0.72 0.00 0.33 -5.04 105.19 106.33 1y79 n GLY 211 Ca 0.17 -0.91 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 1y79 n GLY 211 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y79 s LEU 212 N -0.47 3.90 -0.19 0.99 1.43 -0.01 -5.00 118.68 119.33 1y79 s LEU 212 Ca 0.00 -0.00 -0.10 0.00 -1.03 0.00 0.00 54.13 53.00 1y79 s LEU 212 Cb 0.00 -2.05 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 1y79 s LEU 212 CO 0.00 0.02 0.14 -1.81 0.23 0.00 0.00 176.35 174.93 1y79 s ASP 213 N 1.33 6.25 -0.65 2.29 -0.00 -1.26 -3.86 116.67 120.77 1y79 s ASP 213 Ca 0.06 0.28 0.00 0.00 -0.00 0.00 0.00 52.55 52.89 1y79 s ASP 213 Cb -0.15 -2.09 0.00 0.00 -0.00 0.00 0.00 42.92 40.68 1y79 s ASP 213 CO 0.06 0.20 0.00 0.59 -0.00 0.00 0.00 175.17 176.02 1y79 n ASN 214 N 3.34 -3.36 -4.54 0.27 3.02 -1.26 -5.03 115.26 107.71 1y79 n ASN 214 Ca -0.16 0.10 -0.25 0.00 -0.03 0.00 0.00 54.58 54.24 1y79 n ASN 214 Cb 0.52 -1.87 -0.11 0.00 -0.61 0.00 0.00 39.78 37.72 1y79 n ASN 214 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1y79 s LYS 215 N -3.16 1.80 -0.04 3.52 -0.14 -1.26 -4.87 119.74 115.60 1y79 s LYS 215 Ca 0.00 -1.99 0.04 0.00 -1.36 0.00 0.00 55.97 52.66 1y79 s LYS 215 Cb 0.00 -1.41 -0.00 0.00 -1.68 0.00 0.00 37.83 34.74 1y79 s LYS 215 CO 0.00 -0.03 -0.16 -1.58 -0.76 0.00 0.00 175.35 172.82 1y79 s TRP 216 N -2.87 1.56 -0.07 3.18 0.51 -0.75 -4.52 118.94 115.97 1y79 s TRP 216 Ca 0.34 -0.43 0.04 0.00 -2.12 0.00 0.00 56.10 53.93 1y79 s TRP 216 Cb 0.07 -1.06 0.00 0.00 -0.81 0.00 0.00 33.47 31.68 1y79 s TRP 216 CO 0.16 -0.15 -0.20 -1.17 -0.51 0.00 0.00 176.95 175.08 1y79 s LEU 217 N 0.06 1.95 -0.31 2.99 2.96 -0.25 0.24 118.68 126.32 1y79 s LEU 217 Ca -0.03 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.42 1y79 s LEU 217 Cb -0.11 -1.17 0.06 0.00 0.50 0.00 0.00 46.19 45.47 1y79 s LEU 217 CO 0.02 0.15 0.01 -0.63 -1.32 0.00 0.00 176.35 174.58 1y79 s ILE 218 N 0.24 2.90 0.70 6.68 1.01 -0.25 -4.35 121.20 128.13 1y79 s ILE 218 Ca -0.11 -1.52 -0.14 0.00 0.00 0.00 0.00 60.65 58.87 1y79 s ILE 218 Cb -0.15 -2.73 0.02 0.00 0.01 0.00 0.00 42.46 39.61 1y79 s ILE 218 CO 0.05 -0.18 1.12 -2.84 0.00 0.00 0.00 174.94 173.09 1y79 s PRO 219 N 1.21 2.55 0.32 2.79 0.02 -1.26 -0.75 135.00 139.87 1y79 s PRO 219 Ca -0.03 1.40 -0.13 0.00 0.02 0.00 0.00 61.00 62.25 1y79 s PRO 219 Cb -0.20 -1.92 -0.08 0.00 0.02 0.00 0.00 34.50 32.32 1y79 s PRO 219 CO -0.02 -1.45 0.70 -0.51 -0.33 0.00 0.00 177.00 175.39 1y79 s LEU 220 N -5.17 4.04 0.26 -5.54 1.43 -1.26 -4.87 118.68 107.58 1y79 s LEU 220 Ca 0.67 1.17 0.06 0.00 -1.03 0.00 0.00 54.13 55.00 1y79 s LEU 220 Cb -0.21 -3.98 -0.03 0.00 0.03 0.00 0.00 46.19 42.00 1y79 s LEU 220 CO 0.45 -0.21 0.32 -0.76 0.23 0.00 0.00 176.35 176.38 1y79 s LEU 221 N -3.12 4.06 0.52 1.79 1.02 -1.26 -5.03 118.68 116.67 1y79 s LEU 221 Ca 0.52 -0.11 0.27 0.00 0.02 0.00 0.00 54.13 54.83 1y79 s LEU 221 Cb -0.10 -2.64 1.45 0.00 0.02 0.00 0.00 46.19 44.92 1y79 s LEU 221 CO 0.21 -0.13 2.08 -0.55 0.02 0.00 0.00 176.35 177.97 1y79 h ASN 222 N 1.23 0.00 -3.93 2.29 -1.07 -1.94 -3.45 115.58 108.72 1y79 h ASN 222 Ca -0.49 0.00 -0.47 0.00 0.07 0.00 0.00 56.30 55.41 1y79 h ASN 222 Cb 1.24 0.00 0.08 0.00 -2.07 0.00 0.00 38.32 37.57 1y79 h ASN 222 CO 0.60 0.11 0.26 0.42 0.07 0.00 0.00 177.43 178.89 1y79 s THR 223 N -4.24 2.59 0.06 6.14 -4.23 -1.26 -4.94 115.64 109.77 1y79 s THR 223 Ca -0.03 -0.11 -0.20 0.00 -1.18 0.00 0.00 61.69 60.17 1y79 s THR 223 Cb 0.13 -3.13 -0.11 0.00 1.34 0.00 0.00 72.50 70.73 1y79 s THR 223 CO 0.59 -0.14 1.45 0.74 -0.54 0.00 0.00 174.62 176.72 1y79 h THR 224 N -0.59 1.29 -3.84 3.99 2.02 -1.54 -3.42 112.91 110.81 1y79 h THR 224 Ca -0.45 -1.03 -0.49 0.00 0.77 0.00 0.00 66.41 65.22 1y79 h THR 224 Cb 1.30 1.57 -0.00 0.00 -1.74 0.00 0.00 68.15 69.28 1y79 h THR 224 CO 0.62 0.31 0.40 -1.10 0.37 0.00 0.00 175.52 176.12 1y79 s GLN 225 N -4.75 4.60 -0.17 6.66 -1.52 -1.26 -4.84 119.66 118.38 1y79 s GLN 225 Ca -0.14 1.56 -0.03 0.00 -1.95 0.00 0.00 55.36 54.80 1y79 s GLN 225 Cb 0.06 -3.01 -0.02 0.00 -0.22 0.00 0.00 33.01 29.83 1y79 s GLN 225 CO 0.74 0.24 -0.05 -0.65 -0.25 0.00 0.00 175.29 175.33 1y79 s GLN 226 N -1.71 3.54 0.27 2.91 -1.52 -1.26 -4.87 119.66 117.03 1y79 s GLN 226 Ca 0.47 -0.57 0.01 0.00 -1.95 0.00 0.00 55.36 53.32 1y79 s GLN 226 Cb -0.25 -2.91 0.60 0.00 -0.22 0.00 0.00 33.01 30.23 1y79 s GLN 226 CO 0.32 0.10 1.75 -1.35 -0.25 0.00 0.00 175.29 175.86 1y79 h PRO 227 N 7.14 0.58 -0.00 2.91 0.11 -1.97 -2.35 132.00 138.41 1y79 h PRO 227 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1y79 h PRO 227 Cb 1.19 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1y79 h PRO 227 CO 0.60 0.38 0.00 0.00 -0.21 0.00 0.00 178.00 178.78 1y79 h ALA 228 N 1.60 1.06 -0.57 -0.75 0.00 -1.98 -2.55 119.26 116.06 1y79 h ALA 228 Ca 0.50 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.53 1y79 h ALA 228 Cb 0.78 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1y79 h ALA 228 CO -0.40 -0.00 0.39 -0.07 0.00 0.00 0.00 179.25 179.17 1y79 h LEU 229 N 0.00 0.23 -2.05 0.00 3.38 -1.81 -1.25 115.31 113.80 1y79 h LEU 229 Ca 0.00 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1y79 h LEU 229 Cb 0.01 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1y79 h LEU 229 CO -0.00 0.13 -0.09 0.00 0.09 0.00 0.00 178.44 178.58 1y79 h ALA 230 N 1.72 1.49 0.00 1.53 0.00 -1.67 -3.23 119.26 119.10 1y79 h ALA 230 Ca 0.27 -0.08 -0.36 0.00 0.00 0.00 0.00 54.91 54.74 1y79 h ALA 230 Cb 0.73 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 1y79 h ALA 230 CO -0.06 0.11 -2.28 0.39 0.00 0.00 0.00 179.25 177.41 1y79 n GLU 231 N -3.90 0.68 -1.86 0.00 1.02 -0.50 -4.39 120.64 111.69 1y79 n GLU 231 Ca -0.02 0.07 -0.43 0.00 -0.02 0.00 0.00 57.16 56.76 1y79 n GLU 231 Cb 0.18 -1.57 -0.03 0.00 -0.02 0.00 0.00 31.44 30.00 1y79 n GLU 231 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1y79 s MET 232 N -2.51 3.61 0.29 3.49 -1.94 -1.05 -4.29 119.30 116.90 1y79 s MET 232 Ca -0.13 1.93 0.16 0.00 -1.71 0.00 0.00 55.69 55.94 1y79 s MET 232 Cb 0.07 -4.18 0.10 0.00 2.01 0.00 0.00 34.83 32.82 1y79 s MET 232 CO 0.79 -1.53 1.44 0.00 -0.01 0.00 0.00 175.02 175.71 1y79 h ARG 233 N 12.24 0.00 -5.90 2.03 3.08 -1.31 -3.42 114.38 121.09 1y79 h ARG 233 Ca -0.39 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.07 1y79 h ARG 233 Cb 1.20 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.13 1y79 h ARG 233 CO 0.98 0.41 0.75 0.34 -1.07 0.00 0.00 179.97 181.37 1y79 s ASP 234 N -6.37 6.22 0.42 7.04 3.68 -1.26 -4.89 116.67 121.50 1y79 s ASP 234 Ca 0.04 -0.61 0.13 0.00 2.13 0.00 0.00 52.55 54.24 1y79 s ASP 234 Cb 0.07 -2.48 0.99 0.00 -1.45 0.00 0.00 42.92 40.06 1y79 s ASP 234 CO 0.74 -1.53 1.94 -0.09 0.13 0.00 0.00 175.17 176.35 1y79 h ARG 235 N 9.67 0.46 -0.23 4.34 2.43 -1.95 0.94 114.38 130.03 1y79 h ARG 235 Ca -0.28 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 58.80 1y79 h ARG 235 Cb 1.06 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1y79 h ARG 235 CO 1.20 0.30 -0.14 0.00 -1.51 0.00 0.00 179.97 179.82 1y79 h ALA 236 N 1.65 1.32 -0.00 2.80 0.00 -1.98 -1.22 119.26 121.84 1y79 h ALA 236 Ca 0.34 -0.26 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 1y79 h ALA 236 Cb 0.68 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1y79 h ALA 236 CO -0.11 0.45 -0.83 1.15 0.00 0.00 0.00 179.25 179.92 1y79 h THR 237 N 0.36 1.52 -0.48 0.00 2.02 -1.15 -2.20 112.91 112.97 1y79 h THR 237 Ca 0.07 -2.63 -0.04 0.00 0.77 0.00 0.00 66.41 64.59 1y79 h THR 237 Cb 0.47 2.44 -0.02 0.00 -1.74 0.00 0.00 68.15 69.30 1y79 h THR 237 CO 0.03 0.76 0.16 0.03 0.37 0.00 0.00 175.52 176.87 1y79 h ARG 238 N 0.06 0.75 -0.61 6.66 3.08 -0.70 -0.72 114.38 122.90 1y79 h ARG 238 Ca -0.03 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 1y79 h ARG 238 Cb 1.44 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 31.35 1y79 h ARG 238 CO 0.12 0.69 0.33 1.49 -1.07 0.00 0.00 179.97 181.53 1y79 h GLU 239 N 0.65 0.86 -0.74 0.04 4.81 -1.20 -0.15 114.58 118.83 1y79 h GLU 239 Ca 0.16 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1y79 h GLU 239 Cb 0.25 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1y79 h GLU 239 CO -0.01 0.66 0.28 0.87 -0.73 0.00 0.00 179.01 180.08 1y79 h LYS 240 N 0.83 1.12 -0.24 1.92 1.57 -1.00 0.19 116.57 120.97 1y79 h LYS 240 Ca 0.21 -0.21 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1y79 h LYS 240 Cb 0.05 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 1y79 h LYS 240 CO -0.03 0.92 -0.26 1.25 -0.57 0.00 0.00 179.45 180.75 1y79 h LEU 241 N 1.09 0.64 -0.02 2.94 5.85 -0.90 -1.88 115.31 123.02 1y79 h LEU 241 Ca 0.25 -0.48 0.01 0.00 0.84 0.00 0.00 57.88 58.49 1y79 h LEU 241 Cb 0.23 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1y79 h LEU 241 CO -0.02 0.99 -0.02 0.15 -0.34 0.00 0.00 178.44 179.20 1y79 h PHE 242 N 0.30 -0.06 -0.06 1.25 3.57 -0.70 -2.32 116.94 118.91 1y79 h PHE 242 Ca 0.03 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 1y79 h PHE 242 Cb 0.82 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1y79 h PHE 242 CO 0.08 -0.04 -0.24 0.82 -2.23 0.00 0.00 178.31 176.70 1y79 h ILE 243 N -0.03 1.20 -0.65 1.41 1.08 -1.00 0.48 117.51 120.00 1y79 h ILE 243 Ca 0.02 -0.95 -0.06 0.00 -0.39 0.00 0.00 64.86 63.48 1y79 h ILE 243 Cb 0.06 1.43 -0.03 0.00 -3.07 0.00 0.00 36.82 35.21 1y79 h ILE 243 CO -0.04 0.28 0.17 0.00 -0.69 0.00 0.00 178.15 177.88 1y79 h ALA 244 N 1.66 1.09 -0.04 1.87 0.00 -1.02 0.17 119.26 122.99 1y79 h ALA 244 Ca 0.02 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1y79 h ALA 244 Cb 0.48 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1y79 h ALA 244 CO 0.03 0.61 -0.44 0.78 0.00 0.00 0.00 179.25 180.24 1y79 h GLY 245 N 1.05 0.41 0.74 0.00 0.00 -0.74 -1.87 103.07 102.66 1y79 h GLY 245 Ca 0.21 -0.64 0.05 0.00 0.00 0.00 0.00 47.33 46.96 1y79 h GLY 245 CO -0.00 0.56 0.43 -0.25 0.00 0.00 0.00 176.54 177.28 1y79 h TRP 246 N -0.15 0.80 -0.61 5.60 2.91 0.29 -2.83 115.95 121.96 1y79 h TRP 246 Ca -0.04 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.00 1y79 h TRP 246 Cb 1.13 -0.25 0.00 0.00 -0.51 0.00 0.00 29.16 29.52 1y79 h TRP 246 CO 0.14 0.41 0.00 0.25 -1.03 0.00 0.00 178.44 178.21 1y79 n THR 247 N -4.71 1.24 -0.33 2.65 -2.24 0.57 -4.72 114.28 106.73 1y79 n THR 247 Ca 0.09 -1.08 0.19 0.00 -2.27 0.00 0.00 64.05 60.98 1y79 n THR 247 Cb 0.15 0.39 0.40 0.00 -2.10 0.00 0.00 70.33 69.17 1y79 n THR 247 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1y79 h ARG 248 N 3.65 0.44 -0.27 -0.78 0.11 -1.07 -1.92 114.38 114.54 1y79 h ARG 248 Ca 0.00 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.04 1y79 h ARG 248 Cb 1.06 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 32.03 1y79 h ARG 248 CO 0.06 0.29 0.00 0.00 0.10 0.00 0.00 179.97 180.43 1y79 n ALA 249 N -2.35 3.07 -2.49 0.08 0.00 -1.26 -4.60 120.51 112.96 1y79 n ALA 249 Ca 0.28 -2.34 -0.07 0.00 0.00 0.00 0.00 53.44 51.30 1y79 n ALA 249 Cb 0.81 -0.73 0.05 0.00 0.00 0.00 0.00 19.45 19.58 1y79 n ALA 249 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1y79 n GLU 250 N -0.52 2.21 -0.43 0.00 1.02 -0.72 -1.74 120.64 120.46 1y79 n GLU 250 Ca 0.22 -3.60 0.08 0.00 -0.02 0.00 0.00 57.16 53.84 1y79 n GLU 250 Cb 0.91 -1.71 0.28 0.00 -0.02 0.00 0.00 31.44 30.90 1y79 n GLU 250 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1y79 n LYS 251 N -0.58 2.91 -3.71 3.49 5.02 -1.25 -4.92 118.16 119.12 1y79 n LYS 251 Ca 0.20 -2.24 -0.28 0.00 -2.02 0.00 0.00 58.31 53.96 1y79 n LYS 251 Cb 0.88 -1.66 0.01 0.00 -0.02 0.00 0.00 35.03 34.23 1y79 n LYS 251 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1y79 n ASN 252 N 1.00 -4.39 -0.31 4.39 3.02 -1.26 -4.95 115.26 112.76 1y79 n ASN 252 Ca 0.20 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 1y79 n ASN 252 Cb 0.66 -3.55 0.00 0.00 -0.61 0.00 0.00 39.78 36.28 1y79 n ASN 252 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1y79 n ASP 253 N -2.61 2.00 0.06 6.41 5.68 -1.26 -4.99 116.55 121.84 1y79 n ASP 253 Ca 0.02 -0.15 0.09 0.00 -0.50 0.00 0.00 54.79 54.25 1y79 n ASP 253 Cb 0.53 0.00 0.39 0.00 -1.14 0.00 0.00 41.12 40.90 1y79 n ASP 253 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1y79 n ALA 254 N -3.00 1.63 0.30 2.12 0.00 -1.26 -2.80 120.51 117.50 1y79 n ALA 254 Ca 0.00 0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.53 1y79 n ALA 254 Cb 0.00 -1.30 0.11 0.00 0.00 0.00 0.00 19.45 18.26 1y79 n ALA 254 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1y79 n ASN 255 N -1.86 2.55 -4.70 0.00 3.02 -1.26 -4.92 115.26 108.09 1y79 n ASN 255 Ca 0.03 -1.74 -0.42 0.00 -0.03 0.00 0.00 54.58 52.41 1y79 n ASN 255 Cb 0.19 -0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.22 1y79 n ASN 255 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1y79 s ASP 256 N -1.13 6.48 0.00 6.41 -1.08 -1.12 -4.58 116.67 121.66 1y79 s ASP 256 Ca 0.21 2.69 0.24 0.00 -0.52 0.00 0.00 52.55 55.18 1y79 s ASP 256 Cb 0.13 -2.58 0.31 0.00 -1.46 0.00 0.00 42.92 39.32 1y79 s ASP 256 CO 0.19 -0.95 1.33 0.35 0.52 0.00 0.00 175.17 176.61 1y79 n THR 257 N 4.50 0.10 -0.24 1.71 -2.24 -0.71 -4.64 114.28 112.76 1y79 n THR 257 Ca 0.16 -0.53 -0.06 0.00 -2.27 0.00 0.00 64.05 61.35 1y79 n THR 257 Cb 0.38 1.31 0.04 0.00 -2.10 0.00 0.00 70.33 69.96 1y79 n THR 257 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1y79 h ARG 258 N 4.46 0.93 -0.58 -0.78 3.08 -1.91 -1.53 114.38 118.06 1y79 h ARG 258 Ca 0.00 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 1y79 h ARG 258 Cb 0.95 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 1y79 h ARG 258 CO 0.00 0.73 0.25 0.00 -1.07 0.00 0.00 179.97 179.88 1y79 h ALA 259 N 1.16 0.75 -0.27 0.04 0.00 -1.97 -1.16 119.26 117.80 1y79 h ALA 259 Ca 0.23 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1y79 h ALA 259 Cb 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1y79 h ALA 259 CO -0.03 0.34 0.17 0.82 0.00 0.00 0.00 179.25 180.54 1y79 h ILE 260 N 0.79 1.09 -0.37 0.00 2.04 -1.83 -1.97 117.51 117.26 1y79 h ILE 260 Ca 0.19 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1y79 h ILE 260 Cb 0.16 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1y79 h ILE 260 CO -0.02 0.09 0.21 0.40 0.00 0.00 0.00 178.15 178.83 1y79 h ILE 261 N 0.34 1.03 -0.78 -0.67 2.04 -1.06 -0.73 117.51 117.68 1y79 h ILE 261 Ca 0.10 -0.15 0.11 0.00 1.00 0.00 0.00 64.86 65.92 1y79 h ILE 261 Cb -0.00 0.56 -0.08 0.00 -0.74 0.00 0.00 36.82 36.56 1y79 h ILE 261 CO -0.02 0.08 0.40 -0.61 0.00 0.00 0.00 178.15 178.00 1y79 h GLN 262 N 0.43 0.63 -0.02 2.37 4.15 -0.87 -0.64 115.11 121.16 1y79 h GLN 262 Ca 0.15 -0.04 -0.19 0.00 0.77 0.00 0.00 58.65 59.34 1y79 h GLN 262 Cb 0.02 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 1y79 h GLN 262 CO -0.08 0.42 -0.81 -0.09 -1.93 0.00 0.00 178.83 176.34 1y79 h ARG 263 N 0.65 0.24 -0.09 1.69 9.65 -1.09 -2.94 114.38 122.49 1y79 h ARG 263 Ca 0.39 -0.23 -0.14 0.00 -1.10 0.00 0.00 59.98 58.91 1y79 h ARG 263 Cb 0.45 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.08 1y79 h ARG 263 CO -0.29 0.93 -0.55 1.25 2.80 0.00 0.00 179.97 184.10 1y79 h LEU 264 N 0.15 0.29 -0.43 3.80 5.85 -0.49 -0.13 115.31 124.35 1y79 h LEU 264 Ca -0.04 -0.16 -0.16 0.00 0.84 0.00 0.00 57.88 58.37 1y79 h LEU 264 Cb 1.41 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 1y79 h LEU 264 CO 0.13 0.79 -0.41 0.58 -0.34 0.00 0.00 178.44 179.19 1y79 h VAL 265 N 0.20 1.28 -0.08 1.05 2.07 -1.14 -0.98 116.25 118.65 1y79 h VAL 265 Ca 0.00 -1.58 -0.01 0.00 0.82 0.00 0.00 66.70 65.93 1y79 h VAL 265 Cb 1.03 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1y79 h VAL 265 CO 0.09 0.52 0.02 -0.33 0.02 0.00 0.00 177.57 177.89 1y79 h GLU 266 N 0.71 0.12 -0.93 1.57 5.08 -1.30 -1.85 114.58 117.97 1y79 h GLU 266 Ca 0.05 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1y79 h GLU 266 Cb 0.99 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.17 1y79 h GLU 266 CO 0.10 0.32 0.62 0.82 -1.00 0.00 0.00 179.01 179.86 1y79 h ILE 267 N -0.10 1.20 -0.43 3.13 2.04 -0.95 -0.52 117.51 121.89 1y79 h ILE 267 Ca 0.02 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 65.39 1y79 h ILE 267 Cb 0.26 -0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.19 1y79 h ILE 267 CO 0.00 0.22 -0.01 0.03 0.00 0.00 0.00 178.15 178.39 1y79 h ARG 268 N 1.22 0.77 -0.64 2.37 3.08 -1.04 0.30 114.38 120.44 1y79 h ARG 268 Ca 0.36 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 60.09 1y79 h ARG 268 Cb -0.06 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 1y79 h ARG 268 CO -0.09 0.85 0.15 0.00 -1.07 0.00 0.00 179.97 179.81 1y79 h ALA 269 N 0.89 