#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jb0 s THR 2 N 0.00 4.23 0.21 0.00 -4.23 -0.96 -5.01 115.64 109.88 1jb0 s THR 2 Ca 0.00 -1.10 0.12 0.00 -1.18 0.00 0.00 61.69 59.53 1jb0 s THR 2 Cb 0.00 -3.46 -0.02 0.00 1.34 0.00 0.00 72.50 70.37 1jb0 s THR 2 CO 0.00 -0.21 1.58 0.11 -0.54 0.00 0.00 174.62 175.56 1jb0 h LYS 3 N 1.06 0.00 -5.46 3.99 1.57 -2.02 -3.44 116.57 112.27 1jb0 h LYS 3 Ca -0.47 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.70 1jb0 h LYS 3 Cb 1.25 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.46 1jb0 h LYS 3 CO 0.56 0.62 -0.42 0.12 -0.57 0.00 0.00 179.45 179.76 1jb0 s PHE 4 N -3.45 3.48 0.13 -1.35 5.36 -1.26 -2.55 117.98 118.34 1jb0 s PHE 4 Ca -0.00 0.50 -0.23 0.00 -0.96 0.00 0.00 56.93 56.23 1jb0 s PHE 4 Cb 0.12 -2.19 -0.07 0.00 -0.34 0.00 0.00 43.02 40.53 1jb0 s PHE 4 CO 0.76 0.38 0.70 -1.25 -1.46 0.00 0.00 175.22 174.34 1jb0 s PRO 5 N 0.05 4.43 0.43 10.12 0.04 -1.26 -4.48 135.00 144.33 1jb0 s PRO 5 Ca 0.13 1.00 0.11 0.00 0.04 0.00 0.00 61.00 62.28 1jb0 s PRO 5 Cb -0.12 -3.25 0.94 0.00 0.04 0.00 0.00 34.50 32.11 1jb0 s PRO 5 CO 0.02 0.60 2.02 -0.22 0.04 0.00 0.00 177.00 179.46 1jb0 h LYS 6 N 4.39 0.25 -0.04 4.56 3.64 -1.86 -2.97 116.57 124.54 1jb0 h LYS 6 Ca -0.48 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 1jb0 h LYS 6 Cb 1.21 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1jb0 h LYS 6 CO 0.65 0.27 0.00 1.97 -2.27 0.00 0.00 179.45 180.07 1jb0 n PHE 7 N -4.40 0.04 -3.32 1.91 1.16 -1.26 -4.77 117.46 106.82 1jb0 n PHE 7 Ca -0.00 -0.02 -0.07 0.00 -1.87 0.00 0.00 57.45 55.48 1jb0 n PHE 7 Cb 0.16 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 37.96 1jb0 n PHE 7 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 1jb0 s SER 8 N -1.87 0.06 0.41 5.98 0.15 -1.12 -0.87 113.70 116.43 1jb0 s SER 8 Ca 0.38 0.22 0.17 0.00 0.70 0.00 0.00 55.95 57.42 1jb0 s SER 8 Cb 0.20 1.25 0.89 0.00 -1.71 0.00 0.00 66.02 66.64 1jb0 s SER 8 CO 0.32 -0.30 1.88 1.56 1.20 0.00 0.00 173.24 177.90 1jb0 h GLN 9 N 8.16 0.00 -0.69 5.44 1.08 -1.86 -1.26 115.11 125.98 1jb0 h GLN 9 Ca -0.18 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 56.96 1jb0 h GLN 9 Cb 1.15 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.55 1jb0 h GLN 9 CO 0.27 0.30 0.21 -0.44 -0.95 0.00 0.00 178.83 178.22 1jb0 h ASP 10 N 0.00 1.00 -0.16 1.46 3.32 -1.95 -2.03 116.42 118.06 1jb0 h ASP 10 Ca -0.00 -0.21 -0.13 0.00 0.02 0.00 0.00 57.03 56.71 1jb0 h ASP 10 Cb 0.59 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1jb0 h ASP 10 CO 0.04 0.95 -0.40 -0.07 -1.72 0.00 0.00 179.24 178.04 1jb0 h LEU 11 N 1.01 0.63 -1.89 1.55 3.38 -1.83 -3.06 115.31 115.11 1jb0 h LEU 11 Ca 0.22 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1jb0 h LEU 11 Cb 0.30 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1jb0 h LEU 11 CO -0.01 1.09 0.02 0.00 0.09 0.00 0.00 178.44 179.64 1jb0 h ALA 12 N 0.56 1.02 -0.01 1.53 0.00 -1.02 0.48 119.26 121.81 1jb0 h ALA 12 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jb0 h ALA 12 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1jb0 h ALA 12 CO 0.09 -0.02 -0.53 1.04 0.00 0.00 0.00 179.25 179.83 1jb0 n GLN 13 N -2.51 1.11 -2.20 0.00 6.02 -0.78 -2.27 117.38 116.75 1jb0 n GLN 13 Ca -0.02 -0.87 -0.43 0.00 -0.01 0.00 0.00 57.00 55.68 1jb0 n GLN 13 Cb 0.07 -1.47 -0.02 0.00 1.02 0.00 0.00 30.24 29.84 1jb0 n GLN 13 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1jb0 s ASP 14 N -2.50 6.73 0.00 1.08 -1.08 0.16 -4.89 116.67 116.16 1jb0 s ASP 14 Ca 0.17 1.88 0.26 0.00 -0.52 0.00 0.00 52.55 54.34 1jb0 s ASP 14 Cb 0.17 -2.54 1.42 0.00 -1.46 0.00 0.00 42.92 40.52 1jb0 s ASP 14 CO 0.60 -0.92 1.93 -0.81 0.52 0.00 0.00 175.17 176.49 1jb0 n PRO 15 N 7.02 1.17 -3.31 4.34 -0.04 -1.26 -4.73 135.00 138.19 1jb0 n PRO 15 Ca 0.16 -0.25 -0.21 0.00 -0.04 0.00 0.00 63.50 63.15 1jb0 n PRO 15 Cb 0.44 -1.42 0.03 0.00 -0.04 0.00 0.00 33.50 32.51 1jb0 n PRO 15 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1jb0 s THR 16 N -1.98 2.13 0.37 0.52 -4.23 -1.26 -1.36 115.64 109.83 1jb0 s THR 16 Ca 0.39 -1.16 0.30 0.00 -1.18 0.00 0.00 61.69 60.03 1jb0 s THR 16 Cb 0.19 -2.29 0.31 0.00 1.34 0.00 0.00 72.50 72.05 1jb0 s THR 16 CO 0.31 0.00 2.07 0.71 -0.54 0.00 0.00 174.62 177.16 1jb0 h THR 17 N 0.45 0.44 -0.74 3.99 1.35 -1.51 -2.54 112.91 114.34 1jb0 h THR 17 Ca -0.34 -0.54 0.17 0.00 -0.55 0.00 0.00 66.41 65.16 1jb0 h THR 17 Cb 1.29 1.37 -0.05 0.00 -1.73 0.00 0.00 68.15 69.04 1jb0 h THR 17 CO 0.47 0.10 0.51 -0.09 -0.25 0.00 0.00 175.52 176.26 1jb0 h ARG 18 N 0.00 0.28 -0.34 4.72 2.43 -1.88 -2.30 114.38 117.28 1jb0 h ARG 18 Ca -0.00 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.22 1jb0 h ARG 18 Cb 0.36 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.78 1jb0 h ARG 18 CO 0.01 0.18 -0.13 -0.09 -1.51 0.00 0.00 179.97 178.44 1jb0 h ARG 19 N 0.28 -0.06 0.13 0.20 2.43 -1.74 -0.81 114.38 114.81 1jb0 h ARG 19 Ca 0.37 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.53 1jb0 h ARG 19 Cb 1.02 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1jb0 h ARG 19 CO -0.09 -0.04 -0.06 0.82 -1.51 0.00 0.00 179.97 179.08 1jb0 h ILE 20 N -0.06 0.95 0.21 1.20 2.04 -1.63 -0.71 117.51 119.50 1jb0 h ILE 20 Ca 0.17 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.73 1jb0 h ILE 20 Cb 0.32 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.51 1jb0 h ILE 20 CO -0.38 0.08 -0.38 -0.50 0.00 0.00 0.00 178.15 176.96 1jb0 h TRP 21 N -0.33 -1.05 -0.44 1.37 -0.00 -1.51 -1.35 115.95 112.65 1jb0 h TRP 21 Ca -0.02 0.02 -0.04 0.00 -0.00 0.00 0.00 58.89 58.85 1jb0 h TRP 21 Cb 0.26 0.43 -0.02 0.00 -0.00 0.00 0.00 29.16 29.83 1jb0 h TRP 21 CO -0.02 -0.50 0.09 1.88 -0.00 0.00 0.00 178.44 179.89 1jb0 h TYR 22 N -0.67 0.67 -0.69 0.49 -1.99 -1.18 -0.80 116.97 112.80 1jb0 h TYR 22 Ca 0.01 -0.05 0.02 0.00 2.00 0.00 0.00 58.73 60.71 1jb0 h TYR 22 Cb 0.66 -0.20 -0.04 0.00 2.00 0.00 0.00 36.73 39.15 1jb0 h TYR 22 CO -0.29 0.59 0.44 0.00 -0.00 0.00 0.00 178.16 178.90 1jb0 h ALA 23 N 1.46 0.90 -0.49 3.88 0.00 -0.72 -0.54 119.26 123.75 1jb0 h ALA 23 Ca 0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1jb0 h ALA 23 Cb 0.27 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1jb0 h ALA 23 CO -0.00 0.24 0.15 0.82 0.00 0.00 0.00 179.25 180.45 1jb0 h ILE 24 N 0.88 1.23 0.00 0.00 2.04 -0.55 -2.04 117.51 119.06 1jb0 h ILE 24 Ca 0.27 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.32 1jb0 h ILE 24 Cb -0.02 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1jb0 h ILE 24 CO -0.09 0.28 -0.21 0.00 0.00 0.00 0.00 178.15 178.13 1jb0 h ALA 25 N 1.01 1.15 -0.02 1.87 0.00 -0.66 -3.18 119.26 119.44 1jb0 h ALA 25 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jb0 h ALA 25 Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1jb0 h ALA 25 CO -0.00 0.26 -0.22 -1.33 0.00 0.00 0.00 179.25 177.96 1jb0 n MET 26 N -3.56 1.57 -0.30 0.00 2.81 -0.26 -4.63 117.12 112.76 1jb0 n MET 26 Ca -0.01 -1.08 0.09 0.00 -1.81 0.00 0.00 57.70 54.89 1jb0 n MET 26 Cb 0.36 -1.30 0.25 0.00 -0.71 0.00 0.00 33.22 31.81 1jb0 n MET 26 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1jb0 h ALA 27 N 3.07 1.31 -0.01 3.04 0.00 -1.34 -1.85 119.26 123.47 1jb0 h ALA 27 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1jb0 h ALA 27 Cb 0.62 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1jb0 h ALA 27 CO 0.00 -0.19 -0.16 0.72 0.00 0.00 0.00 179.25 179.62 1jb0 n HIS 28 N -4.95 0.00 -1.39 0.00 8.25 -1.26 -4.41 115.22 111.46 1jb0 n HIS 28 Ca 0.19 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.25 1jb0 n HIS 28 Cb 0.51 -0.05 -0.02 0.00 1.12 0.00 0.00 29.99 31.55 1jb0 n HIS 28 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1jb0 n ASP 29 N -0.09 7.43 -0.37 0.41 2.03 -0.70 -4.77 116.55 120.50 1jb0 n ASP 29 Ca 0.15 -2.63 0.29 0.00 0.52 0.00 0.00 54.79 53.12 1jb0 n ASP 29 Cb 0.39 -1.56 0.55 0.00 -0.72 0.00 0.00 41.12 39.77 1jb0 n ASP 29 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 1jb0 h PHE 30 N 5.31 0.75 -0.75 -0.67 0.05 -1.80 -0.80 116.94 119.03 1jb0 h PHE 30 Ca 0.79 0.03 0.08 0.00 3.82 0.00 0.00 57.97 62.69 1jb0 h PHE 30 Cb 0.37 -0.19 -0.05 0.00 2.00 0.00 0.00 35.95 38.07 1jb0 h PHE 30 CO 1.78 -0.20 0.49 0.93 -0.18 0.00 0.00 178.31 181.14 1jb0 h GLU 31 N 0.21 0.70 -0.59 1.51 5.08 -1.96 -2.16 114.58 117.37 1jb0 h GLU 31 Ca 0.76 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 59.08 1jb0 h GLU 31 Cb 2.03 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 31.12 1jb0 h GLU 31 CO -0.53 0.47 0.00 -1.13 -1.00 0.00 0.00 179.01 176.82 1jb0 n SER 32 N -4.49 3.12 -4.77 1.42 3.41 -0.30 -4.81 113.62 107.20 1jb0 n SER 32 Ca 0.12 -2.26 -0.39 0.00 -0.26 0.00 0.00 58.87 56.08 1jb0 n SER 32 Cb 0.28 -0.45 -0.06 0.00 -0.26 0.00 0.00 64.21 63.73 1jb0 n SER 32 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1jb0 s HIS 33 N -1.71 3.79 0.07 7.33 3.76 -0.82 -4.96 115.29 122.75 1jb0 s HIS 33 Ca 0.32 1.83 -0.37 0.00 -0.15 0.00 0.00 55.06 56.69 1jb0 s HIS 33 Cb 0.20 -3.00 -0.17 0.00 1.11 0.00 0.00 32.58 30.73 1jb0 s HIS 33 CO 0.16 0.20 1.33 -0.25 -0.85 0.00 0.00 174.74 175.33 1jb0 n ASP 34 N 0.99 1.56 -0.20 1.40 8.00 -0.05 -1.40 116.55 126.85 1jb0 n ASP 34 Ca 0.00 1.12 -0.03 0.00 0.71 0.00 0.00 54.79 56.59 1jb0 n ASP 34 Cb 0.48 -1.17 -0.01 0.00 -0.02 0.00 0.00 41.12 40.40 1jb0 n ASP 34 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jb0 n GLY 35 N 2.50 0.49 3.73 0.44 0.00 -1.26 -4.97 105.19 106.12 1jb0 n GLY 35 Ca 0.19 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1jb0 n GLY 35 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1jb0 s MET 36 N -1.47 4.23 0.29 1.61 0.00 -0.50 -5.01 119.30 118.45 1jb0 s MET 36 Ca 0.00 2.34 0.09 0.00 0.00 0.00 0.00 55.69 58.12 1jb0 s MET 36 Cb 0.00 -3.13 -0.04 0.00 0.00 0.00 0.00 34.83 31.66 1jb0 s MET 36 CO 0.00 -0.52 0.02 0.95 0.00 0.00 0.00 175.02 175.47 1jb0 s THR 37 N 0.57 3.23 0.16 10.11 -4.23 -1.26 -5.03 115.64 119.19 1jb0 s THR 37 Ca 0.65 -1.89 -0.14 0.00 -1.18 0.00 0.00 61.69 59.13 1jb0 s THR 37 Cb -0.43 -2.85 0.05 0.00 1.34 0.00 0.00 72.50 70.61 1jb0 s THR 37 CO 0.38 -0.31 1.77 -0.08 -0.54 0.00 0.00 174.62 175.84 1jb0 h GLU 38 N 1.81 0.73 -0.59 3.99 4.81 -2.00 -1.64 114.58 121.70 1jb0 h GLU 38 Ca -0.44 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 58.67 1jb0 h GLU 38 Cb 1.25 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 1jb0 h GLU 38 CO 0.62 0.57 0.24 1.49 -0.73 0.00 0.00 179.01 181.19 1jb0 h GLU 39 N 0.70 0.88 -0.26 1.92 4.81 -1.99 -2.49 114.58 118.15 1jb0 h GLU 39 Ca 0.18 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1jb0 h GLU 39 Cb 0.05 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 1jb0 h GLU 39 CO -0.03 0.76 -0.06 -0.91 -0.73 0.00 0.00 179.01 178.03 1jb0 h ASN 40 N 0.82 0.39 0.26 1.04 2.35 -1.92 -2.12 115.58 116.40 1jb0 h ASN 40 Ca 0.20 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1jb0 h ASN 40 Cb 0.20 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1jb0 h ASN 40 CO -0.02 0.51 -0.22 0.25 -1.65 0.00 0.00 177.43 176.30 1jb0 h LEU 41 N 0.40 -0.56 -0.49 1.61 5.85 -0.86 -0.32 115.31 120.93 1jb0 h LEU 41 Ca 0.08 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.86 1jb0 h LEU 41 Cb 0.37 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1jb0 h LEU 41 CO 0.02 -0.33 0.32 1.88 -0.34 0.00 0.00 178.44 179.99 1jb0 h TYR 42 N -0.49 0.60 -0.29 1.25 -1.99 -1.28 -1.38 116.97 113.38 1jb0 h TYR 42 Ca -0.01 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.68 1jb0 h TYR 42 Cb 0.44 -0.20 -0.02 0.00 2.00 0.00 0.00 36.73 38.95 1jb0 h TYR 42 CO -0.13 0.37 -0.05 1.96 -0.00 0.00 0.00 178.16 180.31 1jb0 h GLN 43 N 0.64 0.46 -0.23 4.88 4.20 -1.16 -0.56 115.11 123.35 1jb0 h GLN 43 Ca 0.19 -0.11 -0.14 0.00 0.06 0.00 0.00 58.65 58.65 1jb0 h GLN 43 Cb -0.05 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 1jb0 h GLN 43 CO -0.05 0.53 -0.39 -0.22 -0.67 0.00 0.00 178.83 178.02 1jb0 h LYS 44 N 0.44 0.67 0.54 1.46 3.64 -0.67 -2.65 116.57 120.00 1jb0 h LYS 44 Ca 0.09 -0.41 -0.02 0.00 -1.27 0.00 0.00 60.65 59.04 1jb0 h LYS 44 Cb 0.36 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1jb0 h LYS 44 CO 0.02 1.03 -0.44 0.82 -2.27 0.00 0.00 179.45 178.60 1jb0 h ILE 45 N 0.38 0.11 -0.74 2.00 1.08 -0.81 0.51 117.51 120.05 1jb0 h ILE 45 Ca 0.02 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.63 1jb0 h ILE 45 Cb 0.98 0.11 -0.14 0.00 -3.07 0.00 0.00 36.82 34.71 1jb0 h ILE 45 CO 0.09 0.00 -0.25 0.15 -0.69 0.00 0.00 178.15 177.45 1jb0 h PHE 46 N -0.97 -0.60 -0.47 1.37 3.57 -1.15 0.21 116.94 118.90 1jb0 h PHE 46 Ca -0.06 0.07 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 1jb0 h PHE 46 Cb 0.82 0.38 -0.02 0.00 2.79 0.00 0.00 35.95 39.93 1jb0 h PHE 46 CO -0.19 -0.35 -0.09 0.00 -2.23 0.00 0.00 178.31 175.45 1jb0 h ALA 47 N 1.53 0.96 -0.25 2.41 0.00 -1.20 -1.92 119.26 120.79 1jb0 h ALA 47 Ca 0.33 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1jb0 h ALA 47 Cb 0.56 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1jb0 h ALA 47 CO -0.78 0.62 0.06 0.77 0.00 0.00 0.00 179.25 179.92 1jb0 h SER 48 N 0.76 0.32 -0.63 0.00 0.02 0.16 -2.51 113.55 111.67 1jb0 h SER 48 Ca 0.13 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 1jb0 h SER 48 Cb 0.58 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 1jb0 h SER 48 CO 0.04 0.32 0.04 0.45 -1.14 0.00 0.00 176.83 176.54 1jb0 h HIS 49 N 0.35 1.16 -0.75 3.45 -0.00 -0.03 -1.06 115.15 118.27 1jb0 h HIS 49 Ca 0.09 -0.19 -0.03 0.00 -0.00 0.00 0.00 60.37 60.24 1jb0 h HIS 49 Cb 0.13 -0.31 -0.03 0.00 -0.00 0.00 0.00 27.41 27.20 1jb0 h HIS 49 CO 0.00 1.01 0.35 0.74 -0.00 0.00 0.00 177.93 180.03 1jb0 h PHE 50 N 0.98 1.10 -0.69 2.45 -1.00 -1.13 0.74 116.94 119.39 1jb0 h PHE 50 Ca 0.18 -0.06 -0.02 0.00 2.81 0.00 0.00 57.97 60.88 1jb0 h PHE 50 Cb 0.51 -0.34 -0.03 0.00 3.61 0.00 0.00 35.95 39.70 1jb0 h PHE 50 CO 0.04 0.81 0.35 0.78 -1.61 0.00 0.00 178.31 178.68 1jb0 h GLY 51 N 1.06 1.04 0.93 -1.45 0.00 -1.06 -0.69 103.07 102.91 1jb0 h GLY 51 Ca 0.26 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1jb0 h GLY 51 CO -0.03 0.47 0.14 0.84 0.00 0.00 0.00 176.54 177.96 1jb0 h HIS 52 N 0.95 0.55 -0.46 5.60 -0.00 -0.69 -2.58 115.15 118.51 1jb0 h HIS 52 Ca 0.24 -0.04 0.07 0.00 -0.00 0.00 0.00 60.37 60.63 1jb0 h HIS 52 Cb 0.08 -0.16 -0.06 0.00 -0.00 0.00 0.00 27.41 27.27 1jb0 h HIS 52 CO 0.00 0.51 0.13 -0.07 -0.00 0.00 0.00 177.93 178.50 1jb0 h LEU 53 N 0.43 0.10 -0.75 0.26 4.07 -0.49 -2.28 115.31 116.65 1jb0 h LEU 53 Ca 0.12 0.07 0.05 0.00 0.08 0.00 0.00 57.88 58.19 1jb0 h LEU 53 Cb 0.20 0.07 -0.05 0.00 1.08 0.00 0.00 40.66 41.96 1jb0 h LEU 53 CO -0.01 0.08 0.46 0.00 -1.08 0.00 0.00 178.44 177.89 1jb0 h ALA 54 N 1.33 1.00 -0.72 1.53 0.00 -0.96 -2.11 119.26 119.32 1jb0 h ALA 54 Ca 0.22 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1jb0 h ALA 54 Cb 0.26 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1jb0 h ALA 54 CO -0.26 0.20 0.43 0.82 0.00 0.00 0.00 179.25 180.45 1jb0 h ILE 55 N 0.86 1.20 -0.32 0.00 2.04 -1.02 0.59 117.51 120.85 1jb0 h ILE 55 Ca 0.32 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1jb0 h ILE 55 Cb 0.10 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 1jb0 h ILE 55 CO -0.15 0.21 0.21 0.40 0.00 0.00 0.00 178.15 178.83 1jb0 h ILE 56 N 0.98 1.09 -0.75 -0.67 2.04 -1.03 0.87 117.51 120.03 1jb0 h ILE 56 Ca 0.26 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1jb0 h ILE 56 Cb -0.03 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 1jb0 h ILE 56 CO -0.05 0.09 0.48 -0.26 0.00 0.00 0.00 178.15 178.41 1jb0 h PHE 57 N 0.44 0.96 -0.48 1.37 0.05 -0.88 -1.88 116.94 116.52 1jb0 h PHE 57 Ca 0.12 0.01 -0.10 0.00 3.82 0.00 0.00 57.97 61.82 1jb0 h PHE 57 Cb -0.04 -0.32 -0.02 0.00 2.00 0.00 0.00 35.95 37.57 1jb0 h PHE 57 CO -0.05 0.63 -0.09 -0.07 -0.18 0.00 0.00 178.31 178.54 1jb0 h LEU 58 N 1.02 0.87 -0.12 1.54 3.38 -0.44 -1.57 115.31 120.00 1jb0 h LEU 58 Ca 0.27 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1jb0 h LEU 58 Cb -0.08 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 1jb0 h LEU 58 CO -0.06 0.99 -0.04 -0.25 0.09 0.00 0.00 178.44 179.17 1jb0 h TRP 59 N 0.79 -0.08 -0.65 1.13 7.01 -0.14 -1.17 115.95 122.84 1jb0 h TRP 59 Ca 0.13 0.01 -0.08 0.00 2.11 0.00 0.00 58.89 61.07 1jb0 h TRP 59 Cb 0.61 0.06 -0.03 0.00 -2.10 0.00 0.00 29.16 27.69 1jb0 h TRP 59 CO 0.04 -0.06 0.11 0.28 -2.79 0.00 0.00 178.44 176.01 1jb0 h VAL 60 N -0.02 1.26 -0.63 2.65 2.07 -1.27 -2.00 116.25 118.31 1jb0 h VAL 60 Ca 0.06 -1.01 0.07 0.00 0.82 0.00 0.00 66.70 66.64 1jb0 h VAL 60 Cb 0.10 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1jb0 h VAL 60 CO -0.13 0.38 0.42 -1.28 0.02 0.00 0.00 177.57 176.98 1jb0 h SER 61 N 1.00 0.50 -0.05 0.57 0.87 -0.69 -1.27 113.55 114.49 1jb0 h SER 61 Ca 0.20 0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 60.59 1jb0 h SER 61 Cb 0.42 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1jb0 h SER 61 CO 0.01 0.32 -0.59 1.23 -0.53 0.00 