0.84 -0.50 0.04 0.00 -0.78 -2.17 119.26 117.58 1y79 h ALA 269 Ca 0.12 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1y79 h ALA 269 Cb 0.51 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1y79 h ALA 269 CO 0.02 0.56 0.02 1.96 0.00 0.00 0.00 179.25 181.81 1y79 h GLN 270 N 0.94 0.88 0.01 0.00 4.20 -0.94 -2.15 115.11 118.05 1y79 h GLN 270 Ca 0.20 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1y79 h GLN 270 Cb 0.36 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1y79 h GLN 270 CO 0.00 0.90 -0.01 1.96 -0.67 0.00 0.00 178.83 181.01 1y79 h GLN 271 N 0.74 -0.02 -0.54 1.46 4.20 -0.77 -2.24 115.11 117.95 1y79 h GLN 271 Ca 0.14 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.94 1y79 h GLN 271 Cb 0.49 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.21 1y79 h GLN 271 CO 0.02 -0.01 0.16 0.00 -0.67 0.00 0.00 178.83 178.33 1y79 h ALA 272 N 0.96 0.65 0.22 3.87 0.00 -1.32 -2.22 119.26 121.42 1y79 h ALA 272 Ca -0.00 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1y79 h ALA 272 Cb 0.02 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1y79 h ALA 272 CO 0.00 -0.24 -0.31 1.15 0.00 0.00 0.00 179.25 179.85 1y79 h THR 273 N 0.32 0.35 -1.17 0.00 2.02 -1.19 -0.27 112.91 112.98 1y79 h THR 273 Ca 0.27 0.00 0.33 0.00 0.77 0.00 0.00 66.41 67.78 1y79 h THR 273 Cb 0.33 0.35 -0.09 0.00 -1.74 0.00 0.00 68.15 67.00 1y79 h THR 273 CO -0.30 0.00 0.78 -0.07 0.37 0.00 0.00 175.52 176.30 1y79 h LEU 274 N -0.59 0.28 -1.01 2.58 3.38 -0.92 0.95 115.31 119.98 1y79 h LEU 274 Ca 0.01 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1y79 h LEU 274 Cb 0.57 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1y79 h LEU 274 CO -0.12 -0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.59 1y79 n LEU 275 N -4.52 1.50 0.00 1.67 4.77 -0.31 -4.92 117.00 115.19 1y79 n LEU 275 Ca 0.29 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 1y79 n LEU 275 Cb 1.13 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 1y79 n LEU 275 CO 0.28 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1y79 n GLY 276 N 1.06 0.58 3.90 -0.72 0.00 0.33 -5.07 105.19 105.27 1y79 n GLY 276 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1y79 n GLY 276 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1y79 s PHE 277 N -2.24 3.49 0.14 1.61 0.40 -0.27 -4.95 117.98 116.17 1y79 s PHE 277 Ca 0.00 0.79 0.15 0.00 -0.60 0.00 0.00 56.93 57.28 1y79 s PHE 277 Cb 0.00 -2.24 0.44 0.00 0.51 0.00 0.00 43.02 41.73 1y79 s PHE 277 CO 0.00 -0.01 1.63 -1.35 0.70 0.00 0.00 175.22 176.19 1y79 h PRO 278 N 1.20 0.00 -2.82 0.24 0.11 -1.93 -3.10 132.00 125.71 1y79 h PRO 278 Ca -0.48 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.70 1y79 h PRO 278 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1y79 h PRO 278 CO 0.64 0.50 0.35 -3.38 -0.21 0.00 0.00 178.00 175.90 1y79 s HIS 279 N -3.44 -0.02 0.20 0.65 -3.43 -1.26 -4.26 115.29 103.73 1y79 s HIS 279 Ca 0.00 -0.49 -0.11 0.00 -0.80 0.00 0.00 55.06 53.66 1y79 s HIS 279 Cb 0.11 0.75 0.15 0.00 -1.43 0.00 0.00 32.58 32.15 1y79 s HIS 279 CO 0.72 -1.25 1.85 -0.92 -2.00 0.00 0.00 174.74 173.14 1y79 h TYR 280 N 2.00 0.79 -0.39 0.38 3.20 -1.71 -2.94 116.97 118.31 1y79 h TYR 280 Ca -0.26 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.68 1y79 h TYR 280 Cb 1.24 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 39.20 1y79 h TYR 280 CO 0.93 0.47 0.12 0.00 -1.64 0.00 0.00 178.16 178.05 1y79 h ALA 281 N 1.26 0.45 -0.31 1.82 0.00 -1.02 0.48 119.26 121.94 1y79 h ALA 281 Ca 0.25 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.25 1y79 h ALA 281 Cb -0.03 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1y79 h ALA 281 CO -0.08 -0.27 0.13 0.00 0.00 0.00 0.00 179.25 179.02 1y79 h ALA 282 N 1.26 0.37 -0.10 0.00 0.00 -1.78 0.25 119.26 119.26 1y79 h ALA 282 Ca 0.18 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1y79 h ALA 282 Cb 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1y79 h ALA 282 CO -0.19 -0.27 0.04 2.35 0.00 0.00 0.00 179.25 181.18 1y79 h TRP 283 N 0.27 0.15 -0.49 0.00 7.01 -1.24 -2.90 115.95 118.75 1y79 h TRP 283 Ca 0.14 -0.01 -0.12 0.00 2.11 0.00 0.00 58.89 61.01 1y79 h TRP 283 Cb 0.09 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.08 1y79 h TRP 283 CO -0.12 0.23 -0.15 -0.22 -2.79 0.00 0.00 178.44 175.39 1y79 h LYS 284 N 0.02 0.95 0.00 2.65 1.63 0.22 -3.19 116.57 118.86 1y79 h LYS 284 Ca 0.03 -0.37 0.00 0.00 -0.85 0.00 0.00 60.65 59.47 1y79 h LYS 284 Cb 0.14 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1y79 h LYS 284 CO -0.00 1.03 -0.05 -0.89 -3.45 0.00 0.00 179.45 176.09 1y79 n ILE 285 N -4.13 0.31 -0.32 2.00 5.41 0.05 -4.12 119.36 118.57 1y79 n ILE 285 Ca 0.01 -0.15 0.20 0.00 1.00 0.00 0.00 62.75 63.81 1y79 n ILE 285 Cb 0.42 -0.50 0.47 0.00 -0.71 0.00 0.00 39.64 39.32 1y79 n ILE 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1y79 h ALA 286 N 2.74 2.12 -0.53 -1.39 0.00 -1.49 -0.76 119.26 119.95 1y79 h ALA 286 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1y79 h ALA 286 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1y79 h ALA 286 CO 0.00 -0.50 0.00 -0.40 0.00 0.00 0.00 179.25 178.35 1y79 n ASP 287 N -4.64 4.01 -4.99 0.00 5.68 -1.26 -4.76 116.55 110.59 1y79 n ASP 287 Ca 0.24 -2.33 -0.19 0.00 -0.50 0.00 0.00 54.79 52.01 1y79 n ASP 287 Cb 0.79 -0.46 0.02 0.00 -1.14 0.00 0.00 41.12 40.33 1y79 n ASP 287 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1y79 s GLN 288 N -1.61 2.68 0.36 0.11 -1.52 -0.29 -4.87 119.66 114.51 1y79 s GLN 288 Ca 0.42 -1.02 0.06 0.00 -1.95 0.00 0.00 55.36 52.87 1y79 s GLN 288 Cb 0.26 -2.62 0.68 0.00 -0.22 0.00 0.00 33.01 31.11 1y79 s GLN 288 CO 0.22 -0.50 1.91 0.52 -0.25 0.00 0.00 175.29 177.19 1y79 h MET 289 N 0.35 0.47 0.00 2.91 2.86 -1.86 -2.43 114.93 117.22 1y79 h MET 289 Ca -0.41 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.14 1y79 h MET 289 Cb 1.29 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.87 1y79 h MET 289 CO 0.48 0.48 0.00 0.00 1.06 0.00 0.00 176.91 178.94 1y79 h ALA 290 N 1.57 1.00 0.00 6.32 0.00 -1.91 -3.46 119.26 122.78 1y79 h ALA 290 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1y79 h ALA 290 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1y79 h ALA 290 CO 0.01 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.89 1y79 n LYS 291 N -2.72 0.00 -4.07 0.00 4.76 -0.92 -4.73 118.16 110.49 1y79 n LYS 291 Ca 0.02 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.35 1y79 n LYS 291 Cb 0.32 -0.84 -0.11 0.00 -1.84 0.00 0.00 35.03 32.57 1y79 n LYS 291 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1y79 s THR 292 N 0.00 0.43 0.21 -0.18 -4.23 -1.26 -3.71 115.64 106.90 1y79 s THR 292 Ca 0.00 -1.30 -0.10 0.00 -1.18 0.00 0.00 61.69 59.10 1y79 s THR 292 Cb 0.00 -0.86 0.16 0.00 1.34 0.00 0.00 72.50 73.14 1y79 s THR 292 CO 0.00 -0.59 1.87 -0.65 -0.54 0.00 0.00 174.62 174.72 1y79 h PRO 293 N 4.06 1.00 -0.86 3.99 0.11 -1.87 -2.64 132.00 135.79 1y79 h PRO 293 Ca -0.35 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 1y79 h PRO 293 Cb 1.19 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 32.03 1y79 h PRO 293 CO 0.49 0.67 0.52 1.49 -0.21 0.00 0.00 178.00 180.97 1y79 h GLU 294 N 1.03 1.16 -0.63 1.05 4.57 -1.96 0.19 114.58 119.98 1y79 h GLU 294 Ca 0.28 -0.10 -0.07 0.00 -1.18 0.00 0.00 59.36 58.29 1y79 h GLU 294 Cb -0.10 -0.25 -0.03 0.00 -0.16 0.00 0.00 28.75 28.22 1y79 h GLU 294 CO -0.06 0.80 0.12 0.00 -1.18 0.00 0.00 179.01 178.70 1y79 h ALA 295 N 1.40 1.02 -0.17 2.92 0.00 -1.78 0.38 119.26 123.04 1y79 h ALA 295 Ca 0.31 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1y79 h ALA 295 Cb -0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1y79 h ALA 295 CO -0.06 0.63 -0.04 0.00 0.00 0.00 0.00 179.25 179.78 1y79 h ALA 296 N 1.16 0.23 -0.63 0.00 0.00 -0.98 -1.76 119.26 117.27 1y79 h ALA 296 Ca 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1y79 h ALA 296 Cb 0.39 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1y79 h ALA 296 CO 0.01 -0.00 0.36 -0.07 0.00 0.00 0.00 179.25 179.54 1y79 h LEU 297 N 0.02 0.78 -0.81 0.00 3.38 -0.48 -2.34 115.31 115.86 1y79 h LEU 297 Ca 0.04 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1y79 h LEU 297 Cb 0.48 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1y79 h LEU 297 CO 0.02 0.64 0.22 0.78 0.09 0.00 0.00 178.44 180.18 1y79 h ASN 298 N 0.86 1.03 -0.21 -0.43 -0.26 -0.15 0.60 115.58 117.02 1y79 h ASN 298 Ca 0.22 -0.19 -0.01 0.00 -0.56 0.00 0.00 56.30 55.76 1y79 h ASN 298 Cb 0.02 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.00 1y79 h ASN 298 CO -0.04 0.97 0.10 0.15 -1.06 0.00 0.00 177.43 177.55 1y79 h PHE 299 N 1.06 0.31 -0.20 1.19 3.57 -1.09 -1.24 116.94 120.53 1y79 h PHE 299 Ca 0.23 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.64 1y79 h PHE 299 Cb 0.31 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 1y79 h PHE 299 CO 0.02 0.32 -0.18 0.52 -2.23 0.00 0.00 178.31 176.76 1y79 h MET 300 N 0.21 0.48 -0.30 1.11 2.86 -1.27 -3.08 114.93 114.94 1y79 h MET 300 Ca 0.07 -0.25 0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1y79 h MET 300 Cb 0.12 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1y79 h MET 300 CO -0.01 0.82 0.20 0.00 1.06 0.00 0.00 176.91 178.98 1y79 h ARG 301 N 0.16 0.37 -1.00 1.72 3.08 -0.81 -1.59 114.38 116.32 1y79 h ARG 301 Ca 0.04 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.09 1y79 h ARG 301 Cb 0.72 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.63 1y79 h ARG 301 CO 0.05 0.24 0.65 1.05 -1.07 0.00 0.00 179.97 180.89 1y79 h GLU 302 N 0.38 1.24 -0.02 0.04 4.11 -1.13 -2.86 114.58 116.34 1y79 h GLU 302 Ca 0.11 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.47 1y79 h GLU 302 Cb -0.01 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 28.96 1y79 h GLU 302 CO -0.02 0.82 -0.20 0.44 0.07 0.00 0.00 179.01 180.12 1y79 n ILE 303 N -4.44 0.00 -0.11 -1.06 -5.35 -0.68 -4.40 119.36 103.33 1y79 n ILE 303 Ca 0.13 -0.30 -0.08 0.00 -0.27 0.00 0.00 62.75 62.23 1y79 n ILE 303 Cb 0.08 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.99 1y79 n ILE 303 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 1y79 h VAL 304 N 2.84 1.02 -0.47 7.28 2.07 -1.09 -2.49 116.25 125.41 1y79 h VAL 304 Ca 0.00 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.43 1y79 h VAL 304 Cb 0.73 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1y79 h VAL 304 CO 0.00 0.07 0.20 -0.65 0.02 0.00 0.00 177.57 177.22 1y79 h PRO 305 N 0.41 0.39 -0.42 1.57 0.11 -1.77 0.11 132.00 132.40 1y79 h PRO 305 Ca 0.14 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.16 1y79 h PRO 305 Cb 0.02 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 1y79 h PRO 305 CO -0.08 0.26 0.01 0.00 -0.21 0.00 0.00 178.00 177.98 1y79 h ALA 306 N 1.29 0.57 -0.08 -0.75 0.00 -1.84 0.13 119.26 118.57 1y79 h ALA 306 Ca 0.22 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1y79 h ALA 306 Cb 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1y79 h ALA 306 CO -0.19 0.35 0.02 0.00 0.00 0.00 0.00 179.25 179.42 1y79 h ALA 307 N 0.90 0.08 -0.39 0.00 0.00 -1.16 -0.19 119.26 118.51 1y79 h ALA 307 Ca 0.12 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1y79 h ALA 307 Cb 0.47 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1y79 h ALA 307 CO 0.02 -0.45 0.08 -0.09 0.00 0.00 0.00 179.25 178.81 1y79 h ARG 308 N 0.06 0.57 -0.27 0.00 2.43 -0.65 -0.78 114.38 115.74 1y79 h ARG 308 Ca 0.04 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 1y79 h ARG 308 Cb 0.03 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1y79 h ARG 308 CO -0.04 0.54 -0.15 0.37 -1.51 0.00 0.00 179.97 179.18 1y79 h GLN 309 N 0.56 0.59 -0.53 0.20 5.75 -0.20 -0.76 115.11 120.72 1y79 h GLN 309 Ca 0.13 -0.27 -0.09 0.00 -0.15 0.00 0.00 58.65 58.27 1y79 h GLN 309 Cb 0.24 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.76 1y79 h GLN 309 CO -0.00 0.84 -0.04 -0.09 -2.65 0.00 0.00 178.83 176.89 1y79 h ARG 310 N 0.32 0.94 -0.38 1.69 2.43 -0.85 -1.82 114.38 116.72 1y79 h ARG 310 Ca 0.06 -0.30 -0.05 0.00 -0.81 0.00 0.00 59.98 58.88 1y79 h ARG 310 Cb 0.68 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 1y79 h ARG 310 CO 0.04 0.96 0.02 0.00 -1.51 0.00 0.00 179.97 179.48 1y79 h ALA 311 N 1.09 1.34 -0.39 2.80 0.00 -1.01 -0.35 119.26 122.72 1y79 h ALA 311 Ca 0.15 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1y79 h ALA 311 Cb 0.56 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1y79 h ALA 311 CO 0.03 0.46 -0.21 1.03 0.00 0.00 0.00 179.25 180.56 1y79 h SER 312 N 0.56 0.87 -0.28 0.00 0.87 -0.74 -0.81 113.55 114.02 1y79 h SER 312 Ca 0.12 -0.41 -0.05 0.00 -1.23 0.00 0.00 61.79 60.22 1y79 h SER 312 Cb 0.32 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1y79 h SER 312 CO 0.01 1.09 0.02 0.44 -0.53 0.00 0.00 176.83 177.86 1y79 h ASP 313 N 0.65 0.56 -0.40 6.23 3.32 -0.74 -0.74 116.42 125.29 1y79 h ASP 313 Ca 0.08 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 1y79 h ASP 313 Cb 0.78 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 1y79 h ASP 313 CO 0.06 0.61 -0.16 -0.33 -1.72 0.00 0.00 179.24 177.70 1y79 h GLU 314 N 0.57 0.82 -0.78 3.56 5.08 -0.82 -2.52 114.58 120.50 1y79 h GLU 314 Ca 0.12 -0.35 -0.05 0.00 -1.00 0.00 0.00 59.36 58.08 1y79 h GLU 314 Cb 0.33 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1y79 h GLU 314 CO 0.01 0.98 0.28 1.25 -1.00 0.00 0.00 179.01 180.53 1y79 h LEU 315 N 0.64 1.10 -0.67 1.33 5.85 -0.66 -1.66 115.31 121.24 1y79 h LEU 315 Ca 0.09 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.66 1y79 h LEU 315 Cb 0.71 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 1y79 h LEU 315 CO 0.05 0.99 0.41 0.00 -0.34 0.00 0.00 178.44 179.55 1y79 h ALA 316 N 1.15 0.88 -0.37 1.25 0.00 -1.01 0.11 119.26 121.28 1y79 h ALA 316 Ca 0.26 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1y79 h ALA 316 Cb 0.25 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1y79 h ALA 316 CO -0.02 0.15 -0.16 0.77 0.00 0.00 0.00 179.25 180.00 1y79 h SER 317 N 0.79 0.67 -0.45 0.00 0.02 -1.03 -0.03 113.55 113.51 1y79 h SER 317 Ca 0.28 -0.21 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 1y79 h SER 317 Cb 0.06 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1y79 h SER 317 CO -0.12 0.84 -0.06 0.40 -1.14 0.00 0.00 176.83 176.75 1y79 h ILE 318 N 0.61 1.27 -0.16 3.27 2.04 -0.54 -2.19 117.51 121.81 1y79 h ILE 318 Ca 0.10 -1.16 -0.09 0.00 1.00 0.00 0.00 64.86 64.72 1y79 h ILE 318 Cb 0.62 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1y79 h ILE 318 CO 0.04 0.40 -0.28 -0.61 0.00 0.00 0.00 178.15 177.70 1y79 h GLN 319 N 0.68 0.30 -0.70 2.37 5.75 -0.47 -1.96 115.11 121.09 1y79 h GLN 319 Ca 0.12 -0.11 -0.04 0.00 -0.15 0.00 0.00 58.65 58.47 1y79 h GLN 319 Cb 0.59 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.09 1y79 h GLN 319 CO 0.04 0.57 0.28 0.00 -2.65 0.00 0.00 178.83 177.07 1y79 h ALA 320 N 1.44 1.19 -0.40 3.38 0.00 -0.65 0.58 119.26 124.80 1y79 h ALA 320 Ca 0.04 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1y79 h ALA 320 Cb 0.64 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1y79 h ALA 320 CO 0.05 0.59 -0.11 0.28 0.00 0.00 0.00 179.25 180.06 1y79 h VAL 321 N 1.01 1.28 -0.46 0.00 2.07 -0.81 0.28 116.25 119.61 1y79 h VAL 321 Ca 0.24 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 1y79 h VAL 321 Cb 0.18 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1y79 h VAL 321 CO -0.02 0.41 0.24 0.40 0.02 0.00 0.00 177.57 178.61 1y79 h ILE 322 N 0.59 1.17 -0.54 4.57 2.04 -1.05 -2.23 117.51 122.07 1y79 h ILE 322 Ca 0.10 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 1y79 h ILE 322 Cb 0.64 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1y79 h ILE 322 CO 0.04 0.19 0.20 0.44 0.00 0.00 0.00 178.15 179.02 1y79 h ASP 323 N 0.60 0.75 -0.33 1.72 3.45 -0.78 0.16 116.42 122.00 1y79 h ASP 323 Ca 0.16 -0.18 0.09 0.00 0.43 0.00 0.00 57.03 57.52 1y79 h ASP 323 Cb 0.08 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.64 1y79 h ASP 323 CO -0.02 0.73 0.24 0.11 -1.57 0.00 0.00 179.24 178.73 1y79 h LYS 324 N 0.73 0.05 -0.72 3.56 1.57 -0.70 0.25 116.57 121.31 1y79 h LYS 324 Ca 0.18 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1y79 h LYS 324 Cb 0.23 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1y79 h LYS 324 CO -0.01 0.03 0.00 1.04 -0.57 0.00 0.00 179.45 179.94 1y79 n GLN 325 N -4.45 2.85 -3.98 3.15 6.02 -0.68 -4.95 117.38 115.34 1y79 n GLN 325 Ca 0.05 -2.65 -0.31 0.00 -0.01 0.00 0.00 57.00 54.07 1y79 n GLN 325 Cb 0.38 -1.62 -0.01 0.00 1.02 0.00 0.00 30.24 30.00 1y79 n GLN 325 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1y79 n GLN 326 N 1.55 -1.91 -0.09 -1.09 6.02 0.87 -4.85 117.38 117.89 1y79 n GLN 326 Ca 0.25 0.30 -0.06 0.00 -0.01 0.00 0.00 57.00 57.47 1y79 n GLN 326 Cb 0.66 -3.93 0.12 0.00 1.02 0.00 0.00 30.24 28.10 1y79 n GLN 326 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1y79 h GLY 327 N -1.98 0.82 0.00 1.08 0.00 -0.95 -3.48 103.07 98.57 1y79 h GLY 327 Ca -0.66 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.02 1y79 h GLY 327 CO 0.59 0.60 0.00 0.61 0.00 0.00 0.00 176.54 178.34 1y79 n GLY 328 N -0.36 0.53 3.04 4.60 0.00 -1.26 -5.05 105.19 106.70 1y79 n GLY 328 Ca 0.01 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 1y79 n GLY 328 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1y79 s PHE 329 N -2.00 0.47 0.14 1.61 -0.12 -1.26 -5.13 117.98 111.69 1y79 s PHE 329 Ca 0.00 -0.69 -0.29 0.00 -0.05 0.00 0.00 56.93 55.89 1y79 s PHE 329 Cb 0.00 -0.32 -0.07 0.00 -0.63 0.00 0.00 43.02 42.01 1y79 s PHE 329 CO 0.00 -0.21 0.93 -1.12 -0.05 0.00 0.00 175.22 174.78 1y79 s SER 330 N -2.00 7.51 0.15 1.98 0.01 -1.26 -4.93 113.70 115.16 1y79 s SER 330 Ca -0.06 1.80 -0.34 0.00 1.31 0.00 0.00 55.95 58.65 1y79 s SER 330 Cb -0.04 -2.58 -0.15 0.00 0.21 0.00 0.00 66.02 63.46 1y79 s SER 330 CO -0.03 0.01 1.47 0.00 0.41 0.00 0.00 173.24 175.09 1y79 n ALA 331 N 2.43 0.53 -2.31 1.44 0.00 -1.26 -5.00 120.51 116.33 1y79 n ALA 331 Ca 0.01 0.47 -0.23 0.00 0.00 0.00 0.00 53.44 53.68 1y79 n ALA 331 Cb 0.49 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.66 1y79 n ALA 331 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1y79 s GLN 332 N 0.60 2.38 0.40 0.00 -1.52 -1.26 -4.75 119.66 115.51 1y79 s GLN 332 Ca 0.79 -1.74 0.09 0.00 -1.95 0.00 0.00 55.36 52.55 1y79 s GLN 332 Cb -0.77 -2.22 0.89 0.00 -0.22 0.00 0.00 33.01 30.68 1y79 s GLN 332 CO 0.42 -0.32 1.99 -1.35 -0.25 0.00 0.00 175.29 175.78 1y79 h PRO 333 N 1.00 0.55 0.00 2.91 0.11 -1.77 -0.55 132.00 134.25 1y79 h PRO 333 Ca -0.40 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1y79 h PRO 333 Cb 1.27 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1y79 h PRO 333 CO 0.59 0.37 0.00 -2.67 -0.21 0.00 0.00 178.00 176.08 1y79 n TRP 334 N -4.48 0.00 0.14 0.65 2.14 -1.26 -2.91 117.44 111.72 1y79 n TRP 334 Ca 0.09 0.00 0.05 0.00 2.07 0.00 0.00 57.50 59.71 1y79 n TRP 334 Cb 0.25 0.00 -0.08 0.00 -0.81 0.00 0.00 31.31 30.67 1y79 n TRP 334 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1y79 n ASP 335 N -0.84 1.90 0.16 -0.67 10.43 -0.23 -4.73 116.55 122.57 1y79 n ASP 335 Ca 0.16 -0.22 -0.16 0.00 2.57 0.00 0.00 54.79 57.14 1y79 n ASP 335 Cb 0.07 1.36 -0.09 0.00 1.84 0.00 0.00 41.12 44.31 1y79 n ASP 335 CO 0.00 0.00 0.00 -0.25 -1.07 0.00 0.00 177.20 175.88 1y79 h TRP 336 N 0.00 -1.31 -0.73 1.24 2.91 -1.38 -2.17 115.95 114.51 1y79 h TRP 336 Ca 0.00 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.04 1y79 h TRP 336 Cb 0.44 0.54 -0.03 0.00 -0.51 0.00 0.00 29.16 29.59 1y79 h TRP 336 CO 0.00 -0.57 0.41 0.00 -1.03 0.00 0.00 178.44 177.25 1y79 h ALA 337 N -0.43 0.93 -0.16 2.65 0.00 -1.86 0.58 119.26 120.96 1y79 h ALA 337 Ca -0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1y79 h ALA 337 Cb 0.75 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1y79 h ALA 337 CO -0.20 0.43 0.09 0.35 0.00 0.00 0.00 179.25 179.92 1y79 h PHE 338 N 1.00 0.23 0.00 0.00 3.57 -1.67 -3.02 116.94 117.05 1y79 h PHE 338 Ca 0.26 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.62 1y79 h PHE 338 Cb 0.02 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 1y79 h PHE 338 CO -0.00 0.22 -0.65 1.88 -2.23 0.00 0.00 178.31 177.53 1y79 h TYR 339 N 0.17 0.00 -0.16 0.41 0.05 -1.33 -3.22 116.97 112.88 1y79 h TYR 339 Ca 0.06 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 1y79 h TYR 339 Cb 0.07 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 1y79 h TYR 339 CO -0.04 0.65 0.02 0.00 -1.05 0.00 0.00 178.16 177.73 1y79 h ALA 340 N 1.35 1.73 0.00 3.88 0.00 -0.77 -0.47 119.26 124.98 1y79 h ALA 340 Ca -0.01 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1y79 h ALA 340 Cb 1.46 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1y79 h ALA 340 CO 0.08 0.21 -0.35 0.93 0.00 0.00 0.00 179.25 180.12 1y79 h GLU 341 N 0.23 0.00 0.02 0.00 4.39 -1.54 -0.41 114.58 117.27 1y79 h GLU 341 Ca 0.06 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.55 1y79 h GLU 341 Cb 0.13 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1y79 h GLU 341 CO 0.00 0.35 -0.93 1.96 -1.16 0.00 0.00 179.01 179.24 1y79 h GLN 342 N 0.00 0.18 -0.27 2.33 4.20 -1.23 -2.31 115.11 118.01 1y79 h GLN 342 Ca -0.00 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.43 1y79 h GLN 342 Cb 0.81 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 1y79 h GLN 342 CO 0.05 0.98 -0.06 0.28 -0.67 0.00 0.00 178.83 179.41 1y79 h VAL 343 N 0.09 1.28 -0.76 -0.54 2.07 -0.59 -1.57 116.25 116.23 1y79 h VAL 343 Ca -0.05 -1.08 0.07 0.00 0.82 0.00 0.00 66.70 66.46 1y79 h VAL 343 Cb 1.58 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 32.73 1y79 h VAL 343 CO 0.14 0.34 0.50 -0.09 0.02 0.00 0.00 177.57 178.48 1y79 h ARG 344 N 0.28 0.78 -0.06 1.57 2.43 -1.08 0.22 114.38 118.51 1y79 h ARG 344 Ca 0.07 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1y79 h ARG 344 Cb 0.54 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1y79 h ARG 344 CO 0.03 0.52 0.01 -0.09 -1.51 0.00 0.00 179.97 178.92 1y79 h ARG 345 N 0.80 0.09 -0.66 0.20 9.65 -1.09 0.16 114.38 123.54 1y79 h ARG 345 Ca 0.33 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 59.15 1y79 h ARG 345 Cb 0.26 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.80 1y79 h ARG 345 CO -0.11 0.31 0.28 0.93 2.80 0.00 0.00 179.97 184.18 1y79 h GLU 346 N -0.14 0.97 0.01 0.20 5.08 -0.40 -0.63 114.58 119.67 1y79 h GLU 346 Ca 0.02 -0.16 -0.32 0.00 -1.00 0.00 0.00 59.36 57.89 1y79 h GLU 346 Cb 0.26 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 1y79 h GLU 346 CO 0.00 0.80 -1.90 1.63 -1.00 0.00 0.00 179.01 178.54 1y79 n LYS 347 N -4.43 0.66 0.00 2.33 4.76 0.68 -4.57 118.16 117.58 1y79 n LYS 347 Ca 0.05 0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.72 1y79 n LYS 347 Cb 0.16 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.62 1y79 n LYS 347 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1y79 n PHE 348 N -3.04 0.00 -3.73 2.13 3.01 0.52 -5.03 117.46 111.32 1y79 n PHE 348 Ca -0.23 -0.15 -0.23 0.00 1.01 0.00 0.00 57.45 57.86 1y79 n PHE 348 Cb 1.07 -0.01 0.03 0.00 -0.01 0.00 0.00 39.48 40.56 1y79 n PHE 348 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1y79 n ASP 349 N -0.15 -1.63 -3.66 4.37 2.03 -0.24 -4.85 116.55 112.42 1y79 n ASP 349 Ca 0.00 -0.82 -0.15 0.00 0.52 0.00 0.00 54.79 54.35 1y79 n ASP 349 Cb 0.12 -4.01 -0.08 0.00 -0.72 0.00 0.00 41.12 36.42 1y79 n ASP 349 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1y79 s LEU 350 N -6.77 -0.04 -0.06 -2.67 2.96 -1.21 -4.96 118.68 105.93 1y79 s LEU 350 Ca 0.09 0.80 0.04 0.00 -0.22 0.00 0.00 54.13 54.84 1y79 s LEU 350 Cb -0.05 1.92 -0.02 0.00 0.50 0.00 0.00 46.19 48.55 1y79 s LEU 350 CO 0.82 -0.35 -0.17 -0.62 -1.32 0.00 0.00 176.35 174.70 1y79 s ASP 351 N -0.42 3.75 0.54 3.68 -1.08 -1.26 -2.49 116.67 119.39 1y79 s ASP 351 Ca -0.06 -0.31 0.32 0.00 -0.52 0.00 0.00 52.55 51.99 1y79 s ASP 351 Cb -0.03 -0.94 1.49 0.00 -1.46 0.00 0.00 42.92 41.98 1y79 s ASP 351 CO 0.04 0.29 1.88 -0.08 0.52 0.00 0.00 175.17 177.82 1y79 h GLU 352 N 5.75 0.00 0.00 4.34 4.57 -1.99 0.34 114.58 127.59 1y79 h GLU 352 Ca -0.39 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 1y79 h GLU 352 Cb 1.16 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1y79 h GLU 352 CO 0.50 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 178.33 1y79 n ALA 353 N -2.72 1.49 0.24 2.92 0.00 -1.26 -1.14 120.51 120.04 1y79 n ALA 353 Ca 0.19 0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.88 1y79 n ALA 353 Cb 0.99 -1.36 0.36 0.00 0.00 0.00 0.00 19.45 19.45 1y79 n ALA 353 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1y79 h GLN 354 N 0.00 0.00 0.00 0.00 4.20 -1.34 -3.21 115.11 114.76 1y79 h GLN 354 Ca 0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 1y79 h GLN 354 Cb 0.26 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1y79 h GLN 354 CO 0.00 0.01 -1.09 -0.07 -0.67 0.00 0.00 178.83 177.01 1y79 h LEU 355 N 0.00 0.00 -0.97 1.46 3.38 -1.28 -3.40 115.31 114.50 1y79 h LEU 355 Ca -0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 1y79 h LEU 355 Cb 0.83 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.42 1y79 h LEU 355 CO 0.00 0.68 -0.40 0.50 0.09 0.00 0.00 178.44 179.32 1y79 h LYS 356 N 0.00 -0.01 0.00 1.13 3.64 -1.55 -0.88 116.57 118.90 1y79 h LYS 356 Ca -0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1y79 h LYS 356 Cb 1.61 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.43 1y79 h LYS 356 CO 0.07 -0.01 0.11 -2.30 -2.27 0.00 0.00 179.45 175.06 1y79 n PRO 357 N -5.46 0.12 -0.05 1.90 -0.02 -1.26 -2.05 135.00 128.17 1y79 n PRO 357 Ca 0.09 0.62 0.12 0.00 -2.02 0.00 0.00 63.50 62.31 1y79 n PRO 357 Cb 0.39 -2.02 0.21 0.00 -0.02 0.00 0.00 33.50 32.06 1y79 n PRO 357 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1y79 n TYR 358 N -2.20 0.14 -3.16 6.00 4.01 -0.33 -1.40 117.16 120.22 1y79 n TYR 358 Ca -0.01 -0.07 -0.27 0.00 -0.16 0.00 0.00 57.90 57.39 1y79 n TYR 358 Cb 0.14 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.11 1y79 n TYR 358 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1y79 n PHE 359 N 1.14 3.88 -2.81 -0.72 0.99 -0.87 -2.62 117.46 116.44 1y79 n PHE 359 Ca 0.16 -4.07 -0.41 0.00 -0.00 0.00 0.00 57.45 53.13 1y79 n PHE 359 Cb 0.55 -0.52 -0.04 0.00 -1.00 0.00 0.00 39.48 38.47 1y79 n PHE 359 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 1y79 s GLU 360 N -3.03 4.54 0.20 -1.08 2.12 -1.26 0.08 118.70 120.26 1y79 s GLU 360 Ca 0.45 1.26 -0.19 0.00 0.36 0.00 0.00 54.97 56.85 1y79 s GLU 360 Cb 0.22 -3.45 0.16 0.00 0.26 0.00 0.00 34.13 31.32 1y79 s GLU 360 CO -0.08 0.02 1.58 1.25 -0.54 0.00 0.00 175.26 177.49 1y79 h LEU 361 N 6.64 -1.15 -1.25 2.70 5.85 -1.33 1.00 115.31 127.77 1y79 h LEU 361 Ca -0.41 0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1y79 h LEU 361 Cb 1.21 0.59 -0.03 0.00 0.37 0.00 0.00 40.66 42.80 1y79 h LEU 361 CO 0.75 -0.30 0.33 -1.13 -0.34 0.00 0.00 178.44 177.75 1y79 h ASN 362 N -0.12 0.75 -0.11 1.25 -1.24 -1.93 0.23 115.58 114.41 1y79 h ASN 362 Ca 0.26 -0.06 -0.23 0.00 0.71 0.00 0.00 56.30 56.98 1y79 h ASN 362 Cb 0.56 -0.19 0.01 0.00 0.73 0.00 0.00 38.32 39.43 1y79 h ASN 362 CO -0.73 0.62 -0.84 0.74 -1.29 0.00 0.00 177.43 175.93 1y79 h THR 363 N 0.85 1.28 -0.63 -3.57 2.02 -1.61 -0.40 112.91 110.86 1y79 h THR 363 Ca 0.22 -2.03 -0.07 0.00 0.77 0.00 0.00 66.41 65.29 1y79 h THR 363 Cb 0.04 2.07 -0.03 0.00 -1.74 0.00 0.00 68.15 68.49 1y79 h THR 363 CO -0.03 0.64 0.12 0.58 0.37 0.00 0.00 175.52 177.19 1y79 h VAL 364 N 0.51 1.25 0.26 3.16 2.07 -0.37 0.18 116.25 123.32 1y79 h VAL 364 Ca -0.07 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 1y79 h VAL 364 Cb 1.47 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1y79 h VAL 364 CO 0.17 0.36 -0.13 0.25 0.02 0.00 0.00 177.57 178.25 1y79 h LEU 365 N 0.95 -0.30 -0.00 2.57 5.85 -0.48 -0.57 115.31 123.33 1y79 h LEU 365 Ca 0.20 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1y79 h LEU 365 Cb 0.39 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1y79 h LEU 365 CO 0.01 0.13 -0.01 0.78 -0.34 0.00 0.00 178.44 179.01 1y79 h ASN 366 N -0.80 0.01 1.12 1.25 4.21 -1.01 0.12 115.58 120.48 1y79 h ASN 366 Ca -0.04 -0.66 0.00 0.00 1.21 0.00 0.00 56.30 56.82 1y79 h ASN 366 Cb 0.51 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.71 1y79 h ASN 366 CO 0.06 0.67 -0.11 -0.62 -1.29 0.00 0.00 177.43 176.13 1y79 n GLU 367 N -4.76 0.13 0.00 0.81 4.71 0.63 -2.18 120.64 119.98 1y79 n GLU 367 Ca -0.09 0.09 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1y79 n GLU 367 Cb 0.33 -1.64 0.00 0.00 -1.01 0.00 0.00 31.44 29.13 1y79 n GLU 367 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1y79 n GLY 368 N 1.41 -0.18 0.24 0.62 0.00 -0.65 -3.96 105.19 102.66 1y79 n GLY 368 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 1y79 n GLY 368 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1y79 h VAL 369 N 0.00 0.59 -0.47 1.61 2.07 -0.89 -2.09 116.25 117.07 1y79 h VAL 369 Ca 0.00 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.14 1y79 h VAL 369 Cb 0.00 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1y79 h VAL 369 CO 0.00 0.06 -0.03 -0.26 0.02 0.00 0.00 177.57 177.35 1y79 h PHE 370 N -0.72 0.94 -0.84 1.57 0.04 -0.92 -2.82 116.94 114.19 1y79 h PHE 370 Ca -0.06 -0.17 0.00 0.00 2.80 0.00 0.00 57.97 60.54 1y79 h PHE 370 Cb 0.51 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.38 1y79 h PHE 370 CO -0.01 0.90 0.53 2.35 -0.60 0.00 0.00 178.31 181.49 1y79 h TRP 371 N 0.70 1.09 -0.46 -0.55 7.01 -1.48 -0.68 115.95 121.57 1y79 h TRP 371 Ca 0.13 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.10 1y79 h TRP 371 Cb 0.55 -0.36 -0.02 0.00 -2.10 0.00 0.00 29.16 27.23 1y79 h TRP 371 CO 0.04 0.71 0.14 1.15 -2.79 0.00 0.00 178.44 177.69 1y79 h THR 372 N 1.15 1.23 -0.45 2.65 2.02 -1.32 -0.20 112.91 117.98 1y79 h THR 372 Ca 0.30 -0.76 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 1y79 h THR 372 Cb -0.09 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1y79 h THR 372 CO -0.06 0.27 0.17 0.00 0.37 0.00 0.00 175.52 176.27 1y79 h ALA 373 N 1.00 1.46 -0.01 6.16 0.00 -1.21 -1.35 119.26 125.31 1y79 h ALA 373 Ca 0.15 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1y79 h ALA 373 Cb 0.27 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1y79 h ALA 373 CO -0.00 0.41 -0.00 -0.97 0.00 0.00 0.00 179.25 178.69 1y79 h ASN 374 N 0.64 0.02 0.17 0.00 -0.73 -0.42 0.11 115.58 115.36 1y79 h ASN 374 Ca 0.16 -0.33 -0.02 0.00 1.87 0.00 0.00 56.30 57.98 1y79 h ASN 374 Cb 0.14 -0.01 -0.00 0.00 0.27 0.00 0.00 38.32 38.73 1y79 h ASN 374 CO -0.01 0.34 -0.08 1.56 -0.37 0.00 0.00 177.43 178.87 1y79 h GLN 375 N -0.30 0.00 0.00 6.67 1.08 -0.85 0.48 115.11 122.19 1y79 h GLN 375 Ca 0.00 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 56.97 1y79 h GLN 375 Cb 0.33 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 1y79 h GLN 375 CO 0.00 0.08 -1.41 1.28 -0.95 0.00 0.00 178.83 177.83 1y79 n LEU 376 N -3.92 1.88 -0.30 1.46 4.77 -0.53 -3.19 117.00 117.16 1y79 n LEU 376 Ca -0.02 0.43 0.07 0.00 -0.03 0.00 0.00 56.01 56.46 1y79 n LEU 376 Cb 0.17 -0.90 -0.01 0.00 -2.33 0.00 0.00 43.42 40.35 1y79 n LEU 376 CO 0.31 0.18 0.22 0.49 -1.33 0.00 0.00 177.39 177.26 1y79 n PHE 377 N -4.42 0.00 -1.06 -1.77 3.72 0.36 -3.69 117.46 110.59 1y79 n PHE 377 Ca -0.32 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.06 1y79 n PHE 377 Cb 0.65 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.18 1y79 n PHE 377 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1y79 n GLY 378 N 1.12 0.47 3.82 1.37 0.00 0.17 -4.49 105.19 107.65 1y79 n GLY 378 Ca 0.06 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 1y79 n GLY 378 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1y79 s ILE 379 N -1.76 4.10 0.17 -0.61 -4.36 -1.26 -3.04 121.20 114.45 1y79 s ILE 379 Ca 0.00 1.00 0.08 0.00 -0.26 0.00 0.00 60.65 61.48 1y79 s ILE 379 Cb 0.00 -3.52 -0.04 0.00 1.25 0.00 0.00 42.46 40.15 1y79 s ILE 379 CO 0.00 -0.58 -0.17 -0.54 0.24 0.00 0.00 174.94 173.89 1y79 s LYS 380 N -4.07 1.28 -0.01 0.37 1.02 0.11 -4.22 119.74 114.22 1y79 s LYS 380 Ca 0.62 -1.45 0.06 0.00 0.02 0.00 0.00 55.97 55.22 1y79 s LYS 380 Cb -0.14 -1.24 -0.02 0.00 -0.52 0.00 0.00 37.83 35.92 1y79 s LYS 380 CO 0.34 0.24 -0.20 -0.06 -0.92 0.00 0.00 175.35 174.75 1y79 s PHE 381 N -2.33 1.82 -0.08 3.18 0.40 -1.26 -0.42 117.98 119.29 1y79 s PHE 381 Ca 0.17 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 56.16 1y79 s PHE 381 Cb -0.04 -1.17 0.02 0.00 0.51 0.00 0.00 43.02 42.34 1y79 s PHE 381 CO 0.07 -0.03 -0.07 0.08 0.70 0.00 0.00 175.22 175.97 1y79 s VAL 382 N -0.48 0.86 0.20 -0.44 1.01 -0.52 -4.94 120.40 116.08 1y79 s VAL 382 Ca 0.08 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 1y79 s VAL 382 Cb -0.08 -0.88 -0.08 0.00 0.00 0.00 0.00 36.38 35.34 1y79 s VAL 382 CO -0.01 0.32 0.97 -0.70 0.00 0.00 0.00 175.10 175.68 1y79 s GLU 383 N 1.40 4.78 0.12 2.72 2.12 -1.26 0.10 118.70 128.69 1y79 s GLU 383 Ca -0.02 1.51 0.09 0.00 0.36 0.00 0.00 54.97 56.92 1y79 s GLU 383 Cb -0.13 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 30.91 1y79 s GLU 383 