0.00 176.83 177.27 1jb0 h GLY 62 N 0.57 0.71 0.84 5.77 0.00 -0.50 -0.75 103.07 109.71 1jb0 h GLY 62 Ca 0.28 -0.86 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 1jb0 h GLY 62 CO -0.09 0.77 0.04 1.76 0.00 0.00 0.00 176.54 179.03 1jb0 h SER 63 N 0.49 0.27 0.13 0.19 0.02 -0.94 -0.79 113.55 112.93 1jb0 h SER 63 Ca -0.00 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1jb0 h SER 63 Cb 1.16 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.63 1jb0 h SER 63 CO 0.12 0.44 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.09 1jb0 h LEU 64 N 0.10 -0.21 -0.41 5.07 3.38 -1.27 -1.75 115.31 120.22 1jb0 h LEU 64 Ca 0.06 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1jb0 h LEU 64 Cb 0.27 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1jb0 h LEU 64 CO 0.00 -0.14 0.22 0.15 0.09 0.00 0.00 178.44 178.76 1jb0 h PHE 65 N -0.21 0.40 -0.06 1.13 3.57 -1.05 0.14 116.94 120.86 1jb0 h PHE 65 Ca -0.01 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 1jb0 h PHE 65 Cb 0.18 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1jb0 h PHE 65 CO -0.09 0.22 -0.44 0.45 -2.23 0.00 0.00 178.31 176.23 1jb0 h HIS 66 N 0.44 0.17 -0.03 0.41 3.86 -1.09 0.54 115.15 119.45 1jb0 h HIS 66 Ca 0.17 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1jb0 h HIS 66 Cb 0.06 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.49 1jb0 h HIS 66 CO -0.09 0.56 -0.03 0.28 0.86 0.00 0.00 177.93 179.50 1jb0 h VAL 67 N 0.12 1.39 -0.99 2.45 2.07 -0.84 0.29 116.25 120.73 1jb0 h VAL 67 Ca 0.01 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.34 1jb0 h VAL 67 Cb 0.82 2.13 -0.05 0.00 -1.52 0.00 0.00 31.29 32.67 1jb0 h VAL 67 CO 0.06 0.32 0.66 0.00 0.02 0.00 0.00 177.57 178.63 1jb0 h ALA 68 N 0.52 1.30 0.13 1.67 0.00 -0.89 0.65 119.26 122.64 1jb0 h ALA 68 Ca 0.00 -0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.62 1jb0 h ALA 68 Cb 0.54 -0.40 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1jb0 h ALA 68 CO 0.01 0.64 -1.07 2.35 0.00 0.00 0.00 179.25 181.18 1jb0 h TRP 69 N 1.33 0.50 0.00 0.00 7.01 -0.84 -3.41 115.95 120.55 1jb0 h TRP 69 Ca 0.37 -0.37 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1jb0 h TRP 69 Cb -0.13 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 26.91 1jb0 h TRP 69 CO -0.00 1.41 0.00 1.04 -2.79 0.00 0.00 178.44 178.10 1jb0 n GLN 70 N -4.04 -0.23 -0.04 2.65 6.02 1.00 -5.06 117.38 117.67 1jb0 n GLN 70 Ca -0.19 -0.65 0.00 0.00 -0.01 0.00 0.00 57.00 56.16 1jb0 n GLN 70 Cb 0.86 -0.97 0.00 0.00 1.02 0.00 0.00 30.24 31.15 1jb0 n GLN 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jb0 n GLY 71 N -0.09 -0.13 2.62 1.08 0.00 0.23 -4.62 105.19 104.28 1jb0 n GLY 71 Ca 0.00 -1.74 -0.02 0.00 0.00 0.00 0.00 46.02 44.26 1jb0 n GLY 71 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jb0 n ASN 72 N -0.44 1.82 -0.17 1.61 6.94 -1.26 -4.93 115.26 118.82 1jb0 n ASN 72 Ca 0.00 -2.19 -0.03 0.00 -0.02 0.00 0.00 54.58 52.34 1jb0 n ASN 72 Cb 0.00 -0.45 0.07 0.00 -2.36 0.00 0.00 39.78 37.04 1jb0 n ASN 72 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 1jb0 h PHE 73 N 2.40 0.36 -0.55 -2.53 3.57 -1.93 0.15 116.94 118.42 1jb0 h PHE 73 Ca -0.10 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.36 1jb0 h PHE 73 Cb 1.35 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 1jb0 h PHE 73 CO 0.50 0.13 0.09 0.93 -2.23 0.00 0.00 178.31 177.73 1jb0 h GLU 74 N 0.40 0.87 -0.17 1.11 5.08 -1.92 0.31 114.58 120.26 1jb0 h GLU 74 Ca 0.25 -0.20 -0.16 0.00 -1.00 0.00 0.00 59.36 58.25 1jb0 h GLU 74 Cb 0.25 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1jb0 h GLU 74 CO -0.24 0.81 -0.56 1.96 -1.00 0.00 0.00 179.01 179.98 1jb0 h GLN 75 N 0.83 0.51 -0.31 2.33 7.50 -1.84 -2.93 115.11 121.20 1jb0 h GLN 75 Ca 0.17 -0.32 -0.07 0.00 0.50 0.00 0.00 58.65 58.93 1jb0 h GLN 75 Cb 0.37 0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.93 1jb0 h GLN 75 CO 0.01 0.93 -0.07 2.35 -1.50 0.00 0.00 178.83 180.54 1jb0 h TRP 76 N 0.39 0.67 -0.80 2.96 7.01 -0.08 -2.62 115.95 123.49 1jb0 h TRP 76 Ca 0.00 -0.14 0.13 0.00 2.11 0.00 0.00 58.89 60.99 1jb0 h TRP 76 Cb 1.10 -0.16 -0.06 0.00 -2.10 0.00 0.00 29.16 27.94 1jb0 h TRP 76 CO 0.04 0.78 0.52 0.28 -2.79 0.00 0.00 178.44 177.27 1jb0 h VAL 77 N 0.37 0.86 0.01 2.65 2.07 -0.35 0.13 116.25 121.99 1jb0 h VAL 77 Ca 0.08 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1jb0 h VAL 77 Cb 0.56 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1jb0 h VAL 77 CO 0.03 0.11 -0.00 -0.61 0.02 0.00 0.00 177.57 177.12 1jb0 h GLN 78 N 0.59 -0.01 -2.60 1.57 5.75 -1.32 -3.39 115.11 115.71 1jb0 h GLN 78 Ca 0.39 0.00 -0.60 0.00 -0.15 0.00 0.00 58.65 58.29 1jb0 h GLN 78 Cb 0.66 0.00 -0.39 0.00 1.07 0.00 0.00 27.48 28.82 1jb0 h GLN 78 CO -0.15 0.37 -0.86 0.34 -2.65 0.00 0.00 178.83 175.88 1jb0 s ASP 79 N -5.57 2.50 0.62 -0.69 2.15 -0.65 -4.98 116.67 110.05 1jb0 s ASP 79 Ca -0.15 -3.11 0.33 0.00 0.43 0.00 0.00 52.55 50.04 1jb0 s ASP 79 Cb 0.03 -0.74 1.84 0.00 -0.30 0.00 0.00 42.92 43.74 1jb0 s ASP 79 CO 0.67 -0.17 2.13 -0.65 -0.17 0.00 0.00 175.17 176.97 1jb0 h PRO 80 N 5.82 0.00 0.05 4.34 0.11 -0.99 -2.54 132.00 138.79 1jb0 h PRO 80 Ca 0.20 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.99 1jb0 h PRO 80 Cb 0.88 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.96 1jb0 h PRO 80 CO 0.45 0.00 -1.81 0.28 -0.21 0.00 0.00 178.00 176.70 1jb0 n VAL 81 N -3.44 1.68 0.66 3.15 0.31 -1.26 -4.44 118.33 114.99 1jb0 n VAL 81 Ca -0.00 -0.75 0.09 0.00 -0.01 0.00 0.00 64.34 63.67 1jb0 n VAL 81 Cb 0.27 -1.29 -0.11 0.00 -0.91 0.00 0.00 33.84 31.80 1jb0 n VAL 81 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1jb0 n ASN 82 N -3.20 0.83 -4.71 4.52 3.02 -1.16 -4.94 115.26 109.62 1jb0 n ASN 82 Ca -0.22 -0.72 -0.41 0.00 -0.03 0.00 0.00 54.58 53.20 1jb0 n ASN 82 Cb 1.05 1.19 -0.04 0.00 -0.61 0.00 0.00 39.78 41.36 1jb0 n ASN 82 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1jb0 s THR 83 N -2.82 4.98 -0.25 3.41 2.01 -0.97 -5.03 115.64 116.97 1jb0 s THR 83 Ca 0.04 1.63 -0.24 0.00 0.31 0.00 0.00 61.69 63.42 1jb0 s THR 83 Cb 0.13 -4.13 -0.00 0.00 0.01 0.00 0.00 72.50 68.51 1jb0 s THR 83 CO 0.74 0.20 0.83 -0.13 -0.69 0.00 0.00 174.62 175.57 1jb0 s ARG 84 N 1.04 4.17 0.23 4.92 1.81 -1.26 -4.93 118.95 124.94 1jb0 s ARG 84 Ca 0.41 0.92 -0.30 0.00 -1.72 0.00 0.00 55.73 55.04 1jb0 s ARG 84 Cb -0.18 -3.65 -0.10 0.00 -0.45 0.00 0.00 34.95 30.56 1jb0 s ARG 84 CO 0.20 -0.53 1.49 -2.14 -0.68 0.00 0.00 175.30 173.64 1jb0 s PRO 85 N 2.86 4.24 -0.20 3.54 0.02 -1.26 -4.87 135.00 139.32 1jb0 s PRO 85 Ca 0.35 2.34 -0.13 0.00 0.02 0.00 0.00 61.00 63.59 1jb0 s PRO 85 Cb -0.15 -3.11 -0.05 0.00 0.02 0.00 0.00 34.50 31.21 1jb0 s PRO 85 CO 0.08 -0.49 0.24 0.42 -0.33 0.00 0.00 177.00 176.92 1jb0 s ILE 86 N 0.29 5.32 -0.06 2.83 1.01 -1.26 -0.74 121.20 128.58 1jb0 s ILE 86 Ca 0.62 0.40 -0.19 0.00 0.00 0.00 0.00 60.65 61.49 1jb0 s ILE 86 Cb -0.43 -3.58 -0.14 0.00 0.01 0.00 0.00 42.46 38.32 1jb0 s ILE 86 CO 0.41 0.35 0.75 0.00 0.00 0.00 0.00 174.94 176.44 1jb0 h ALA 87 N 7.12 -0.21 -1.19 9.38 0.00 -0.08 -3.42 119.26 130.87 1jb0 h ALA 87 Ca -0.39 -0.22 0.37 0.00 0.00 0.00 0.00 54.91 54.67 1jb0 h ALA 87 Cb 1.16 0.08 -0.13 0.00 0.00 0.00 0.00 17.79 18.90 1jb0 h ALA 87 CO 0.72 -0.26 0.93 -3.38 0.00 0.00 0.00 179.25 177.25 1jb0 s HIS 88 N -3.10 -0.02 0.74 0.00 -3.43 -1.24 -4.16 115.29 104.08 1jb0 s HIS 88 Ca -0.11 -0.02 -0.11 0.00 -0.80 0.00 0.00 55.06 54.01 1jb0 s HIS 88 Cb 0.00 0.52 0.03 0.00 -1.43 0.00 0.00 32.58 31.70 1jb0 s HIS 88 CO 0.42 -0.12 1.07 0.00 -2.00 0.00 0.00 174.74 174.12 1jb0 s ALA 89 N -2.18 2.46 -0.06 -1.38 0.00 -1.26 -1.57 121.76 117.76 1jb0 s ALA 89 Ca 0.15 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.25 1jb0 s ALA 89 Cb 0.06 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 1jb0 s ALA 89 CO -0.06 -1.49 -0.09 0.42 0.00 0.00 0.00 175.76 174.54 1jb0 s ILE 90 N -3.00 3.55 -0.33 0.00 1.01 -0.65 -4.81 121.20 116.97 1jb0 s ILE 90 Ca 0.59 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.71 1jb0 s ILE 90 Cb -0.15 -2.44 0.14 0.00 0.01 0.00 0.00 42.46 40.02 1jb0 s ILE 90 CO 0.55 0.60 0.29 0.86 0.00 0.00 0.00 174.94 177.24 1jb0 s TRP 91 N -0.78 -0.13 -0.29 3.97 -0.11 -1.26 -4.72 118.94 115.61 1jb0 s TRP 91 Ca 0.12 -0.72 -0.02 0.00 1.22 0.00 0.00 56.10 56.69 1jb0 s TRP 91 Cb -0.11 -0.56 0.10 0.00 -1.50 0.00 0.00 33.47 31.40 1jb0 s TRP 91 CO 0.01 -0.91 0.11 0.34 -4.62 0.00 0.00 176.95 171.88 1jb0 s ASP 92 N 1.78 3.75 0.65 5.86 -1.08 -1.26 -5.01 116.67 121.37 1jb0 s ASP 92 Ca 0.13 -1.44 0.20 0.00 -0.52 0.00 0.00 52.55 50.92 1jb0 s ASP 92 Cb -0.16 -0.62 1.09 0.00 -1.46 0.00 0.00 42.92 41.77 1jb0 s ASP 92 CO -0.17 -0.42 1.61 -0.65 0.52 0.00 0.00 175.17 176.05 1jb0 h PRO 93 N 8.24 0.00 0.00 4.34 0.11 -2.04 -1.84 132.00 140.80 1jb0 h PRO 93 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1jb0 h PRO 93 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1jb0 h PRO 93 CO 0.45 0.00 -0.27 1.96 -0.21 0.00 0.00 178.00 179.93 1jb0 h GLN 94 N 0.00 0.00 -6.79 1.05 4.20 -2.06 -3.47 115.11 108.04 1jb0 h GLN 94 Ca 0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 1jb0 h GLN 94 Cb 1.08 0.00 0.15 0.00 0.30 0.00 0.00 27.48 29.00 1jb0 h GLN 94 CO 0.00 0.00 0.23 1.19 -0.67 0.00 0.00 178.83 179.58 1jb0 n PHE 95 N -2.44 1.23 -2.93 2.96 0.99 -0.70 -5.03 117.46 111.54 1jb0 n PHE 95 Ca 0.04 0.48 -0.19 0.00 -0.00 0.00 0.00 57.45 57.78 1jb0 n PHE 95 Cb 0.47 -2.22 0.02 0.00 -1.00 0.00 0.00 39.48 36.75 1jb0 n PHE 95 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1jb0 s GLY 96 N -0.96 1.88 0.27 1.37 0.00 -1.26 -4.92 107.32 103.70 1jb0 s GLY 96 Ca 0.69 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.88 1jb0 s GLY 96 CO 0.52 -1.33 1.80 0.50 0.00 0.00 0.00 173.10 174.59 1jb0 h LYS 97 N 0.48 0.79 -0.47 2.90 6.56 -1.99 -0.88 116.57 123.96 1jb0 h LYS 97 Ca -0.41 -0.05 -0.06 0.00 -1.06 0.00 0.00 60.65 59.07 1jb0 h LYS 97 Cb 1.28 -0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 32.74 1jb0 h LYS 97 CO 0.48 0.52 0.05 0.00 -2.06 0.00 0.00 179.45 178.44 1jb0 h ALA 98 N 1.54 1.22 -0.38 3.86 0.00 -1.96 0.94 119.26 124.48 1jb0 h ALA 98 Ca 0.48 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 55.01 1jb0 h ALA 98 Cb 0.57 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1jb0 h ALA 98 CO -0.30 0.53 -0.37 0.00 0.00 0.00 0.00 179.25 179.10 1jb0 h ALA 99 N 1.36 0.56 -0.69 0.00 0.00 -1.59 0.19 119.26 119.09 1jb0 h ALA 99 Ca 0.15 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1jb0 h ALA 99 Cb 0.36 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1jb0 h ALA 99 CO 0.01 0.65 0.33 0.28 0.00 0.00 0.00 179.25 180.52 1jb0 h VAL 100 N 0.74 1.22 -0.17 0.00 2.07 -0.36 -2.15 116.25 117.60 1jb0 h VAL 100 Ca 0.06 -0.62 -0.07 0.00 0.82 0.00 0.00 66.70 66.89 1jb0 h VAL 100 Cb 0.97 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1jb0 h VAL 100 CO 0.09 0.26 -0.16 0.44 0.02 0.00 0.00 177.57 178.22 1jb0 h ASP 101 N 0.97 0.44 -0.69 0.57 3.32 -0.51 -2.45 116.42 118.07 1jb0 h ASP 101 Ca 0.24 -0.48 0.10 0.00 0.02 0.00 0.00 57.03 56.91 1jb0 h ASP 101 Cb 0.10 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 1jb0 h ASP 101 CO -0.03 0.82 0.46 0.00 -1.72 0.00 0.00 179.24 178.77 1jb0 h ALA 102 N 0.63 1.91 -0.01 3.45 0.00 -0.36 -1.99 119.26 122.89 1jb0 h ALA 102 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jb0 h ALA 102 Cb 0.70 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1jb0 h ALA 102 CO 0.04 -0.06 -0.40 1.19 0.00 0.00 0.00 179.25 180.02 1jb0 n PHE 103 N -4.48 0.00 -2.66 0.00 3.01 -0.83 -4.09 117.46 108.41 1jb0 n PHE 103 Ca 0.11 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.16 1jb0 n PHE 103 Cb 0.36 -0.08 -0.03 0.00 -0.01 0.00 0.00 39.48 39.72 1jb0 n PHE 103 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1jb0 s THR 104 N -2.55 4.12 0.00 4.37 2.01 -0.75 -0.99 115.64 121.84 1jb0 s THR 104 Ca 0.20 -0.85 0.00 0.00 0.31 0.00 0.00 61.69 61.35 1jb0 s THR 104 Cb 0.18 -4.97 0.00 0.00 0.01 0.00 0.00 72.50 67.73 1jb0 s THR 104 CO 0.57 -1.81 0.00 0.00 -0.69 0.00 0.00 174.62 172.69 1jb0 n GLN 105 N 8.31 0.00 -1.83 4.92 10.64 -1.26 -4.84 117.38 133.32 1jb0 n GLN 105 Ca 0.27 0.00 -0.12 0.00 -1.83 0.00 0.00 57.00 55.32 1jb0 n GLN 105 Cb 0.50 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.85 1jb0 n GLN 105 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1jb0 n ALA 106 N -3.00 -0.45 -1.00 2.61 0.00 -1.26 -0.70 120.51 116.71 1jb0 n ALA 106 Ca 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 53.44 53.59 1jb0 n ALA 106 Cb 0.00 -1.38 -0.00 0.00 0.00 0.00 0.00 19.45 18.07 1jb0 n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jb0 n GLY 107 N -0.48 0.42 3.93 0.00 0.00 -1.26 -4.74 105.19 103.06 1jb0 n GLY 107 Ca -0.13 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 44.83 1jb0 n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jb0 s ALA 108 N -2.00 3.57 -0.55 4.61 0.00 0.13 -5.01 121.76 122.50 1jb0 s ALA 108 Ca 0.00 -0.82 0.16 0.00 0.00 0.00 0.00 51.96 51.30 1jb0 s ALA 108 Cb 0.00 -2.33 0.66 0.00 0.00 0.00 0.00 23.12 21.45 1jb0 s ALA 108 CO 0.00 -0.37 1.58 -1.13 0.00 0.00 0.00 175.76 175.84 1jb0 n SER 109 N -2.16 4.67 -3.59 0.00 3.41 -1.26 -4.48 113.62 110.22 1jb0 n SER 109 Ca 0.00 -2.73 -0.10 0.00 -0.26 0.00 0.00 58.87 55.78 1jb0 n SER 109 Cb 0.57 -0.57 -0.02 0.00 -0.26 0.00 0.00 64.21 63.92 1jb0 n SER 109 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jb0 s ASN 110 N -1.18 -0.43 0.30 4.04 4.22 -1.26 -5.10 114.94 115.54 1jb0 s ASN 110 Ca 0.47 -0.24 -0.30 0.00 -2.14 0.00 0.00 52.86 50.65 1jb0 s ASN 110 Cb 0.34 0.62 -0.12 0.00 1.28 0.00 0.00 41.25 43.37 1jb0 s ASN 110 CO 0.17 -1.07 1.45 -2.65 -2.04 0.00 0.00 177.10 172.95 1jb0 n PRO 111 N -0.39 2.36 -4.07 3.55 -0.02 -1.26 -4.36 135.00 130.81 1jb0 n PRO 111 Ca -0.13 0.83 -0.11 0.00 -2.02 0.00 0.00 63.50 62.08 1jb0 n PRO 111 Cb 0.63 -2.52 -0.06 0.00 -0.02 0.00 0.00 33.50 31.53 1jb0 n PRO 111 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1jb0 s VAL 112 N -0.46 0.00 -0.04 -1.45 -7.23 -0.17 -1.64 120.40 109.42 1jb0 s VAL 112 Ca 0.61 -1.60 0.05 0.00 -1.81 0.00 0.00 61.98 59.23 1jb0 s VAL 112 Cb -0.56 -2.36 -0.02 0.00 0.56 0.00 0.00 36.38 34.00 1jb0 s VAL 112 CO 0.55 0.00 -0.18 -1.81 -0.31 0.00 0.00 175.10 173.34 1jb0 s ASP 113 N -3.09 3.68 0.15 4.85 1.01 -0.61 -4.81 116.67 117.84 1jb0 s ASP 113 Ca 0.28 -0.30 -0.30 0.00 0.71 0.00 0.00 52.55 52.95 1jb0 s ASP 113 Cb 0.01 -0.66 -0.07 0.00 1.01 0.00 0.00 42.92 43.21 1jb0 s ASP 113 CO 0.12 0.34 0.93 -0.63 0.21 0.00 0.00 175.17 176.14 1jb0 s ILE 114 N -0.69 4.36 -0.04 0.77 -1.09 -1.26 0.61 121.20 123.86 1jb0 s ILE 114 Ca 0.11 2.04 -0.20 0.00 -2.23 0.00 0.00 60.65 60.37 1jb0 s ILE 114 Cb -0.10 -4.31 -0.05 0.00 -1.58 0.00 0.00 42.46 36.42 1jb0 s ILE 114 CO 0.00 0.39 0.56 0.00 -1.23 0.00 0.00 174.94 174.66 1jb0 s ALA 115 N -0.45 3.48 -0.07 9.38 0.00 0.08 -4.59 121.76 129.58 1jb0 s ALA 115 Ca 0.44 -0.03 0.10 0.00 0.00 0.00 0.00 51.96 52.46 1jb0 s ALA 115 Cb -0.24 -2.72 0.15 0.00 0.00 0.00 0.00 23.12 20.30 1jb0 s ALA 115 CO 0.30 0.11 1.07 0.66 0.00 0.00 0.00 175.76 177.90 1jb0 n TYR 116 N 3.06 0.00 1.01 0.00 4.02 -1.26 -4.67 117.16 119.33 1jb0 n TYR 116 Ca -0.07 -0.74 0.13 0.00 -0.01 0.00 0.00 57.90 57.22 1jb0 n TYR 116 Cb 0.51 -0.10 0.50 0.00 -0.02 0.00 0.00 39.34 40.23 1jb0 n TYR 116 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1jb0 n SER 117 N -0.96 0.18 -0.03 7.72 3.41 -1.26 -4.46 113.62 118.21 1jb0 n SER 117 Ca 0.08 0.22 -0.00 0.00 -0.26 0.00 0.00 58.87 58.90 1jb0 n SER 117 Cb 0.45 -0.24 -0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1jb0 n SER 117 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jb0 n GLY 118 N 1.49 0.44 0.25 5.00 0.00 -1.26 -4.92 105.19 106.19 1jb0 n GLY 118 Ca 0.07 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.02 1jb0 n GLY 118 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1jb0 h VAL 119 N 0.00 1.15 -0.18 1.61 -1.51 -1.94 -1.85 116.25 113.53 1jb0 h VAL 119 Ca -0.01 -0.62 -0.01 0.00 -1.23 0.00 0.00 66.70 64.83 1jb0 h VAL 119 Cb 0.20 1.09 -0.01 0.00 -2.13 0.00 0.00 31.29 30.44 1jb0 h VAL 119 CO 0.01 0.20 0.07 1.88 -1.23 0.00 0.00 177.57 178.50 1jb0 h TYR 120 N 0.25 0.27 -0.73 5.19 -1.99 -1.97 0.32 116.97 118.31 1jb0 h TYR 120 Ca 0.05 -0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.78 1jb0 h TYR 120 Cb 0.28 -0.08 -0.04 0.00 2.00 0.00 0.00 36.73 38.89 1jb0 h TYR 120 CO 0.00 0.33 0.48 0.45 -0.00 0.00 0.00 178.16 179.42 1jb0 h HIS 121 N 0.13 0.90 -0.14 4.88 3.86 -1.82 -0.42 115.15 122.54 1jb0 h HIS 121 Ca 0.06 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 1jb0 h HIS 121 Cb 0.18 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.34 1jb0 h HIS 121 CO -0.01 0.55 -0.01 2.35 0.86 0.00 0.00 177.93 181.66 1jb0 h TRP 122 N 0.96 0.27 -0.59 2.45 7.01 -1.14 -1.29 115.95 123.61 1jb0 h TRP 122 Ca 0.28 -0.05 -0.07 0.00 2.11 0.00 0.00 58.89 61.16 1jb0 h TRP 122 Cb -0.06 