CO -0.04 0.39 -0.20 1.03 -0.54 0.00 0.00 175.26 175.90 1y79 s ARG 384 N -0.80 1.72 -0.03 4.30 0.52 0.15 -4.89 118.95 119.91 1y79 s ARG 384 Ca 0.43 -1.21 0.05 0.00 -0.52 0.00 0.00 55.73 54.48 1y79 s ARG 384 Cb -0.26 -2.07 0.08 0.00 0.52 0.00 0.00 34.95 33.22 1y79 s ARG 384 CO 0.32 0.47 0.99 1.19 0.02 0.00 0.00 175.30 178.29 1y79 n PHE 385 N 0.80 0.00 -0.38 -0.53 3.72 -1.26 -4.32 117.46 115.49 1y79 n PHE 385 Ca -0.16 -0.56 0.07 0.00 -0.05 0.00 0.00 57.45 56.75 1y79 n PHE 385 Cb 0.53 -0.07 0.20 0.00 -0.94 0.00 0.00 39.48 39.20 1y79 n PHE 385 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1y79 n ASP 386 N -0.67 3.32 -4.43 4.37 5.75 -1.26 -4.94 116.55 118.69 1y79 n ASP 386 Ca 0.04 -2.23 -0.34 0.00 -0.01 0.00 0.00 54.79 52.26 1y79 n ASP 386 Cb 0.40 -0.33 -0.13 0.00 -1.03 0.00 0.00 41.12 40.03 1y79 n ASP 386 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1y79 s ILE 387 N -1.41 3.63 0.29 2.12 1.09 -1.26 -5.09 121.20 120.58 1y79 s ILE 387 Ca 0.31 -0.44 -0.29 0.00 -1.10 0.00 0.00 60.65 59.12 1y79 s ILE 387 Cb 0.19 -2.60 -0.11 0.00 -1.06 0.00 0.00 42.46 38.88 1y79 s ILE 387 CO 0.16 0.48 1.46 -2.84 -0.10 0.00 0.00 174.94 174.10 1y79 s PRO 388 N 0.64 4.22 0.18 2.79 0.02 -1.26 -5.00 135.00 136.59 1y79 s PRO 388 Ca -0.03 2.40 0.10 0.00 0.02 0.00 0.00 61.00 63.48 1y79 s PRO 388 Cb -0.15 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.27 1y79 s PRO 388 CO 0.02 -0.45 -0.21 0.14 -0.33 0.00 0.00 177.00 176.18 1y79 s VAL 389 N -0.38 2.08 -0.67 3.83 -7.23 -1.26 -4.53 120.40 112.24 1y79 s VAL 389 Ca 0.57 -2.00 0.25 0.00 -1.81 0.00 0.00 61.98 59.00 1y79 s VAL 389 Cb -0.44 -1.99 0.30 0.00 0.56 0.00 0.00 36.38 34.81 1y79 s VAL 389 CO 0.49 -0.24 1.74 0.10 -0.31 0.00 0.00 175.10 176.89 1y79 h TYR 390 N 3.17 0.00 -3.11 2.82 -0.00 -1.96 -3.44 116.97 114.45 1y79 h TYR 390 Ca -0.44 0.00 -0.18 0.00 0.00 0.00 0.00 58.73 58.11 1y79 h TYR 390 Cb 1.21 0.00 -0.27 0.00 0.00 0.00 0.00 36.73 37.67 1y79 h TYR 390 CO 0.69 0.00 -0.46 -1.58 -0.00 0.00 0.00 178.16 176.82 1y79 s HIS 391 N -3.12 -0.29 0.50 0.10 5.04 -1.26 -5.05 115.29 111.21 1y79 s HIS 391 Ca 0.10 0.69 0.25 0.00 -1.54 0.00 0.00 55.06 54.56 1y79 s HIS 391 Cb 0.11 0.07 1.34 0.00 0.04 0.00 0.00 32.58 34.14 1y79 s HIS 391 CO 0.61 -0.17 1.73 -1.00 -2.34 0.00 0.00 174.74 173.58 1y79 h PRO 392 N 6.31 0.00 0.00 2.88 0.13 -2.04 -1.73 132.00 137.54 1y79 h PRO 392 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1y79 h PRO 392 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1y79 h PRO 392 CO 0.36 0.00 -0.48 -0.25 -0.23 0.00 0.00 178.00 177.40 1y79 n ASP 393 N -2.66 0.51 -4.71 1.44 10.43 -1.26 -4.90 116.55 115.39 1y79 n ASP 393 Ca -0.02 -0.04 -0.42 0.00 2.57 0.00 0.00 54.79 56.88 1y79 n ASP 393 Cb 0.38 0.13 -0.03 0.00 1.84 0.00 0.00 41.12 43.45 1y79 n ASP 393 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1y79 s VAL 394 N -3.05 3.09 0.15 2.53 1.01 -0.65 -4.83 120.40 118.65 1y79 s VAL 394 Ca 0.10 0.75 0.05 0.00 0.00 0.00 0.00 61.98 62.88 1y79 s VAL 394 Cb 0.16 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1y79 s VAL 394 CO 0.69 0.05 0.10 -0.13 0.00 0.00 0.00 175.10 175.81 1y79 s ARG 395 N 1.38 2.81 -0.03 2.72 0.52 -0.34 -4.95 118.95 121.05 1y79 s ARG 395 Ca 0.67 -0.89 0.02 0.00 -0.52 0.00 0.00 55.73 55.02 1y79 s ARG 395 Cb -0.39 -2.61 0.01 0.00 0.52 0.00 0.00 34.95 32.48 1y79 s ARG 395 CO 0.30 0.49 -0.08 0.08 0.02 0.00 0.00 175.30 176.11 1y79 s VAL 396 N -1.69 0.77 0.04 3.52 1.01 -1.26 -1.10 120.40 121.69 1y79 s VAL 396 Ca 0.30 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.01 1y79 s VAL 396 Cb -0.10 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 1y79 s VAL 396 CO 0.22 0.25 -0.16 0.26 0.00 0.00 0.00 175.10 175.67 1y79 s TRP 397 N 0.40 1.44 -0.14 5.22 0.51 -0.38 0.33 118.94 126.32 1y79 s TRP 397 Ca -0.07 -0.36 -0.07 0.00 -2.12 0.00 0.00 56.10 53.48 1y79 s TRP 397 Cb -0.11 -0.85 -0.04 0.00 -0.81 0.00 0.00 33.47 31.66 1y79 s TRP 397 CO 0.01 0.06 0.11 -2.00 -0.51 0.00 0.00 176.95 174.62 1y79 s GLU 398 N -1.14 3.64 -0.17 4.98 2.12 0.28 -0.95 118.70 127.46 1y79 s GLU 398 Ca 0.04 -0.20 -0.07 0.00 0.36 0.00 0.00 54.97 55.09 1y79 s GLU 398 Cb -0.08 -3.21 -0.04 0.00 0.26 0.00 0.00 34.13 31.06 1y79 s GLU 398 CO 0.01 0.60 0.07 0.42 -0.54 0.00 0.00 175.26 175.83 1y79 s ILE 399 N -0.52 4.91 0.07 -3.70 1.01 0.15 -1.44 121.20 121.69 1y79 s ILE 399 Ca 0.12 0.00 0.09 0.00 0.00 0.00 0.00 60.65 60.86 1y79 s ILE 399 Cb -0.12 -3.20 -0.03 0.00 0.01 0.00 0.00 42.46 39.12 1y79 s ILE 399 CO 0.02 0.48 -0.22 -0.36 0.00 0.00 0.00 174.94 174.87 1y79 s PHE 400 N 0.13 2.46 0.96 3.97 0.40 0.44 -0.16 117.98 126.18 1y79 s PHE 400 Ca 0.06 -0.32 -0.14 0.00 -0.60 0.00 0.00 56.93 55.93 1y79 s PHE 400 Cb -0.12 -1.39 0.17 0.00 0.51 0.00 0.00 43.02 42.19 1y79 s PHE 400 CO 0.00 0.26 1.18 0.34 0.70 0.00 0.00 175.22 177.71 1y79 s ASP 401 N -1.64 3.13 0.46 1.36 -1.08 0.98 0.10 116.67 119.99 1y79 s ASP 401 Ca 0.14 0.72 0.13 0.00 -0.52 0.00 0.00 52.55 53.03 1y79 s ASP 401 Cb -0.10 -1.11 1.09 0.00 -1.46 0.00 0.00 42.92 41.34 1y79 s ASP 401 CO 0.06 -2.76 2.07 1.12 0.52 0.00 0.00 175.17 176.17 1y79 h HIS 402 N -1.65 0.27 -0.33 -5.34 2.07 -1.76 -0.39 115.15 108.02 1y79 h HIS 402 Ca -0.48 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 1y79 h HIS 402 Cb 1.30 -0.09 0.00 0.00 2.57 0.00 0.00 27.41 31.19 1y79 h HIS 402 CO -0.43 0.16 0.00 0.27 -3.07 0.00 0.00 177.93 174.85 1y79 n ASN 403 N -4.49 1.77 0.00 3.10 2.04 -1.26 -4.90 115.26 111.52 1y79 n ASN 403 Ca 0.03 -1.99 0.00 0.00 -0.44 0.00 0.00 54.58 52.17 1y79 n ASN 403 Cb 0.18 -0.22 0.00 0.00 -2.53 0.00 0.00 39.78 37.21 1y79 n ASN 403 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1y79 n GLY 404 N 1.03 0.93 3.71 4.83 0.00 -0.15 -5.01 105.19 110.52 1y79 n GLY 404 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1y79 n GLY 404 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y79 s VAL 405 N -3.71 4.73 0.00 1.61 1.01 -1.26 -4.70 120.40 118.09 1y79 s VAL 405 Ca 0.00 1.97 -0.30 0.00 0.00 0.00 0.00 61.98 63.65 1y79 s VAL 405 Cb 0.00 -4.27 -0.07 0.00 0.00 0.00 0.00 36.38 32.05 1y79 s VAL 405 CO 0.00 0.16 1.64 -0.83 0.00 0.00 0.00 175.10 176.08 1y79 s GLY 406 N 0.96 1.57 -0.19 4.51 0.00 -1.26 -0.01 107.32 112.90 1y79 s GLY 406 Ca 0.53 1.06 -0.10 0.00 0.00 0.00 0.00 44.72 46.20 1y79 s GLY 406 CO 0.28 2.95 0.12 1.04 0.00 0.00 0.00 173.10 177.49 1y79 n LEU 407 N 6.38 2.41 0.00 0.66 4.77 0.78 -4.90 117.00 127.10 1y79 n LEU 407 Ca 0.16 0.22 -0.03 0.00 -0.03 0.00 0.00 56.01 56.33 1y79 n LEU 407 Cb 0.42 -1.00 0.02 0.00 -2.33 0.00 0.00 43.42 40.53 1y79 n LEU 407 CO 0.62 0.68 0.82 0.00 -1.33 0.00 0.00 177.39 178.18 1y79 n ALA 408 N -3.32 -2.70 -3.00 -1.18 0.00 -1.14 -4.30 120.51 104.87 1y79 n ALA 408 Ca -0.38 -1.04 -0.32 0.00 0.00 0.00 0.00 53.44 51.71 1y79 n ALA 408 Cb 0.92 0.58 -0.17 0.00 0.00 0.00 0.00 19.45 20.79 1y79 n ALA 408 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1y79 s LEU 409 N 0.00 2.07 -0.11 0.00 2.96 -1.18 -0.67 118.68 121.76 1y79 s LEU 409 Ca 0.23 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.64 1y79 s LEU 409 Cb -0.03 -1.38 0.00 0.00 0.50 0.00 0.00 46.19 45.28 1y79 s LEU 409 CO 0.06 0.20 -0.23 0.12 -1.32 0.00 0.00 176.35 175.18 1y79 s PHE 410 N 0.11 2.54 -0.11 5.38 2.19 -0.13 -1.67 117.98 126.29 1y79 s PHE 410 Ca -0.12 -1.12 -0.02 0.00 0.33 0.00 0.00 56.93 56.00 1y79 s PHE 410 Cb -0.16 -1.71 -0.03 0.00 -1.31 0.00 0.00 43.02 39.81 1y79 s PHE 410 CO 0.06 -0.47 -0.03 0.71 1.83 0.00 0.00 175.22 177.32 1y79 s TYR 411 N 0.51 3.06 -0.15 10.12 1.51 0.54 -1.25 117.35 131.69 1y79 s TYR 411 Ca -0.15 -0.04 0.01 0.00 -1.01 0.00 0.00 57.07 55.88 1y79 s TYR 411 Cb -0.17 -1.85 0.02 0.00 -0.11 0.00 0.00 41.96 39.85 1y79 s TYR 411 CO 0.05 0.23 -0.16 0.20 -1.11 0.00 0.00 175.55 174.77 1y79 s GLY 412 N -0.33 1.19 -0.43 0.71 0.00 -0.26 -1.17 107.32 107.04 1y79 s GLY 412 Ca 0.06 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 43.82 1y79 s GLY 412 CO 0.02 0.45 0.22 -0.35 0.00 0.00 0.00 173.10 173.44 1y79 s ASP 413 N 1.41 3.80 0.01 1.64 3.68 -0.69 -1.20 116.67 125.32 1y79 s ASP 413 Ca 0.04 -2.54 0.22 0.00 2.13 0.00 0.00 52.55 52.41 1y79 s ASP 413 Cb -0.13 -1.10 -0.08 0.00 -1.45 0.00 0.00 42.92 40.16 1y79 s ASP 413 CO -0.11 -0.28 0.96 0.49 0.13 0.00 0.00 175.17 176.36 1y79 n PHE 414 N 3.67 0.04 -4.11 -5.34 3.01 -1.26 -0.87 117.46 112.60 1y79 n PHE 414 Ca 0.07 0.01 -0.32 0.00 1.01 0.00 0.00 57.45 58.22 1y79 n PHE 414 Cb 0.35 -0.16 -0.07 0.00 -0.01 0.00 0.00 39.48 39.59 1y79 n PHE 414 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1y79 s PHE 415 N -3.08 3.23 0.49 1.38 0.40 -1.24 -1.09 117.98 118.07 1y79 s PHE 415 Ca 0.06 0.15 -0.23 0.00 -0.60 0.00 0.00 56.93 56.31 1y79 s PHE 415 Cb 0.16 -1.70 -0.07 0.00 0.51 0.00 0.00 43.02 41.92 1y79 s PHE 415 CO 0.84 0.53 1.32 0.00 0.70 0.00 0.00 175.22 178.61 1y79 s ALA 416 N -1.23 3.00 0.06 5.36 0.00 0.73 -4.75 121.76 124.94 1y79 s ALA 416 Ca 0.24 1.27 -0.26 0.00 0.00 0.00 0.00 51.96 53.21 1y79 s ALA 416 Cb -0.12 -3.52 0.08 0.00 0.00 0.00 0.00 23.12 19.56 1y79 s ALA 416 CO 0.16 -1.11 0.73 -0.98 0.00 0.00 0.00 175.76 174.56 1y79 s ARG 417 N -2.67 1.06 0.56 0.00 1.70 -1.26 -4.74 118.95 113.60 1y79 s ARG 417 Ca 0.65 -0.30 0.25 0.00 -0.47 0.00 0.00 55.73 55.87 1y79 s ARG 417 Cb -0.38 0.49 1.53 0.00 -0.57 0.00 0.00 34.95 36.01 1y79 s ARG 417 CO 0.47 -0.45 2.09 -0.44 -1.08 0.00 0.00 175.30 175.90 1y79 h ASP 418 N 2.14 0.00 0.19 -2.89 5.19 -1.98 -1.59 116.42 117.47 1y79 h ASP 418 Ca -0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 1y79 h ASP 418 Cb 1.26 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.77 1y79 h ASP 418 CO 0.35 0.00 -0.12 -1.54 -3.12 0.00 0.00 179.24 174.81 1y79 n SER 419 N -4.09 0.90 -4.57 6.45 3.41 -1.26 -4.88 113.62 109.57 1y79 n SER 419 Ca 0.02 -0.95 -0.34 0.00 -0.26 0.00 0.00 58.87 57.34 1y79 n SER 419 Cb 0.33 0.02 -0.11 0.00 -0.26 0.00 0.00 64.21 64.20 1y79 n SER 419 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1y79 s LYS 420 N -2.33 3.48 0.88 4.33 2.20 -0.60 -1.59 119.74 126.12 1y79 s LYS 420 Ca 0.31 -0.46 -0.11 0.00 -0.36 0.00 0.00 55.97 55.35 1y79 s LYS 420 Cb 0.20 -2.91 0.12 0.00 -1.51 0.00 0.00 37.83 33.74 1y79 s LYS 420 CO 0.45 0.40 1.10 -1.12 -0.36 0.00 0.00 175.35 175.81 1y79 s SER 421 N -0.04 3.47 0.76 1.43 0.01 0.16 -4.71 113.70 114.78 1y79 s SER 421 Ca 0.03 1.80 -0.12 0.00 1.31 0.00 0.00 55.95 58.97 1y79 s SER 421 Cb -0.13 -2.41 0.05 0.00 0.21 0.00 0.00 66.02 63.74 1y79 s SER 421 CO 0.02 -2.69 1.13 -0.83 0.41 0.00 0.00 173.24 171.28 1y79 s GLY 422 N -3.13 1.61 0.00 3.44 0.00 -1.26 -4.91 107.32 103.07 1y79 s GLY 422 Ca 0.64 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.89 1y79 s GLY 422 CO 0.58 -0.04 0.00 0.61 0.00 0.00 0.00 173.10 174.25 1y79 n GLY 423 N -3.06 0.13 3.33 0.20 0.00 -1.26 -4.94 105.19 99.60 1y79 n GLY 423 Ca 0.07 -1.25 -0.15 0.00 0.00 0.00 0.00 46.02 44.69 1y79 n GLY 423 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y79 s ALA 424 N -1.64 -1.11 0.27 4.61 0.00 -1.26 -3.26 121.76 119.37 1y79 s ALA 424 Ca 0.00 0.72 -0.19 0.00 0.00 0.00 0.00 51.96 52.49 1y79 s ALA 424 Cb 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.10 1y79 s ALA 424 CO 0.00 -0.29 0.66 1.67 0.00 0.00 0.00 175.76 177.80 1y79 s TRP 425 N -1.13 -0.04 0.04 0.00 -2.14 -0.53 -5.00 118.94 110.15 1y79 s TRP 425 Ca -0.11 -0.40 0.04 0.00 2.66 0.00 0.00 56.10 58.29 1y79 s TRP 425 Cb -0.03 0.58 -0.02 0.00 -3.10 0.00 0.00 33.47 30.89 1y79 s TRP 425 CO 0.06 -1.19 -0.13 1.41 -2.66 0.00 0.00 176.95 174.44 1y79 s MET 426 N -3.90 0.82 0.35 3.25 -2.45 -1.26 -1.16 119.30 114.95 1y79 s MET 426 Ca 0.14 -0.76 -0.17 0.00 -1.25 0.00 0.00 55.69 53.65 1y79 s MET 426 Cb -0.05 -0.80 0.04 0.00 1.25 0.00 0.00 34.83 35.28 1y79 s MET 426 CO 0.08 0.19 0.76 0.20 1.05 0.00 0.00 175.02 177.30 1y79 s GLY 427 N -1.26 0.25 -0.03 2.11 0.00 -0.78 -5.01 107.32 102.60 1y79 s GLY 427 Ca -0.01 -0.63 0.07 0.00 0.00 0.00 0.00 44.72 44.15 1y79 s GLY 427 CO 0.01 -0.26 -0.25 -1.31 0.00 0.00 0.00 173.10 171.30 1y79 s ASN 428 N -3.03 2.92 0.11 1.64 0.01 -1.26 -1.08 114.94 114.25 1y79 s ASN 428 Ca 0.14 -0.46 0.14 0.00 -0.71 0.00 0.00 52.86 51.97 1y79 s ASN 428 Cb -0.05 -0.49 -0.11 0.00 0.41 0.00 0.00 41.25 41.00 1y79 s ASN 428 CO 0.10 0.28 1.03 -0.26 -1.51 0.00 0.00 177.10 176.74 1y79 h PHE 429 N 5.72 0.00 -2.21 2.20 0.04 0.01 -3.46 116.94 119.24 1y79 h PHE 429 Ca -0.39 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.36 1y79 h PHE 429 Cb 1.14 0.00 -0.23 0.00 2.20 0.00 0.00 35.95 39.06 1y79 h PHE 429 CO 0.40 0.70 -0.10 0.54 -0.60 0.00 0.00 178.31 179.26 1y79 s VAL 430 N -2.84 -0.09 0.65 -0.55 0.11 -1.20 -4.76 120.40 111.72 1y79 s VAL 430 Ca -0.01 0.03 -0.11 0.00 -2.93 0.00 0.00 61.98 58.97 1y79 s VAL 430 Cb 0.08 -0.87 -0.02 0.00 -1.53 0.00 0.00 36.38 34.05 1y79 s VAL 430 CO 0.80 0.01 1.05 -1.61 -3.33 0.00 0.00 175.10 172.02 1y79 s GLU 431 N 1.68 3.28 0.18 1.54 2.02 -1.26 -1.85 118.70 124.30 1y79 s GLU 431 Ca -0.09 0.61 -0.30 0.00 0.02 0.00 0.00 54.97 55.21 1y79 s GLU 431 Cb -0.07 -2.06 -0.07 0.00 0.10 0.00 0.00 34.13 32.03 1y79 s GLU 431 CO -0.18 -0.76 0.97 -1.14 0.02 0.00 0.00 175.26 174.18 1y79 s GLN 432 N -5.25 4.76 -0.30 1.61 -0.44 -1.26 -4.40 119.66 114.38 1y79 s GLN 432 Ca 0.56 1.50 -0.07 0.00 -2.50 0.00 0.00 55.36 54.85 1y79 s GLN 432 Cb -0.11 -3.32 0.19 0.00 -1.64 0.00 0.00 33.01 28.13 1y79 s GLN 432 CO 0.53 0.33 0.89 0.45 0.50 0.00 0.00 175.29 177.99 1y79 s SER 433 N -0.54 -0.80 0.24 6.67 0.15 -0.48 -4.24 113.70 114.69 1y79 s SER 433 Ca 0.45 0.30 -0.06 0.00 0.70 0.00 0.00 55.95 57.34 1y79 s SER 433 Cb -0.25 1.59 0.29 0.00 -1.71 0.00 0.00 66.02 65.95 1y79 s SER 433 CO 0.32 -0.15 1.88 0.71 1.20 0.00 0.00 173.24 177.20 1y79 h THR 434 N 5.33 1.13 0.00 6.45 1.35 -1.42 0.29 112.91 126.04 1y79 h THR 434 Ca -0.12 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1y79 h THR 434 Cb 1.17 -0.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 1y79 h THR 434 CO 0.01 0.20 0.00 -0.11 -0.25 0.00 0.00 175.52 175.37 1y79 n LEU 435 N -4.53 0.00 -0.20 3.87 7.94 -0.49 -1.10 117.00 122.49 1y79 n LEU 435 Ca 0.12 0.68 0.00 0.00 -1.11 0.00 0.00 56.01 55.70 1y79 n LEU 435 Cb 0.11 -0.18 0.00 0.00 0.53 0.00 0.00 43.42 43.88 1y79 n LEU 435 CO 0.34 -0.18 0.21 0.59 -1.11 0.00 0.00 177.39 177.24 1y79 n ASN 436 N -1.39 0.21 -3.76 1.96 3.02 -1.17 -4.87 115.26 109.26 1y79 n ASN 436 Ca 0.00 -1.06 -0.24 0.00 -0.03 0.00 0.00 54.58 53.24 1y79 n ASN 436 Cb 0.00 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 1y79 n ASN 436 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1y79 n LYS 437 N -0.21 -1.43 -3.84 3.52 3.00 0.88 -4.98 118.16 115.11 1y79 n LYS 437 Ca 0.00 0.75 -0.12 0.00 -0.00 0.00 0.00 58.31 58.94 1y79 n LYS 437 Cb 0.05 -2.57 -0.13 0.00 0.00 0.00 0.00 35.03 32.39 1y79 n LYS 437 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1y79 s THR 438 N -3.04 -0.00 0.61 3.15 -4.23 -0.32 -4.99 115.64 106.83 1y79 s THR 438 Ca 0.04 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.52 1y79 s THR 438 Cb -0.02 -0.15 0.04 0.00 1.34 0.00 0.00 72.50 73.71 1y79 s THR 438 CO 0.89 0.00 0.88 -1.00 -0.54 0.00 0.00 174.62 174.86 1y79 s HIS 439 N 0.07 2.97 0.22 3.99 3.76 -1.26 -1.39 115.29 123.65 1y79 s HIS 439 Ca -0.00 0.29 -0.27 0.00 -0.15 0.00 0.00 55.06 54.93 1y79 s HIS 439 Cb -0.01 -2.90 -0.09 0.00 1.11 0.00 0.00 32.58 30.70 1y79 s HIS 439 CO 0.00 -1.04 0.87 -2.14 -0.85 0.00 0.00 174.74 171.57 1y79 s PRO 440 N -4.98 4.70 -0.27 8.40 0.02 -1.26 -4.28 135.00 137.33 1y79 s PRO 440 Ca 0.57 1.32 0.00 0.00 0.02 0.00 0.00 61.00 62.91 1y79 s PRO 440 Cb -0.10 -3.22 0.08 0.00 0.02 0.00 0.00 34.50 31.27 1y79 s PRO 440 CO 0.42 0.52 0.02 0.08 -0.33 0.00 0.00 177.00 177.71 1y79 s VAL 441 N -1.22 1.27 0.08 3.83 1.01 -0.77 -3.09 120.40 121.52 1y79 s VAL 441 Ca 0.40 -1.34 0.06 0.00 0.00 0.00 0.00 61.98 61.09 1y79 s VAL 441 Cb -0.24 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1y79 s VAL 441 CO 0.29 -0.38 -0.06 -0.63 0.00 0.00 0.00 175.10 174.32 1y79 s ILE 442 N 1.47 3.62 0.08 2.22 1.01 -0.67 0.74 121.20 129.67 1y79 s ILE 442 Ca 0.02 -1.08 0.06 0.00 0.00 0.00 0.00 60.65 59.66 1y79 s ILE 442 Cb -0.18 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 1y79 s ILE 442 CO -0.13 0.18 -0.16 -0.72 0.00 0.00 0.00 174.94 174.11 1y79 s TYR 443 N -1.20 1.39 -0.07 3.97 1.13 -0.24 -0.34 117.35 122.00 1y79 s TYR 443 Ca 0.22 -0.45 0.03 0.00 -1.41 0.00 0.00 57.07 55.46 1y79 s TYR 443 Cb -0.11 -0.77 0.01 0.00 -1.10 0.00 0.00 41.96 39.98 1y79 s TYR 443 CO 0.14 0.11 -0.16 -0.80 -2.51 0.00 0.00 175.55 172.32 1y79 s ASN 444 N -1.83 2.20 -0.10 -0.18 0.02 -0.32 -1.86 114.94 112.87 1y79 s ASN 444 Ca 0.01 -0.38 0.02 0.00 -1.02 0.00 0.00 52.86 51.50 1y79 s ASN 444 Cb -0.10 -0.91 0.01 0.00 0.02 0.00 0.00 41.25 40.27 1y79 s ASN 444 CO 0.03 0.10 -0.17 -0.69 0.02 0.00 0.00 177.10 176.38 1y79 s VAL 445 N 0.42 1.58 0.45 1.60 1.01 -0.31 -1.70 120.40 123.46 1y79 s VAL 445 Ca -0.13 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1y79 s VAL 445 Cb -0.15 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 1y79 s VAL 445 CO 0.05 0.46 0.06 0.00 0.00 0.00 0.00 175.10 175.66 1y79 n ASN 447 N -1.23 3.69 -4.76 0.00 4.13 -1.19 -3.72 115.26 112.17 1y79 n ASN 447 Ca -0.12 -3.20 -0.31 0.00 1.68 0.00 0.00 54.58 52.63 1y79 n ASN 447 Cb 0.66 -0.42 0.10 0.00 -1.54 0.00 0.00 39.78 38.58 1y79 n ASN 447 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1y79 s TYR 448 N -3.59 2.59 -0.10 3.10 2.02 -0.25 -4.06 117.35 117.07 1y79 s TYR 448 Ca 0.42 1.42 -0.28 0.00 -0.37 0.00 0.00 57.07 58.26 1y79 s TYR 448 Cb 0.39 -3.06 -0.02 0.00 -0.40 0.00 0.00 41.96 38.87 1y79 s TYR 448 CO -0.02 -1.89 0.93 -1.14 -1.57 0.00 0.00 175.55 171.86 1y79 s GLN 449 N -4.95 4.42 0.12 -0.62 0.74 -1.26 -0.19 119.66 117.91 1y79 s GLN 449 Ca 0.61 1.26 -0.31 0.00 0.05 0.00 0.00 55.36 56.97 1y79 s GLN 449 Cb -0.17 -3.53 -0.08 0.00 1.10 0.00 0.00 33.01 30.34 1y79 s GLN 449 CO 0.56 -0.24 1.32 0.21 -0.55 0.00 0.00 175.29 176.59 1y79 s LYS 450 N 1.77 4.37 0.97 1.67 2.20 -1.26 -4.86 119.74 124.59 1y79 s LYS 450 Ca 0.45 1.99 -0.14 0.00 -0.36 0.00 0.00 55.97 57.91 1y79 s LYS 450 Cb -0.18 -3.26 0.17 0.00 -1.51 0.00 0.00 37.83 33.05 1y79 s LYS 450 CO 0.18 -0.34 1.16 -1.25 -0.36 0.00 0.00 175.35 174.74 1y79 s PRO 451 N 0.81 0.67 0.64 4.03 0.04 -1.26 -5.03 135.00 134.89 1y79 s PRO 451 Ca 0.61 0.12 -0.14 0.00 0.04 0.00 0.00 61.00 61.64 1y79 s PRO 451 Cb -0.35 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 1y79 s PRO 451 CO 0.32 -2.49 1.06 0.00 0.04 0.00 0.00 177.00 175.93 1y79 s ALA 452 N -3.33 2.69 0.05 8.56 0.00 -1.26 -4.92 121.76 123.55 1y79 s ALA 452 Ca 0.67 0.28 -0.34 0.00 0.00 0.00 0.00 51.96 52.56 1y79 s ALA 452 Cb -0.12 -3.21 -0.13 0.00 0.00 0.00 0.00 23.12 19.65 1y79 s ALA 452 CO 0.54 -1.02 1.67 0.00 0.00 0.00 0.00 175.76 176.94 1y79 n ALA 453 N -2.52 0.93 -0.32 0.00 0.00 -1.26 -1.15 120.51 116.19 1y79 n ALA 453 Ca 0.08 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1y79 n ALA 453 Cb 0.53 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1y79 n ALA 453 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y79 n GLY 454 N 3.70 1.41 3.77 0.00 0.00 -1.26 -5.04 105.19 107.77 1y79 n GLY 454 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1y79 n GLY 454 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y79 s GLU 455 N -0.35 2.89 0.56 1.61 0.41 -0.30 -5.10 118.70 118.42 1y79 s GLU 455 Ca 0.00 -0.66 -0.19 0.00 -0.41 0.00 0.00 54.97 53.70 1y79 s GLU 455 Cb 0.00 -2.74 -0.05 0.00 -1.78 0.00 0.00 34.13 29.56 1y79 s GLU 455 CO 0.00 0.58 1.16 -1.25 -0.49 0.00 0.00 175.26 175.26 1y79 s PRO 456 N -2.26 3.24 -0.79 0.39 0.04 -1.26 -4.62 135.00 129.74 1y79 s PRO 456 Ca 0.28 1.71 -0.23 0.00 0.04 0.00 0.00 61.00 62.81 1y79 s PRO 456 Cb -0.12 -2.01 0.07 0.00 0.04 0.00 0.00 34.50 32.48 1y79 s PRO 456 CO 0.20 -0.96 1.13 0.00 0.04 0.00 0.00 177.00 177.41 1y79 s ALA 457 N -1.68 3.04 0.06 8.56 0.00 -1.26 -4.76 121.76 125.71 1y79 s ALA 457 Ca 0.74 -2.02 -0.16 0.00 0.00 0.00 0.00 51.96 50.52 1y79 s ALA 457 Cb -0.27 -4.08 -0.06 0.00 0.00 0.00 0.00 23.12 18.71 1y79 s ALA 457 CO 0.30 -3.05 0.49 -0.51 0.00 0.00 0.00 175.76 172.99 1y79 s LEU 458 N 4.21 4.46 0.14 0.00 1.43 -1.26 -0.83 118.68 126.84 1y79 s LEU 458 Ca 0.30 1.08 0.05 0.00 -1.03 0.00 0.00 54.13 54.53 1y79 s LEU 458 Cb -0.10 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.25 1y79 s LEU 458 CO 0.04 0.26 0.09 -0.76 0.23 0.00 0.00 176.35 176.21 1y79 s LEU 459 N -1.29 3.70 0.52 1.79 1.43 0.11 -4.90 118.68 120.04 1y79 s LEU 459 Ca 0.28 -0.14 -0.09 0.00 -1.03 0.00 0.00 54.13 53.15 1y79 s LEU 459 Cb -0.17 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 1y79 s LEU 459 CO 0.17 0.11 0.88 -0.76 0.23 0.00 0.00 176.35 176.98 1y79 s LEU 460 N -2.83 3.52 0.43 1.79 1.43 -1.26 -4.72 118.68 117.03 1y79 s LEU 460 Ca 0.30 1.18 0.10 0.00 -1.03 0.00 0.00 54.13 54.68 1y79 s LEU 460 Cb -0.11 -4.16 0.95 0.00 0.03 0.00 0.00 46.19 42.91 1y79 s LEU 460 CO 0.22 -0.65 2.04 -0.25 0.23 0.00 0.00 176.35 177.93 1y79 h TRP 461 N 0.24 0.45 -0.59 0.29 2.91 -1.98 -0.59 115.95 116.67 1y79 h TRP 461 Ca -0.46 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 59.55 1y79 h TRP 461 Cb 1.20 -0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 29.67 1y79 h TRP 461 CO 0.62 0.26 0.26 -0.44 -1.03 0.00 0.00 178.44 178.11 1y79 h ASP 462 N 0.47 0.76 -0.02 2.65 3.32 -2.00 -1.92 116.42 119.67 1y79 h ASP 462 Ca 0.18 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 57.06 1y79 h ASP 462 Cb 0.14 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1y79 h ASP 462 CO -0.04 0.66 -0.23 0.44 -1.72 0.00 0.00 179.24 178.35 1y79 h ASP 463 N 0.84 0.42 -0.18 6.45 3.32 -1.49 -1.31 116.42 124.48 1y79 h ASP 463 Ca 0.20 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1y79 h ASP 463 Cb 0.12 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1y79 h ASP 463 CO -0.02 0.66 0.03 0.58 -1.72 0.00 0.00 179.24 178.77 1y79 h VAL 464 N 0.38 1.22 -0.76 -1.35 2.07 -0.96 -0.94 116.25 115.91 1y79 h VAL 464 Ca 0.06 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1y79 h VAL 464 Cb 0.62 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 1y79 h VAL 464 CO 0.04 0.21 0.42 0.40 0.02 0.00 0.00 177.57 178.66 1y79 h ILE 465 N 0.09 1.23 -0.82 4.57 1.08 -1.25 -2.06 117.51 120.33 1y79 h ILE 465 Ca 0.05 -0.56 0.04 0.00 -0.39 0.00 0.00 64.86 64.00 1y79 h ILE 465 Cb 0.30 0.22 -0.05 0.00 -3.07 0.00 0.00 36.82 34.22 1y79 h ILE 465 CO 0.00 0.25 0.52 0.74 -0.69 0.00 0.00 178.15 178.98 1y79 h THR 466 N 1.04 1.10 -0.37 -0.27 2.02 -1.03 0.99 112.91 116.39 1y79 h THR 466 Ca 0.27 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 1y79 h THR 466 Cb 0.03 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.44 1y79 h THR 466 CO -0.04 0.18 0.19 0.25 0.37 0.00 0.00 175.52 176.47 1y79 h LEU 467 N 1.00 0.48 -0.96 2.58 5.85 -0.63 -0.58 115.31 123.05 1y79 h LEU 467 Ca 0.34 -0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.83 1y79 h LEU 467 Cb 0.06 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1y79 h LEU 467 CO -0.13 0.46 -0.48 -0.26 -0.34 0.00 0.00 178.44 177.70 1y79 h PHE 468 N 0.47 0.11 0.14 1.25 -1.00 -0.96 -2.23 116.94 114.72 1y79 h PHE 468 Ca 0.13 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.87 1y79 h PHE 468 Cb 0.10 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.64 1y79 h PHE 468 CO -0.02 0.55 -0.07 1.25 -1.61 0.00 0.00 178.31 178.42 1y79 h HIS 469 N 0.08 -0.18 -0.49 -0.55 2.76 -0.28 -0.78 115.15 115.70 1y79 h HIS 469 Ca 0.00 -0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.09 1y79 h HIS 469 Cb 0.87 0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.87 1y79 h HIS 469 CO 0.01 0.05 -0.03 0.93 -1.30 0.00 0.00 177.93 177.59 1y79 h GLU 470 N -0.38 0.84 0.00 5.26 4.39 -1.12 -1.53 114.58 122.04 1y79 h GLU 470 Ca -0.02 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1y79 h GLU 470 Cb 0.30 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1y79 h GLU 470 CO 0.03 0.86 0.00 0.35 -1.16 0.00 0.00 179.01 179.09 1y79 h PHE 471 N 0.78 0.00 -0.59 4.33 3.57 -1.32 0.26 116.94 123.97 1y79 h PHE 471 Ca 0.14 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 1y79 h PHE 471 Cb 0.50 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 1y79 h PHE 471 CO 0.03 0.00 0.00 0.78 -2.23 0.00 0.00 178.31 176.89 1y79 h GLY 472 N 2.13 1.11 0.69 2.40 0.00 -0.08 0.13 103.07 109.43 1y79 h GLY 472 Ca 0.00 -0.80 -0.02 0.00 0.00 0.00 0.00 47.33 46.51 1y79 h GLY 472 CO 0.00 0.73 -0.02 0.45 0.00 0.00 0.00 176.54 177.70 1y79 h HIS 473 N 0.94 0.17 -0.71 5.60 3.86 -1.10 -2.18 115.15 121.74 1y79 h HIS 473 Ca 0.17 -0.04 0.15 0.00 -1.16 0.00 0.00 60.37 59.49 1y79 h HIS 473 Cb 0.54 -0.04 -0.10 0.00 1.06 0.00 0.00 27.41 28.86 1y79 h HIS 473 CO 0.04 0.49 0.19 1.15 0.86 0.00 0.00 177.93 180.66 1y79 h THR 474 N -0.19 0.57 -0.48 2.45 2.02 -0.51 -0.45 112.91 116.31 1y79 h THR 474 Ca 0.02 -0.10 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 1y79 h THR 474 Cb 0.44 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1y79 h THR 474 CO 0.01 0.06 0.08 -0.07 0.37 0.00 0.00 175.52 175.96 1y79 h LEU 475 N 0.30 0.71 -1.14 2.58 3.38 -0.57 0.24 115.31 120.80 1y79 h LEU 475 Ca 0.39 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.17 1y79 h LEU 475 Cb 0.64 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1y79 h LEU 475 CO -0.47 0.72 -0.04 -0.74 0.09 0.00 0.00 178.44 178.00 1y79 h HIS 476 N 0.72 0.58 0.00 1.13 2.76 -0.49 -2.86 115.15 116.99 1y79 h HIS 476 Ca 0.16 -0.07 -0.23 0.00 -2.20 0.00 0.00 60.37 58.02 1y79 h HIS 476 Cb 0.32 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 29.08 1y79 h HIS 476 CO 0.02 0.59 -1.34 0.78 -1.30 0.00 0.00 177.93 176.68 1y79 h GLY 477 N 0.89 0.00 1.47 5.26 0.00 -0.52 -3.37 103.07 106.79 1y79 h GLY 477 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.35 1y79 h GLY 477 CO 0.02 0.00 -0.16 -2.00 0.00 0.00 0.00 176.54 174.40 1y79 h LEU 478 N 0.00 0.62 -2.32 3.11 5.85 -0.35 -3.15 115.31 119.07 1y79 h LEU 478 Ca -0.16 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1y79 h LEU 478 Cb 1.83 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.69 1y79 h LEU 478 CO 0.09 0.80 0.00 0.49 -0.34 0.00 0.00 178.44 179.48 1y79 n PHE 479 N -4.16 0.78 -1.74 1.25 3.72 -1.10 -4.91 117.46 111.31 1y79 n PHE 479 Ca 0.01 -0.39 -0.42 0.00 -0.05 0.00 0.00 57.45 56.60 1y79 n PHE 479 Cb 0.37 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.88 1y79 n PHE 479 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1y79 s ALA 480 N -1.22 3.93 -0.40 4.37 0.00 -1.19 -3.91 121.76 123.34 1y79 s ALA 480 Ca 0.42 1.59 0.11 0.00 0.00 0.00 0.00 51.96 54.08 1y79 s ALA 480 Cb 0.22 -3.69 0.43 0.00 0.00 0.00 0.00 23.12 20.08 1y79 s ALA 480 CO 0.30 -0.92 1.00 0.54 0.00 0.00 0.00 175.76 176.68 1y79 n ARG 481 N 3.89 2.28 -3.79 0.00 1.74 -1.02 -4.92 116.66 114.83 1y79 n ARG 481 Ca 0.15 -3.93 -0.31 0.00 -0.77 0.00 0.00 57.85 53.00 1y79 n ARG 481 Cb 0.35 -1.79 -0.04 0.00 -1.02 0.00 0.00 32.46 29.96 1y79 n ARG 481 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1y79 s GLN 482 N -3.28 3.53 0.10 5.56 1.11 -1.26 -4.99 119.66 120.43 1y79 s GLN 482 Ca 0.39 -0.27 -0.08 0.00 0.01 0.00 0.00 55.36 55.41 1y79 s GLN 482 Cb 0.41 -2.94 -0.19 0.00 -1.01 0.00 0.00 33.01 29.29 1y79 s GLN 482 CO -0.08 0.53 1.22 0.00 0.01 0.00 0.00 175.29 176.97 1y79 h ARG 483 N 2.91 0.48 -5.46 2.91 3.08 -1.94 -2.32 114.38 114.05 1y79 h ARG 483 Ca -0.46 -0.58 -0.63 0.00 0.07 0.00 0.00 59.98 58.38 1y79 h ARG 483 Cb 1.16 0.18 -0.11 0.00 0.08 0.00 0.00 29.97 31.29 1y79 h ARG 483 CO 0.74 1.22 -0.50 0.71 -1.07 0.00 0.00 179.97 181.07 1y79 s TYR 484 N -3.12 3.45 0.11 3.04 1.51 -1.26 -1.39 117.35 119.69 1y79 s TYR 484 Ca -0.07 0.37 -0.20 0.00 -1.01 0.00 0.00 57.07 56.15 1y79 s TYR 484 Cb 0.08 -2.04 -0.09 0.00 -0.11 0.00 0.00 41.96 39.80 1y79 s TYR 484 CO 0.89 0.46 1.77 0.00 -1.11 0.00 0.00 175.55 177.56 1y79 h ALA 485 N 5.92 0.19 -0.93 3.71 0.00 -1.86 -2.52 119.26 123.76 1y79 h ALA 485 Ca -0.47 -0.01 0.27 0.00 0.00 0.00 0.00 54.91 54.71 1y79 h ALA 485 Cb 1.19 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1y79 h ALA 485 CO 0.67 -0.33 0.92 1.15 0.00 0.00 0.00 179.25 181.65 1y79 h THR 486 N 0.20 0.19 -0.17 0.00 2.02 -1.94 0.32 112.91 113.54 1y79 h THR 486 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.24 1y79 h THR 486 Cb -0.02 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 1y79 h THR 486 CO -0.02 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.05 1y79 n LEU 487 N -3.61 2.36 -4.90 2.58 4.77 -0.97 -4.87 117.00 112.36 1y79 n LEU 487 Ca 0.20 -1.53 -0.28 0.00 -0.03 0.00 0.00 56.01 54.37 1y79 n LEU 487 Cb 1.22 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 42.19 1y79 n LEU 487 CO 0.29 0.54 0.42 -0.55 -1.33 0.00 0.00 177.39 176.77 1y79 s SER 488 N -0.92 6.37 1.16 -1.43 0.15 0.11 -0.71 113.70 118.43 1y79 s SER 488 Ca 0.16 0.98 0.00 0.00 0.70 0.00 0.00 55.95 57.79 1y79 s SER 488 Cb 0.10 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.14 1y79 s SER 488 CO 0.13 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1y79 n GLY 489 N -1.82 3.34 0.54 9.45 0.00 -1.26 -1.71 105.19 113.72 1y79 n GLY 489 Ca 0.01 0.25 0.05 0.00 0.00 0.00 0.00 46.02 46.33 1y79 n GLY 489 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1y79 n THR 490 N 0.00 0.37 -0.97 2.61 -2.24 -1.26 -4.22 114.28 108.57 1y79 n THR 490 Ca 0.00 -0.39 -0.24 0.00 -2.27 0.00 0.00 64.05 61.15 1y79 n THR 490 Cb 0.00 0.21 -0.06 0.00 -2.10 0.00 0.00 70.33 68.38 1y79 n THR 490 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1y79 n ASN 491 N 0.35 6.13 -4.56 3.42 3.02 -0.69 -4.81 115.26 118.11 1y79 n ASN 491 Ca 0.11 -2.40 -0.26 0.00 -0.03 0.00 0.00 54.58 52.00 1y79 n ASN 491 Cb 0.25 -1.28 -0.11 0.00 -0.61 0.00 0.00 39.78 38.04 1y79 n ASN 491 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1y79 s THR 492 N 2.35 2.06 0.72 3.41 -4.23 -1.26 -4.38 115.64 114.30 1y79 s THR 492 Ca 0.55 -2.12 -0.16 0.00 -1.18 0.00 0.00 61.69 58.78 1y79 s THR 492 Cb 0.18 -2.77 0.03 0.00 1.34 0.00 0.00 72.50 71.28 1y79 s THR 492 CO -0.03 -0.13 1.22 -2.65 -0.54 0.00 0.00 174.62 172.48 1y79 n PRO 493 N -0.84 0.70 -0.27 3.99 -0.02 -1.26 -4.61 135.00 132.69 1y79 n PRO 493 Ca -0.05 0.30 0.03 0.00 -2.02 0.00 0.00 63.50 61.76 1y79 n PRO 493 Cb 0.65 -2.45 0.16 0.00 -0.02 0.00 0.00 33.50 31.84 1y79 n PRO 493 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y79 h ARG 494 N -0.09 0.65 -0.99 -0.52 3.08 -1.95 0.16 114.38 114.72 1y79 h ARG 494 Ca -0.49 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.51 1y79 h ARG 494 Cb 1.33 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 1y79 h ARG 494 CO 0.50 0.43 0.01 -0.40 -1.07 0.00 0.00 179.97 179.44 1y79 n ASP 495 N -4.82 1.91 0.00 7.04 5.68 -1.26 -2.76 116.55 122.34 1y79 n ASP 495 Ca 0.13 -2.05 0.00 0.00 -0.50 0.00 0.00 54.79 52.37 1y79 n ASP 495 Cb 0.30 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 39.77 1y79 n ASP 495 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1y79 n PHE 496 N 0.18 0.00 0.15 2.11 -0.00 -0.28 -4.67 117.46 114.96 1y79 n PHE 496 Ca 0.02 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.59 1y79 n PHE 496 Cb 0.39 0.04 0.65 0.00 -0.00 0.00 0.00 39.48 40.56 1y79 n PHE 496 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.76 176.52 1y79 h VAL 497 N 0.00 0.90 -0.04 -2.13 3.04 -0.57 0.16 116.25 117.61 1y79 h VAL 497 Ca 0.00 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1y79 h VAL 497 Cb 0.43 0.88 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 1y79 h VAL 497 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.57 175.94 1y79 n GLU 498 N -4.48 1.21 -0.07 4.17 -0.58 -1.17 -3.75 120.64 115.98 1y79 n GLU 498 Ca 0.02 -0.32 -0.11 0.00 -0.42 0.00 0.00 57.16 56.33 1y79 n GLU 498 Cb 0.29 -1.34 -0.09 0.00 -0.57 0.00 0.00 31.44 29.73 1y79 n GLU 498 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1y79 h PHE 499 N 0.66 0.00 0.00 -0.32 3.57 -1.22 -2.73 116.94 116.90 1y79 h PHE 499 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1y79 h PHE 499 Cb 0.14 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 1y79 h PHE 499 CO 0.03 0.76 -0.07 -1.35 -2.23 0.00 0.00 178.31 175.45 1y79 h PRO 500 N -1.00 0.00 -0.00 6.41 0.11 -1.69 -1.01 132.00 134.82 1y79 h PRO 500 Ca -0.02 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1y79 h PRO 500 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1y79 h PRO 500 CO -0.01 0.07 -0.01 0.66 -0.21 0.00 0.00 178.00 178.49 1y79 h SER 501 N 0.00 0.02 1.15 -2.05 4.64 -1.68 -3.16 113.55 112.46 1y79 h SER 501 Ca -0.00 -0.58 -0.05 0.00 -0.47 0.00 0.00 61.79 60.68 1y79 h SER 501 Cb 0.13 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1y79 h SER 501 CO 0.01 0.60 -0.26 1.56 -0.87 0.00 0.00 176.83 177.87 1y79 h GLN 502 N -0.56 0.00 -0.21 4.77 4.20 -1.20 -2.86 115.11 119.25 1y79 h GLN 502 Ca 0.00 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.57 1y79 h GLN 502 Cb 0.60 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1y79 h GLN 502 CO 0.00 0.26 -0.44 0.97 -0.67 0.00 0.00 178.83 178.95 1y79 h ILE 503 N 0.00 1.31 -0.12 2.54 2.10 -1.28 -2.83 