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 26.90 1jb0 h TRP 122 CO -0.03 0.50 0.07 -1.49 -2.79 0.00 0.00 178.44 174.70 1jb0 h TRP 123 N -0.03 1.02 0.64 2.65 6.55 -0.76 -2.65 115.95 123.37 1jb0 h TRP 123 Ca 0.04 -0.13 -0.03 0.00 0.95 0.00 0.00 58.89 59.71 1jb0 h TRP 123 Cb 0.40 -0.28 0.00 0.00 -0.86 0.00 0.00 29.16 28.41 1jb0 h TRP 123 CO 0.04 0.88 -0.35 -0.92 -1.05 0.00 0.00 178.44 177.04 1jb0 h TYR 124 N 0.90 -0.92 -0.96 0.49 3.20 -1.03 0.75 116.97 119.40 1jb0 h TYR 124 Ca 0.18 -0.01 0.18 0.00 3.14 0.00 0.00 58.73 62.21 1jb0 h TYR 124 Cb 0.42 0.32 -0.10 0.00 1.54 0.00 0.00 36.73 38.91 1jb0 h TYR 124 CO 0.03 -0.55 0.56 1.15 -1.64 0.00 0.00 178.16 177.71 1jb0 h THR 125 N -0.92 0.70 -0.03 1.81 2.02 -1.12 -0.30 112.91 115.08 1jb0 h THR 125 Ca -0.08 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.85 1jb0 h THR 125 Cb 0.73 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1jb0 h THR 125 CO 0.11 0.13 0.00 2.30 0.37 0.00 0.00 175.52 178.43 1jb0 n ILE 126 N -4.80 0.04 0.00 3.11 -5.35 -1.01 -4.83 119.36 106.51 1jb0 n ILE 126 Ca 0.22 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.59 1jb0 n ILE 126 Cb 0.54 -0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.35 1jb0 n ILE 126 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jb0 n GLY 127 N 0.99 0.82 3.74 3.28 0.00 -0.12 -3.72 105.19 110.18 1jb0 n GLY 127 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1jb0 n GLY 127 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jb0 s MET 128 N -0.35 4.60 0.00 1.61 -1.94 0.23 -4.90 119.30 118.55 1jb0 s MET 128 Ca 0.00 1.75 0.00 0.00 -1.71 0.00 0.00 55.69 55.73 1jb0 s MET 128 Cb 0.00 -3.25 0.00 0.00 2.01 0.00 0.00 34.83 33.59 1jb0 s MET 128 CO 0.00 0.11 0.00 0.54 -0.01 0.00 0.00 175.02 175.66 1jb0 n ARG 129 N 2.07 1.36 -4.44 2.03 5.12 -1.26 -4.30 116.66 117.24 1jb0 n ARG 129 Ca 0.02 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.70 1jb0 n ARG 129 Cb 0.46 -0.76 -0.10 0.00 -1.16 0.00 0.00 32.46 30.90 1jb0 n ARG 129 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1jb0 s THR 130 N -1.52 2.64 0.63 0.55 -4.23 -1.26 -4.61 115.64 107.84 1jb0 s THR 130 Ca 0.00 -2.32 0.35 0.00 -1.18 0.00 0.00 61.69 58.54 1jb0 s THR 130 Cb 0.00 -2.39 0.38 0.00 1.34 0.00 0.00 72.50 71.84 1jb0 s THR 130 CO 0.00 -0.39 2.23 0.78 -0.54 0.00 0.00 174.62 176.70 1jb0 h ASN 131 N 2.22 0.00 0.37 3.99 2.35 -1.97 0.14 115.58 122.69 1jb0 h ASN 131 Ca -0.41 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.15 1jb0 h ASN 131 Cb 1.26 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.62 1jb0 h ASN 131 CO 0.60 0.00 -0.79 1.23 -1.65 0.00 0.00 177.43 176.82 1jb0 h GLY 132 N 0.00 0.36 0.92 2.83 0.00 -1.94 -0.70 103.07 104.54 1jb0 h GLY 132 Ca 0.02 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1jb0 h GLY 132 CO -0.00 0.50 0.11 -0.55 0.00 0.00 0.00 176.54 176.60 1jb0 h ASP 133 N 0.21 0.33 -0.00 0.19 3.45 -1.13 -1.90 116.42 117.57 1jb0 h ASP 133 Ca -0.04 -0.14 0.00 0.00 0.43 0.00 0.00 57.03 57.28 1jb0 h ASP 133 Cb 1.38 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 40.07 1jb0 h ASP 133 CO 0.13 0.38 0.00 -0.07 -1.57 0.00 0.00 179.24 178.11 1jb0 h LEU 134 N 0.26 0.00 -0.71 1.55 3.38 -1.35 -2.59 115.31 115.85 1jb0 h LEU 134 Ca 0.08 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.11 1jb0 h LEU 134 Cb 0.14 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 1jb0 h LEU 134 CO -0.01 0.01 0.39 0.22 0.09 0.00 0.00 178.44 179.15 1jb0 h TYR 135 N -0.01 0.72 -0.40 1.13 3.20 -0.99 -0.67 116.97 119.95 1jb0 h TYR 135 Ca 0.00 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 1jb0 h TYR 135 Cb 0.01 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 1jb0 h TYR 135 CO -0.08 0.33 -0.00 -0.56 -1.64 0.00 0.00 178.16 176.21 1jb0 h GLN 136 N 0.71 0.64 -0.53 1.82 3.07 -1.24 -1.06 115.11 118.52 1jb0 h GLN 136 Ca 0.33 -0.15 -0.07 0.00 0.09 0.00 0.00 58.65 58.84 1jb0 h GLN 136 Cb 0.24 -0.08 -0.02 0.00 0.08 0.00 0.00 27.48 27.69 1jb0 h GLN 136 CO -0.20 0.66 0.06 0.78 0.09 0.00 0.00 178.83 180.22 1jb0 h GLY 137 N 0.91 0.97 0.99 0.06 0.00 -0.88 -0.80 103.07 104.31 1jb0 h GLY 137 Ca 0.12 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1jb0 h GLY 137 CO 0.01 0.62 0.29 0.00 0.00 0.00 0.00 176.54 177.46 1jb0 h ALA 138 N 0.97 0.64 -0.52 3.60 0.00 -0.54 -1.09 119.26 122.33 1jb0 h ALA 138 Ca 0.16 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1jb0 h ALA 138 Cb 0.45 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1jb0 h ALA 138 CO 0.02 0.15 -0.01 0.82 0.00 0.00 0.00 179.25 180.22 1jb0 h ILE 139 N 0.67 1.25 -0.54 0.00 1.08 -1.05 -1.96 117.51 116.97 1jb0 h ILE 139 Ca 0.18 -1.07 -0.08 0.00 -0.39 0.00 0.00 64.86 63.49 1jb0 h ILE 139 Cb 0.02 0.86 -0.02 0.00 -3.07 0.00 0.00 36.82 34.61 1jb0 h ILE 139 CO -0.03 0.38 0.00 0.15 -0.69 0.00 0.00 178.15 177.96 1jb0 h PHE 140 N 0.82 0.98 0.00 1.37 3.57 -0.70 -1.90 116.94 121.07 1jb0 h PHE 140 Ca 0.15 -0.15 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 1jb0 h PHE 140 Cb 0.50 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1jb0 h PHE 140 CO 0.03 0.88 -0.45 -0.07 -2.23 0.00 0.00 178.31 176.47 1jb0 h LEU 141 N 0.84 0.00 -0.72 0.59 3.38 -0.89 -0.24 115.31 118.27 1jb0 h LEU 141 Ca 0.16 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1jb0 h LEU 141 Cb 0.49 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1jb0 h LEU 141 CO 0.02 0.45 0.24 0.25 0.09 0.00 0.00 178.44 179.49 1jb0 h LEU 142 N 0.00 1.03 -0.21 1.67 5.85 -0.80 0.88 115.31 123.72 1jb0 h LEU 142 Ca -0.00 -0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.44 1jb0 h LEU 142 Cb 0.94 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 1jb0 h LEU 142 CO 0.06 0.95 -0.18 0.40 -0.34 0.00 0.00 178.44 179.33 1jb0 h ILE 143 N 1.05 1.32 -0.57 4.05 1.08 -0.70 -2.30 117.51 121.45 1jb0 h ILE 143 Ca 0.23 -1.33 -0.05 0.00 -0.39 0.00 0.00 64.86 63.33 1jb0 h ILE 143 Cb 0.28 1.71 -0.03 0.00 -3.07 0.00 0.00 36.82 35.72 1jb0 h ILE 143 CO -0.01 0.41 0.16 -0.07 -0.69 0.00 0.00 178.15 177.94 1jb0 h LEU 144 N 0.18 0.80 -0.51 1.44 3.38 -0.72 -0.07 115.31 119.82 1jb0 h LEU 144 Ca 0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1jb0 h LEU 144 Cb 0.72 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1jb0 h LEU 144 CO 0.05 0.77 0.29 0.00 0.09 0.00 0.00 178.44 179.63 1jb0 h ALA 145 N 1.34 0.65 -0.49 1.53 0.00 -0.78 -1.12 119.26 120.39 1jb0 h ALA 145 Ca 0.19 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1jb0 h ALA 145 Cb 0.27 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1jb0 h ALA 145 CO -0.01 0.16 0.24 0.77 0.00 0.00 0.00 179.25 180.42 1jb0 h SER 146 N 0.68 0.34 -0.25 0.00 0.02 -0.71 0.29 113.55 113.92 1jb0 h SER 146 Ca 0.18 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1jb0 h SER 146 Cb 0.03 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 1jb0 h SER 146 CO -0.03 0.24 0.16 -0.07 -1.14 0.00 0.00 176.83 175.99 1jb0 h LEU 147 N 0.47 0.29 -1.06 5.07 3.38 -0.57 0.12 115.31 123.01 1jb0 h LEU 147 Ca 0.22 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1jb0 h LEU 147 Cb 0.13 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1jb0 h LEU 147 CO -0.16 0.22 0.29 0.00 0.09 0.00 0.00 178.44 178.88 1jb0 h ALA 148 N 1.08 1.27 -0.20 1.53 0.00 -0.84 0.67 119.26 122.77 1jb0 h ALA 148 Ca 0.09 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1jb0 h ALA 148 Cb -0.03 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1jb0 h ALA 148 CO -0.02 0.55 -0.15 -0.07 0.00 0.00 0.00 179.25 179.57 1jb0 h LEU 149 N 0.94 0.47 -0.45 0.00 3.38 -0.62 -1.79 115.31 117.24 1jb0 h LEU 149 Ca 0.23 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1jb0 h LEU 149 Cb 0.15 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1jb0 h LEU 149 CO -0.02 0.82 0.25 0.15 0.09 0.00 0.00 178.44 179.73 1jb0 h PHE 150 N 0.13 0.62 -0.98 1.13 3.57 -0.50 -1.87 116.94 119.04 1jb0 h PHE 150 Ca 0.04 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.55 1jb0 h PHE 150 Cb 0.67 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 39.16 1jb0 h PHE 150 CO 0.07 0.46 0.65 0.00 -2.23 0.00 0.00 178.31 177.26 1jb0 h ALA 151 N 1.10 1.28 -0.63 2.41 0.00 -0.82 0.26 119.26 122.85 1jb0 h ALA 151 Ca 0.16 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1jb0 h ALA 151 Cb 0.04 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1jb0 h ALA 151 CO -0.03 0.59 0.23 0.78 0.00 0.00 0.00 179.25 180.82 1jb0 h GLY 152 N 1.29 1.03 1.06 0.00 0.00 -0.95 -0.81 103.07 104.69 1jb0 h GLY 152 Ca 0.38 -0.58 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 1jb0 h GLY 152 CO -0.10 0.54 0.06 -0.25 0.00 0.00 0.00 176.54 176.79 1jb0 h TRP 153 N 0.89 1.13 0.01 5.60 7.01 -0.53 -3.21 115.95 126.85 1jb0 h TRP 153 Ca 0.21 -0.17 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 1jb0 h TRP 153 Cb 0.24 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 26.99 1jb0 h TRP 153 CO 0.02 0.98 -0.00 1.25 -2.79 0.00 0.00 178.44 177.89 1jb0 h LEU 154 N 0.96 -0.01 -0.21 0.65 5.85 0.01 -2.82 115.31 119.75 1jb0 h LEU 154 Ca 0.18 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1jb0 h LEU 154 Cb 0.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1jb0 h LEU 154 CO 0.02 0.08 0.00 1.41 -0.34 0.00 0.00 178.44 179.61 1jb0 n HIS 155 N -5.05 0.00 0.62 1.25 8.25 -0.36 -1.19 115.22 118.73 1jb0 n HIS 155 Ca -0.07 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.46 1jb0 n HIS 155 Cb 0.07 -0.02 -0.09 0.00 1.12 0.00 0.00 29.99 31.08 1jb0 n HIS 155 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1jb0 n LEU 156 N -0.37 0.62 -4.77 2.41 4.77 -1.06 -4.03 117.00 114.57 1jb0 n LEU 156 Ca 0.00 -0.44 -0.39 0.00 -0.03 0.00 0.00 56.01 55.15 1jb0 n LEU 156 Cb 0.04 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.08 1jb0 n LEU 156 CO 0.00 0.15 0.71 -1.10 -1.33 0.00 0.00 177.39 175.82 1jb0 s GLN 157 N -2.47 4.60 0.20 3.23 -1.52 -0.33 -4.83 119.66 118.54 1jb0 s GLN 157 Ca 0.04 1.54 -0.20 0.00 -1.95 0.00 0.00 55.36 54.80 1jb0 s GLN 157 Cb 0.11 -3.00 0.15 0.00 -0.22 0.00 0.00 33.01 30.05 1jb0 s GLN 157 CO 0.61 0.25 1.45 -2.30 -0.25 0.00 0.00 175.29 175.05 1jb0 n PRO 158 N 0.89 -0.27 0.29 2.91 -0.02 -1.26 -0.65 135.00 136.90 1jb0 n PRO 158 Ca 0.00 1.44 0.19 0.00 -2.02 0.00 0.00 63.50 63.11 1jb0 n PRO 158 Cb 0.48 -2.13 0.82 0.00 -0.02 0.00 0.00 33.50 32.65 1jb0 n PRO 158 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1jb0 h LYS 159 N 0.00 0.00 -0.14 -0.52 6.56 -1.93 -3.25 116.57 117.29 1jb0 h LYS 159 Ca 0.28 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.87 1jb0 h LYS 159 Cb 0.52 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.18 1jb0 h LYS 159 CO -0.92 0.01 0.00 1.19 -2.06 0.00 0.00 179.45 177.67 1jb0 n PHE 160 N -3.11 0.20 -2.41 -1.35 3.01 0.18 -4.99 117.46 109.00 1jb0 n PHE 160 Ca -0.00 -0.52 -0.43 0.00 1.01 0.00 0.00 57.45 57.50 1jb0 n PHE 160 Cb 0.25 -0.05 -0.02 0.00 -0.01 0.00 0.00 39.48 39.65 1jb0 n PHE 160 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1jb0 s ARG 161 N -1.10 4.06 0.58 -1.08 0.52 -0.58 -4.52 118.95 116.83 1jb0 s ARG 161 Ca 0.11 1.45 -0.20 0.00 -0.52 0.00 0.00 55.73 56.57 1jb0 s ARG 161 Cb 0.06 -3.83 -0.04 0.00 0.52 0.00 0.00 34.95 31.66 1jb0 s ARG 161 CO 0.06 -0.94 1.31 -2.30 0.02 0.00 0.00 175.30 173.46 1jb0 n PRO 162 N 7.01 1.47 -2.10 3.54 -0.02 -1.26 -4.97 135.00 138.66 1jb0 n PRO 162 Ca 0.15 0.55 -0.30 0.00 -2.02 0.00 0.00 63.50 61.87 1jb0 n PRO 162 Cb 0.46 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 1jb0 n PRO 162 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1jb0 s SER 163 N -1.07 6.27 0.20 2.55 1.04 -1.26 -4.88 113.70 116.55 1jb0 s SER 163 Ca 0.75 1.32 -0.10 0.00 0.48 0.00 0.00 55.95 58.39 1jb0 s SER 163 Cb -0.41 -2.42 0.23 0.00 0.10 0.00 0.00 66.02 63.52 1jb0 s SER 163 CO 0.46 -0.77 1.78 0.25 0.98 0.00 0.00 173.24 175.94 1jb0 h LEU 164 N -0.07 0.39 -1.29 2.42 5.85 -1.93 -1.59 115.31 119.08 1jb0 h LEU 164 Ca -0.45 0.05 0.13 0.00 0.84 0.00 0.00 57.88 58.45 1jb0 h LEU 164 Cb 1.19 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.14 1jb0 h LEU 164 CO 0.62 0.25 0.57 0.77 -0.34 0.00 0.00 178.44 180.30 1jb0 h SER 165 N 0.53 0.67 -0.79 1.25 4.64 -1.98 -0.16 113.55 117.70 1jb0 h SER 165 Ca 0.28 0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.61 1jb0 h SER 165 Cb 0.24 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.20 1jb0 h SER 165 CO -0.22 0.35 0.39 -0.25 -0.87 0.00 0.00 176.83 176.23 1jb0 h TRP 166 N 0.71 1.14 0.00 4.77 7.01 -1.67 -2.50 115.95 125.41 1jb0 h TRP 166 Ca 0.43 -0.05 -0.09 0.00 2.11 0.00 0.00 58.89 61.29 1jb0 h TRP 166 Cb 0.65 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 27.35 1jb0 h TRP 166 CO -0.00 0.82 -0.45 0.74 -2.79 0.00 0.00 178.44 176.77 1jb0 h PHE 167 N 1.12 0.00 -0.15 2.65 -1.00 -0.88 -3.04 116.94 115.65 1jb0 h PHE 167 Ca 0.27 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.05 1jb0 h PHE 167 Cb 0.11 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.67 1jb0 h PHE 167 CO 0.01 0.45 0.00 1.63 -1.61 0.00 0.00 178.31 178.79 1jb0 n LYS 168 N -3.97 1.86 -2.29 1.51 5.02 -0.85 -4.72 118.16 114.72 1jb0 n LYS 168 Ca -0.02 -1.28 -0.34 0.00 -2.02 0.00 0.00 58.31 54.65 1jb0 n LYS 168 Cb 0.47 -1.44 -0.04 0.00 -0.02 0.00 0.00 35.03 34.01 1jb0 n LYS 168 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1jb0 s ASN 169 N -1.70 5.80 0.07 4.39 3.84 -1.03 -4.81 114.94 121.50 1jb0 s ASN 169 Ca 0.34 -1.82 -0.31 0.00 0.21 0.00 0.00 52.86 51.29 1jb0 s ASN 169 Cb 0.19 -2.58 -0.18 0.00 -0.55 0.00 0.00 41.25 38.13 1jb0 s ASN 169 CO 0.29 -2.25 1.65 0.00 -2.79 0.00 0.00 177.10 174.01 1jb0 h ALA 170 N 9.15 -0.72 -0.90 1.71 0.00 -1.90 -3.08 119.26 123.53 1jb0 h ALA 170 Ca 0.28 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.15 1jb0 h ALA 170 Cb 0.93 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 1jb0 h ALA 170 CO 1.32 -0.90 0.58 0.93 0.00 0.00 0.00 179.25 181.18 1jb0 h GLU 171 N -0.72 0.82 -0.34 0.00 4.39 -1.87 -0.78 114.58 116.08 1jb0 h GLU 171 Ca -0.07 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.48 1jb0 h GLU 171 Cb 0.55 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 1jb0 h GLU 171 CO 0.12 0.54 -0.18 1.03 -1.16 0.00 0.00 179.01 179.36 1jb0 h SER 172 N 0.84 0.62 -0.12 1.42 0.87 -1.80 -2.32 113.55 113.06 1jb0 h SER 172 Ca 0.43 -0.20 -0.07 0.00 -1.23 0.00 0.00 61.79 60.72 1jb0 h SER 172 Cb 0.49 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1jb0 h SER 172 CO -0.19 0.81 -0.21 -0.09 -0.53 0.00 0.00 176.83 176.62 1jb0 h ARG 173 N 0.56 0.35 -0.24 2.24 2.43 -1.09 -2.18 114.38 116.46 1jb0 h ARG 173 Ca 0.09 -0.22 0.04 0.00 -0.81 0.00 0.00 59.98 59.08 1jb0 h ARG 173 Cb 0.62 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.16 1jb0 h ARG 173 CO 0.04 0.80 0.00 -0.07 -1.51 0.00 0.00 179.97 179.24 1jb0 h LEU 174 N -0.06 -0.09 -0.25 3.80 3.38 -1.28 0.28 115.31 121.08 1jb0 h LEU 174 Ca 0.01 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1jb0 h LEU 174 Cb 0.78 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 1jb0 h LEU 174 CO 0.05 -0.01 -0.03 0.78 0.09 0.00 0.00 178.44 179.32 1jb0 h ASN 175 N 0.08 -0.16 0.36 -0.43 4.21 -1.44 0.33 115.58 118.53 1jb0 h ASN 175 Ca 0.11 0.07 -0.09 0.00 1.21 0.00 0.00 56.30 57.59 1jb0 h ASN 175 Cb 0.14 0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.46 1jb0 h ASN 175 CO -0.19 -0.05 -0.42 0.45 -1.29 0.00 0.00 177.43 175.93 1jb0 h HIS 176 N 0.04 0.09 0.17 1.19 3.86 -1.01 -1.67 115.15 117.82 1jb0 h HIS 176 Ca 0.12 -0.02 -0.25 0.00 -1.16 0.00 0.00 60.37 59.06 1jb0 h HIS 176 Cb 0.17 -0.02 0.03 0.00 1.06 0.00 0.00 27.41 28.65 1jb0 h HIS 176 CO -0.22 0.48 -1.07 0.45 0.86 0.00 0.00 177.93 178.43 1jb0 h HIS 177 N 0.06 0.76 0.39 2.45 3.86 0.08 0.22 115.15 122.96 1jb0 h HIS 177 Ca 0.00 -0.53 -0.02 0.00 -1.16 0.00 0.00 60.37 58.66 1jb0 h HIS 177 Cb 0.77 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.20 1jb0 h HIS 177 CO 0.00 1.40 -0.19 -0.07 0.86 0.00 0.00 177.93 179.94 1jb0 h LEU 178 N -0.10 -0.44 0.09 2.43 3.38 -0.37 0.60 115.31 120.90 1jb0 h LEU 178 Ca -0.18 -0.11 -0.29 0.00 0.09 0.00 0.00 57.88 57.39 1jb0 h LEU 178 Cb 1.82 0.11 0.03 0.00 0.09 0.00 0.00 40.66 42.72 1jb0 h LEU 178 CO 0.20 -0.13 -1.22 0.00 0.09 0.00 0.00 178.44 177.39 1jb0 h ALA 179 N -0.28 0.02 -2.38 1.53 0.00 -1.28 0.32 119.26 117.19 1jb0 h ALA 179 Ca -0.05 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1jb0 h ALA 179 Cb 0.52 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1jb0 h ALA 179 CO 0.09 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.45 1jb0 n GLY 180 N 1.33 0.71 0.31 0.00 0.00 0.68 -0.35 105.19 107.88 1jb0 n GLY 180 Ca -0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.00 1jb0 n GLY 180 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jb0 h LEU 181 N 0.00 -0.19 0.00 0.99 5.85 -1.18 -1.91 115.31 118.87 1jb0 h LEU 181 Ca 0.00 0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.88 1jb0 h LEU 181 Cb 0.00 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1jb0 h LEU 181 CO 0.00 -0.21 -0.79 0.49 -0.34 0.00 0.00 178.44 177.59 1jb0 n PHE 182 N -5.31 0.77 0.08 1.25 0.99 0.19 -3.99 117.46 111.43 1jb0 n PHE 182 Ca 0.20 0.33 -0.05 0.00 -0.00 0.00 0.00 57.45 57.93 1jb0 n PHE 182 Cb 0.65 -0.80 -0.03 0.00 -1.00 0.00 0.00 39.48 38.30 1jb0 n PHE 182 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1jb0 h GLY 183 N -1.00 -0.95 1.93 1.37 0.00 -0.69 -0.84 103.07 102.88 1jb0 h GLY 183 Ca -0.09 0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.63 1jb0 h GLY 183 CO -0.05 -0.32 -0.15 -2.08 0.00 0.00 0.00 176.54 173.94 1jb0 h VAL 184 N -0.29 1.14 -0.26 4.60 2.07 0.12 -1.05 116.25 122.58 1jb0 h VAL 184 Ca -0.02 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 1jb0 h VAL 184 Cb 0.26 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 1jb0 h VAL 184 CO -0.04 0.19 -0.06 0.28 0.02 0.00 0.00 177.57 177.97 1jb0 h SER 185 N 0.09 0.50 -0.75 0.57 0.02 -1.43 0.43 113.55 112.98 1jb0 h SER 185 Ca 0.02 -0.36 -0.02 0.00 -0.84 0.00 0.00 61.79 60.58 1jb0 h SER 185 Cb 0.32 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 1jb0 h SER 185 CO 0.02 0.75 0.37 -1.28 -1.14 0.00 0.00 176.83 175.55 1jb0 h SER 186 N 0.25 0.97 -0.60 3.07 0.87 -0.77 0.20 113.55 117.54 1jb0 h SER 186 Ca 0.07 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1jb0 h SER 186 Cb 0.52 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.21 1jb0 h SER 186 CO 0.02 0.82 0.35 0.25 -0.53 0.00 0.00 176.83 177.74 1jb0 h LEU 187 N 1.05 0.74 -0.94 2.23 5.85 -1.05 -0.29 115.31 122.90 1jb0 h LEU 187 Ca 0.26 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 1jb0 h LEU 187 Cb 0.10 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1jb0 h LEU 187 CO -0.04 0.60 0.19 0.00 -0.34 0.00 0.00 178.44 178.86 1jb0 h ALA 188 N 1.17 1.15 -0.50 1.25 0.00 -0.05 -1.59 119.26 120.68 1jb0 h ALA 188 Ca 0.21 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1jb0 h ALA 188 Cb 0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1jb0 h ALA 188 CO -0.04 0.59 -0.07 2.35 0.00 0.00 0.00 179.25 182.08 1jb0 h TRP 189 N 0.93 0.98 -0.26 0.00 -0.00 -0.04 -1.40 115.95 116.16 1jb0 h TRP 189 Ca 0.21 -0.18 0.05 0.00 -0.00 0.00 0.00 58.89 58.97 1jb0 h TRP 189 Cb 0.28 -0.25 -0.04 0.00 -0.00 0.00 0.00 29.16 29.14 1jb0 h TRP 189 CO 0.02 0.92 -0.03 0.00 -0.00 0.00 0.00 178.44 179.35 1jb0 h ALA 190 N 1.10 0.20 -1.00 2.65 0.00 -0.40 0.20 119.26 122.02 1jb0 h ALA 190 Ca 0.14 0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.26 1jb0 h ALA 190 Cb 0.58 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.44 1jb0 h ALA 190 CO 0.04 -0.44 0.62 0.78 0.00 0.00 0.00 179.25 180.24 1jb0 h GLY 191 N 0.04 1.64 0.62 0.00 0.00 -0.71 -0.53 103.07 104.13 1jb0 h GLY 191 Ca 0.12 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 1jb0 h GLY 191 CO -0.23 0.14 -0.03 0.84 0.00 0.00 0.00 176.54 177.26 1jb0 h HIS 192 N 0.97 -0.07 -0.91 5.60 6.17 0.01 -0.49 115.15 126.43 1jb0 h HIS 192 Ca 0.50 -0.00 0.14 0.00 0.71 0.00 0.00 60.37 61.71 1jb0 h HIS 192 Cb 0.52 0.02 -0.09 0.00 2.52 0.00 0.00 27.41 30.38 1jb0 h HIS 192 CO -0.01 0.30 0.52 -0.07 0.71 0.00 0.00 177.93 179.38 1jb0 h LEU 193 N -0.45 0.70 -0.05 0.26 3.38 -0.13 0.23 115.31 119.25 1jb0 h LEU 193 Ca -0.01 0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 1jb0 h LEU 193 Cb 0.40 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.11 1jb0 h LEU 193 CO 0.01 0.33 -0.50 0.40 0.09 0.00 0.00 178.44 178.77 1jb0 h ILE 194 N 0.77 1.41 0.00 1.22 2.04 -1.07 0.20 117.51 122.08 1jb0 h ILE 194 Ca 0.48 -1.92 0.00 0.00 1.00 0.00 0.00 64.86 64.42 1jb0 h ILE 194 Cb 0.59 2.41 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 1jb0 h ILE 194 CO -0.32 0.56 -0.35 0.45 0.00 0.00 0.00 178.15 178.50 1jb0 h HIS 195 N -0.05 0.00 0.00 1.37 3.86 -0.87 -3.39 115.15 116.07 1jb0 h HIS 195 Ca -0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1jb0 h HIS 195 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 1jb0 h HIS 195 CO 0.13 0.00 0.00 0.28 0.86 0.00 0.00 177.93 179.20 1jb0 n VAL 196 N -2.87 0.53 -0.07 2.45 0.31 0.77 -4.69 118.33 114.76 1jb0 n VAL 196 Ca 0.03 0.18 -0.08 0.00 -0.01 0.00 0.00 64.34 64.45 1jb0 n VAL 196 Cb 0.53 -1.01 -0.02 0.00 -0.91 0.00 0.00 33.84 32.43 1jb0 n VAL 196 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jb0 h ALA 197 N 0.00 -0.19 0.13 3.52 0.00 -1.34 -1.25 119.26 120.13 1jb0 h ALA 197 Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1jb0 h ALA 197 Cb 0.00 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1jb0 h ALA 197 CO 0.00 -0.72 -0.06 0.82 0.00 0.00 0.00 179.25 179.29 1jb0 h ILE 198 N -0.28 0.95 -0.61 0.00 2.04 -0.84 -1.48 117.51 117.30 1jb0 h ILE 198 Ca 0.15 -0.31 0.10 0.00 1.00 0.00 0.00 64.86 65.79 1jb0 h ILE 198 Cb 0.52 1.15 -0.07 0.00 -0.74 0.00 0.00 36.82 37.67 1jb0 h ILE 198 CO -0.46 0.08 0.22 -0.65 0.00 0.00 0.00 178.15 177.34 1jb0 h PRO 199 N -0.32 0.38 0.00 2.37 0.11 -1.70 -1.55 132.00 131.28 1jb0 h PRO 199 Ca -0.02 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 1jb0 h PRO 199 Cb 0.26 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 1jb0 h PRO 199 CO 0.03 0.25 -0.24 0.93 -0.21 0.00 0.00 178.00 178.76 1jb0 h GLU 200 N 0.39 0.00 0.00 1.05 4.39 -0.58 0.14 114.58 119.97 1jb0 h GLU 200 Ca 0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.01 1jb0 h GLU 200 Cb 0.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1jb0 h GLU 200 CO -0.31 0.24 0.00 -1.13 -1.16 0.00 0.00 179.01 176.65 1jb0 n SER 201 N -3.72 0.51 -1.24 1.42 3.41 -0.56 -2.48 113.62 110.94 1jb0 n SER 201 Ca -0.01 0.58 0.07 0.00 -0.26 0.00 0.00 58.87 59.24 1jb0 n SER 201 Cb 0.35 -0.70 0.30 0.00 -0.26 0.00 0.00 64.21 63.90 1jb0 n SER 201 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1jb0 n ARG 202 N -2.01 3.49 -0.99 4.33 1.74 -0.41 0.61 116.66 123.43 1jb0 n ARG 202 Ca 0.05 -2.96 0.00 0.00 -0.77 0.00 0.00 57.85 54.16 1jb0 n ARG 202 Cb 0.32 -1.99 0.00 0.00 -1.02 0.00 0.00 32.46 29.77 1jb0 n ARG 202 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jb0 n GLY 203 N -0.20 0.38 3.50 -0.13 0.00 -0.93 -2.82 105.19 104.99 1jb0 n GLY 203 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 1jb0 n GLY 203 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1jb0 s GLN 204 N -0.53 3.72 -0.15 1.61 0.74 -0.10 -4.84 119.66 120.11 1jb0 s GLN 204 Ca 0.00 -0.46 -0.27 0.00 0.05 0.00 0.00 55.36 54.68 1jb0 s GLN 204 Cb 0.00 -3.19 -0.01 0.00 1.10 0.00 0.00 33.01 30.91 1jb0 s GLN 204 CO 0.00 0.03 0.91 -1.58 -0.55 0.00 0.00 175.29 174.09 1jb0 s HIS 205 N 1.01 3.44 -0.15 1.67 5.65 -1.26 -1.99 115.29 123.66 1jb0 s HIS 205 Ca 0.03 1.38 0.00 0.00 0.25 0.00 0.00 55.06 56.73 1jb0 s HIS 205 Cb -0.14 -3.09 0.02 0.00 -1.18 0.00 0.00 32.58 28.19 1jb0 s HIS 205 CO 0.02 -0.26 -0.13 0.08 -0.65 0.00 0.00 174.74 173.81 1jb0 s VAL 206 N 2.20 1.53 0.18 0.89 1.01 -1.26 -4.99 120.40 119.96 1jb0 s VAL 206 Ca 0.42 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1jb0 s VAL 206 Cb -0.17 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 1jb0 s VAL 206 CO 0.13 0.43 0.09 0.61 0.00 0.00 0.00 175.10 176.36 1jb0 n GLY 207 N 4.78 3.65 0.24 4.51 0.00 -1.26 -4.89 105.19 112.22 1jb0 n GLY 207 Ca -0.16 -1.94 0.06 0.00 0.00 0.00 0.00 46.02 43.97 1jb0 n GLY 207 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1jb0 h TRP 208 N 1.37 0.05 0.00 1.61 4.06 -2.00 0.37 115.95 121.41 1jb0 h TRP 208 Ca -0.14 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.81 1jb0 h TRP 208 Cb 0.57 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.71 1jb0 h TRP 208 CO 0.00 0.14 0.00 0.38 -3.56 0.00 0.00 178.44 175.40 1jb0 h ASP 209 N 0.05 0.00 0.00 -3.49 2.03 -2.01 -3.36 116.42 109.64 1jb0 h ASP 209 Ca 0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 1jb0 h ASP 209 Cb 0.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.69 1jb0 h ASP 209 CO 0.01 0.00 0.00 -0.46 -1.03 0.00 0.00 179.24 177.76 1jb0 n ASN 210 N -2.81 0.00 -0.26 4.15 0.23 -0.71 -4.89 115.26 110.97 1jb0 n ASN 210 Ca -0.00 0.00 0.33 0.00 -0.53 0.00 0.00 54.58 54.38 1jb0 n ASN 210 Cb 0.20 0.00 0.72 0.00 -2.08 0.00 0.00 39.78 38.62 1jb0 n ASN 210 CO 0.00 0.00 0.00 2.19 -0.93 0.00 0.00 177.26 178.52 1jb0 h PHE 211 N 0.00 0.00 0.00 -2.53 -5.15 -0.44 0.41 116.94 109.23 1jb0 h PHE 211 Ca 0.00 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.72 1jb0 h PHE 211 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.16 1jb0 h PHE 211 CO 0.00 0.00 -0.25 -0.07 -2.00 0.00 0.00 178.31 175.99 1jb0 h LEU 212 N 0.00 0.00 -3.45 2.10 3.38 -1.83 -3.28 115.31 112.24 1jb0 h LEU 212 Ca 0.51 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.29 1jb0 h LEU 212 Cb 2.21 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.84 1jb0 h LEU 212 CO -0.01 0.25 0.06 -1.54 0.09 0.00 0.00 178.44 177.29 1jb0 n SER 213 N -3.21 3.06 -3.67 -0.43 3.41 0.14 -4.92 113.62 108.00 1jb0 n SER 213 Ca 0.02 -3.57 -0.13 0.00 -0.26 0.00 0.00 58.87 54.93 1jb0 n SER 213 Cb 0.58 -0.65 -0.13 0.00 -0.26 0.00 0.00 64.21 63.75 1jb0 n SER 213 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1jb0 s THR 214 N -3.16 -0.38 0.39 6.66 -4.23 -1.14 -5.09 115.64 108.69 1jb0 s THR 214 Ca 0.46 0.25 -0.24 0.00 -1.18 0.00 0.00 61.69 60.98 1jb0 s THR 214 Cb 0.41 -0.45 -0.09 0.00 1.34 0.00 0.00 72.50 73.70 1jb0 s THR 214 CO 0.04 0.11 1.04 -0.04 -0.54 0.00 0.00 174.62 175.23 1jb0 s MET 215 N 2.28 4.23 0.48 3.99 1.00 -1.26 -4.88 119.30 125.13 1jb0 s MET 215 Ca -0.00 1.51 0.27 0.00 0.00 0.00 0.00 55.69 57.46 1jb0 s MET 215 Cb -0.12 -2.60 0.69 0.00 0.00 0.00 0.00 34.83 32.81 1jb0 s MET 215 CO -0.09 -0.08 1.74 -1.35 0.00 0.00 0.00 175.02 175.24 1jb0 h PRO 216 N 2.63 0.00 -3.53 2.03 0.11 -1.94 -3.44 132.00 127.86 1jb0 h PRO 216 Ca -0.48 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.38 1jb0 h PRO 216 Cb 1.21 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 32.02 1jb0 h PRO 216 CO 0.63 0.00 -0.68 -1.58 -0.21 0.00 0.00 178.00 176.16 1jb0 s HIS 217 N -3.36 -0.04 0.12 0.65 2.46 -1.26 -4.90 115.29 108.95 1jb0 s HIS 217 Ca 0.05 0.18 -0.08 0.00 0.47 0.00 0.00 55.06 55.68 1jb0 s HIS 217 Cb 0.06 -0.09 0.13 0.00 -0.13 0.00 0.00 32.58 32.56 1jb0 s HIS 217 CO 0.63 -0.07 0.75 -2.30 -2.47 0.00 0.00 174.74 171.28 1jb0 n PRO 218 N 3.62 -0.11 -3.13 2.88 -0.02 -1.26 -1.30 135.00 135.70 1jb0 n PRO 218 Ca -0.20 0.75 -0.21 0.00 -2.02 0.00 0.00 63.50 61.83 1jb0 n PRO 218 Cb 0.55 -1.11 -0.03 0.00 -0.02 0.00 0.00 33.50 32.88 1jb0 n PRO 218 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jb0 n ALA 219 N -3.75 2.74 -2.10 3.55 0.00 -1.26 -5.06 120.51 114.63 1jb0 n ALA 219 Ca 0.05 -3.76 -0.30 0.00 0.00 0.00 0.00 53.44 49.43 1jb0 n ALA 219 Cb 0.20 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 1jb0 n ALA 219 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1jb0 s GLY 220 N -2.67 1.88 0.00 0.00 0.00 -0.42 -4.23 107.32 101.88 1jb0 s GLY 220 Ca 0.42 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.98 1jb0 s GLY 220 CO -0.10 0.05 0.00 -0.10 0.00 0.00 0.00 173.10 172.95 1jb0 n LEU 221 N -1.61 0.00 0.05 0.66 7.94 -1.26 -4.80 117.00 117.97 1jb0 n LEU 221 Ca 0.03 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.82 1jb0 n LEU 221 Cb 0.54 0.00 -0.08 0.00 0.53 0.00 0.00 43.42 44.41 1jb0 n LEU 221 CO 0.49 0.00 0.44 0.00 -1.11 0.00 0.00 177.39 177.21 1jb0 h ALA 222 N 0.00 -0.20 -0.17 1.96 0.00 -2.01 -2.85 119.26 116.00 1jb0 h ALA 222 Ca 0.00 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.72 1jb0 h ALA 222 Cb 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1jb0 h ALA 222 CO 0.00 -0.31 0.15 -1.35 0.00 0.00 0.00 179.25 177.74 1jb0 h PRO 223 N -0.80 0.00 0.13 0.00 0.11 -1.85 -0.58 132.00 129.01 1jb0 h PRO 223 Ca -0.02 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 1jb0 h PRO 223 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 1jb0 h PRO 223 CO 0.03 0.00 -0.06 0.35 -0.21 0.00 0.00 178.00 178.11 1jb0 h PHE 224 N 0.00 -0.16 0.07 0.65 3.57 -1.79 0.93 116.94 120.22 1jb0 h PHE 224 Ca 0.08 -0.00 -0.27 0.00 3.53 0.00 0.00 57.97 61.30 1jb0 h PHE 224 Cb 0.38 0.05 0.03 0.00 2.79 0.00 0.00 35.95 39.19 1jb0 h PHE 224 CO 0.00 0.01 -1.11 0.74 -2.23 0.00 0.00 178.31 175.72 1jb0 h PHE 225 N -0.29 0.98 0.00 0.41 -1.00 -1.14 -3.19 116.94 112.71 1jb0 h PHE 225 Ca -0.02 -0.58 0.00 0.00 2.81 0.00 0.00 57.97 60.18 1jb0 h PHE 225 Cb 0.23 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 39.70 1jb0 h PHE 225 CO -0.03 1.42 0.00 0.25 -1.61 0.00 0.00 178.31 178.34 1jb0 n THR 226 N -3.87 0.00 -0.60 -1.55 -2.24 -0.29 -4.85 114.28 100.88 1jb0 n THR 226 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1jb0 n THR 226 Cb 0.92 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1jb0 n THR 226 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jb0 n GLY 227 N 0.18 1.59 2.45 3.38 0.00 -0.86 -4.93 105.19 107.01 1jb0 n GLY 227 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1jb0 n GLY 227 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jb0 n ASN 228 N 0.00 7.57 0.28 1.61 4.13 0.27 -4.69 115.26 124.43 1jb0 n ASN 228 Ca 0.00 -2.76 0.13 0.00 1.68 0.00 0.00 54.58 53.63 1jb0 n ASN 228 Cb 0.00 -1.53 0.81 0.00 -1.54 0.00 0.00 39.78 37.52 1jb0 n ASN 228 CO 0.00 0.00 0.00 -0.50 0.28 0.00 0.00 177.26 177.04 1jb0 h TRP 229 N 5.14 0.00 0.00 3.10 6.55 -1.89 -2.83 115.95 126.01 1jb0 h TRP 229 Ca 0.76 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.60 1jb0 h TRP 229 Cb 0.37 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.67 1jb0 h TRP 229 CO 1.72 0.03 0.00 0.78 -1.05 0.00 0.00 178.44 179.93 1jb0 h GLY 230 N 0.18 0.00 2.00 1.49 0.00 -1.92 -1.95 103.07 102.87 1jb0 h GLY 230 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1jb0 h GLY 230 CO 0.00 0.00 -0.18 -2.08 0.00 0.00 0.00 176.54 174.28 1jb0 h VAL 231 N 0.00 0.72 0.00 4.60 2.07 -1.90 -1.20 116.25 120.53 1jb0 h VAL 231 Ca 0.00 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1jb0 h VAL 231 Cb 0.18 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1jb0 h VAL 231 CO 0.00 0.18 0.00 -1.22 0.02 0.00 0.00 177.57 176.55 1jb0 n TYR 232 N -3.71 0.29 0.11 1.57 0.53 -0.73 -2.32 117.16 112.89 1jb0 n TYR 232 Ca -0.02 0.09 0.10 0.00 -1.02 0.00 0.00 57.90 57.06 1jb0 n TYR 232 Cb 0.30 -0.65 0.21 0.00 -1.03 0.00 0.00 39.34 38.17 1jb0 n TYR 232 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1jb0 n ALA 233 N -1.59 2.38 -1.00 -0.72 0.00 -0.46 -1.65 120.51 117.47 1jb0 n ALA 233 Ca 0.05 -1.04 0.00 0.00 0.00 0.00 0.00 53.44 52.45 1jb0 n ALA 233 Cb 0.31 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1jb0 n ALA 233 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jb0 n GLN 234 N 1.30 2.65 -1.99 0.00 1.13 -0.98 -4.49 117.38 115.00 1jb0 n GLN 234 Ca 0.18 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.81 1jb0 n GLN 234 Cb 0.55 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.88 1jb0 n GLN 234 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1jb0 s ASN 235 N -2.86 5.90 0.53 1.08 4.22 -1.26 -4.72 114.94 117.82 1jb0 s ASN 235 Ca 0.00 1.33 0.00 0.00 -2.14 0.00 0.00 52.86 52.05 1jb0 s ASN 235 Cb 0.00 -2.53 0.00 0.00 1.28 0.00 0.00 41.25 40.00 1jb0 s ASN 235 CO 0.00 -1.70 0.00 -2.65 -2.04 0.00 0.00 177.10 170.71 1jb0 n PRO 236 N 8.42 -0.03 -3.38 3.55 -0.02 -1.26 -0.81 135.00 141.47 1jb0 n PRO 236 Ca 0.23 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.36 1jb0 n PRO 236 Cb 0.47 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.89 1jb0 n PRO 236 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jb0 s ASP 237 N -1.47 6.81 0.67 2.55 1.11 -1.26 -3.38 116.67 121.70 1jb0 s ASP 237 Ca 0.00 1.05 -0.11 0.00 0.18 0.00 0.00 52.55 53.67 1jb0 s ASP 237 Cb 0.00 -2.28 -0.01 0.00 1.07 0.00 0.00 42.92 41.70 1jb0 s ASP 237 CO 0.00 0.12 1.05 0.42 1.18 0.00 0.00 175.17 177.94 1jb0 s THR 238 N -1.43 4.24 -1.68 -1.27 -4.23 -0.31 -4.89 115.64 106.07 1jb0 s THR 238 Ca 0.36 0.73 0.04 0.00 -1.18 0.00 0.00 61.69 61.64 1jb0 s THR 238 Cb -0.15 -3.60 0.09 0.00 1.34 0.00 0.00 72.50 70.18 1jb0 s THR 238 CO 0.19 -0.95 0.85 0.00 -0.54 0.00 0.00 174.62 174.17 1jb0 n ALA 239 N -2.96 1.50 -0.21 3.99 0.00 -1.26 -1.16 120.51 120.41 1jb0 n ALA 239 Ca 0.07 -0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.52 1jb0 n ALA 239 Cb 0.54 -1.07 0.09 0.00 0.00 0.00 0.00 19.45 19.01 1jb0 n ALA 239 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1jb0 n SER 240 N -1.16 2.52 -4.76 0.00 3.41 -1.26 -4.71 113.62 107.66 1jb0 n SER 240 Ca 0.02 -2.14 -0.41 0.00 -0.26 0.00 0.00 58.87 56.08 1jb0 n SER 240 Cb 0.02 -0.16 -0.01 0.00 -0.26 0.00 0.00 64.21 63.80 1jb0 n SER 240 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1jb0 s HIS 241 N -1.25 2.82 -0.36 7.33 5.04 -0.31 -4.58 115.29 123.99 1jb0 s HIS 241 Ca 0.14 1.03 -0.11 0.00 -1.54 0.00 0.00 55.06 54.58 1jb0 s HIS 241 Cb 0.09 -3.94 0.01 0.00 0.04 0.00 0.00 32.58 28.79 1jb0 s HIS 241 CO 0.07 -2.96 0.20 0.08 -2.34 0.00 0.00 174.74 169.80 1jb0 s VAL 242 N -0.43 4.71 0.16 0.89 1.01 -0.24 -4.72 120.40 121.78 1jb0 s VAL 242 Ca 0.58 -0.66 -0.34 0.00 0.00 0.00 0.00 61.98 61.56 1jb0 s VAL 242 Cb -0.45 -3.54 -0.14 0.00 0.00 0.00 0.00 36.38 32.24 1jb0 s VAL 242 CO 0.51 -0.14 1.47 0.33 0.00 0.00 0.00 175.10 177.28 1jb0 n PHE 243 N 5.02 2.05 -0.19 5.22 7.35 -1.26 -1.18 117.46 134.48 1jb0 n PHE 243 Ca -0.12 0.40 0.00 0.00 -0.76 0.00 0.00 57.45 56.96 1jb0 n PHE 243 Cb 0.47 -2.47 0.00 0.00 0.35 0.00 0.00 39.48 37.83 1jb0 n PHE 243 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1jb0 n GLY 244 N 2.90 1.19 3.51 7.13 0.00 0.20 -5.00 105.19 115.12 1jb0 n GLY 244 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 1jb0 n GLY 244 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jb0 s THR 245 N -2.67 1.80 -0.39 2.61 -4.23 -0.32 -2.20 115.64 110.23 1jb0 s THR 245 Ca 0.00 -2.09 0.26 0.00 -1.18 0.00 0.00 61.69 58.68 1jb0 s THR 245 Cb 0.00 -2.69 0.33 0.00 1.34 0.00 0.00 72.50 71.47 1jb0 s THR 245 CO 0.00 -0.15 1.75 0.00 -0.54 0.00 0.00 174.62 175.68 1jb0 h ALA 246 N 2.06 1.00 -1.89 3.99 0.00 -1.77 -3.31 119.26 119.34 1jb0 h ALA 246 Ca -0.42 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 53.90 1jb0 h ALA 246 Cb 1.