117.51 119.22 1y79 h ILE 503 Ca -0.00 -1.62 -0.01 0.00 1.08 0.00 0.00 64.86 64.31 1y79 h ILE 503 Cb 0.90 1.62 -0.01 0.00 -1.09 0.00 0.00 36.82 38.25 1y79 h ILE 503 CO 0.03 0.51 0.05 -1.13 -1.08 0.00 0.00 178.15 176.53 1y79 h ASN 504 N 0.43 0.15 -0.00 2.19 -0.00 -1.47 -1.66 115.58 115.21 1y79 h ASN 504 Ca 0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.32 1y79 h ASN 504 Cb 0.94 -0.04 -0.00 0.00 -0.00 0.00 0.00 38.32 39.22 1y79 h ASN 504 CO 0.08 0.14 0.00 -0.33 -0.00 0.00 0.00 177.43 177.32 1y79 h GLU 505 N 0.17 0.00 -0.65 6.67 5.08 -1.43 -2.38 114.58 122.04 1y79 h GLU 505 Ca 0.04 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1y79 h GLU 505 Cb 0.04 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1y79 h GLU 505 CO -0.01 0.00 0.43 0.45 -1.00 0.00 0.00 179.01 178.88 1y79 h HIS 506 N 0.00 0.71 0.00 4.33 3.86 -1.39 -1.42 115.15 121.24 1y79 h HIS 506 Ca 0.00 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1y79 h HIS 506 Cb 0.01 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.24 1y79 h HIS 506 CO 0.00 0.40 -0.03 -1.49 0.86 0.00 0.00 177.93 177.68 1y79 h TRP 507 N 0.73 0.00 0.00 2.45 4.06 -1.58 -1.28 115.95 120.33 1y79 h TRP 507 Ca 0.26 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.21 1y79 h TRP 507 Cb 0.14 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.30 1y79 h TRP 507 CO -0.00 0.03 -0.01 0.00 -3.56 0.00 0.00 178.44 174.89 1y79 h ALA 508 N 1.97 1.67 -0.27 1.49 0.00 -1.40 -1.91 119.26 120.81 1y79 h ALA 508 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1y79 h ALA 508 Cb 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1y79 h ALA 508 CO 0.00 0.02 0.00 0.25 0.00 0.00 0.00 179.25 179.52 1y79 n THR 509 N -4.07 0.77 -1.89 0.00 -2.24 -0.50 -4.38 114.28 101.97 1y79 n THR 509 Ca -0.03 -0.89 -0.42 0.00 -2.27 0.00 0.00 64.05 60.45 1y79 n THR 509 Cb 0.10 0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 68.97 1y79 n THR 509 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1y79 s HIS 510 N -0.98 3.03 0.29 4.78 5.04 -0.72 -4.84 115.29 121.89 1y79 s HIS 510 Ca 0.21 0.59 -0.01 0.00 -1.54 0.00 0.00 55.06 54.30 1y79 s HIS 510 Cb 0.11 -3.97 0.65 0.00 0.04 0.00 0.00 32.58 29.42 1y79 s HIS 510 CO 0.15 -3.57 1.58 -1.35 -2.34 0.00 0.00 174.74 169.21 1y79 h PRO 511 N 6.70 0.03 0.03 2.88 0.11 -1.93 -0.21 132.00 139.60 1y79 h PRO 511 Ca -0.43 -0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.41 1y79 h PRO 511 Cb 1.20 -0.01 0.02 0.00 0.11 0.00 0.00 31.00 32.33 1y79 h PRO 511 CO 0.92 0.02 -1.08 1.96 -0.21 0.00 0.00 178.00 179.60 1y79 h GLN 512 N 0.03 0.64 0.10 1.05 7.50 -1.94 -2.07 115.11 120.42 1y79 h GLN 512 Ca 0.55 -0.73 -0.01 0.00 0.50 0.00 0.00 58.65 58.97 1y79 h GLN 512 Cb 1.07 0.22 0.00 0.00 0.05 0.00 0.00 27.48 28.81 1y79 h GLN 512 CO -0.89 1.31 -0.05 0.28 -1.50 0.00 0.00 178.83 177.98 1y79 h VAL 513 N 0.34 1.02 -0.37 -0.54 2.07 -1.66 -1.57 116.25 115.55 1y79 h VAL 513 Ca -0.14 -0.47 0.06 0.00 0.82 0.00 0.00 66.70 66.98 1y79 h VAL 513 Cb 1.74 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 32.77 1y79 h VAL 513 CO 0.21 0.11 0.02 0.15 0.02 0.00 0.00 177.57 178.09 1y79 h PHE 514 N -0.35 0.03 -0.77 1.57 3.57 -1.12 0.02 116.94 119.88 1y79 h PHE 514 Ca -0.01 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.61 1y79 h PHE 514 Cb 0.29 0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.00 1y79 h PHE 514 CO -0.00 -0.04 0.41 0.00 -2.23 0.00 0.00 178.31 176.45 1y79 h ALA 515 N 1.31 1.09 -0.07 2.41 0.00 -1.27 -0.55 119.26 122.18 1y79 h ALA 515 Ca 0.18 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1y79 h ALA 515 Cb 0.24 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1y79 h ALA 515 CO -0.28 0.02 0.04 -0.09 0.00 0.00 0.00 179.25 178.94 1y79 h ARG 516 N 0.69 0.09 0.00 0.00 9.65 0.02 -3.35 114.38 121.49 1y79 h ARG 516 Ca 0.38 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.25 1y79 h ARG 516 Cb 0.39 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 1y79 h ARG 516 CO -0.26 0.10 -1.50 2.48 2.80 0.00 0.00 179.97 183.58 1y79 n TYR 517 N -5.02 0.41 -1.93 2.20 4.11 -0.64 -4.63 117.16 111.67 1y79 n TYR 517 Ca -0.06 0.12 -0.42 0.00 -0.00 0.00 0.00 57.90 57.54 1y79 n TYR 517 Cb 0.05 -0.67 -0.00 0.00 -0.00 0.00 0.00 39.34 38.71 1y79 n TYR 517 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1y79 n ALA 518 N -2.18 4.95 -2.54 -3.48 0.00 -0.23 -4.51 120.51 112.53 1y79 n ALA 518 Ca -0.02 -3.85 -0.33 0.00 0.00 0.00 0.00 53.44 49.24 1y79 n ALA 518 Cb 0.55 -3.56 -0.13 0.00 0.00 0.00 0.00 19.45 16.31 1y79 n ALA 518 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1y79 s ARG 519 N 3.54 2.61 0.25 0.00 1.81 -1.08 -2.35 118.95 123.73 1y79 s ARG 519 Ca 0.49 -0.66 -0.31 0.00 -1.72 0.00 0.00 55.73 53.54 1y79 s ARG 519 Cb 0.11 -2.44 -0.11 0.00 -0.45 0.00 0.00 34.95 32.06 1y79 s ARG 519 CO -0.04 0.61 1.56 -1.58 -0.68 0.00 0.00 175.30 175.17 1y79 s HIS 520 N -0.69 2.90 0.47 -0.53 5.65 0.05 -4.28 115.29 118.86 1y79 s HIS 520 Ca 0.10 0.76 0.20 0.00 0.25 0.00 0.00 55.06 56.38 1y79 s HIS 520 Cb -0.11 -3.98 1.25 0.00 -1.18 0.00 0.00 32.58 28.56 1y79 s HIS 520 CO 0.01 -3.40 2.07 0.10 -0.65 0.00 0.00 174.74 172.87 1y79 h TYR 521 N 5.51 0.00 0.17 3.88 -0.00 -1.59 0.21 116.97 125.15 1y79 h TYR 521 Ca -0.45 0.00 -0.32 0.00 -0.00 0.00 0.00 58.73 57.95 1y79 h TYR 521 Cb 1.21 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 37.95 1y79 h TYR 521 CO 0.61 0.12 -1.59 0.37 -0.00 0.00 0.00 178.16 177.67 1y79 h GLN 522 N 0.00 0.37 0.00 0.10 4.15 -1.90 -3.42 115.11 114.41 1y79 h GLN 522 Ca -0.00 -0.62 -0.00 0.00 0.77 0.00 0.00 58.65 58.79 1y79 h GLN 522 Cb 0.24 0.23 -0.00 0.00 0.21 0.00 0.00 27.48 28.17 1y79 h GLN 522 CO 0.02 1.30 -1.33 -1.13 -1.93 0.00 0.00 178.83 175.75 1y79 n SER 523 N -3.72 3.34 0.00 -0.69 3.41 -1.21 -5.00 113.62 109.74 1y79 n SER 523 Ca -0.24 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 1y79 n SER 523 Cb 1.02 1.32 0.00 0.00 -0.26 0.00 0.00 64.21 66.29 1y79 n SER 523 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y79 n GLY 524 N 2.10 1.23 3.76 5.00 0.00 0.73 -4.97 105.19 113.04 1y79 n GLY 524 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 1y79 n GLY 524 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y79 s ALA 525 N -3.19 3.18 0.61 4.61 0.00 -1.26 -4.39 121.76 121.32 1y79 s ALA 525 Ca 0.00 1.34 -0.19 0.00 0.00 0.00 0.00 51.96 53.11 1y79 s ALA 525 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 1y79 s ALA 525 CO 0.00 -1.06 1.27 0.00 0.00 0.00 0.00 175.76 175.97 1y79 s ALA 526 N -1.25 2.51 0.25 0.00 0.00 -1.26 -0.77 121.76 121.24 1y79 s ALA 526 Ca 0.61 1.16 -0.30 0.00 0.00 0.00 0.00 51.96 53.43 1y79 s ALA 526 Cb -0.41 -3.52 -0.10 0.00 0.00 0.00 0.00 23.12 19.10 1y79 s ALA 526 CO 0.52 -1.39 1.46 1.41 0.00 0.00 0.00 175.76 177.76 1y79 s MET 527 N -3.28 4.25 0.35 0.00 1.75 -0.99 -4.82 119.30 116.56 1y79 s MET 527 Ca 0.79 2.34 -0.28 0.00 -1.25 0.00 0.00 55.69 57.29 1y79 s MET 527 Cb -0.35 -3.10 -0.12 0.00 2.84 0.00 0.00 34.83 34.10 1y79 s MET 527 CO 0.38 -0.45 1.26 -2.30 -0.65 0.00 0.00 175.02 173.26 1y79 n PRO 528 N 2.36 2.02 -0.33 4.11 -0.02 -1.26 -4.79 135.00 137.10 1y79 n PRO 528 Ca 0.07 0.71 0.15 0.00 -2.02 0.00 0.00 63.50 62.41 1y79 n PRO 528 Cb 0.40 -2.29 0.38 0.00 -0.02 0.00 0.00 33.50 31.97 1y79 n PRO 528 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1y79 h ASP 529 N 2.42 0.67 -0.51 2.55 3.45 -1.99 -0.42 116.42 122.59 1y79 h ASP 529 Ca -0.46 0.08 0.03 0.00 0.43 0.00 0.00 57.03 57.11 1y79 h ASP 529 Cb 1.29 -0.04 -0.03 0.00 -0.56 0.00 0.00 39.33 39.99 1y79 h ASP 529 CO 0.62 0.24 0.30 -0.33 -1.57 0.00 0.00 179.24 178.50 1y79 h GLU 530 N 0.65 0.58 -0.26 3.56 3.07 -1.99 0.36 114.58 120.55 1y79 h GLU 530 Ca 0.56 -0.03 -0.15 0.00 -0.50 0.00 0.00 59.36 59.23 1y79 h GLU 530 Cb 1.02 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.79 1y79 h GLU 530 CO -0.33 0.38 -0.44 -0.07 -1.40 0.00 0.00 179.01 177.15 1y79 h LEU 531 N 0.60 0.70 -1.14 1.33 3.38 -1.46 -2.11 115.31 116.62 1y79 h LEU 531 Ca 0.21 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1y79 h LEU 531 Cb 0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1y79 h LEU 531 CO -0.10 1.05 -0.08 1.56 0.09 0.00 0.00 178.44 180.96 1y79 h GLN 532 N 0.53 0.50 -0.26 1.13 4.20 -1.05 -1.30 115.11 118.86 1y79 h GLN 532 Ca 0.04 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 1y79 h GLN 532 Cb 0.98 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 1y79 h GLN 532 CO 0.09 0.59 -0.13 0.37 -0.67 0.00 0.00 178.83 179.09 1y79 h GLN 533 N 0.47 0.54 -0.74 1.46 5.75 -0.57 -1.91 115.11 120.13 1y79 h GLN 533 Ca 0.09 -0.24 0.01 0.00 -0.15 0.00 0.00 58.65 58.37 1y79 h GLN 533 Cb 0.43 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.93 1y79 h GLN 533 CO 0.02 0.80 0.49 0.87 -2.65 0.00 0.00 178.83 178.35 1y79 h LYS 534 N 0.27 0.95 -0.82 1.69 1.57 -1.13 0.11 116.57 119.22 1y79 h LYS 534 Ca 0.06 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1y79 h LYS 534 Cb 0.63 -0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.68 1y79 h LYS 534 CO 0.04 0.63 0.53 1.98 -0.57 0.00 0.00 179.45 182.06 1y79 h MET 535 N 0.98 1.02 -0.49 3.15 4.05 -1.09 -0.63 114.93 121.92 1y79 h MET 535 Ca 0.28 -0.06 -0.08 0.00 -0.28 0.00 0.00 59.70 59.56 1y79 h MET 535 Cb -0.09 -0.23 -0.02 0.00 -0.80 0.00 0.00 31.60 30.46 1y79 h MET 535 CO -0.07 0.68 0.01 0.00 0.23 0.00 0.00 176.91 177.75 1y79 h ARG 536 N 1.05 0.86 -0.93 0.39 3.08 -0.63 -2.64 114.38 115.56 1y79 h ARG 536 Ca 0.32 -0.27 0.06 0.00 0.07 0.00 0.00 59.98 60.16 1y79 h ARG 536 Cb -0.04 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 29.87 1y79 h ARG 536 CO -0.10 0.89 0.60 -0.91 -1.07 0.00 0.00 179.97 179.39 1y79 h ASN 537 N 0.72 0.94 -0.31 7.04 2.35 -0.39 -2.06 115.58 123.87 1y79 h ASN 537 Ca 0.14 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1y79 h ASN 537 Cb 0.50 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1y79 h ASN 537 CO 0.02 0.60 0.00 0.00 -1.65 0.00 0.00 177.43 176.41 1y79 n ALA 538 N -2.39 2.71 0.16 -0.83 0.00 -0.30 -4.57 120.51 115.29 1y79 n ALA 538 Ca 0.14 -0.69 0.16 0.00 0.00 0.00 0.00 53.44 53.05 1y79 n ALA 538 Cb 0.19 -1.01 0.76 0.00 0.00 0.00 0.00 19.45 19.40 1y79 n ALA 538 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1y79 h SER 539 N 1.91 0.00 0.19 0.00 4.64 -1.03 0.89 113.55 120.15 1y79 h SER 539 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y79 h SER 539 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1y79 h SER 539 CO 0.08 0.00 -0.25 0.18 -0.87 0.00 0.00 176.83 175.97 1y79 n LEU 540 N -4.09 1.17 -4.71 5.97 4.77 -1.26 -4.86 117.00 114.00 1y79 n LEU 540 Ca 0.03 -0.33 -0.42 0.00 -0.03 0.00 0.00 56.01 55.26 1y79 n LEU 540 Cb 0.35 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 1y79 n LEU 540 CO 0.31 0.22 1.41 0.12 -1.33 0.00 0.00 177.39 178.12 1y79 s PHE 541 N -2.45 2.60 0.00 -1.77 5.36 0.30 -1.53 117.98 120.49 1y79 s PHE 541 Ca 0.25 0.20 0.00 0.00 -0.96 0.00 0.00 56.93 56.42 1y79 s PHE 541 Cb 0.19 -4.16 0.00 0.00 -0.34 0.00 0.00 43.02 38.72 1y79 s PHE 541 CO 0.51 -4.54 0.00 -1.71 -1.46 0.00 0.00 175.22 168.02 1y79 n ASN 542 N 4.66 -3.30 0.17 6.13 5.15 -1.26 -4.88 115.26 121.93 1y79 n ASN 542 Ca 0.17 0.00 0.02 0.00 -0.60 0.00 0.00 54.58 54.16 1y79 n ASN 542 Cb 0.36 -1.49 0.33 0.00 -0.53 0.00 0.00 39.78 38.46 1y79 n ASN 542 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1y79 h LYS 543 N 0.88 0.04 0.25 1.20 1.63 -1.61 -1.25 116.57 117.70 1y79 h LYS 543 Ca 0.00 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 1y79 h LYS 543 Cb 0.30 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1y79 h LYS 543 CO 0.00 0.42 -0.12 0.78 -3.45 0.00 0.00 179.45 177.08 1y79 h GLY 544 N 1.16 -0.34 0.91 5.01 0.00 -1.84 -1.06 103.07 106.91 1y79 h GLY 544 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 47.33 47.47 1y79 h GLY 544 CO 0.05 -0.12 -0.01 -1.82 0.00 0.00 0.00 176.54 174.64 1y79 h TYR 545 N -0.53 -0.01 -0.10 5.60 3.20 -1.84 -1.48 116.97 121.81 1y79 h TYR 545 Ca -0.03 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.86 1y79 h TYR 545 Cb 0.39 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 1y79 h TYR 545 CO -0.00 -0.01 -0.01 0.93 -1.64 0.00 0.00 178.16 177.42 1y79 h GLU 546 N 0.01 0.02 -0.35 1.82 5.08 -1.20 -0.48 114.58 119.49 1y79 h GLU 546 Ca 0.02 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 1y79 h GLU 546 Cb 0.03 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1y79 h GLU 546 CO -0.05 0.01 -0.15 0.52 -1.00 0.00 0.00 179.01 178.35 1y79 h MET 547 N 0.02 0.62 -0.38 2.33 2.86 -1.19 -2.62 114.93 116.57 1y79 h MET 547 Ca 0.04 -0.21 -0.10 0.00 -2.06 0.00 0.00 59.70 57.38 1y79 h MET 547 Cb 0.06 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1y79 h MET 547 CO -0.08 0.75 -0.15 0.77 1.06 0.00 0.00 176.91 179.26 1y79 h SER 548 N 0.56 0.79 1.02 1.22 0.02 -0.92 -0.28 113.55 115.97 1y79 h SER 548 Ca 0.10 -0.39 -0.06 0.00 -0.84 0.00 0.00 61.79 60.60 1y79 h SER 548 Cb 0.58 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1y79 h SER 548 CO 0.04 1.00 -0.27 1.05 -1.14 0.00 0.00 176.83 177.51 1y79 h GLU 549 N 0.58 0.00 -0.01 3.45 4.11 -1.09 0.48 114.58 122.09 1y79 h GLU 549 Ca 0.09 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.46 1y79 h GLU 549 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1y79 h GLU 549 CO 0.05 0.27 -0.23 -0.07 0.07 0.00 0.00 179.01 179.09 1y79 h LEU 550 N 0.00 0.23 -0.70 3.06 3.38 -1.35 0.12 115.31 120.05 1y79 h LEU 550 Ca -0.00 -0.74 -0.03 0.00 0.09 0.00 0.00 57.88 57.21 1y79 h LEU 550 Cb 0.85 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1y79 h LEU 550 CO 0.03 0.93 0.34 -0.07 0.09 0.00 0.00 178.44 179.76 1y79 h LEU 551 N -0.45 0.91 -0.37 1.67 3.38 -0.90 -1.01 115.31 118.53 1y79 h LEU 551 Ca -0.03 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1y79 h LEU 551 Cb 0.96 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1y79 h LEU 551 CO 0.05 0.79 0.23 0.28 0.09 0.00 0.00 178.44 179.88 1y79 h SER 552 N 0.97 0.39 -0.54 -0.43 0.02 -0.96 -0.50 113.55 112.51 1y79 h SER 552 Ca 0.24 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.10 1y79 h SER 552 Cb 0.12 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1y79 h SER 552 CO -0.03 0.28 0.00 0.00 -1.14 0.00 0.00 176.83 175.95 1y79 h ALA 553 N 1.15 0.73 -0.17 3.77 0.00 -1.28 -1.09 119.26 122.36 1y79 h ALA 553 Ca 0.14 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1y79 h ALA 553 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1y79 h ALA 553 CO -0.04 0.55 -0.38 0.00 0.00 0.00 0.00 179.25 179.37 1y79 h ALA 554 N 0.95 1.03 -0.13 0.00 0.00 -0.97 -1.25 119.26 118.89 1y79 h ALA 554 Ca 0.15 -0.41 -0.21 0.00 0.00 0.00 0.00 54.91 54.44 1y79 h ALA 554 Cb 0.53 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1y79 h ALA 554 CO 0.03 0.60 -0.76 -0.07 0.00 0.00 0.00 179.25 179.05 1y79 h LEU 555 N 0.32 0.80 -0.29 0.00 3.38 -1.02 -1.70 115.31 116.79 1y79 h LEU 555 Ca 0.03 -0.52 0.01 0.00 0.09 0.00 0.00 57.88 57.49 1y79 h LEU 555 Cb 0.82 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1y79 h LEU 555 CO 0.07 1.30 0.18 0.25 0.09 0.00 0.00 178.44 180.33 1y79 h LEU 556 N 0.46 0.30 -0.40 1.67 5.85 -0.96 0.12 115.31 122.35 1y79 h LEU 556 Ca -0.04 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1y79 h LEU 556 Cb 1.37 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 1y79 h LEU 556 CO 0.15 0.22 0.22 -0.78 -0.34 0.00 0.00 178.44 177.91 1y79 h ASP 557 N 0.37 0.35 -0.25 1.25 -0.00 -1.18 -1.67 116.42 115.29 1y79 h ASP 557 Ca 0.11 0.01 -0.00 0.00 -0.00 0.00 0.00 57.03 57.15 1y79 h ASP 557 Cb -0.02 -0.06 -0.01 0.00 -0.00 0.00 0.00 39.33 39.23 1y79 h ASP 557 CO -0.04 0.25 0.15 -0.03 -0.00 0.00 0.00 179.24 179.57 1y79 h MET 558 N 0.45 0.35 -0.97 0.28 4.05 -0.92 -2.35 114.93 115.82 1y79 h MET 558 Ca 0.16 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.59 1y79 h MET 558 Cb 0.03 -0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 30.70 1y79 h MET 558 CO -0.09 0.29 0.63 0.00 0.23 0.00 0.00 176.91 177.97 1y79 h ARG 559 N 0.31 1.17 -0.33 0.39 2.47 -0.71 -0.72 114.38 116.95 1y79 h ARG 559 Ca 0.09 -0.07 -0.04 0.00 -1.26 0.00 0.00 59.98 58.70 1y79 h ARG 559 Cb 0.04 -0.26 -0.02 0.00 -1.65 0.00 0.00 29.97 28.08 1y79 h ARG 559 CO -0.02 0.77 0.04 -1.49 0.56 0.00 0.00 179.97 179.84 1y79 h TRP 560 N 1.20 0.51 -0.66 3.04 -0.00 -1.03 -2.83 115.95 116.18 1y79 h TRP 560 Ca 0.39 -0.04 0.00 0.00 -0.00 0.00 0.00 58.89 59.25 1y79 h TRP 560 Cb 0.05 -0.15 0.00 0.00 -0.00 0.00 0.00 29.16 29.06 1y79 h TRP 560 CO -0.00 0.47 0.00 0.72 -0.00 0.00 0.00 178.44 179.63 1y79 n HIS 561 