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1jb0 h ALA 246 CO 0.72 0.00 1.49 1.04 0.00 0.00 0.00 179.25 182.49 1jb0 n GLN 247 N -2.77 1.88 -0.83 0.00 6.02 -1.26 -1.48 117.38 118.93 1jb0 n GLN 247 Ca 0.03 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.53 1jb0 n GLN 247 Cb 0.41 -3.16 0.00 0.00 1.02 0.00 0.00 30.24 28.51 1jb0 n GLN 247 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jb0 n GLY 248 N 5.85 0.82 3.77 1.08 0.00 -1.26 -1.08 105.19 114.36 1jb0 n GLY 248 Ca 0.31 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.95 1jb0 n GLY 248 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jb0 s ALA 249 N -3.16 3.22 0.00 4.61 0.00 -0.55 -1.16 121.76 124.71 1jb0 s ALA 249 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1jb0 s ALA 249 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1jb0 s ALA 249 CO 0.00 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.80 1jb0 n GLY 250 N 0.71 2.70 0.00 0.00 0.00 -1.22 -4.83 105.19 102.56 1jb0 n GLY 250 Ca 0.03 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1jb0 n GLY 250 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jb0 n THR 251 N 0.00 0.00 -1.80 2.61 -2.24 0.01 -4.92 114.28 107.94 1jb0 n THR 251 Ca 0.00 -0.06 -0.37 0.00 -2.27 0.00 0.00 64.05 61.35 1jb0 n THR 251 Cb 0.00 1.60 0.05 0.00 -2.10 0.00 0.00 70.33 69.88 1jb0 n THR 251 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jb0 s ALA 252 N -0.04 2.56 0.00 6.98 0.00 -0.45 -4.83 121.76 125.98 1jb0 s ALA 252 Ca 0.00 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1jb0 s ALA 252 Cb 0.00 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1jb0 s ALA 252 CO 0.00 -1.45 0.00 0.44 0.00 0.00 0.00 175.76 174.75 1jb0 n ILE 253 N -1.54 0.00 -3.67 0.00 -5.35 -0.66 -4.94 119.36 103.20 1jb0 n ILE 253 Ca 0.14 -0.21 -0.20 0.00 -0.27 0.00 0.00 62.75 62.21 1jb0 n ILE 253 Cb 0.47 0.71 -0.17 0.00 -1.74 0.00 0.00 39.64 38.91 1jb0 n ILE 253 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1jb0 s LEU 254 N -2.16 0.10 0.00 7.28 1.43 -0.85 -4.58 118.68 119.90 1jb0 s LEU 254 Ca 0.00 0.10 0.05 0.00 -1.03 0.00 0.00 54.13 53.25 1jb0 s LEU 254 Cb 0.00 -0.05 -0.02 0.00 0.03 0.00 0.00 46.19 46.15 1jb0 s LEU 254 CO 0.00 -0.25 0.26 0.35 0.23 0.00 0.00 176.35 176.93 1jb0 n THR 255 N 5.30 0.00 -2.81 5.49 -2.24 -1.10 -3.38 114.28 115.55 1jb0 n THR 255 Ca -0.04 -1.82 -0.10 0.00 -2.27 0.00 0.00 64.05 59.82 1jb0 n THR 255 Cb 0.50 0.94 0.06 0.00 -2.10 0.00 0.00 70.33 69.73 1jb0 n THR 255 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1jb0 n PHE 256 N -0.49 -1.03 -0.04 4.78 -0.00 -1.26 -4.40 117.46 115.02 1jb0 n PHE 256 Ca 0.05 -2.62 -0.12 0.00 -0.00 0.00 0.00 57.45 54.76 1jb0 n PHE 256 Cb 0.48 0.64 -0.07 0.00 -0.00 0.00 0.00 39.48 40.53 1jb0 n PHE 256 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1jb0 h LEU 257 N 2.72 0.23 0.00 -2.13 3.38 -1.92 -3.16 115.31 114.43 1jb0 h LEU 257 Ca -0.11 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1jb0 h LEU 257 Cb 1.15 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1jb0 h LEU 257 CO 0.25 0.55 0.00 0.61 0.09 0.00 0.00 178.44 179.94 1jb0 n GLY 258 N -0.11 -1.38 7.00 0.83 0.00 -1.26 -3.88 105.19 106.39 1jb0 n GLY 258 Ca -0.06 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1jb0 n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jb0 n GLY 259 N -1.38 0.11 3.29 -0.02 0.00 -1.26 -4.41 105.19 101.52 1jb0 n GLY 259 Ca 0.00 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 1jb0 n GLY 259 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jb0 s PHE 260 N 0.00 1.73 0.12 1.61 0.40 -1.26 -4.37 117.98 116.20 1jb0 s PHE 260 Ca 0.00 -0.45 -0.31 0.00 -0.60 0.00 0.00 56.93 55.57 1jb0 s PHE 260 Cb 0.00 -0.91 -0.10 0.00 0.51 0.00 0.00 43.02 42.52 1jb0 s PHE 260 CO 0.00 0.23 1.80 -1.58 0.70 0.00 0.00 175.22 176.38 1jb0 s HIS 261 N -1.57 2.19 0.54 0.36 5.65 -0.43 -4.86 115.29 117.18 1jb0 s HIS 261 Ca 0.09 0.03 0.22 0.00 0.25 0.00 0.00 55.06 55.65 1jb0 s HIS 261 Cb -0.08 -4.15 1.41 0.00 -1.18 0.00 0.00 32.58 28.58 1jb0 s HIS 261 CO 0.05 -4.71 2.11 -1.00 -0.65 0.00 0.00 174.74 170.54 1jb0 h PRO 262 N 8.54 0.00 0.00 2.88 0.13 -1.89 0.19 132.00 141.85 1jb0 h PRO 262 Ca -0.45 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 1jb0 h PRO 262 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1jb0 h PRO 262 CO 0.95 0.00 -0.34 0.37 -0.23 0.00 0.00 178.00 178.74 1jb0 h GLN 263 N 0.00 0.00 0.00 0.86 4.15 -1.85 -3.37 115.11 114.89 1jb0 h GLN 263 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1jb0 h GLN 263 Cb 0.36 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.05 1jb0 h GLN 263 CO -0.00 0.26 0.00 1.79 -1.93 0.00 0.00 178.83 178.95 1jb0 h THR 264 N -1.00 0.00 -4.27 2.39 1.35 -1.91 -3.46 112.91 106.00 1jb0 h THR 264 Ca -0.05 -0.43 -0.40 0.00 -0.55 0.00 0.00 66.41 64.98 1jb0 h THR 264 Cb 0.48 1.37 0.04 0.00 -1.73 0.00 0.00 68.15 68.31 1jb0 h THR 264 CO -0.03 0.00 -0.59 -0.62 -0.25 0.00 0.00 175.52 174.03 1jb0 n GLU 265 N -2.89 -4.21 -4.17 4.72 1.02 0.05 -1.31 120.64 113.85 1jb0 n GLU 265 Ca 0.01 0.90 -0.11 0.00 -0.02 0.00 0.00 57.16 57.94 1jb0 n GLU 265 Cb 0.28 -5.72 -0.10 0.00 -0.02 0.00 0.00 31.44 25.89 1jb0 n GLU 265 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1jb0 s SER 266 N -2.58 0.21 0.75 1.62 1.04 -1.25 -4.71 113.70 108.78 1jb0 s SER 266 Ca 0.25 -1.29 -0.16 0.00 0.48 0.00 0.00 55.95 55.24 1jb0 s SER 266 Cb -0.11 0.35 -0.03 0.00 0.10 0.00 0.00 66.02 66.33 1jb0 s SER 266 CO 0.31 -0.80 0.47 0.18 0.98 0.00 0.00 173.24 174.38 1jb0 n LEU 267 N -0.20 0.46 -4.74 2.42 4.77 -0.25 -1.31 117.00 118.15 1jb0 n LEU 267 Ca -0.01 0.55 -0.41 0.00 -0.03 0.00 0.00 56.01 56.11 1jb0 n LEU 267 Cb 0.65 -1.20 -0.05 0.00 -2.33 0.00 0.00 43.42 40.49 1jb0 n LEU 267 CO 0.31 -3.27 0.71 0.26 -1.33 0.00 0.00 177.39 174.07 1jb0 s TRP 268 N -1.97 3.78 0.20 -1.77 0.52 -1.26 -4.62 118.94 113.81 1jb0 s TRP 268 Ca 0.64 1.77 -0.11 0.00 0.02 0.00 0.00 56.10 58.41 1jb0 s TRP 268 Cb -0.33 -3.12 0.18 0.00 -1.15 0.00 0.00 33.47 29.05 1jb0 s TRP 268 CO 0.60 -0.02 1.83 -0.07 0.02 0.00 0.00 176.95 179.30 1jb0 h LEU 269 N 4.90 0.61 -1.68 2.99 3.38 -1.95 -1.47 115.31 122.08 1jb0 h LEU 269 Ca -0.44 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.52 1jb0 h LEU 269 Cb 1.21 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1jb0 h LEU 269 CO 0.70 0.42 -0.02 0.71 0.09 0.00 0.00 178.44 180.34 1jb0 h THR 270 N 0.74 1.10 -0.29 0.22 1.35 -1.92 0.10 112.91 114.21 1jb0 h THR 270 Ca 0.26 -0.38 -0.12 0.00 -0.55 0.00 0.00 66.41 65.62 1jb0 h THR 270 Cb 0.07 1.03 -0.00 0.00 -1.73 0.00 0.00 68.15 67.52 1jb0 h THR 270 CO -0.12 0.12 -0.29 0.44 -0.25 0.00 0.00 175.52 175.42 1jb0 h ASP 271 N 0.17 0.76 -0.12 5.36 5.19 -1.56 -2.45 116.42 123.76 1jb0 h ASP 271 Ca 0.04 -0.47 -0.09 0.00 -0.62 0.00 0.00 57.03 55.88 1jb0 h ASP 271 Cb 0.16 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 1jb0 h ASP 271 CO 0.00 1.08 -0.21 0.24 -3.12 0.00 0.00 179.24 177.23 1jb0 h MET 272 N 0.45 0.54 -0.26 3.56 2.86 -0.27 -0.58 114.93 121.23 1jb0 h MET 272 Ca 0.05 -0.19 -0.06 0.00 -2.06 0.00 0.00 59.70 57.44 1jb0 h MET 272 Cb 0.86 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 1jb0 h MET 272 CO 0.07 0.72 -0.06 0.00 1.06 0.00 0.00 176.91 178.71 1jb0 h ALA 273 N 1.29 0.35 -0.93 6.32 0.00 -0.83 -2.55 119.26 122.91 1jb0 h ALA 273 Ca 0.08 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1jb0 h ALA 273 Cb 0.64 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1jb0 h ALA 273 CO 0.05 0.15 0.57 1.25 0.00 0.00 0.00 179.25 181.26 1jb0 h HIS 274 N 0.24 1.22 -0.22 0.00 6.17 -1.22 -2.17 115.15 119.17 1jb0 h HIS 274 Ca 0.07 0.00 0.05 0.00 0.71 0.00 0.00 60.37 61.19 1jb0 h HIS 274 Cb 0.52 -0.40 -0.05 0.00 2.52 0.00 0.00 27.41 30.00 1jb0 h HIS 274 CO 0.05 0.80 -0.08 1.25 0.71 0.00 0.00 177.93 180.66 1jb0 h HIS 275 N 1.28 -0.18 -0.37 5.26 6.17 -0.91 -0.72 115.15 125.67 1jb0 h HIS 275 Ca 0.33 0.02 -0.08 0.00 0.71 0.00 0.00 60.37 61.35 1jb0 h HIS 275 Cb -0.07 0.12 -0.02 0.00 2.52 0.00 0.00 27.41 29.96 1jb0 h HIS 275 CO 0.00 -0.13 -0.11 0.45 0.71 0.00 0.00 177.93 178.85 1jb0 h HIS 276 N -0.04 0.71 -0.42 5.26 3.86 -1.13 -0.55 115.15 122.83 1jb0 h HIS 276 Ca 0.11 -0.12 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1jb0 h HIS 276 Cb 0.21 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 1jb0 h HIS 276 CO -0.25 0.74 0.05 1.25 0.86 0.00 0.00 177.93 180.57 1jb0 h LEU 277 N 0.60 0.69 0.03 2.43 5.85 -1.03 0.15 115.31 124.03 1jb0 h LEU 277 Ca 0.11 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 1jb0 h LEU 277 Cb 0.54 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1jb0 h LEU 277 CO 0.03 0.79 -0.02 0.00 -0.34 0.00 0.00 178.44 178.91 1jb0 h ALA 278 N 0.92 -0.05 -0.90 1.25 0.00 -0.95 -2.72 119.26 116.81 1jb0 h ALA 278 Ca 0.12 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1jb0 h ALA 278 Cb 0.41 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 1jb0 h ALA 278 CO 0.01 -0.43 0.55 0.82 0.00 0.00 0.00 179.25 180.20 1jb0 h ILE 279 N -0.23 1.00 -0.23 0.00 1.08 -1.01 -2.37 117.51 115.74 1jb0 h ILE 279 Ca -0.00 -0.33 0.05 0.00 -0.39 0.00 0.00 64.86 64.18 1jb0 h ILE 279 Cb 0.22 -0.05 -0.04 0.00 -3.07 0.00 0.00 36.82 33.87 1jb0 h ILE 279 CO 0.01 0.18 -0.06 0.00 -0.69 0.00 0.00 178.15 177.58 1jb0 h ALA 280 N 1.45 0.15 -0.30 1.87 0.00 -0.48 -1.38 119.26 120.57 1jb0 h ALA 280 Ca 0.41 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.45 1jb0 h ALA 280 Cb 0.27 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1jb0 h ALA 280 CO -0.21 -0.47 0.07 0.28 0.00 0.00 0.00 179.25 178.92 1jb0 h VAL 281 N -0.00 0.87 -0.45 0.00 2.07 -1.14 -0.29 116.25 117.30 1jb0 h VAL 281 Ca 0.11 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.64 1jb0 h VAL 281 Cb 0.18 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 1jb0 h VAL 281 CO -0.24 0.03 0.09 -0.07 0.02 0.00 0.00 177.57 177.40 1jb0 h LEU 282 N 0.18 -0.00 -0.50 2.57 -0.00 -1.03 -1.56 115.31 114.97 1jb0 h LEU 282 Ca 0.14 0.08 -0.15 0.00 -0.00 0.00 0.00 57.88 57.95 1jb0 h LEU 282 Cb 0.14 0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.90 1jb0 h LEU 282 CO -0.17 0.03 -0.41 -0.26 -0.00 0.00 0.00 178.44 177.63 1jb0 h PHE 283 N 0.22 0.93 -0.42 1.13 0.04 -0.85 -1.62 116.94 116.37 1jb0 h PHE 283 Ca 0.22 -0.28 -0.05 0.00 2.80 0.00 0.00 57.97 60.66 1jb0 h PHE 283 Cb 0.29 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.22 1jb0 h PHE 283 CO -0.22 1.05 0.03 0.82 -0.60 0.00 0.00 178.31 179.39 1jb0 h ILE 284 N 0.63 1.21 0.03 -0.55 2.04 -0.79 -0.47 117.51 119.62 1jb0 h ILE 284 Ca 0.05 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 1jb0 h ILE 284 Cb 0.96 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1jb0 h ILE 284 CO 0.09 0.30 -0.01 0.58 0.00 0.00 0.00 178.15 179.10 1jb0 h VAL 285 N 0.63 1.27 -0.11 1.67 2.07 -1.10 -2.98 116.25 117.70 1jb0 h VAL 285 Ca 0.13 -0.93 0.03 0.00 0.82 0.00 0.00 66.70 66.75 1jb0 h VAL 285 Cb 0.35 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1jb0 h VAL 285 CO 0.01 0.24 0.10 0.00 0.02 0.00 0.00 177.57 177.93 1jb0 h ALA 286 N 0.51 1.87 0.00 1.67 0.00 -1.10 -0.64 119.26 121.58 1jb0 h ALA 286 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jb0 h ALA 286 Cb 0.42 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1jb0 h ALA 286 CO 0.01 -0.15 0.00 0.41 0.00 0.00 0.00 179.25 179.51 1jb0 n GLY 287 N -1.45 -0.77 0.66 0.00 0.00 -0.20 -2.60 105.19 100.82 1jb0 n GLY 287 Ca -0.00 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.04 1jb0 n GLY 287 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jb0 n HIS 288 N -0.59 0.10 -0.09 1.61 8.25 -0.25 -4.59 115.22 119.66 1jb0 n HIS 288 Ca 0.03 -1.51 -0.17 0.00 -0.26 0.00 0.00 57.72 55.81 1jb0 n HIS 288 Cb 0.02 -0.25 -0.13 0.00 1.12 0.00 0.00 29.99 30.74 1jb0 n HIS 288 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1jb0 n MET 289 N -1.09 0.68 -3.48 -0.41 0.00 -1.07 -4.96 117.12 106.78 1jb0 n MET 289 Ca 0.20 0.15 -0.30 0.00 0.00 0.00 0.00 57.70 57.75 1jb0 n MET 289 Cb 0.71 -1.57 -0.04 0.00 0.00 0.00 0.00 33.22 32.31 1jb0 n MET 289 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1jb0 s TYR 290 N -2.53 3.46 -0.06 1.12 1.51 -1.26 -0.78 117.35 118.81 1jb0 s TYR 290 Ca -0.27 0.67 -0.30 0.00 -1.01 0.00 0.00 57.07 56.16 1jb0 s TYR 290 Cb 0.08 -2.11 -0.02 0.00 -0.11 0.00 0.00 41.96 39.80 1jb0 s TYR 290 CO 0.68 0.29 1.06 0.50 -1.11 0.00 0.00 175.55 176.98 1jb0 s ARG 291 N -3.05 4.43 0.00 -0.62 3.52 0.12 -4.51 118.95 118.84 1jb0 s ARG 291 Ca 0.44 1.50 0.00 0.00 -0.13 0.00 0.00 55.73 57.54 1jb0 s ARG 291 Cb -0.11 -3.51 0.00 0.00 -1.56 0.00 0.00 34.95 29.76 1jb0 s ARG 291 CO 0.26 -0.29 0.00 0.25 -0.81 0.00 0.00 175.30 174.71 1jb0 n THR 292 N 4.38 0.00 -1.21 4.11 -2.24 -1.26 -4.59 114.28 113.47 1jb0 n THR 292 Ca 0.09 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.57 1jb0 n THR 292 Cb 0.48 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.80 1jb0 n THR 292 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jb0 n GLN 293 N 0.00 2.46 -0.74 -0.78 10.64 -1.26 -4.16 117.38 123.54 1jb0 n GLN 293 Ca 0.00 -2.91 0.04 0.00 -1.83 0.00 0.00 57.00 52.30 1jb0 n GLN 293 Cb 0.00 -2.14 0.07 0.00 -0.86 0.00 0.00 30.24 27.31 1jb0 n GLN 293 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1jb0 n PHE 294 N -0.71 0.00 -3.89 2.61 3.01 -1.26 -5.00 117.46 112.21 1jb0 n PHE 294 Ca 0.56 -0.59 -0.32 0.00 1.01 0.00 0.00 57.45 58.11 1jb0 n PHE 294 Cb 0.77 -0.13 -0.06 0.00 -0.01 0.00 0.00 39.48 40.05 1jb0 n PHE 294 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jb0 n GLY 295 N -0.31 -0.37 3.06 1.37 0.00 -1.26 -4.88 105.19 102.79 1jb0 n GLY 295 Ca 0.08 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 1jb0 n GLY 295 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1jb0 s ILE 296 N -2.80 -0.06 0.00 -0.61 2.07 -1.26 -5.10 121.20 113.44 1jb0 s ILE 296 Ca 0.62 0.15 0.00 0.00 -1.41 0.00 0.00 60.65 60.02 1jb0 s ILE 296 Cb -0.36 -0.39 0.00 0.00 0.13 0.00 0.00 42.46 41.84 1jb0 s ILE 296 CO 0.76 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 174.47 1jb0 n GLY 297 N 4.30 1.12 3.89 1.50 0.00 -1.26 -4.16 105.19 110.58 1jb0 n GLY 297 Ca -0.24 -2.13 -0.30 0.00 0.00 0.00 0.00 46.02 43.34 1jb0 n GLY 297 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jb0 s HIS 298 N -1.09 3.46 -0.35 1.61 3.76 0.04 -4.36 115.29 118.36 1jb0 s HIS 298 Ca 0.00 0.70 -0.01 0.00 -0.15 0.00 0.00 55.06 55.60 1jb0 s HIS 298 Cb 0.00 -2.14 0.08 0.00 1.11 0.00 0.00 32.58 31.63 1jb0 s HIS 298 CO 0.00 0.25 0.08 0.45 -0.85 0.00 0.00 174.74 174.67 1jb0 s SER 299 N -2.79 5.01 0.59 1.40 0.15 -1.26 0.15 113.70 116.95 1jb0 s SER 299 Ca 0.45 -1.68 0.29 0.00 0.70 0.00 0.00 55.95 55.70 1jb0 s SER 299 Cb -0.11 -1.75 1.46 0.00 -1.71 0.00 0.00 66.02 63.92 1jb0 s SER 299 CO 0.26 -0.39 1.88 0.40 1.20 0.00 0.00 173.24 176.60 1jb0 h ILE 300 N 6.45 0.36 -0.30 6.45 2.04 -1.97 0.13 117.51 130.67 1jb0 h ILE 300 Ca -0.16 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 1jb0 h ILE 300 Cb 1.05 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1jb0 h ILE 300 CO 0.59 0.00 0.01 0.50 0.00 0.00 0.00 178.15 179.25 1jb0 h LYS 301 N 0.00 0.52 -0.29 2.37 3.64 -1.97 -2.31 116.57 118.52 1jb0 h LYS 301 Ca 0.23 -0.16 -0.09 0.00 -1.27 0.00 0.00 60.65 59.36 1jb0 h LYS 301 Cb 1.24 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 1jb0 h LYS 301 CO -0.00 0.66 -0.18 0.93 -2.27 0.00 0.00 179.45 178.58 1jb0 h GLU 302 N 0.32 0.53 0.00 1.90 5.08 -1.40 -1.78 114.58 119.22 1jb0 h GLU 302 Ca 0.09 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1jb0 h GLU 302 Cb 0.42 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1jb0 h GLU 302 CO 0.01 0.69 -0.32 0.52 -1.00 0.00 0.00 179.01 178.91 1jb0 h MET 303 N 0.47 0.00 0.02 2.33 2.86 -1.41 -0.22 114.93 118.99 1jb0 h MET 303 Ca 0.08 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.47 1jb0 h MET 303 Cb 0.59 