N -4.32 1.18 -0.22 0.49 8.25 -0.39 -3.76 115.22 116.44 1y79 n HIS 561 Ca 0.02 -0.52 0.06 0.00 -0.26 0.00 0.00 57.72 57.02 1y79 n HIS 561 Cb 0.21 -0.12 0.15 0.00 1.12 0.00 0.00 29.99 31.35 1y79 n HIS 561 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y79 s LEU 563 N -1.12 4.32 0.33 0.00 1.43 -1.24 -4.91 118.68 117.49 1y79 s LEU 563 Ca 0.23 1.63 -0.25 0.00 -1.03 0.00 0.00 54.13 54.70 1y79 s LEU 563 Cb 0.13 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.69 1y79 s LEU 563 CO 0.15 -0.35 0.94 -1.61 0.23 0.00 0.00 176.35 175.70 1y79 s GLU 564 N 1.46 4.55 0.17 1.70 2.02 -1.26 -4.58 118.70 122.75 1y79 s GLU 564 Ca 0.51 1.30 0.00 0.00 0.02 0.00 0.00 54.97 56.80 1y79 s GLU 564 Cb -0.20 -2.74 0.39 0.00 0.10 0.00 0.00 34.13 31.67 1y79 s GLU 564 CO 0.24 0.25 0.86 -1.91 0.02 0.00 0.00 175.26 174.72 1y79 n GLU 565 N 0.45 -0.04 0.28 1.61 2.13 -1.26 0.75 120.64 124.56 1y79 n GLU 565 Ca 0.02 0.83 0.17 0.00 0.66 0.00 0.00 57.16 58.84 1y79 n GLU 565 Cb 0.50 -1.30 0.77 0.00 0.27 0.00 0.00 31.44 31.69 1y79 n GLU 565 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1y79 h ASN 566 N 0.00 0.00 -0.00 4.31 4.21 -1.95 -2.98 115.58 119.17 1y79 h ASN 566 Ca 0.32 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.83 1y79 h ASN 566 Cb 0.63 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.83 1y79 h ASN 566 CO -0.52 0.04 0.00 -1.84 -1.29 0.00 0.00 177.43 173.81 1y79 n GLU 567 N -3.18 1.98 0.01 0.81 0.28 0.23 -4.82 120.64 115.94 1y79 n GLU 567 Ca -0.00 -2.15 0.01 0.00 -0.16 0.00 0.00 57.16 54.86 1y79 n GLU 567 Cb 0.27 -1.30 0.34 0.00 1.43 0.00 0.00 31.44 32.17 1y79 n GLU 567 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1y79 h ALA 568 N 0.01 1.47 -2.48 -1.84 0.00 -1.20 -3.44 119.26 111.79 1y79 h ALA 568 Ca 0.00 -0.16 -0.53 0.00 0.00 0.00 0.00 54.91 54.22 1y79 h ALA 568 Cb 0.80 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1y79 h ALA 568 CO 0.00 0.39 0.62 1.41 0.00 0.00 0.00 179.25 181.67 1y79 s MET 569 N -5.08 4.39 0.21 0.00 -2.45 -1.26 -4.39 119.30 110.72 1y79 s MET 569 Ca -0.08 1.84 -0.11 0.00 -1.25 0.00 0.00 55.69 56.09 1y79 s MET 569 Cb 0.16 -3.36 -0.01 0.00 1.25 0.00 0.00 34.83 32.88 1y79 s MET 569 CO 0.75 -0.33 0.40 -0.65 1.05 0.00 0.00 175.02 176.25 1y79 s GLN 570 N 1.23 1.39 -0.24 4.11 -1.52 -1.26 -5.11 119.66 118.27 1y79 s GLN 570 Ca 0.60 -1.22 -0.18 0.00 -1.95 0.00 0.00 55.36 52.61 1y79 s GLN 570 Cb -0.31 0.43 -0.03 0.00 -0.22 0.00 0.00 33.01 32.89 1y79 s GLN 570 CO 0.29 -0.56 0.49 0.34 -0.25 0.00 0.00 175.29 175.60 1y79 s ASP 571 N -3.00 6.45 0.16 5.90 2.15 -1.26 -4.88 116.67 122.19 1y79 s ASP 571 Ca 0.21 0.54 -0.18 0.00 0.43 0.00 0.00 52.55 53.55 1y79 s ASP 571 Cb 0.01 -2.27 0.08 0.00 -0.30 0.00 0.00 42.92 40.44 1y79 s ASP 571 CO 0.06 -0.23 1.66 0.58 -0.17 0.00 0.00 175.17 177.06 1y79 h VAL 572 N 5.29 0.55 -0.50 1.11 2.07 -1.99 0.19 116.25 122.97 1y79 h VAL 572 Ca -0.31 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 1y79 h VAL 572 Cb 1.15 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1y79 h VAL 572 CO 0.72 0.00 0.18 0.44 0.02 0.00 0.00 177.57 178.93 1y79 h ASP 573 N -0.06 0.70 -0.24 0.57 3.45 -1.98 -1.11 116.42 117.75 1y79 h ASP 573 Ca 0.18 -0.19 -0.04 0.00 0.43 0.00 0.00 57.03 57.42 1y79 h ASP 573 Cb 0.33 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.91 1y79 h ASP 573 CO -0.41 0.70 0.01 -0.78 -1.57 0.00 0.00 179.24 177.19 1y79 h ASP 574 N 0.67 0.41 -0.51 6.45 1.82 -1.89 -2.71 116.42 120.66 1y79 h ASP 574 Ca 0.16 -0.30 -0.03 0.00 -0.39 0.00 0.00 57.03 56.47 1y79 h ASP 574 Cb 0.23 -0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.11 1y79 h ASP 574 CO -0.01 0.61 0.19 0.15 -1.61 0.00 0.00 179.24 178.58 1y79 h PHE 575 N 0.20 0.78 -0.52 0.28 3.04 -0.92 -1.45 116.94 118.36 1y79 h PHE 575 Ca 0.07 -0.06 0.10 0.00 3.98 0.00 0.00 57.97 62.06 1y79 h PHE 575 Cb 0.40 -0.23 -0.09 0.00 2.56 0.00 0.00 35.95 38.59 1y79 h PHE 575 CO 0.03 0.66 -0.00 1.49 -2.02 0.00 0.00 178.31 178.47 1y79 h GLU 576 N 0.68 0.11 -0.28 1.11 4.81 -1.15 0.38 114.58 120.25 1y79 h GLU 576 Ca 0.17 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1y79 h GLU 576 Cb 0.21 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1y79 h GLU 576 CO -0.01 0.07 0.07 1.25 -0.73 0.00 0.00 179.01 179.66 1y79 h LEU 577 N 0.12 0.43 -1.05 1.64 5.85 -1.14 -2.27 115.31 118.89 1y79 h LEU 577 Ca 0.26 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1y79 h LEU 577 Cb 0.40 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1y79 h LEU 577 CO -0.44 0.55 0.14 0.03 -0.34 0.00 0.00 178.44 178.39 1y79 h ARG 578 N 0.29 0.83 -0.24 1.25 3.08 -0.56 -0.91 114.38 118.11 1y79 h ARG 578 Ca 0.09 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1y79 h ARG 578 Cb 0.29 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1y79 h ARG 578 CO 0.00 0.74 0.11 0.00 -1.07 0.00 0.00 179.97 179.74 1y79 h ALA 579 N 1.36 0.31 -0.54 0.04 0.00 -0.09 -1.37 119.26 118.97 1y79 h ALA 579 Ca 0.18 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1y79 h ALA 579 Cb 0.28 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1y79 h ALA 579 CO -0.00 -0.11 0.03 -0.07 0.00 0.00 0.00 179.25 179.10 1y79 h LEU 580 N 0.25 0.91 -0.25 0.00 3.38 -1.08 -2.18 115.31 116.33 1y79 h LEU 580 Ca 0.08 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.78 1y79 h LEU 580 Cb 0.15 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1y79 h LEU 580 CO -0.01 0.98 0.11 0.58 0.09 0.00 0.00 178.44 180.19 1y79 h VAL 581 N 0.81 0.97 0.00 1.22 2.07 -1.04 -0.17 116.25 120.11 1y79 h VAL 581 Ca 0.16 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 1y79 h VAL 581 Cb 0.49 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1y79 h VAL 581 CO 0.02 0.04 -0.00 0.00 0.02 0.00 0.00 177.57 177.65 1y79 h ALA 582 N 1.14 1.77 -0.64 1.67 0.00 -1.10 0.34 119.26 122.44 1y79 h ALA 582 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1y79 h ALA 582 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1y79 h ALA 582 CO -0.09 0.00 0.00 -1.91 0.00 0.00 0.00 179.25 177.25 1y79 n GLU 583 N -4.21 2.81 -3.92 0.00 4.07 -0.69 -4.94 120.64 113.76 1y79 n GLU 583 Ca -0.03 -2.42 -0.31 0.00 -0.06 0.00 0.00 57.16 54.33 1y79 n GLU 583 Cb 0.09 -1.61 -0.01 0.00 -0.06 0.00 0.00 31.44 29.85 1y79 n GLU 583 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1y79 n ASN 584 N 1.29 -3.72 -1.89 4.31 3.02 0.11 -4.84 115.26 113.54 1y79 n ASN 584 Ca 0.22 -0.78 -0.06 0.00 -0.03 0.00 0.00 54.58 53.93 1y79 n ASN 584 Cb 0.63 -3.03 0.07 0.00 -0.61 0.00 0.00 39.78 36.83 1y79 n ASN 584 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1y79 n MET 585 N -4.24 1.98 -2.98 3.52 2.81 -0.18 -4.92 117.12 113.10 1y79 n MET 585 Ca 0.05 -3.40 -0.44 0.00 -1.81 0.00 0.00 57.70 52.10 1y79 n MET 585 Cb 0.51 -1.52 0.00 0.00 -0.71 0.00 0.00 33.22 31.50 1y79 n MET 585 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1y79 n ASP 586 N -0.53 5.57 -4.38 7.83 4.64 -1.22 -4.82 116.55 123.64 1y79 n ASP 586 Ca 0.21 -3.12 -0.45 0.00 -1.38 0.00 0.00 54.79 50.05 1y79 n ASP 586 Cb 0.90 -1.42 -0.07 0.00 -1.04 0.00 0.00 41.12 39.48 1y79 n ASP 586 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1y79 s LEU 587 N -0.66 5.62 0.34 -2.67 1.43 -1.26 -4.96 118.68 116.52 1y79 s LEU 587 Ca 0.36 -1.34 0.11 0.00 -1.03 0.00 0.00 54.13 52.22 1y79 s LEU 587 Cb -0.01 -2.22 0.88 0.00 0.03 0.00 0.00 46.19 44.87 1y79 s LEU 587 CO -0.00 -0.72 1.78 1.55 0.23 0.00 0.00 176.35 179.19 1y79 h PRO 588 N 8.82 0.60 0.00 1.29 0.13 -1.99 0.48 132.00 141.32 1y79 h PRO 588 Ca -0.29 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1y79 h PRO 588 Cb 1.11 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1y79 h PRO 588 CO 0.92 0.39 -0.27 0.00 -0.23 0.00 0.00 178.00 178.81 1y79 h ALA 589 N 1.64 0.85 -2.92 -0.56 0.00 -1.93 -3.40 119.26 112.95 1y79 h ALA 589 Ca 0.57 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.87 1y79 h ALA 589 Cb 1.10 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.48 1y79 h ALA 589 CO -0.34 0.00 -0.68 0.42 0.00 0.00 0.00 179.25 178.65 1y79 s ILE 590 N -3.20 2.17 0.86 0.00 1.01 0.16 -4.21 121.20 117.98 1y79 s ILE 590 Ca 0.07 -3.74 -0.11 0.00 0.00 0.00 0.00 60.65 56.87 1y79 s ILE 590 Cb 0.09 -2.44 0.11 0.00 0.01 0.00 0.00 42.46 40.23 1y79 s ILE 590 CO 0.68 -1.05 1.09 -2.16 0.00 0.00 0.00 174.94 173.50 1y79 s PRO 591 N -0.93 1.57 0.70 2.79 0.04 -1.22 -4.36 135.00 133.58 1y79 s PRO 591 Ca 0.26 0.97 -0.17 0.00 0.04 0.00 0.00 61.00 62.11 1y79 s PRO 591 Cb -0.05 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.68 1y79 s PRO 591 CO -0.16 -2.07 1.22 -0.35 0.04 0.00 0.00 177.00 175.69 1y79 n PRO 592 N -3.79 0.80 0.19 0.56 -0.04 -1.26 -4.56 135.00 126.91 1y79 n PRO 592 Ca 0.08 0.34 0.18 0.00 -0.04 0.00 0.00 63.50 64.05 1y79 n PRO 592 Cb 0.54 -2.46 0.82 0.00 -0.04 0.00 0.00 33.50 32.37 1y79 n PRO 592 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1y79 h ARG 593 N 0.08 0.00 -3.51 0.54 2.43 -1.13 -3.39 114.38 109.40 1y79 h ARG 593 Ca -0.49 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.46 1y79 h ARG 593 Cb 1.33 0.00 -0.28 0.00 -0.42 0.00 0.00 29.97 30.60 1y79 h ARG 593 CO 0.50 0.00 -0.63 0.71 -1.51 0.00 0.00 179.97 179.04 1y79 s TYR 594 N -4.60 -0.08 0.38 2.20 1.51 -1.26 -1.50 117.35 113.99 1y79 s TYR 594 Ca -0.05 0.23 -0.08 0.00 -1.01 0.00 0.00 57.07 56.16 1y79 s TYR 594 Cb 0.15 -0.01 -0.06 0.00 -0.11 0.00 0.00 41.96 41.94 1y79 s TYR 594 CO 0.54 -0.06 0.71 0.50 -1.11 0.00 0.00 175.55 176.13 1y79 s ARG 595 N 0.26 3.71 0.19 -0.62 3.52 -1.26 -4.79 118.95 119.95 1y79 s ARG 595 Ca -0.02 0.30 -0.20 0.00 -0.13 0.00 0.00 55.73 55.68 1y79 s ARG 595 Cb -0.03 -2.46 0.13 0.00 -1.56 0.00 0.00 34.95 31.03 1y79 s ARG 595 CO -0.01 0.01 1.60 0.77 -0.81 0.00 0.00 175.30 176.86 1y79 h SER 596 N 1.24 -1.04 -0.24 -2.12 0.02 -1.96 -0.94 113.55 108.51 1y79 h SER 596 Ca -0.47 0.21 0.07 0.00 -0.84 0.00 0.00 61.79 60.76 1y79 h SER 596 Cb 1.19 0.53 -0.01 0.00 0.14 0.00 0.00 62.40 64.25 1y79 h SER 596 CO 0.64 -0.29 0.47 0.77 -1.14 0.00 0.00 176.83 177.28 1y79 h SER 597 N -0.15 0.00 0.00 3.07 4.64 -1.94 -1.12 113.55 118.05 1y79 h SER 597 Ca 0.23 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.47 1y79 h SER 597 Cb 0.54 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.45 1y79 h SER 597 CO -0.65 0.00 -0.74 0.00 -0.87 0.00 0.00 176.83 174.58 1y79 n TYR 598 N -3.25 0.00 -2.50 4.77 0.18 -0.43 -4.74 117.16 111.18 1y79 n TYR 598 Ca 0.04 -1.00 -0.43 0.00 1.88 0.00 0.00 57.90 58.38 1y79 n TYR 598 Cb 0.59 -0.20 0.00 0.00 -0.38 0.00 0.00 39.34 39.35 1y79 n TYR 598 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 1y79 n PHE 599 N -0.36 4.10 0.24 -3.48 -0.00 -0.43 -4.76 117.46 112.78 1y79 n PHE 599 Ca 0.13 -3.03 0.08 0.00 -0.00 0.00 0.00 57.45 54.63 1y79 n PHE 599 Cb 0.90 -2.27 0.61 0.00 -0.00 0.00 0.00 39.48 38.71 1y79 n PHE 599 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1y79 h ALA 600 N 6.64 1.62 -0.99 3.13 0.00 -1.90 -1.97 119.26 125.80 1y79 h ALA 600 Ca 0.41 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 55.30 1y79 h ALA 600 Cb 0.76 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 1y79 h ALA 600 CO 1.50 0.17 0.62 0.45 0.00 0.00 0.00 179.25 181.99 1y79 h HIS 601 N 0.00 1.13 0.00 0.00 -0.00 -1.93 0.21 115.15 114.56 1y79 h HIS 601 Ca -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1y79 h HIS 601 Cb 0.26 -0.36 0.00 0.00 -0.00 0.00 0.00 27.41 27.31 1y79 h HIS 601 CO 0.00 0.47 -1.21 0.44 -0.00 0.00 0.00 177.93 177.63 1y79 n ILE 602 N -4.61 0.00 0.21 2.45 -5.35 -0.93 -1.01 119.36 110.12 1y79 n ILE 602 Ca 0.18 -0.25 0.02 0.00 -0.27 0.00 0.00 62.75 62.43 1y79 n ILE 602 Cb 0.32 0.57 -0.02 0.00 -1.74 0.00 0.00 39.64 38.77 1y79 n ILE 602 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1y79 n PHE 603 N -1.70 0.00 -0.23 4.28 0.99 -0.78 -4.27 117.46 115.75 1y79 n PHE 603 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1y79 n PHE 603 Cb 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.80 1y79 n PHE 603 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1y79 n GLY 604 N 0.97 0.84 0.00 1.37 0.00 -0.99 -4.60 105.19 102.79 1y79 n GLY 604 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1y79 n GLY 604 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y79 n GLY 605 N 0.15 6.25 1.98 -0.02 0.00 0.71 -4.91 105.19 109.35 1y79 n GLY 605 Ca 0.00 -2.01 -0.24 0.00 0.00 0.00 0.00 46.02 43.77 1y79 n GLY 605 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y79 n GLY 606 N 4.24 5.79 0.13 -0.02 0.00 -1.17 -4.50 105.19 109.67 1y79 n GLY 606 Ca 0.00 -2.15 0.09 0.00 0.00 0.00 0.00 46.02 43.96 1y79 n GLY 606 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1y79 n TYR 607 N -0.90 0.08 -1.71 1.61 4.01 -0.18 -4.95 117.16 115.12 1y79 n TYR 607 Ca 0.50 -0.93 -0.43 0.00 -0.16 0.00 0.00 57.90 56.88 1y79 n TYR 607 Cb 0.91 -0.15 -0.02 0.00 -0.31 0.00 0.00 39.34 39.77 1y79 n TYR 607 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1y79 n ALA 608 N -1.24 1.85 -3.14 -0.72 0.00 -1.25 0.52 120.51 116.53 1y79 n ALA 608 Ca 0.14 0.39 -0.21 0.00 0.00 0.00 0.00 53.44 53.76 1y79 n ALA 608 Cb 0.61 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1y79 n ALA 608 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y79 n ALA 609 N 2.02 -1.00 -1.44 0.00 0.00 -1.26 -4.77 120.51 114.07 1y79 n ALA 609 Ca 0.10 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1y79 n ALA 609 Cb 0.34 -2.85 0.00 0.00 0.00 0.00 0.00 19.45 16.95 1y79 n ALA 609 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y79 n GLY 610 N -1.20 0.14 0.23 0.00 0.00 0.18 -4.70 105.19 99.85 1y79 n GLY 610 Ca -0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.05 1y79 n GLY 610 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1y79 h TYR 611 N 0.00 0.00 0.00 1.61 5.03 -1.76 -0.95 116.97 120.90 1y79 h TYR 611 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1y79 h TYR 611 Cb 0.69 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.97 1y79 h TYR 611 CO 0.00 0.21 0.05 0.10 -1.32 0.00 0.00 178.16 177.20 1y79 h TYR 612 N 0.00 0.00 -0.82 -3.82 -0.00 -1.90 -2.24 116.97 108.20 1y79 h TYR 612 Ca -0.00 0.00 0.15 0.00 0.00 0.00 0.00 58.73 58.88 1y79 h TYR 612 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 36.73 37.15 1y79 h TYR 612 CO 0.00 0.00 0.54 0.00 -0.00 0.00 0.00 178.16 178.70 1y79 h ALA 613 N 1.90 2.03 -0.53 0.10 0.00 -1.51 0.57 119.26 121.83 1y79 h ALA 613 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1y79 h ALA 613 Cb 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1y79 h ALA 613 CO 0.00 -0.26 0.19 1.88 0.00 0.00 0.00 179.25 181.05 1y79 h TYR 614 N 0.50 0.82 -0.26 0.00 -1.99 -1.62 -1.58 116.97 112.86 1y79 h TYR 614 Ca 0.41 -0.07 -0.09 0.00 2.00 0.00 0.00 58.73 60.97 1y79 h TYR 614 Cb 0.85 -0.24 -0.01 0.00 2.00 0.00 0.00 36.73 39.33 1y79 h TYR 614 CO -0.00 0.69 -0.21 -0.07 -0.00 0.00 0.00 178.16 178.58 1y79 h LEU 615 N 0.71 0.63 -0.88 3.88 3.38 -1.16 -2.74 115.31 119.14 1y79 h LEU 615 Ca 0.17 -0.45 0.04 0.00 0.09 0.00 0.00 57.88 57.73 1y79 h LEU 615 Cb 0.24 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1y79 h LEU 615 CO -0.01 0.95 0.56 -0.25 0.09 0.00 0.00 178.44 179.78 1y79 h TRP 616 N 0.32 1.06 -0.00 1.13 2.91 -0.93 -2.14 115.95 118.29 1y79 h TRP 616 Ca 0.05 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.10 1y79 h TRP 616 Cb 0.75 -0.35 0.00 0.00 -0.51 0.00 0.00 29.16 29.05 1y79 h TRP 616 CO 0.07 0.60 -0.11 0.25 -1.03 0.00 0.00 178.44 178.22 1y79 n THR 617 N -4.54 0.00 -0.01 2.65 -2.24 -0.60 -2.94 114.28 106.60 1y79 n THR 617 Ca 0.11 -0.01 -0.05 0.00 -2.27 0.00 0.00 64.05 61.84 1y79 n THR 617 Cb 0.10 -0.30 0.17 0.00 -2.10 0.00 0.00 70.33 68.19 1y79 n THR 617 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1y79 h GLN 618 N 0.08 0.54 -0.60 -0.78 4.20 -1.06 0.25 115.11 117.73 1y79 h GLN 618 Ca 0.00 -0.21 0.01 0.00 0.06 0.00 0.00 58.65 58.51 1y79 h GLN 618 Cb 0.45 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1y79 h GLN 618 CO 0.00 0.76 0.39 1.98 -0.67 0.00 0.00 178.83 181.29 1y79 h MET 619 N 0.47 0.77 -0.09 1.46 4.05 -1.59 0.67 114.93 120.68 1y79 h MET 619 Ca 0.07 -0.05 -0.14 0.00 -0.28 0.00 0.00 59.70 59.30 1y79 h MET 619 Cb 0.71 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.32 1y79 h MET 619 CO 0.05 0.51 -0.58 -0.07 0.23 0.00 0.00 176.91 177.06 1y79 h LEU 620 N 0.80 0.31 -0.10 3.39 3.38 -1.56 -1.76 115.31 119.77 1y79 h LEU 620 Ca 0.22 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1y79 h LEU 620 Cb -0.07 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1y79 h LEU 620 CO -0.06 0.82 -0.08 0.00 