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 1jb0 h MET 303 CO 0.04 0.32 -1.31 1.98 1.06 0.00 0.00 176.91 179.00 1jb0 h MET 304 N 0.00 0.04 0.00 1.72 -1.53 -1.07 -3.36 114.93 110.73 1jb0 h MET 304 Ca -0.00 -0.07 0.00 0.00 -3.44 0.00 0.00 59.70 56.18 1jb0 h MET 304 Cb 0.82 0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.90 1jb0 h MET 304 CO 0.04 0.86 -1.04 -0.25 0.14 0.00 0.00 176.91 176.67 1jb0 n ASP 305 N -3.27 0.62 -4.50 1.39 8.00 -0.70 -1.42 116.55 116.66 1jb0 n ASP 305 Ca -0.08 -0.26 -0.43 0.00 0.71 0.00 0.00 54.79 54.73 1jb0 n ASP 305 Cb 0.99 0.83 -0.00 0.00 -0.02 0.00 0.00 41.12 42.92 1jb0 n ASP 305 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jb0 n ALA 306 N -1.81 -1.17 -1.99 2.24 0.00 -0.11 -4.84 120.51 112.84 1jb0 n ALA 306 Ca 0.02 0.27 0.01 0.00 0.00 0.00 0.00 53.44 53.74 1jb0 n ALA 306 Cb 0.43 -1.85 0.01 0.00 0.00 0.00 0.00 19.45 18.04 1jb0 n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jb0 n LYS 307 N 0.63 0.10 -3.65 0.00 4.76 -1.26 -3.71 118.16 115.03 1jb0 n LYS 307 Ca 0.12 -1.23 -0.19 0.00 -2.87 0.00 0.00 58.31 54.14 1jb0 n LYS 307 Cb 0.36 -0.53 -0.16 0.00 -1.84 0.00 0.00 35.03 32.86 1jb0 n LYS 307 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1jb0 s ASP 308 N -1.25 1.04 -0.86 4.39 2.15 -1.23 -3.50 116.67 117.42 1jb0 s ASP 308 Ca 0.06 0.14 -0.07 0.00 0.43 0.00 0.00 52.55 53.12 1jb0 s ASP 308 Cb 0.06 0.12 0.22 0.00 -0.30 0.00 0.00 42.92 43.02 1jb0 s ASP 308 CO -0.02 -0.26 0.77 0.12 -0.17 0.00 0.00 175.17 175.61 1jb0 s PHE 309 N 2.25 3.82 -1.37 -5.34 5.36 0.44 -4.73 117.98 118.42 1jb0 s PHE 309 Ca 0.04 -2.62 -0.05 0.00 -0.96 0.00 0.00 56.93 53.34 1jb0 s PHE 309 Cb -0.13 -3.51 0.03 0.00 -0.34 0.00 0.00 43.02 39.07 1jb0 s PHE 309 CO -0.06 -0.87 0.87 1.19 -1.46 0.00 0.00 175.22 174.90 1jb0 n PHE 310 N 3.11 -2.17 0.00 10.12 0.99 -1.26 -3.00 117.46 125.25 1jb0 n PHE 310 Ca 0.17 0.89 0.00 0.00 -0.00 0.00 0.00 57.45 58.51 1jb0 n PHE 310 Cb 0.40 -4.43 0.00 0.00 -1.00 0.00 0.00 39.48 34.45 1jb0 n PHE 310 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1jb0 n GLY 311 N -1.61 2.97 3.78 1.37 0.00 -1.26 -5.05 105.19 105.40 1jb0 n GLY 311 Ca -0.16 -0.79 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 1jb0 n GLY 311 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jb0 s THR 312 N 0.00 3.44 0.00 2.61 -4.23 -1.16 -5.04 115.64 111.26 1jb0 s THR 312 Ca 0.00 0.82 0.00 0.00 -1.18 0.00 0.00 61.69 61.33 1jb0 s THR 312 Cb 0.00 -3.31 0.00 0.00 1.34 0.00 0.00 72.50 70.53 1jb0 s THR 312 CO 0.00 -0.27 0.00 1.17 -0.54 0.00 0.00 174.62 174.98 1jb0 n LYS 313 N -1.51 0.00 0.00 3.99 4.81 -1.26 -0.42 118.16 123.77 1jb0 n LYS 313 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 1jb0 n LYS 313 Cb 0.52 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 1jb0 n LYS 313 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1jb0 n VAL 314 N 0.00 0.00 1.52 3.15 0.24 -1.23 -1.28 118.33 120.73 1jb0 n VAL 314 Ca 0.00 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.43 1jb0 n VAL 314 Cb 0.00 0.00 0.74 0.00 -1.47 0.00 0.00 33.84 33.11 1jb0 n VAL 314 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1jb0 n GLU 315 N 0.75 0.68 0.00 7.34 1.02 -1.26 -4.36 120.64 124.81 1jb0 n GLU 315 Ca 0.00 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1jb0 n GLU 315 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 1jb0 n GLU 315 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jb0 n GLY 316 N 0.75 0.87 3.64 0.62 0.00 -1.23 -3.06 105.19 106.77 1jb0 n GLY 316 Ca 0.17 -1.97 -0.47 0.00 0.00 0.00 0.00 46.02 43.75 1jb0 n GLY 316 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jb0 n PRO 317 N 0.00 1.75 -1.87 1.61 -0.02 -1.19 0.77 135.00 136.06 1jb0 n PRO 317 Ca 0.00 0.63 -0.16 0.00 -2.02 0.00 0.00 63.50 61.94 1jb0 n PRO 317 Cb 0.00 -2.28 -0.04 0.00 -0.02 0.00 0.00 33.50 31.16 1jb0 n PRO 317 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1jb0 n PHE 318 N 2.31 -0.63 -2.70 6.00 7.35 -1.26 -0.23 117.46 128.30 1jb0 n PHE 318 Ca 0.15 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.64 1jb0 n PHE 318 Cb 0.27 -3.11 0.02 0.00 0.35 0.00 0.00 39.48 37.01 1jb0 n PHE 318 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1jb0 n ASN 319 N -1.29 -5.60 -4.39 -2.13 5.15 0.23 -5.01 115.26 102.23 1jb0 n ASN 319 Ca -0.18 -0.16 -0.32 0.00 -0.60 0.00 0.00 54.58 53.32 1jb0 n ASN 319 Cb 0.58 -4.52 -0.14 0.00 -0.53 0.00 0.00 39.78 35.17 1jb0 n ASN 319 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1jb0 s MET 320 N -5.31 2.56 -0.29 1.20 -1.94 0.69 -4.30 119.30 111.90 1jb0 s MET 320 Ca 0.16 -0.78 -0.28 0.00 -1.71 0.00 0.00 55.69 53.07 1jb0 s MET 320 Cb -0.07 -2.31 -0.03 0.00 2.01 0.00 0.00 34.83 34.44 1jb0 s MET 320 CO 0.20 0.51 1.86 -2.14 -0.01 0.00 0.00 175.02 175.43 1jb0 s PRO 321 N -0.44 3.36 0.00 2.03 0.02 -1.17 -3.17 135.00 135.62 1jb0 s PRO 321 Ca 0.05 1.58 0.00 0.00 0.02 0.00 0.00 61.00 62.65 1jb0 s PRO 321 Cb -0.12 -4.21 0.00 0.00 0.02 0.00 0.00 34.50 30.19 1jb0 s PRO 321 CO 0.02 -1.83 0.75 0.72 -0.33 0.00 0.00 177.00 176.32 1jb0 n HIS 322 N 10.31 0.00 -1.74 6.54 8.25 -1.25 -1.11 115.22 136.23 1jb0 n HIS 322 Ca 0.24 -0.25 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 1jb0 n HIS 322 Cb 0.46 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.52 1jb0 n HIS 322 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1jb0 s GLN 323 N -0.51 4.14 0.00 -0.41 0.00 -0.51 -1.90 119.66 120.47 1jb0 s GLN 323 Ca 0.00 2.57 0.00 0.00 -0.00 0.00 0.00 55.36 57.93 1jb0 s GLN 323 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 33.01 29.64 1jb0 s GLN 323 CO 0.00 -0.79 0.00 0.41 0.00 0.00 0.00 175.29 174.91 1jb0 n GLY 324 N 4.10 3.24 0.31 2.60 0.00 -1.26 -4.73 105.19 109.45 1jb0 n GLY 324 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 1jb0 n GLY 324 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1jb0 h ILE 325 N 0.00 0.96 -0.42 -0.61 5.03 -1.69 0.14 117.51 120.91 1jb0 h ILE 325 Ca 0.00 -0.07 -0.05 0.00 -0.12 0.00 0.00 64.86 64.62 1jb0 h ILE 325 Cb 0.00 0.73 -0.02 0.00 -3.03 0.00 0.00 36.82 34.51 1jb0 h ILE 325 CO 0.00 0.04 0.08 0.22 -0.68 0.00 0.00 178.15 177.81 1jb0 h TYR 326 N 0.21 0.73 -0.02 1.37 3.20 -1.90 -0.97 116.97 119.59 1jb0 h TYR 326 Ca 0.13 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1jb0 h TYR 326 Cb 0.26 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 1jb0 h TYR 326 CO -0.00 0.70 -0.01 0.93 -1.64 0.00 0.00 178.16 178.13 1jb0 h GLU 327 N 0.55 0.04 -0.61 1.82 3.07 -1.67 0.11 114.58 117.89 1jb0 h GLU 327 Ca 0.13 -0.02 0.13 0.00 -0.50 0.00 0.00 59.36 59.10 1jb0 h GLU 327 Cb 0.35 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.16 1jb0 h GLU 327 CO 0.01 0.49 -0.01 1.15 -1.40 0.00 0.00 179.01 179.25 1jb0 h THR 328 N -0.41 0.49 0.11 1.13 2.02 -0.70 0.34 112.91 115.89 1jb0 h THR 328 Ca 0.00 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1jb0 h THR 328 Cb 0.48 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1jb0 h THR 328 CO 0.00 0.02 -0.05 0.22 0.37 0.00 0.00 175.52 176.08 1jb0 h TYR 329 N 0.11 -0.14 0.00 3.16 3.20 -1.18 -3.07 116.97 119.06 1jb0 h TYR 329 Ca 0.32 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.14 1jb0 h TYR 329 Cb 0.51 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 1jb0 h TYR 329 CO -0.37 0.31 -0.20 -0.97 -1.64 0.00 0.00 178.16 175.29 1jb0 h ASN 330 N -0.65 0.00 0.37 -2.11 -1.24 -0.47 -3.05 115.58 108.42 1jb0 h ASN 330 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.99 1jb0 h ASN 330 Cb 0.51 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.56 1jb0 h ASN 330 CO 0.03 0.20 -0.67 0.59 -1.29 0.00 0.00 177.43 176.28 1jb0 n ASN 331 N -3.82 0.65 -4.31 1.15 3.02 0.12 -4.84 115.26 107.22 1jb0 n ASN 331 Ca -0.02 -0.45 -0.36 0.00 -0.03 0.00 0.00 54.58 53.73 1jb0 n ASN 331 Cb 0.30 0.49 -0.13 0.00 -0.61 0.00 0.00 39.78 39.82 1jb0 n ASN 331 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1jb0 s SER 332 N -3.08 4.64 0.40 6.41 0.15 -1.15 -4.96 113.70 116.12 1jb0 s SER 332 Ca 0.10 -0.58 0.18 0.00 0.70 0.00 0.00 55.95 56.34 1jb0 s SER 332 Cb 0.17 -1.78 0.85 0.00 -1.71 0.00 0.00 66.02 63.55 1jb0 s SER 332 CO 0.75 -0.10 1.84 -0.07 1.20 0.00 0.00 173.24 176.87 1jb0 h LEU 333 N 8.14 0.00 -0.52 3.45 3.38 -1.88 -2.64 115.31 125.24 1jb0 h LEU 333 Ca -0.36 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.44 1jb0 h LEU 333 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1jb0 h LEU 333 CO 0.59 0.33 -0.69 0.45 0.09 0.00 0.00 178.44 179.21 1jb0 h HIS 334 N 0.00 0.36 -0.14 1.13 3.86 -1.93 0.40 115.15 118.83 1jb0 h HIS 334 Ca -0.00 -0.15 -0.04 0.00 -1.16 0.00 0.00 60.37 59.02 1jb0 h HIS 334 Cb 0.68 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 29.09 1jb0 h HIS 334 CO 0.00 0.87 -0.05 0.35 0.86 0.00 0.00 177.93 179.96 1jb0 h PHE 335 N 0.19 0.33 -0.17 2.45 3.57 -1.74 -0.34 116.94 121.22 1jb0 h PHE 335 Ca -0.02 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1jb0 h PHE 335 Cb 1.23 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 1jb0 h PHE 335 CO 0.03 0.59 0.11 1.96 -2.23 0.00 0.00 178.31 178.77 1jb0 h GLN 336 N -0.03 0.22 -0.57 1.11 4.20 -1.41 0.09 115.11 118.73 1jb0 h GLN 336 Ca 0.03 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 1jb0 h GLN 336 Cb 0.50 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 1jb0 h GLN 336 CO 0.02 0.17 0.23 1.25 -0.67 0.00 0.00 178.83 179.83 1jb0 h LEU 337 N 0.21 0.79 -0.40 1.46 5.85 -0.87 0.18 115.31 122.53 1jb0 h LEU 337 Ca 0.06 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1jb0 h LEU 337 Cb 0.00 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1jb0 h LEU 337 CO -0.01 0.74 0.19 1.23 -0.34 0.00 0.00 178.44 180.25 1jb0 h GLY 338 N 0.79 0.62 0.98 3.75 0.00 -0.87 -0.24 103.07 108.10 1jb0 h GLY 338 Ca 0.19 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1jb0 h GLY 338 CO -0.02 0.29 -0.11 -0.25 0.00 0.00 0.00 176.54 176.45 1jb0 h TRP 339 N 0.50 -0.30 -0.18 5.60 2.91 -0.66 -2.18 115.95 121.64 1jb0 h TRP 339 Ca 0.14 -0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.12 1jb0 h TRP 339 Cb 0.12 0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 28.86 1jb0 h TRP 339 CO -0.01 -0.17 -0.00 0.45 -1.03 0.00 0.00 178.44 177.68 1jb0 h HIS 340 N -0.35 0.26 -0.36 2.65 3.86 -0.55 -2.22 115.15 118.45 1jb0 h HIS 340 Ca -0.03 -0.01 -0.14 0.00 -1.16 0.00 0.00 60.37 59.02 1jb0 h HIS 340 Cb 0.26 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 1jb0 h HIS 340 CO -0.05 0.28 -0.34 -0.07 0.86 0.00 0.00 177.93 178.60 1jb0 h LEU 341 N 0.26 0.85 -0.45 2.43 3.38 -0.76 -0.95 115.31 120.07 1jb0 h LEU 341 Ca 0.06 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 1jb0 h LEU 341 Cb 0.19 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1jb0 h LEU 341 CO 0.00 1.11 0.08 0.00 0.09 0.00 0.00 178.44 179.73 1jb0 h ALA 342 N 0.93 0.59 -0.25 1.53 0.00 -0.88 0.26 119.26 121.45 1jb0 h ALA 342 Ca 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1jb0 h ALA 342 Cb 0.90 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1jb0 h ALA 342 CO 0.08 0.31 0.11 0.00 0.00 0.00 0.00 179.25 179.75 1jb0 h LEU 344 N 0.27 1.01 -1.06 0.00 5.85 -1.01 -1.74 115.31 118.62 1jb0 h LEU 344 Ca 0.09 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 1jb0 h LEU 344 Cb 0.15 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1jb0 h LEU 344 CO -0.01 0.99 0.28 1.23 -0.34 0.00 0.00 178.44 180.59 1jb0 h GLY 345 N 0.99 1.02 0.70 3.75 0.00 -0.33 -1.52 103.07 107.68 1jb0 h GLY 345 Ca 0.21 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1jb0 h GLY 345 CO 0.00 0.48 -0.06 -2.08 0.00 0.00 0.00 176.54 174.89 1jb0 h VAL 346 N 0.94 1.03 0.00 4.60 2.07 -0.82 -2.73 116.25 121.34 1jb0 h VAL 346 Ca 0.22 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1jb0 h VAL 346 Cb 0.15 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1jb0 h VAL 346 CO -0.02 0.15 0.00 2.30 0.02 0.00 0.00 177.57 180.02 1jb0 n ILE 347 N -5.02 0.70 0.09 4.57 -5.35 -0.69 -1.75 119.36 111.90 1jb0 n ILE 347 Ca -0.09 0.17 -0.15 0.00 -0.27 0.00 0.00 62.75 62.41 1jb0 n ILE 347 Cb 0.20 -0.85 -0.11 0.00 -1.74 0.00 0.00 39.64 37.14 1jb0 n ILE 347 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1jb0 h THR 348 N 0.00 1.46 -0.41 7.28 2.02 -1.13 -0.71 112.91 121.43 1jb0 h THR 348 Ca 0.00 -2.84 -0.13 0.00 0.77 0.00 0.00 66.41 64.21 1jb0 h THR 348 Cb 0.33 2.77 -0.01 0.00 -1.74 0.00 0.00 68.15 69.50 1jb0 h THR 348 CO 0.00 0.83 -0.26 0.28 0.37 0.00 0.00 175.52 176.74 1jb0 h SER 349 N 0.13 0.93 -0.38 4.18 0.02 -1.09 -2.23 113.55 115.11 1jb0 h SER 349 Ca -0.12 -0.43 0.01 0.00 -0.84 0.00 0.00 61.79 60.42 1jb0 h SER 349 Cb 1.84 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 64.10 1jb0 h SER 349 CO 0.19 1.16 0.23 0.25 -1.14 0.00 0.00 176.83 177.51 1jb0 h LEU 350 N 0.71 0.37 -0.94 5.07 5.85 -1.23 0.19 115.31 125.33 1jb0 h LEU 350 Ca 0.08 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.90 1jb0 h LEU 350 Cb 0.84 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.71 1jb0 h LEU 350 CO 0.07 0.27 0.58 0.58 -0.34 0.00 0.00 178.44 179.60 1jb0 h VAL 351 N 0.46 0.96 -0.21 1.05 2.07 -0.97 0.20 116.25 119.81 1jb0 h VAL 351 Ca 0.15 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 1jb0 h VAL 351 Cb -0.01 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.66 1jb0 h VAL 351 CO -0.06 0.18 -0.12 0.00 0.02 0.00 0.00 177.57 177.58 1jb0 h ALA 352 N 1.49 0.30 -0.41 1.67 0.00 -0.61 -1.83 119.26 119.87 1jb0 h ALA 352 Ca 0.45 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1jb0 h ALA 352 Cb 0.36 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1jb0 h ALA 352 CO -0.23 0.16 0.16 1.96 0.00 0.00 0.00 179.25 181.30 1jb0 h GLN 353 N 0.16 0.62 0.00 0.00 1.08 0.09 -3.19 115.11 113.86 1jb0 h GLN 353 Ca 0.04 -0.11 -0.06 0.00 -1.45 0.00 0.00 58.65 57.07 1jb0 h GLN 353 Cb 0.63 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.95 1jb0 h GLN 353 CO 0.04 0.58 -0.28 0.45 -0.95 0.00 0.00 178.83 178.67 1jb0 h HIS 354 N 0.52 0.00 0.00 2.96 3.86 -0.67 -3.28 115.15 118.54 1jb0 h HIS 354 Ca 0.14 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.19 1jb0 h HIS 354 Cb 0.20 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 1jb0 h HIS 354 CO 0.00 0.28 -0.72 0.52 0.86 0.00 0.00 177.93 178.87 1jb0 h MET 355 N 0.00 0.00 0.04 2.45 2.86 -1.33 0.57 114.93 119.52 1jb0 h MET 355 Ca -0.00 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.39 1jb0 h MET 355 Cb 1.18 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.82 1jb0 h MET 355 CO 0.04 0.72 -1.19 0.10 1.06 0.00 0.00 176.91 177.64 1jb0 h TYR 356 N 0.00 0.16 0.00 -0.22 -0.00 -1.65 -3.11 116.97 112.15 1jb0 h TYR 356 Ca -0.01 -0.12 -0.28 0.00 0.00 0.00 0.00 58.73 58.32 1jb0 h TYR 356 Cb 1.55 -0.01 -0.05 0.00 0.00 0.00 0.00 36.73 38.22 1jb0 h TYR 356 CO 0.00 1.11 -1.65 0.66 -0.00 0.00 0.00 178.16 178.27 1jb0 h SER 357 N 0.02 0.00 -2.20 0.10 4.64 -1.63 -3.40 113.55 111.08 1jb0 h SER 357 Ca -0.10 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.65 1jb0 h SER 357 Cb 1.87 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 63.55 1jb0 h SER 357 CO 0.14 0.98 -0.74 0.18 -0.87 0.00 0.00 176.83 176.53 1jb0 n LEU 358 N -3.06 3.45 -4.39 5.97 4.77 0.19 -3.71 117.00 120.23 1jb0 n LEU 358 Ca -0.16 -5.45 -0.62 0.00 -0.03 0.00 0.00 56.01 49.76 1jb0 n LEU 358 Cb 1.04 -0.32 -0.09 0.00 -2.33 0.00 0.00 43.42 41.72 1jb0 n LEU 358 CO 0.45 2.24 0.96 -2.65 -1.33 0.00 0.00 177.39 177.06 1jb0 n PRO 359 N 0.26 0.00 0.00 3.23 -0.02 -1.18 -4.67 135.00 132.62 1jb0 n PRO 359 Ca 0.29 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.87 1jb0 n PRO 359 Cb 0.44 -1.40 -0.07 0.00 -0.02 0.00 0.00 33.50 32.45 1jb0 n PRO 359 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1jb0 n PRO 360 N 3.23 0.70 -4.90 0.52 -0.04 -1.26 -1.09 135.00 132.16 1jb0 n PRO 360 Ca 0.27 -0.37 -0.33 0.00 -0.04 0.00 0.00 63.50 63.03 1jb0 n PRO 360 Cb -0.03 -1.45 -0.14 0.00 -0.04 0.00 0.00 33.50 31.84 1jb0 n PRO 360 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1jb0 s TYR 361 N -2.70 2.71 -0.09 0.54 4.12 -1.26 -4.53 117.35 116.14 1jb0 s TYR 361 Ca 0.11 -0.40 -0.37 0.00 0.02 0.00 0.00 57.07 56.43 1jb0 s TYR 361 Cb 0.16 -1.70 -0.15 0.00 -1.52 0.00 0.00 41.96 38.75 1jb0 s TYR 361 CO 0.72 -0.01 1.63 0.00 0.02 0.00 0.00 175.55 177.92 1jb0 n ALA 362 N 2.82 -0.05 -0.66 3.71 0.00 -1.26 -1.99 120.51 123.08 1jb0 n ALA 362 Ca -0.18 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1jb0 n ALA 362 Cb 0.52 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.73 1jb0 n ALA 362 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1jb0 n PHE 363 N 4.55 0.00 0.22 0.00 3.01 -0.43 -4.83 117.46 119.99 1jb0 n PHE 363 Ca 0.22 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.74 1jb0 n PHE 363 Cb 0.19 -1.02 0.50 0.00 -0.01 0.00 0.00 39.48 39.15 1jb0 n PHE 363 CO 0.00 0.00 0.00 0.97 1.01 0.00 0.00 176.76 178.74 1jb0 h ILE 364 N 0.00 1.13 0.00 4.37 2.10 -1.63 -1.22 117.51 122.26 1jb0 h ILE 364 Ca 0.00 -0.61 0.00 0.00 1.08 0.00 0.00 64.86 65.33 1jb0 h ILE 364 Cb 0.00 1.33 0.00 0.00 -1.09 0.00 0.00 36.82 37.06 1jb0 h ILE 364 CO 0.00 0.18 0.00 0.00 -1.08 0.00 0.00 178.15 177.25 1jb0 n ALA 365 N -2.51 1.31 0.10 0.18 0.00 -1.26 -1.06 120.51 117.27 1jb0 n ALA 365 Ca -0.02 0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.64 1jb0 n ALA 365 Cb 0.24 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 18.39 1jb0 n ALA 365 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jb0 n GLN 366 N -2.09 0.61 -2.87 0.00 6.02 -0.46 -4.57 117.38 114.01 1jb0 n GLN 366 Ca 0.00 0.13 -0.44 0.00 -0.01 0.00 0.00 57.00 56.69 1jb0 n GLN 366 Cb 0.11 -1.82 -0.02 0.00 1.02 0.00 0.00 30.24 29.53 1jb0 n GLN 366 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1jb0 s ASP 367 N -5.38 6.71 0.25 1.08 -1.08 -0.22 -4.87 116.67 113.16 1jb0 s ASP 367 Ca -0.01 -2.19 -0.05 0.00 -0.52 0.00 0.00 52.55 49.78 1jb0 s ASP 367 Cb 0.10 -2.43 0.27 0.00 -1.46 0.00 0.00 42.92 39.40 1jb0 s ASP 367 CO 0.79 -1.05 1.88 0.45 0.52 0.00 0.00 175.17 177.76 1jb0 h HIS 368 N 8.55 1.18 -0.55 -5.34 3.86 -1.80 -2.12 115.15 118.92 1jb0 h HIS 368 Ca 0.21 -0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.29 1jb0 h HIS 368 Cb 0.99 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 29.06 1jb0 h HIS 368 CO 1.18 0.80 -0.07 1.15 0.86 0.00 0.00 177.93 181.85 1jb0 h THR 369 N 1.21 1.27 0.00 2.45 2.02 -1.89 -1.69 112.91 116.27 1jb0 h THR 369 Ca 0.31 -1.22 -0.10 0.00 0.77 0.00 0.00 66.41 66.17 1jb0 h THR 369 Cb 0.00 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1jb0 h THR 369 CO -0.05 0.44 -0.48 0.71 0.37 0.00 0.00 175.52 176.50 1jb0 h THR 370 N 0.91 0.99 -0.27 3.16 1.35 -1.72 -1.32 112.91 116.01 1jb0 h THR 370 Ca 0.15 -1.91 -0.16 0.00 -0.55 0.00 0.00 66.41 63.94 1jb0 h THR 370 Cb 0.64 2.15 -0.01 0.00 -1.73 0.00 0.00 68.15 69.20 1jb0 h THR 370 CO 0.04 0.47 -0.46 0.24 -0.25 0.00 0.00 175.52 175.56 1jb0 h MET 371 N 0.00 0.71 -0.40 4.72 2.86 -1.13 -0.03 114.93 121.65 1jb0 h MET 371 Ca -0.00 -0.40 -0.04 0.00 -2.06 0.00 0.00 59.70 57.20 1jb0 h MET 371 Cb 1.11 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.78 1jb0 h MET 371 CO 0.06 1.02 0.10 0.00 1.06 0.00 0.00 176.91 179.15 1jb0 h ALA 372 N 0.92 0.52 -0.32 6.32 0.00 -1.14 -2.38 119.26 123.18 1jb0 h ALA 372 Ca 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1jb0 h ALA 372 Cb 1.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1jb0 h ALA 372 CO 0.10 0.19 0.13 0.00 0.00 0.00 0.00 179.25 179.67 1jb0 h ALA 373 N 0.95 0.41 -0.53 0.00 0.00 -1.07 -1.99 119.26 117.03 1jb0 h ALA 373 Ca 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1jb0 h ALA 373 Cb 0.30 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1jb0 h ALA 373 CO 0.00 -0.00 0.25 -0.07 0.00 0.00 0.00 179.25 179.43 1jb0 h LEU 374 N 0.37 0.67 -0.06 0.00 3.38 -0.94 0.23 115.31 118.97 1jb0 h LEU 374 Ca 0.11 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1jb0 h LEU 374 Cb 0.17 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1jb0 h LEU 374 CO -0.01 0.58 -0.29 0.22 0.09 0.00 0.00 178.44 179.03 1jb0 h TYR 375 N 0.75 0.41 -0.05 1.13 3.20 -1.30 -2.74 116.97 118.38 1jb0 h TYR 375 Ca 0.19 -0.18 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 1jb0 h TYR 375 Cb 0.09 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.29 1jb0 h TYR 375 CO 0.01 0.91 0.03 1.15 -1.64 0.00 0.00 178.16 178.62 1jb0 h THR 376 N -0.22 1.04 0.11 1.81 2.02 -1.19 -1.86 112.91 114.62 1jb0 h THR 376 Ca -0.02 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 67.06 1jb0 h THR 376 Cb 0.95 1.03 -0.05 0.00 -1.74 0.00 0.00 68.15 68.35 1jb0 h THR 376 CO 0.06 0.04 -0.43 -0.74 0.37 0.00 0.00 175.52 174.82 1jb0 h HIS 377 N 0.03 -1.20 0.00 3.16 -0.00 -1.03 -0.65 115.15 115.46 1jb0 h HIS 377 Ca 0.02 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.38 1jb0 h HIS 377 Cb 0.03 0.51 -0.01 0.00 -0.00 0.00 0.00 27.41 27.95 1jb0 h HIS 377 CO -0.06 -0.52 -0.21 0.45 -0.00 0.00 0.00 177.93 177.59 1jb0 h HIS 378 N -0.66 0.00 0.00 5.26 -0.00 -1.45 -0.88 115.15 117.43 1jb0 h HIS 378 Ca 0.02 0.00 -0.23 0.00 -0.00 0.00 0.00 60.37 60.16 1jb0 h HIS 378 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.10 1jb0 h HIS 378 CO -0.38 0.21 -0.95 1.96 -0.00 0.00 0.00 177.93 178.77 1jb0 h GLN 379 N 0.00 0.42 -0.45 2.45 1.08 -0.94 -1.44 115.11 116.23 1jb0 h GLN 379 Ca -0.00 -0.45 -0.10 0.00 -1.45 0.00 0.00 58.65 56.64 1jb0 h GLN 379 Cb 0.45 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.99 1jb0 h GLN 379 CO 0.03 1.11 -0.12 1.88 -0.95 0.00 0.00 178.83 180.78 1jb0 h TYR 380 N 0.24 0.99 -0.64 2.96 -1.99 -0.73 -1.93 116.97 115.87 1jb0 h TYR 380 Ca -0.08 -0.22 0.05 0.00 2.00 0.00 0.00 58.73 60.48 1jb0 h TYR 380 Cb 1.58 -0.24 -0.05 0.00 2.00 0.00 0.00 36.73 40.02 1jb0 h TYR 380 CO 0.06 0.98 0.36 0.82 -0.00 0.00 0.00 178.16 180.38 1jb0 h ILE 381 N 0.72 0.99 -0.82 -2.88 1.08 -1.11 -1.94 117.51 113.54 1jb0 h ILE 381 Ca 0.11 -0.23 -0.01 0.00 -0.39 0.00 0.00 64.86 64.34 1jb0 h ILE 381 Cb 0.67 0.26 -0.04 0.00 -3.07 0.00 0.00 36.82 34.63 1jb0 h ILE 381 CO 0.05 0.12 0.47 0.00 -0.69 0.00 0.00 178.15 178.10 1jb0 h ALA 382 N 1.32 1.27 -0.57 1.87 0.00 -0.97 -1.59 119.26 120.59 1jb0 h ALA 382 Ca 0.28 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1jb0 h ALA 382 Cb 0.15 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1jb0 h ALA 382 CO -0.16 0.60 0.01 0.78 0.00 0.00 0.00 179.25 180.48 1jb0 h GLY 383 N 1.17 1.06 0.85 0.00 0.00 -0.62 -0.59 103.07 104.93 1jb0 h GLY 383 Ca 0.29 -0.74 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 1jb0 h GLY 383 CO -0.05 0.69 0.01 0.74 0.00 0.00 0.00 176.54 177.93 1jb0 h PHE 384 N 0.90 0.45 -0.14 5.60 -1.00 -1.03 -1.90 116.94 119.82 1jb0 h PHE 384 Ca 0.17 -0.07 0.03 0.00 2.81 0.00 0.00 57.97 60.90 1jb0 h PHE 384 Cb 0.51 -0.12 -0.03 0.00 3.61 0.00 0.00 35.95 39.92 1jb0 h PHE 384 CO 0.03 0.57 -0.04 -0.07 -1.61 0.00 0.00 178.31 177.19 1jb0 h LEU 385 N 0.20 -0.15 -0.91 1.54 3.38 -1.10 -0.80 115.31 117.46 1jb0 h LEU 385 Ca 0.07 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1jb0 h LEU 385 Cb 0.38 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 1jb0 h LEU 385 CO 0.01 -0.06 0.59 0.24 0.09 0.00 0.00 178.44 179.31 1jb0 h MET 386 N -0.01 1.12 -0.64 1.13 2.86 -1.07 0.73 114.93 119.05 1jb0 h MET 386 Ca 0.07 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.56 1jb0 h MET 386 Cb 0.12 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.50 1jb0 h MET 386 CO -0.15 0.74 0.06 0.28 1.06 0.00 0.00 176.91 178.89 1jb0 h VAL 387 N 1.15 1.26 -0.36 -2.22 2.07 -0.94 -2.84 116.25 114.37 1jb0 h VAL 387 Ca 0.36 -1.09 -0.08 0.00 0.82 0.00 0.00 66.70 66.71 1jb0 h VAL 387 Cb -0.01 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1jb0 h VAL 387 CO -0.12 0.40 -0.11 1.23 0.02 0.00 0.00 177.57 178.99 1jb0 h GLY 388 N 1.02 0.67 0.91 2.17 0.00 -0.20 -1.36 103.07 106.29 1jb0 h GLY 388 Ca 0.19 -0.48 0.02 0.00 0.00 0.00 0.00 47.33 47.06 1jb0 h GLY 388 CO 0.02 0.44 0.32 0.00 0.00 0.00 0.00 176.54 177.32 1jb0 h ALA 389 N 1.31 0.66 0.00 3.60 0.00 -0.71 -0.28 119.26 123.83 1jb0 h ALA 389 Ca 0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1jb0 h ALA 389 Cb 0.53 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1jb0 h ALA 389 CO 0.03 0.03 -0.17 0.74 0.00 0.00 0.00 179.25 179.88 1jb0 h PHE 390 N 0.63 0.00 -0.09 0.00 -1.00 -1.26 -2.31 116.94 112.91 1jb0 h PHE 390 Ca 0.20 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.91 1jb0 h PHE 390 Cb -0.01 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1jb0 h PHE 390 CO -0.06 0.17 -0.21 0.00 -1.61 0.00 0.00 178.31 176.61 1jb0 h ALA 391 N 1.83 0.15 0.00 2.45 0.00 -0.47 -2.19 119.26 121.03 1jb0 h ALA 391 Ca -0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1jb0 h ALA 391 Cb 0.89 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1jb0 h ALA 391 CO 0.02 0.11 -0.01 0.45 0.00 0.00 0.00 179.25 179.82 1jb0 h HIS 392 N -0.15 0.00 -0.20 0.00 3.86 -1.05 -1.34 115.15 116.26 1jb0 h HIS 392 Ca -0.00 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.03 1jb0 h HIS 392 Cb 0.81 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.28 1jb0 h HIS 392 CO 0.11 0.01 -0.57 0.78 0.86 0.00 0.00 177.93 179.12 1jb0 h GLY 393 N 2.60 0.82 1.79 2.45 0.00 -1.28 0.35 103.07 109.80 1jb0 h GLY 393 Ca -0.00 -1.04 -0.12 0.00 0.00 0.00 0.00 47.33 46.17 1jb0 h GLY 393 CO 0.00 0.93 -0.48 0.00 0.00 0.00 0.00 176.54 176.99 1jb0 h ALA 394 N 0.59 1.03 -0.47 3.60 0.00 -0.94 -2.13 119.26 120.95 1jb0 h ALA 394 Ca -0.01 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.30 1jb0 h ALA 394 Cb 1.19 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1jb0 h ALA 394 CO 0.12 0.64 -0.24 0.82 0.00 0.00 0.00 179.25 180.59 1jb0 h ILE 395 N 0.18 1.27 -0.52 0.00 2.04 -1.06 -2.26 117.51 117.16 1jb0 h ILE 395 Ca 0.01 -1.41 0.02 0.00 1.00 0.00 0.00 64.86 64.48 1jb0 h ILE 395 Cb 0.92 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 38.12 1jb0 h ILE 395 CO 0.07 0.48 0.31 0.15 0.00 0.00 0.00 178.15 179.17 1jb0 h PHE 396 N 0.84 0.59 0.00 1.37 3.57 -0.71 0.68 116.94 123.27 1jb0 h PHE 396 Ca 0.10 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 1jb0 h PHE 396 Cb 0.82 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1jb0 h PHE 396 CO 0.05 0.34 -0.22 -0.07 -2.23 0.00 0.00 178.31 176.18 1jb0 h LEU 397 N 0.63 0.00 0.10 0.59 3.38 -1.15 0.96 115.31 119.83 1jb0 h LEU 397 Ca 0.20 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.83 1jb0 h LEU 397 Cb 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1jb0 h LEU 397 CO -0.09 0.22 -1.86 0.58 0.09 0.00 0.00 178.44 177.39 1jb0 h VAL 398 N 0.00 0.76 0.00 1.22 2.07 -0.81 -3.37 116.25 116.12 1jb0 h VAL 398 Ca -0.00 -2.49 -0.08 0.00 0.82 0.00 0.00 66.70 64.95 1jb0 h VAL 398 Cb 0.40 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1jb0 h VAL 398 CO 0.03 0.80 -1.85 0.54 0.02 0.00 0.00 177.57 177.11 1jb0 n ARG 399 N -3.40 0.76 0.00 1.57 1.74 0.17 -4.79 116.66 112.71 1jb0 n ARG 399 Ca -0.26 -0.12 0.00 0.00 -0.77 0.00 0.00 57.85 56.70 1jb0 n ARG 399 Cb 1.05 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 31.09 1jb0 n ARG 399 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1jb0 n ASP 400 N -2.21 4.87 -4.64 0.55 8.00 0.11 -5.03 116.55 118.20 1jb0 n ASP 400 Ca -0.09 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.99 1jb0 n ASP 400 Cb 0.59 0.79 -0.03 0.00 -0.02 0.00 0.00 41.12 42.45 1jb0 n ASP 400 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1jb0 s TYR 401 N -1.96 1.81 -0.40 1.24 5.04 0.05 -4.98 117.35 118.15 1jb0 s TYR 401 Ca 0.00 0.22 -0.10 0.00 -2.44 0.00 0.00 57.07 54.75 1jb0 s TYR 401 Cb 0.00 -4.00 0.06 0.00 0.35 0.00 0.00 41.96 38.37 1jb0 s TYR 401 CO 0.00 -3.90 0.24 0.34 -1.34 0.00 0.00 175.55 170.89 1jb0 s ASP 402 N 4.32 5.69 0.18 4.32 2.15 -1.26 -4.97 116.67 127.10 1jb0 s ASP 402 Ca 0.78 -1.28 -0.14 0.00 0.43 0.00 0.00 52.55 52.34 1jb0 s ASP 402 Cb -0.32 -2.01 0.17 0.00 -0.30 0.00 0.00 42.92 40.46 1jb0 s ASP 402 CO 0.32 -0.48 1.69 -0.65 -0.17 0.00 0.00 175.17 175.88 1jb0 h PRO 403 N 8.43 0.12 -0.72 4.34 0.11 -1.97 -2.33 132.00 139.99 1jb0 h PRO 403 Ca -0.24 -0.01 0.16 0.00 0.11 0.00 0.00 66.00 66.02 1jb0 h PRO 403 Cb 1.09 -0.03 -0.11 0.00 0.11 0.00 0.00 31.00 32.06 1jb0 h PRO 403 CO 0.72 0.08 0.12 0.00 -0.21 0.00 0.00 178.00 178.71 1jb0 h ALA 404 N 1.41 0.86 -0.09 -0.75 0.00 -1.98 0.26 119.26 118.98 1jb0 h ALA 404 Ca 0.24 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1jb0 h ALA 404 Cb 0.35 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1jb0 h ALA 404 CO -0.38 -0.37 0.00 1.04 0.00 0.00 0.00 179.25 179.54 1jb0 n GLN 405 N -5.21 1.24 0.00 0.00 6.02 -0.89 -3.60 117.38 114.94 1jb0 n GLN 405 Ca 0.13 -0.38 0.00 0.00 -0.01 0.00 0.00 57.00 56.75 1jb0 n GLN 405 Cb 0.45 -1.18 0.00 0.00 1.02 0.00 0.00 30.24 30.53 1jb0 n GLN 405 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1jb0 n ASN 406 N -0.28 0.46 -4.66 1.08 4.13 0.63 -4.67 115.26 111.95 1jb0 n ASN 406 Ca 0.08 -1.04 -0.51 0.00 1.68 0.00 0.00 54.58 54.80 1jb0 n ASN 406 Cb 0.11 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.30 1jb0 n ASN 406 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1jb0 n LYS 407 N -0.02 1.67 0.00 3.52 4.81 0.48 -1.25 118.16 127.37 1jb0 n LYS 407 Ca 0.00 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 58.05 1jb0 n LYS 407 Cb 0.17 -2.34 0.00 0.00 0.02 0.00 0.00 35.03 32.88 1jb0 n LYS 407 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jb0 n GLY 408 N 3.54 3.06 3.97 3.14 0.00 -1.26 -5.06 105.19 112.58 1jb0 n GLY 408 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 1jb0 n GLY 408 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jb0 s ASN 409 N -1.21 3.84 0.32 1.61 2.20 -0.38 -4.74 114.94 116.59 1jb0 s ASN 409 Ca 0.00 -0.08 0.07 0.00 -0.94 0.00 0.00 52.86 51.92 1jb0 s ASN 409 Cb 0.00 -0.17 0.78 0.00 -2.00 0.00 0.00 41.25 39.86 1jb0 s ASN 409 CO 0.00 -2.22 1.80 -0.37 -2.94 0.00 0.00 177.10 173.37 1jb0 h VAL 410 N -1.00 0.73 -0.18 3.54 -1.51 -1.43 0.15 116.25 116.55 1jb0 h VAL 410 Ca -0.40 -0.25 -0.01 0.00 -1.23 0.00 0.00 66.70 64.81 1jb0 h VAL 410 Cb 1.25 -0.07 -0.01 0.00 -2.13 0.00 0.00 31.29 30.34 1jb0 h VAL 410 CO 0.40 0.13 0.08 0.25 -1.23 0.00 0.00 177.57 177.20 1jb0 h LEU 411 N 0.73 0.25 -0.56 4.19 6.46 -1.88 -0.45 115.31 124.05 1jb0 h LEU 411 Ca 0.55 -0.15 -0.03 0.00 -0.12 0.00 0.00 57.88 58.14 1jb0 h LEU 411 Cb 0.90 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.74 1jb0 h LEU 411 CO -0.33 0.33 0.24 -0.78 -0.62 0.00 0.00 178.44 177.28 1jb0 h ASP 412 N 0.15 0.75 -0.52 1.25 3.58 -1.41 -2.07 116.42 118.16 1jb0 h ASP 412 Ca 0.06 -0.15 0.05 0.00 0.42 0.00 0.00 57.03 57.41 1jb0 h ASP 412 Cb 0.15 -0.19 -0.05 0.00 1.72 0.00 0.00 39.33 40.96 1jb0 h ASP 412 CO -0.01 0.70 0.25 0.03 -2.88 0.00 0.00 179.24 177.33 1jb0 h ARG 413 N 0.76 0.47 -0.28 0.28 3.08 -0.49 0.24 114.38 118.44 1jb0 h ARG 413 Ca 0.19 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.22 1jb0 h ARG 413 Cb 0.16 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1jb0 h ARG 413 CO -0.02 0.31 0.18 0.28 -1.07 0.00 0.00 179.97 179.65 1jb0 h VAL 414 N 0.48 1.06 -0.75 2.04 2.07 -0.78 -2.18 116.25 118.18 1jb0 h VAL 414 Ca 0.23 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.64 1jb0 h VAL 414 Cb 0.17 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1jb0 h VAL 414 CO -0.18 0.07 0.50 -0.07 0.02 0.00 0.00 177.57 177.91 1jb0 h LEU 415 N 0.36 0.85 -2.27 2.57 3.38 -0.84 -1.81 115.31 117.56 1jb0 h LEU 415 Ca 0.10 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1jb0 h LEU 415 Cb -0.03 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1jb0 h LEU 415 CO -0.03 0.61 -0.01 1.56 0.09 0.00 0.00 178.44 180.66 1jb0 h GLN 416 N 1.00 0.00 -0.31 1.13 1.08 -0.31 -2.67 115.11 115.03 1jb0 h GLN 416 Ca 0.28 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 57.25 1jb0 h GLN 416 Cb -0.08 0.00 -0.19 0.00 -0.05 0.00 0.00 27.48 27.16 1jb0 h GLN 416 CO -0.07 0.01 -0.66 -2.39 -0.95 0.00 0.00 178.83 174.77 1jb0 n HIS 417 N -4.11 1.12 -0.35 2.96 1.44 -0.72 -4.85 115.22 110.71 1jb0 n HIS 417 Ca -0.03 -1.77 0.10 0.00 -2.01 0.00 0.00 57.72 54.01 1jb0 n HIS 417 Cb 0.09 -0.28 0.28 0.00 0.12 0.00 0.00 29.99 30.20 1jb0 n HIS 417 CO 0.00 0.00 0.00 1.57 -2.81 0.00 0.00 176.34 175.10 1jb0 h LYS 418 N 1.51 0.83 0.00 -1.40 2.10 -1.09 -1.40 116.57 117.12 1jb0 h LYS 418 Ca 0.13 -0.05 -0.09 0.00 -2.00 0.00 0.00 60.65 58.65 1jb0 h LYS 418 Cb 1.25 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 32.38 1jb0 h LYS 418 CO 0.31 0.55 -0.42 1.05 -2.00 0.00 0.00 179.45 178.94 1jb0 h GLU 419 N 0.86 0.00 0.01 0.07 9.09 -1.88 -0.25 114.58 122.48 1jb0 h GLU 419 Ca 0.53 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.94 1jb0 h GLU 419 Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.80 1jb0 h GLU 419 CO -0.33 0.42 -0.00 0.00 0.05 0.00 0.00 179.01 179.15 1jb0 h ALA 420 N 1.58 -0.01 -0.10 1.06 0.00 -1.66 -1.09 119.26 119.03 1jb0 h ALA 420 Ca -0.00 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1jb0 h ALA 420 Cb 0.86 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1jb0 h ALA 420 CO 0.06 -0.38 -0.04 0.82 0.00 0.00 0.00 179.25 179.71 1jb0 h ILE 421 N -0.28 0.87 -0.35 0.00 2.04 -1.21 -2.27 117.51 116.31 1jb0 h ILE 421 Ca -0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1jb0 h ILE 421 Cb 0.27 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1jb0 h ILE 421 CO 0.00 0.00 0.07 0.40 0.00 0.00 0.00 178.15 178.62 1jb0 h ILE 422 N -0.02 1.23 -0.81 -0.67 2.04 -1.04 -2.33 117.51 115.91 1jb0 h ILE 422 Ca 0.05 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 65.12 1jb0 h ILE 422 Cb 0.10 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1jb0 h ILE 422 CO -0.12 0.27 0.54 0.77 0.00 0.00 0.00 178.15 179.61 1jb0 h SER 423 N 0.42 0.94 -0.27 1.72 4.64 -1.15 -0.19 113.55 119.67 1jb0 h SER 423 Ca 0.11 -0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.27 1jb0 h SER 423 Cb 0.33 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1jb0 