0.09 0.00 0.00 178.44 179.21 1y79 h ALA 621 N 1.19 0.14 -0.28 1.53 0.00 0.16 0.11 119.26 122.10 1y79 h ALA 621 Ca -0.00 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.45 1y79 h ALA 621 Cb 1.07 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1y79 h ALA 621 CO 0.09 -0.04 -0.51 -0.44 0.00 0.00 0.00 179.25 178.35 1y79 h ASP 622 N -0.17 0.88 -0.22 0.00 3.32 -0.94 0.16 116.42 119.45 1y79 h ASP 622 Ca 0.02 -0.45 -0.07 0.00 0.02 0.00 0.00 57.03 56.54 1y79 h ASP 622 Cb 0.58 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 1y79 h ASP 622 CO 0.02 1.23 -0.15 -0.78 -1.72 0.00 0.00 179.24 177.83 1y79 h ASP 623 N 0.63 0.51 -0.63 6.45 1.82 -1.38 -2.76 116.42 121.06 1y79 h ASP 623 Ca 0.02 -0.44 -0.01 0.00 -0.39 0.00 0.00 57.03 56.21 1y79 h ASP 623 Cb 1.09 -0.14 -0.03 0.00 0.68 0.00 0.00 39.33 40.93 1y79 h ASP 623 CO 0.11 0.85 0.35 1.23 -1.61 0.00 0.00 179.24 180.17 1y79 h GLY 624 N 0.18 0.95 1.77 -0.78 0.00 -0.66 -1.77 103.07 102.78 1y79 h GLY 624 Ca 0.04 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 46.85 1y79 h GLY 624 CO 0.04 0.40 -0.39 -1.82 0.00 0.00 0.00 176.54 174.77 1y79 h TYR 625 N 0.90 0.30 -0.29 5.60 5.03 -0.65 -1.96 116.97 125.90 1y79 h TYR 625 Ca 0.23 -0.08 -0.01 0.00 2.58 0.00 0.00 58.73 61.45 1y79 h TYR 625 Cb 0.03 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.22 1y79 h TYR 625 CO 0.01 0.61 0.13 0.37 -1.32 0.00 0.00 178.16 177.96 1y79 h GLN 626 N 0.22 0.40 -0.36 1.82 5.75 -1.03 -0.37 115.11 121.54 1y79 h GLN 626 Ca 0.02 -0.04 0.05 0.00 -0.15 0.00 0.00 58.65 58.53 1y79 h GLN 626 Cb 0.79 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.22 1y79 h GLN 626 CO 0.06 0.32 0.10 2.35 -2.65 0.00 0.00 178.83 179.01 1y79 h TRP 627 N 0.40 0.17 -0.50 3.99 7.01 -0.91 -0.13 115.95 125.98 1y79 h TRP 627 Ca 0.10 0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.15 1y79 h TRP 627 Cb 0.07 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 27.07 1y79 h TRP 627 CO 0.00 0.06 0.30 0.74 -2.79 0.00 0.00 178.44 176.75 1y79 h PHE 628 N 0.24 0.56 -0.77 2.65 -1.00 -1.05 -1.76 116.94 115.79 1y79 h PHE 628 Ca 0.16 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.93 1y79 h PHE 628 Cb 0.16 -0.18 -0.04 0.00 3.61 0.00 0.00 35.95 39.51 1y79 h PHE 628 CO -0.16 0.32 0.38 0.28 -1.61 0.00 0.00 178.31 177.51 1y79 h VAL 629 N 0.59 1.24 0.00 -0.55 2.07 -0.58 0.11 116.25 119.13 1y79 h VAL 629 Ca 0.20 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1y79 h VAL 629 Cb 0.03 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1y79 h VAL 629 CO -0.10 0.29 0.00 -0.33 0.02 0.00 0.00 177.57 177.45 1y79 h GLU 630 N 1.09 0.00 -0.50 1.57 5.08 -0.72 -3.11 114.58 117.99 1y79 h GLU 630 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1y79 h GLU 630 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1y79 h GLU 630 CO -0.03 0.00 0.00 1.04 -1.00 0.00 0.00 179.01 179.02 1y79 n GLN 631 N -2.93 4.19 0.00 2.33 1.13 -0.69 -4.94 117.38 116.47 1y79 n GLN 631 Ca 0.01 -3.02 0.00 0.00 -1.94 0.00 0.00 57.00 52.04 1y79 n GLN 631 Cb 0.28 -2.09 0.00 0.00 0.11 0.00 0.00 30.24 28.54 1y79 n GLN 631 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1y79 n GLY 632 N 0.39 2.62 2.50 1.08 0.00 -1.13 -4.89 105.19 105.76 1y79 n GLY 632 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1y79 n GLY 632 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y79 n GLY 633 N -1.75 0.83 3.57 -0.02 0.00 0.30 -4.77 105.19 103.35 1y79 n GLY 633 Ca 0.00 -1.38 -0.31 0.00 0.00 0.00 0.00 46.02 44.33 1y79 n GLY 633 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1y79 s LEU 634 N 0.00 3.26 0.05 0.99 2.96 -1.26 -4.77 118.68 119.90 1y79 s LEU 634 Ca 0.00 -1.19 0.01 0.00 -0.22 0.00 0.00 54.13 52.73 1y79 s LEU 634 Cb 0.00 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.09 1y79 s LEU 634 CO 0.00 -2.46 -0.06 0.42 -1.32 0.00 0.00 176.35 172.93 1y79 s THR 635 N 8.87 0.43 0.30 3.68 -4.23 -1.26 -4.94 115.64 118.50 1y79 s THR 635 Ca 0.64 -1.26 -0.00 0.00 -1.18 0.00 0.00 61.69 59.89 1y79 s THR 635 Cb -0.03 -0.80 0.20 0.00 1.34 0.00 0.00 72.50 73.20 1y79 s THR 635 CO 0.01 -0.56 1.89 0.03 -0.54 0.00 0.00 174.62 175.46 1y79 h ARG 636 N 4.14 0.85 -0.36 3.99 2.47 -1.72 -1.80 114.38 121.95 1y79 h ARG 636 Ca -0.35 -0.12 -0.01 0.00 -1.26 0.00 0.00 59.98 58.24 1y79 h ARG 636 Cb 1.19 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 29.34 1y79 h ARG 636 CO 0.47 0.68 0.18 0.93 0.56 0.00 0.00 179.97 182.80 1y79 h GLU 637 N 0.84 0.51 -0.47 0.04 4.39 -1.90 0.20 114.58 118.19 1y79 h GLU 637 Ca 0.20 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.78 1y79 h GLU 637 Cb 0.14 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1y79 h GLU 637 CO -0.02 0.44 0.09 -0.91 -1.16 0.00 0.00 179.01 177.44 1y79 h ASN 638 N 0.45 0.74 -0.80 1.42 2.35 -1.76 -2.05 115.58 115.93 1y79 h ASN 638 Ca 0.12 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 1y79 h ASN 638 Cb 0.09 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.22 1y79 h ASN 638 CO -0.02 0.80 0.46 1.23 -1.65 0.00 0.00 177.43 178.25 1y79 h GLY 639 N 0.64 1.18 0.99 2.83 0.00 -1.13 0.12 103.07 107.70 1y79 h GLY 639 Ca 0.14 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1y79 h GLY 639 CO 0.01 0.50 0.20 -2.00 0.00 0.00 0.00 176.54 175.25 1y79 h LEU 640 N 1.11 0.38 -0.48 3.11 6.46 -0.81 0.35 115.31 125.42 1y79 h LEU 640 Ca 0.28 -0.04 -0.07 0.00 -0.12 0.00 0.00 57.88 57.93 1y79 h LEU 640 Cb -0.00 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 39.81 1y79 h LEU 640 CO -0.05 0.31 0.02 -0.09 -0.62 0.00 0.00 178.44 178.01 1y79 h ARG 641 N 0.42 0.84 -0.73 1.25 1.12 -0.92 0.34 114.38 116.71 1y79 h ARG 641 Ca 0.12 -0.26 -0.04 0.00 -1.11 0.00 0.00 59.98 58.69 1y79 h ARG 641 Cb -0.01 -0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 29.84 1y79 h ARG 641 CO -0.02 0.88 0.31 0.35 -3.11 0.00 0.00 179.97 178.38 1y79 h PHE 642 N 0.70 1.09 -0.33 2.20 -0.00 -0.43 0.12 116.94 120.30 1y79 h PHE 642 Ca 0.14 -0.07 -0.02 0.00 -0.00 0.00 0.00 57.97 58.02 1y79 h PHE 642 Cb 0.49 -0.33 -0.01 0.00 -0.00 0.00 0.00 35.95 36.09 1y79 h PHE 642 CO 0.04 0.83 0.14 -0.09 -0.00 0.00 0.00 178.31 179.22 1y79 h ARG 643 N 1.04 0.50 -0.28 1.11 2.43 0.04 -0.63 114.38 118.58 1y79 h ARG 643 Ca 0.25 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 1y79 h ARG 643 Cb 0.18 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1y79 h ARG 643 CO -0.02 0.49 -0.06 0.93 -1.51 0.00 0.00 179.97 179.79 1y79 h GLU 644 N 0.39 0.54 -0.00 0.20 5.08 0.08 -1.71 114.58 119.16 1y79 h GLU 644 Ca 0.11 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1y79 h GLU 644 Cb 0.18 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1y79 h GLU 644 CO -0.01 0.74 -0.49 0.00 -1.00 0.00 0.00 179.01 178.25 1y79 n ALA 645 N -2.40 3.54 0.09 3.43 0.00 0.40 -4.64 120.51 120.94 1y79 n ALA 645 Ca -0.03 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1y79 n ALA 645 Cb 0.31 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1y79 n ALA 645 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1y79 n ILE 646 N -1.30 0.26 0.02 0.00 2.08 -0.27 -4.80 119.36 115.35 1y79 n ILE 646 Ca 0.07 0.09 0.00 0.00 0.56 0.00 0.00 62.75 63.47 1y79 n ILE 646 Cb 0.34 -0.67 0.32 0.00 -0.75 0.00 0.00 39.64 38.88 1y79 n ILE 646 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1y79 h LEU 647 N 0.00 0.45 -0.11 1.39 3.38 -1.53 -2.61 115.31 116.28 1y79 h LEU 647 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1y79 h LEU 647 Cb 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1y79 h LEU 647 CO 0.00 0.52 -0.10 -1.54 0.09 0.00 0.00 178.44 177.41 1y79 n SER 648 N -4.29 0.28 0.11 -0.43 3.41 -0.64 -4.01 113.62 108.05 1y79 n SER 648 Ca 0.01 -0.26 0.01 0.00 -0.26 0.00 0.00 58.87 58.38 1y79 n SER 648 Cb 0.24 -0.16 -0.01 0.00 -0.26 0.00 0.00 64.21 64.01 1y79 n SER 648 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1y79 h ARG 649 N 0.28 0.00 0.00 4.33 2.47 -1.71 -2.71 114.38 117.04 1y79 h ARG 649 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1y79 h ARG 649 Cb 0.38 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 1y79 h ARG 649 CO 0.00 0.46 0.00 0.41 0.56 0.00 0.00 179.97 181.40 1y79 n GLY 650 N 1.28 2.35 1.98 0.04 0.00 -1.26 -1.83 105.19 107.76 1y79 n GLY 650 Ca -0.01 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 1y79 n GLY 650 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1y79 n ASN 651 N -0.22 4.47 0.06 1.61 5.15 0.11 -4.63 115.26 121.81 1y79 n ASN 651 Ca 0.00 -3.71 -0.07 0.00 -0.60 0.00 0.00 54.58 50.20 1y79 n ASN 651 Cb 0.00 -0.79 0.07 0.00 -0.53 0.00 0.00 39.78 38.53 1y79 n ASN 651 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1y79 h SER 652 N 1.32 0.39 -2.97 1.20 4.64 -1.51 -3.47 113.55 113.15 1y79 h SER 652 Ca 0.51 -0.24 -0.49 0.00 -0.47 0.00 0.00 61.79 61.11 1y79 h SER 652 Cb 2.00 -0.11 -0.14 0.00 -0.31 0.00 0.00 62.40 63.83 1y79 h SER 652 CO 1.03 0.93 -0.70 -1.61 -0.87 0.00 0.00 176.83 175.61 1y79 s GLU 653 N -3.72 1.49 -0.08 4.77 2.02 -1.26 -4.72 118.70 117.19 1y79 s GLU 653 Ca -0.05 -1.72 -0.35 0.00 0.02 0.00 0.00 54.97 52.87 1y79 s GLU 653 Cb 0.11 -1.18 -0.13 0.00 0.10 0.00 0.00 34.13 33.03 1y79 s GLU 653 CO 0.82 0.11 1.80 -3.47 0.02 0.00 0.00 175.26 174.54 1y79 n ASP 654 N -0.52 3.19 0.03 -0.19 2.03 -1.26 -4.83 116.55 115.00 1y79 n ASP 654 Ca -0.06 1.01 -0.04 0.00 0.52 0.00 0.00 54.79 56.22 1y79 n ASP 654 Cb 0.62 -1.34 0.19 0.00 -0.72 0.00 0.00 41.12 39.88 1y79 n ASP 654 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1y79 h LEU 655 N 8.32 0.46 0.16 -2.67 3.38 -1.96 0.45 115.31 123.45 1y79 h LEU 655 Ca -0.48 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.32 1y79 h LEU 655 Cb 1.28 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1y79 h LEU 655 CO 0.94 0.74 -0.08 -0.08 0.09 0.00 0.00 178.44 180.05 1y79 h GLU 656 N 0.39 -0.21 -0.52 1.13 4.81 -2.00 0.12 114.58 118.31 1y79 h GLU 656 Ca 0.05 0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 1y79 h GLU 656 Cb 0.72 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 1y79 h GLU 656 CO 0.06 -0.03 -0.03 -0.09 -0.73 0.00 0.00 179.01 178.19 1y79 h ARG 657 N -0.35 0.91 -0.67 1.92 2.43 -1.92 -1.84 114.38 114.86 1y79 h ARG 657 Ca -0.02 -0.28 0.04 0.00 -0.81 0.00 0.00 59.98 58.90 1y79 h ARG 657 Cb 0.28 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.69 1y79 h ARG 657 CO 0.04 0.92 0.41 1.25 -1.51 0.00 0.00 179.97 181.07 1y79 h LEU 658 N 0.83 0.65 -0.16 3.80 5.85 0.30 0.12 115.31 126.70 1y79 h LEU 658 Ca 0.15 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 1y79 h LEU 658 Cb 0.54 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 1y79 h LEU 658 CO 0.03 0.44 -0.04 0.22 -0.34 0.00 0.00 178.44 178.75 1y79 h TYR 659 N 0.78 0.35 -0.90 1.25 3.20 -0.48 -2.52 116.97 118.65 1y79 h TYR 659 Ca 0.28 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 1y79 h TYR 659 Cb 0.06 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.20 1y79 h TYR 659 CO -0.05 0.59 0.55 -0.09 -1.64 0.00 0.00 178.16 177.52 1y79 h ARG 660 N 0.02 1.21 -0.41 1.82 2.43 -1.01 0.28 114.38 118.72 1y79 h ARG 660 Ca 0.04 -0.10 0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1y79 h ARG 660 Cb 0.48 -0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 1y79 h ARG 660 CO 0.02 0.84 0.18 0.37 -1.51 0.00 0.00 179.97 179.87 1y79 h GLN 661 N 1.24 0.36 -0.15 0.20 4.15 -0.70 0.72 115.11 120.94 1y79 h GLN 661 Ca 0.32 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.61 1y79 h GLN 661 Cb -0.07 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.54 1y79 h GLN 661 CO -0.06 0.24 -0.36 2.35 -1.93 0.00 0.00 178.83 179.07 1y79 h TRP 662 N 0.38 0.65 -0.24 3.99 7.01 -0.98 -3.27 115.95 123.48 1y79 h TRP 662 Ca 0.18 -0.25 -0.09 0.00 2.11 0.00 0.00 58.89 60.84 1y79 h TRP 662 Cb 0.11 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.04 1y79 h TRP 662 CO -0.12 0.99 -0.23 -0.09 -2.79 0.00 0.00 178.44 176.19 1y79 h ARG 663 N 0.12 0.45 0.00 2.65 1.12 -0.21 -3.47 114.38 115.05 1y79 h ARG 663 Ca -0.00 -0.16 0.00 0.00 -1.11 0.00 0.00 59.98 58.70 1y79 h ARG 663 Cb 0.97 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.90 1y79 h ARG 663 CO 0.08 0.66 0.00 0.41 -3.11 0.00 0.00 179.97 178.01 1y79 n GLY 664 N -0.44 3.25 3.64 2.80 0.00 0.25 -4.97 105.19 109.73 1y79 n GLY 664 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1y79 n GLY 664 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y79 s LYS 665 N -0.73 1.47 0.60 1.61 -2.85 -1.21 -4.98 119.74 113.64 1y79 s LYS 665 Ca 0.00 -0.70 -0.19 0.00 -1.00 0.00 0.00 55.97 54.08 1y79 s LYS 665 Cb 0.00 0.57 -0.03 0.00 -2.06 0.00 0.00 37.83 36.31 1y79 s LYS 665 CO 0.00 -0.66 1.23 0.00 0.10 0.00 0.00 175.35 176.02 1y79 s ALA 666 N -3.74 2.54 0.46 0.59 0.00 -1.26 -4.66 121.76 115.68 1y79 s ALA 666 Ca 0.07 1.07 -0.24 0.00 0.00 0.00 0.00 51.96 52.86 1y79 s ALA 666 Cb -0.03 -3.48 -0.07 0.00 0.00 0.00 0.00 23.12 19.54 1y79 s ALA 666 CO -0.03 -1.25 1.25 -1.25 0.00 0.00 0.00 175.76 174.48 1y79 s PRO 667 N -3.30 3.71 0.20 0.00 0.04 -1.26 -5.03 135.00 129.36 1y79 s PRO 667 Ca 0.78 1.99 0.08 0.00 0.04 0.00 0.00 61.00 63.89 1y79 s PRO 667 Cb -0.32 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 31.67 1y79 s PRO 667 CO 0.35 -0.65 -0.01 0.15 0.04 0.00 0.00 177.00 176.88 1y79 s LYS 668 N -2.57 2.35 0.13 4.56 1.02 -1.26 -5.04 119.74 118.93 1y79 s LYS 668 Ca 0.63 -1.20 0.24 0.00 0.02 0.00 0.00 55.97 55.65 1y79 s LYS 668 Cb -0.34 -2.29 0.31 0.00 -0.52 0.00 0.00 37.83 34.99 1y79 s LYS 668 CO 0.42 0.43 1.29 0.97 -0.92 0.00 0.00 175.35 177.54 1y79 h ILE 669 N 2.32 0.00 -0.69 2.17 2.10 -1.96 -3.39 117.51 118.06 1y79 h ILE 669 Ca -0.46 -0.53 0.12 0.00 1.08 0.00 0.00 64.86 65.07 1y79 h ILE 669 Cb 1.22 1.10 -0.09 0.00 -1.09 0.00 0.00 36.82 37.96 1y79 h ILE 669 CO 0.58 0.00 0.26 -0.03 -1.08 0.00 0.00 178.15 177.88 1y79 h MET 670 N 0.00 0.40 -0.96 2.19 4.05 -1.96 -1.31 114.93 117.35 1y79 h MET 670 Ca 0.00 -0.02 0.11 0.00 -0.28 0.00 0.00 59.70 59.51 1y79 h MET 670 Cb 0.77 -0.09 -0.08 0.00 -0.80 0.00 0.00 31.60 31.39 1y79 h MET 670 CO 0.00 0.26 0.59 -1.35 0.23 0.00 0.00 176.91 176.64 1y79 h PRO 671 N 0.41 0.92 -0.16 0.39 0.11 -1.90 -0.54 132.00 131.23 1y79 h PRO 671 Ca 0.37 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.39 1y79 h PRO 671 Cb 0.53 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 1y79 h PRO 671 CO -0.37 0.61 -0.02 1.98 -0.21 0.00 0.00 178.00 179.99 1y79 h MET 672 N 0.95 0.30 -0.85 1.05 1.85 -1.56 0.25 114.93 116.92 1y79 h MET 672 Ca 0.47 -0.10 0.12 0.00 -0.61 0.00 0.00 59.70 59.57 1y79 h MET 672 Cb 0.44 -0.02 -0.08 0.00 0.43 0.00 0.00 31.60 32.36 1y79 h MET 672 CO -0.26 0.54 0.47 -0.07 -0.40 0.00 0.00 176.91 177.20 1y79 h LEU 673 N 0.03 0.63 -0.14 3.39 3.38 -0.25 0.20 115.31 122.56 1y79 h LEU 673 Ca 0.04 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1y79 h LEU 673 Cb 0.42 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1y79 h LEU 673 CO 0.01 0.32 -0.25 1.56 0.09 0.00 0.00 178.44 180.17 1y79 h GLN 674 N 0.73 0.41 -0.19 1.13 4.20 -0.96 0.35 115.11 120.79 1y79 h GLN 674 Ca 0.44 -0.26 -0.14 0.00 0.06 0.00 0.00 58.65 58.76 1y79 h GLN 674 Cb 0.51 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1y79 h GLN 674 CO -0.30 0.85 -0.46 1.25 -0.67 0.00 0.00 178.83 179.50 1y79 h HIS 675 N 0.01 0.57 -0.28 2.96 2.76 -0.21 -3.16 115.15 117.80 1y79 h HIS 675 Ca 0.01 -0.18 0.00 0.00 -2.20 0.00 0.00 60.37 58.00 1y79 h HIS 675 Cb 0.83 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.67 1y79 h HIS 675 CO 0.10 0.85 0.00 0.54 -1.30 0.00 0.00 177.93 178.12 1y79 n ARG 676 N -4.00 2.12 -3.08 5.26 5.12 0.63 -4.95 116.66 117.76 1y79 n ARG 676 Ca -0.02 -1.69 -0.13 0.00 -1.93 0.00 0.00 57.85 54.08 1y79 n ARG 676 Cb 0.54 -1.45 0.04 0.00 -1.16 0.00 0.00 32.46 30.43 1y79 n ARG 676 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1y79 n GLY 677 N 1.31 0.16 0.19 -0.13 0.00 -0.96 -4.77 105.19 100.99 1y79 n GLY 677 Ca 0.17 -0.18 0.02 0.00 0.00 0.00 0.00 46.02 46.03 1y79 n GLY 677 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1y79 n LEU 678 N -2.90 2.07 -0.60 0.99 4.77 0.12 -4.61 117.00 116.84 1y79 n LEU 678 Ca 0.00 -1.78 0.06 0.00 -0.03 0.00 0.00 56.01 54.27 1y79 n LEU 678 Cb 0.53 -0.06 0.20 0.00 -2.33 0.00 0.00 43.42 41.76 1y79 n LEU 678 CO 0.34 0.51 0.66 -3.20 -1.33 0.00 0.00 177.39 174.37 1y79 n ASN 679 N -0.10 1.75 -0.50 -1.43 5.15 -0.76 -4.83 115.26 114.55 1y79 n ASN 679 Ca 0.03 -1.94 0.14 0.00 -0.60 0.00 0.00 54.58 52.21 1y79 n ASN 679 Cb 0.26 -0.20 0.51 0.00 -0.53 0.00 0.00 39.78 39.82 1y79 n ASN 679 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28