h SER 423 CO 0.00 0.68 -0.37 0.45 -0.87 0.00 0.00 176.83 176.73 1jb0 h HIS 424 N 1.11 0.89 -0.57 4.77 3.86 -1.28 -1.09 115.15 122.85 1jb0 h HIS 424 Ca 0.30 -0.29 0.01 0.00 -1.16 0.00 0.00 60.37 59.23 1jb0 h HIS 424 Cb -0.12 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.14 1jb0 h HIS 424 CO 0.00 1.06 0.38 -0.07 0.86 0.00 0.00 177.93 180.16 1jb0 h LEU 425 N 0.47 0.63 -0.58 2.43 3.38 -1.02 0.11 115.31 120.72 1jb0 h LEU 425 Ca 0.03 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1jb0 h LEU 425 Cb 0.96 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 1jb0 h LEU 425 CO 0.09 0.45 0.22 -1.28 0.09 0.00 0.00 178.44 178.01 1jb0 h SER 426 N 0.74 0.81 0.12 -0.43 0.87 -0.74 -2.24 113.55 112.67 1jb0 h SER 426 Ca 0.21 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1jb0 h SER 426 Cb -0.04 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.71 1jb0 h SER 426 CO -0.05 0.77 -0.06 -0.25 -0.53 0.00 0.00 176.83 176.71 1jb0 h TRP 427 N 0.80 -0.15 -0.84 2.24 7.01 0.45 -1.62 115.95 123.86 1jb0 h TRP 427 Ca 0.19 -0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.26 1jb0 h TRP 427 Cb 0.22 0.05 -0.07 0.00 -2.10 0.00 0.00 29.16 27.26 1jb0 h TRP 427 CO 0.01 0.03 0.50 0.28 -2.79 0.00 0.00 178.44 176.48 1jb0 h VAL 428 N -0.30 0.99 0.09 2.65 2.07 -1.06 0.43 116.25 121.12 1jb0 h VAL 428 Ca -0.02 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1jb0 h VAL 428 Cb 0.24 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1jb0 h VAL 428 CO 0.03 0.16 -0.04 0.28 0.02 0.00 0.00 177.57 178.01 1jb0 h SER 429 N 0.89 -0.10 -0.54 0.57 0.02 -1.28 0.39 113.55 113.50 1jb0 h SER 429 Ca 0.38 -0.13 0.05 0.00 -0.84 0.00 0.00 61.79 61.25 1jb0 h SER 429 Cb 0.24 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.76 1jb0 h SER 429 CO -0.20 0.06 0.28 -0.07 -1.14 0.00 0.00 176.83 175.76 1jb0 h LEU 430 N -0.27 0.40 0.79 5.07 4.07 -0.87 0.20 115.31 124.71 1jb0 h LEU 430 Ca -0.01 0.03 -0.04 0.00 0.08 0.00 0.00 57.88 57.94 1jb0 h LEU 430 Cb 0.22 -0.05 0.01 0.00 1.08 0.00 0.00 40.66 41.92 1jb0 h LEU 430 CO 0.02 0.27 -0.39 0.15 -1.08 0.00 0.00 178.44 177.41 1jb0 h PHE 431 N 0.53 -1.01 -0.41 1.13 3.57 0.16 -0.68 116.94 120.23 1jb0 h PHE 431 Ca 0.24 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.78 1jb0 h PHE 431 Cb 0.15 0.34 -0.06 0.00 2.79 0.00 0.00 35.95 39.17 1jb0 h PHE 431 CO -0.10 -0.62 0.06 -0.07 -2.23 0.00 0.00 178.31 175.34 1jb0 h LEU 432 N -1.08 -0.04 0.12 0.59 3.38 0.03 -2.95 115.31 115.36 1jb0 h LEU 432 Ca -0.11 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1jb0 h LEU 432 Cb 0.83 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1jb0 h LEU 432 CO 0.17 0.01 -0.06 1.23 0.09 0.00 0.00 178.44 179.89 1jb0 h GLY 433 N 0.18 -0.17 0.39 0.83 0.00 -0.49 -0.79 103.07 103.02 1jb0 h GLY 433 Ca 0.20 0.06 0.11 0.00 0.00 0.00 0.00 47.33 47.70 1jb0 h GLY 433 CO -0.28 -0.06 0.34 0.74 0.00 0.00 0.00 176.54 177.28 1jb0 h PHE 434 N -0.38 0.60 0.14 5.60 0.05 -1.12 -0.56 116.94 121.27 1jb0 h PHE 434 Ca -0.02 0.03 -0.18 0.00 3.82 0.00 0.00 57.97 61.62 1jb0 h PHE 434 Cb 0.31 -0.16 0.02 0.00 2.00 0.00 0.00 35.95 38.12 1jb0 h PHE 434 CO -0.00 0.18 -0.81 0.45 -0.18 0.00 0.00 178.31 177.95 1jb0 h HIS 435 N 0.56 0.54 -0.31 -0.55 3.86 -1.51 -1.69 115.15 116.04 1jb0 h HIS 435 Ca 0.37 -0.39 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 1jb0 h HIS 435 Cb 0.44 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 1jb0 h HIS 435 CO -0.12 1.31 0.10 1.15 0.86 0.00 0.00 177.93 181.23 1jb0 h THR 436 N -0.38 1.20 -0.62 2.45 2.02 -1.10 0.19 112.91 116.67 1jb0 h THR 436 Ca -0.14 -0.63 -0.06 0.00 0.77 0.00 0.00 66.41 66.36 1jb0 h THR 436 Cb 1.64 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 69.05 1jb0 h THR 436 CO 0.15 0.21 0.16 0.25 0.37 0.00 0.00 175.52 176.66 1jb0 h LEU 437 N 0.34 0.90 -0.67 2.58 5.85 -1.22 -2.59 115.31 120.50 1jb0 h LEU 437 Ca 0.10 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1jb0 h LEU 437 Cb 0.23 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1jb0 h LEU 437 CO -0.00 0.86 0.44 1.23 -0.34 0.00 0.00 178.44 180.63 1jb0 h GLY 438 N 1.03 0.95 1.03 3.75 0.00 -0.36 -1.51 103.07 107.96 1jb0 h GLY 438 Ca 0.20 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 1jb0 h GLY 438 CO -0.00 0.35 -0.03 1.41 0.00 0.00 0.00 176.54 178.27 1jb0 h LEU 439 N 0.91 0.91 -0.50 3.11 3.38 -0.46 -0.52 115.31 122.15 1jb0 h LEU 439 Ca 0.24 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1jb0 h LEU 439 Cb -0.09 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 1jb0 h LEU 439 CO -0.05 1.01 0.27 1.88 0.09 0.00 0.00 178.44 181.64 1jb0 h TYR 440 N 0.79 0.69 -0.49 1.13 -1.99 -1.22 0.04 116.97 115.92 1jb0 h TYR 440 Ca 0.14 -0.02 -0.08 0.00 2.00 0.00 0.00 58.73 60.77 1jb0 h TYR 440 Cb 0.56 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 39.05 1jb0 h TYR 440 CO 0.04 0.52 -0.01 0.28 -0.00 0.00 0.00 178.16 178.99 1jb0 h VAL 441 N 0.66 1.25 0.34 -2.88 2.07 -1.14 0.11 116.25 116.66 1jb0 h VAL 441 Ca 0.17 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1jb0 h VAL 441 Cb 0.06 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1jb0 h VAL 441 CO -0.03 0.37 -0.21 -0.74 0.02 0.00 0.00 177.57 176.98 1jb0 h HIS 442 N 0.76 -0.55 -0.46 1.57 -0.00 -0.57 -1.78 115.15 114.12 1jb0 h HIS 442 Ca 0.14 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.54 1jb0 h HIS 442 Cb 0.48 0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 28.05 1jb0 h HIS 442 CO 0.03 -0.33 0.25 -0.91 -0.00 0.00 0.00 177.93 176.97 1jb0 h ASN 443 N -0.53 0.38 -0.26 3.26 2.35 -0.66 -1.48 115.58 118.64 1jb0 h ASN 443 Ca -0.04 0.01 0.05 0.00 -0.55 0.00 0.00 56.30 55.78 1jb0 h ASN 443 Cb 0.44 -0.06 -0.05 0.00 0.05 0.00 0.00 38.32 38.69 1jb0 h ASN 443 CO 0.04 0.27 -0.08 0.44 -1.65 0.00 0.00 177.43 176.45 1jb0 h ASP 444 N 0.50 -0.27 0.28 5.81 3.32 -0.57 0.10 116.42 125.58 1jb0 h ASP 444 Ca 0.19 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 1jb0 h ASP 444 Cb 0.06 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1jb0 h ASP 444 CO -0.11 -0.10 -0.18 0.58 -1.72 0.00 0.00 179.24 177.71 1jb0 h VAL 445 N -0.02 0.62 -0.70 -1.35 2.07 -1.04 0.15 116.25 115.99 1jb0 h VAL 445 Ca 0.13 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.67 1jb0 h VAL 445 Cb 0.21 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1jb0 h VAL 445 CO -0.28 0.00 0.44 0.58 0.02 0.00 0.00 177.57 178.34 1jb0 h VAL 446 N -0.44 1.12 -0.33 2.57 2.07 -1.07 -0.23 116.25 119.94 1jb0 h VAL 446 Ca -0.03 -0.30 -0.15 0.00 0.82 0.00 0.00 66.70 67.04 1jb0 h VAL 446 Cb 0.37 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1jb0 h VAL 446 CO 0.02 0.16 -0.38 0.58 0.02 0.00 0.00 177.57 177.97 1jb0 h VAL 447 N 0.88 1.28 -0.30 2.57 2.07 -0.69 -1.30 116.25 120.77 1jb0 h VAL 447 Ca 0.27 -1.55 -0.04 0.00 0.82 0.00 0.00 66.70 66.20 1jb0 h VAL 447 Cb -0.02 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1jb0 h VAL 447 CO -0.09 0.51 0.00 0.00 0.02 0.00 0.00 177.57 178.01 1jb0 h ALA 448 N 0.92 1.45 -0.19 1.67 0.00 -0.02 -2.30 119.26 120.79 1jb0 h ALA 448 Ca 0.06 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1jb0 h ALA 448 Cb 0.94 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1jb0 h ALA 448 CO 0.09 0.39 0.00 1.19 0.00 0.00 0.00 179.25 180.92 1jb0 n PHE 449 N -4.31 0.49 -1.02 0.00 3.72 -0.16 -4.88 117.46 111.31 1jb0 n PHE 449 Ca 0.01 -0.19 -0.01 0.00 -0.05 0.00 0.00 57.45 57.22 1jb0 n PHE 449 Cb 0.22 -0.13 -0.00 0.00 -0.94 0.00 0.00 39.48 38.63 1jb0 n PHE 449 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jb0 n GLY 450 N 0.45 0.48 2.43 1.37 0.00 -0.87 -4.98 105.19 104.07 1jb0 n GLY 450 Ca 0.08 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 1jb0 n GLY 450 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jb0 n THR 451 N -2.93 1.62 0.31 2.61 -2.24 -0.51 -4.91 114.28 108.23 1jb0 n THR 451 Ca -0.01 -4.96 0.17 0.00 -2.27 0.00 0.00 64.05 56.99 1jb0 n THR 451 Cb 0.05 -1.86 1.00 0.00 -2.10 0.00 0.00 70.33 67.42 1jb0 n THR 451 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1jb0 h PRO 452 N 3.89 0.00 0.00 -0.78 0.13 -1.84 -1.72 132.00 131.68 1jb0 h PRO 452 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1jb0 h PRO 452 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1jb0 h PRO 452 CO 0.73 0.01 0.00 1.05 -0.23 0.00 0.00 178.00 179.56 1jb0 h GLU 453 N 0.00 0.00 -0.04 0.86 9.09 -1.92 -2.25 114.58 120.32 1jb0 h GLU 453 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1jb0 h GLU 453 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.13 1jb0 h GLU 453 CO 0.00 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.69 1jb0 n LYS 454 N -2.44 1.53 -1.59 1.06 5.02 -0.65 -4.93 118.16 116.16 1jb0 n LYS 454 Ca 0.01 -0.78 -0.33 0.00 -2.02 0.00 0.00 58.31 55.18 1jb0 n LYS 454 Cb 0.18 -1.46 0.07 0.00 -0.02 0.00 0.00 35.03 33.80 1jb0 n LYS 454 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1jb0 s GLN 455 N -1.96 2.51 -0.44 1.97 -0.21 -0.85 -4.94 119.66 115.73 1jb0 s GLN 455 Ca 0.38 1.49 -0.16 0.00 0.02 0.00 0.00 55.36 57.09 1jb0 s GLN 455 Cb 0.20 -1.91 0.04 0.00 1.00 0.00 0.00 33.01 32.35 1jb0 s GLN 455 CO 0.32 -1.50 0.38 0.42 -2.12 0.00 0.00 175.29 172.80 1jb0 s ILE 456 N -2.28 5.20 -0.23 1.08 1.01 -1.26 -5.02 121.20 119.70 1jb0 s ILE 456 Ca 0.69 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 60.58 1jb0 s ILE 456 Cb -0.23 -4.05 0.05 0.00 0.01 0.00 0.00 42.46 38.24 1jb0 s ILE 456 CO 0.44 -0.47 -0.10 -0.76 0.00 0.00 0.00 174.94 174.04 1jb0 s LEU 457 N 1.79 2.79 -0.20 2.97 1.43 -1.26 -4.97 118.68 121.22 1jb0 s LEU 457 Ca 0.06 -1.13 -0.11 0.00 -1.03 0.00 0.00 54.13 51.92 1jb0 s LEU 457 Cb -0.21 -1.37 -0.05 0.00 0.03 0.00 0.00 46.19 44.59 1jb0 s LEU 457 CO 0.09 -0.17 0.18 -0.63 0.23 0.00 0.00 176.35 176.05 1jb0 s ILE 458 N 1.27 5.37 0.18 -0.59 1.09 -1.26 -4.95 121.20 122.30 1jb0 s ILE 458 Ca -0.05 0.28 -0.30 0.00 -1.10 0.00 0.00 60.65 59.48 1jb0 s ILE 458 Cb -0.18 -3.52 -0.08 0.00 -1.06 0.00 0.00 42.46 37.62 1jb0 s ILE 458 CO -0.07 0.40 1.17 -1.61 -0.10 0.00 0.00 174.94 174.73 1jb0 s GLU 459 N 0.60 4.51 -1.20 2.79 0.41 -1.26 -3.92 118.70 120.63 1jb0 s GLU 459 Ca 0.10 1.83 -0.08 0.00 -0.41 0.00 0.00 54.97 56.41 1jb0 s GLU 459 Cb -0.12 -3.26 -0.08 0.00 -1.78 0.00 0.00 34.13 28.89 1jb0 s GLU 459 CO 0.01 -0.06 2.58 -2.30 -0.49 0.00 0.00 175.26 175.01 1jb0 n PRO 460 N 2.56 2.83 -0.17 0.39 -0.02 -1.26 -4.67 135.00 134.66 1jb0 n PRO 460 Ca 0.04 -1.77 -0.02 0.00 -2.02 0.00 0.00 63.50 59.73 1jb0 n PRO 460 Cb 0.45 -2.58 0.19 0.00 -0.02 0.00 0.00 33.50 31.54 1jb0 n PRO 460 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1jb0 h VAL 461 N 3.14 1.22 -0.41 -1.45 -1.51 -1.98 0.55 116.25 115.81 1jb0 h VAL 461 Ca 0.66 -0.67 -0.09 0.00 -1.23 0.00 0.00 66.70 65.37 1jb0 h VAL 461 Cb 0.29 0.45 -0.02 0.00 -2.13 0.00 0.00 31.29 29.88 1jb0 h VAL 461 CO 1.53 0.27 -0.10 -0.26 -1.23 0.00 0.00 177.57 177.78 1jb0 h PHE 462 N 0.91 0.79 -0.06 5.19 0.05 -1.99 0.24 116.94 122.06 1jb0 h PHE 462 Ca 0.22 -0.13 -0.02 0.00 3.82 0.00 0.00 57.97 61.85 1jb0 h PHE 462 Cb 0.16 -0.21 -0.00 0.00 2.00 0.00 0.00 35.95 37.90 1jb0 h PHE 462 CO 0.01 0.79 -0.04 0.00 -0.18 0.00 0.00 178.31 178.89 1jb0 h ALA 463 N 1.23 0.08 -0.83 2.45 0.00 -1.85 -2.39 119.26 117.96 1jb0 h ALA 463 Ca 0.12 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1jb0 h ALA 463 Cb 0.55 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1jb0 h ALA 463 CO 0.03 -0.15 0.55 1.96 0.00 0.00 0.00 179.25 181.65 1jb0 h GLN 464 N -0.28 1.09 -0.80 0.00 4.20 -0.78 -1.32 115.11 117.22 1jb0 h GLN 464 Ca 0.01 -0.07 0.07 0.00 0.06 0.00 0.00 58.65 58.73 1jb0 h GLN 464 Cb 0.51 -0.25 -0.06 0.00 0.30 0.00 0.00 27.48 27.98 1jb0 h GLN 464 CO 0.01 0.72 0.47 0.35 -0.67 0.00 0.00 178.83 179.71 1jb0 h PHE 465 N 1.12 0.86 -0.65 2.96 3.57 -0.45 0.22 116.94 124.57 1jb0 h PHE 465 Ca 0.31 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.79 1jb0 h PHE 465 Cb -0.12 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.32 1jb0 h PHE 465 CO -0.01 0.41 0.23 0.82 -2.23 0.00 0.00 178.31 177.52 1jb0 h ILE 466 N 0.84 1.24 -0.80 1.41 2.04 -0.75 0.50 117.51 121.99 1jb0 h ILE 466 Ca 0.36 -0.80 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 1jb0 h ILE 466 Cb 0.24 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 1jb0 h ILE 466 CO -0.20 0.31 0.41 1.56 0.00 0.00 0.00 178.15 180.23 1jb0 h GLN 467 N 0.93 1.14 0.15 2.37 4.20 -0.24 -1.56 115.11 122.11 1jb0 h GLN 467 Ca 0.21 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1jb0 h GLN 467 Cb 0.25 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 1jb0 h GLN 467 CO -0.01 0.86 -0.09 0.00 -0.67 0.00 0.00 178.83 178.92 1jb0 h ALA 468 N 1.21 -0.22 -0.56 3.87 0.00 0.23 -1.31 119.26 122.48 1jb0 h ALA 468 Ca 0.28 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.31 1jb0 h ALA 468 Cb 0.08 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1jb0 h ALA 468 CO -0.04 -0.63 0.49 0.00 0.00 0.00 0.00 179.25 179.08 1jb0 h ALA 469 N 0.61 2.38 -0.00 0.00 0.00 0.47 0.39 119.26 123.11 1jb0 h ALA 469 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jb0 h ALA 469 Cb 0.19 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1jb0 h ALA 469 CO 0.02 -0.78 -0.06 0.72 0.00 0.00 0.00 179.25 179.14 1jb0 n HIS 470 N -3.96 0.00 0.00 0.00 -0.00 -0.55 -4.24 115.22 106.47 1jb0 n HIS 470 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.83 1jb0 n HIS 470 Cb 0.72 -0.14 0.00 0.00 -0.00 0.00 0.00 29.99 30.57 1jb0 n HIS 470 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1jb0 n GLY 471 N 1.21 0.88 3.59 -1.41 0.00 0.14 -4.87 105.19 104.72 1jb0 n GLY 471 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1jb0 n GLY 471 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jb0 s LYS 472 N -0.31 3.55 0.25 1.61 2.20 -0.86 -4.71 119.74 121.48 1jb0 s LYS 472 Ca 0.00 0.49 -0.01 0.00 -0.36 0.00 0.00 55.97 56.09 1jb0 s LYS 472 Cb 0.00 -4.00 0.30 0.00 -1.51 0.00 0.00 37.83 32.62 1jb0 s LYS 472 CO 0.00 -1.61 1.68 -0.07 -0.36 0.00 0.00 175.35 174.98 1jb0 h LEU 473 N 11.94 0.63 -0.53 5.43 3.38 -1.89 -3.36 115.31 130.91 1jb0 h LEU 473 Ca -0.25 -0.22 0.16 0.00 0.09 0.00 0.00 57.88 57.66 1jb0 h LEU 473 Cb 1.07 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.55 1jb0 h LEU 473 CO 1.15 0.85 0.05 -0.11 0.09 0.00 0.00 178.44 180.48 1jb0 n LEU 474 N -4.12 -0.02 0.06 1.67 7.94 -1.26 0.96 117.00 122.23 1jb0 n LEU 474 Ca -0.00 0.89 0.13 0.00 -1.11 0.00 0.00 56.01 55.92 1jb0 n LEU 474 Cb 0.42 -0.34 0.38 0.00 0.53 0.00 0.00 43.42 44.41 1jb0 n LEU 474 CO 0.43 -0.92 0.73 -1.22 -1.11 0.00 0.00 177.39 175.31 1jb0 n TYR 475 N -4.56 0.54 -3.36 1.96 4.02 -1.26 -4.96 117.16 109.54 1jb0 n TYR 475 Ca 0.14 0.16 -0.21 0.00 -0.01 0.00 0.00 57.90 57.97 1jb0 n TYR 475 Cb 0.45 -0.70 0.06 0.00 -0.02 0.00 0.00 39.34 39.13 1jb0 n TYR 475 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jb0 n GLY 476 N 1.38 -0.41 0.06 2.72 0.00 0.27 -4.90 105.19 104.31 1jb0 n GLY 476 Ca 0.05 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.35 1jb0 n GLY 476 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1jb0 n PHE 477 N -4.69 0.56 -3.87 1.61 3.01 -1.26 -4.96 117.46 107.85 1jb0 n PHE 477 Ca -0.02 0.16 -0.32 0.00 1.01 0.00 0.00 57.45 58.28 1jb0 n PHE 477 Cb 0.57 -0.76 0.01 0.00 -0.01 0.00 0.00 39.48 39.29 1jb0 n PHE 477 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1jb0 n ASP 478 N -1.96 -4.18 -3.75 4.37 2.03 -1.26 -4.98 116.55 106.82 1jb0 n ASP 478 Ca 0.06 -1.05 -0.13 0.00 0.52 0.00 0.00 54.79 54.19 1jb0 n ASP 478 Cb 0.39 -1.48 -0.09 0.00 -0.72 0.00 0.00 41.12 39.22 1jb0 n ASP 478 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1jb0 s THR 479 N -3.22 0.03 0.00 5.18 -4.23 -1.26 -4.64 115.64 107.50 1jb0 s THR 479 Ca 0.20 -0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.44 1jb0 s THR 479 Cb -0.11 -0.57 0.00 0.00 1.34 0.00 0.00 72.50 73.16 1jb0 s THR 479 CO 0.87 -0.15 0.00 0.18 -0.54 0.00 0.00 174.62 174.98 1jb0 n LEU 480 N 1.95 0.00 0.00 4.79 4.77 -1.26 -1.85 117.00 125.39 1jb0 n LEU 480 Ca -0.18 0.71 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1jb0 n LEU 480 Cb 0.57 -1.06 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 1jb0 n LEU 480 CO 0.19 -0.66 0.00 0.18 -1.33 0.00 0.00 177.39 175.77 1jb0 n LEU 481 N 1.49 0.00 -0.08 2.23 4.77 -1.26 -4.07 117.00 120.08 1jb0 n LEU 481 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 1jb0 n LEU 481 Cb 0.00 -0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 40.89 1jb0 n LEU 481 CO 0.00 0.00 0.02 -0.24 -1.33 0.00 0.00 177.39 175.84 1jb0 n SER 482 N 0.00 1.04 -3.92 -1.43 2.88 -0.77 -4.12 113.62 107.29 1jb0 n SER 482 Ca 0.00 -1.02 -0.31 0.00 -1.33 0.00 0.00 58.87 56.22 1jb0 n SER 482 Cb 0.00 0.90 -0.15 0.00 -0.75 0.00 0.00 64.21 64.21 1jb0 n SER 482 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1jb0 s ASN 483 N -2.59 4.50 0.63 -3.46 3.84 -1.23 -4.16 114.94 112.47 1jb0 s ASN 483 Ca 0.09 -2.03 0.29 0.00 0.21 0.00 0.00 52.86 51.41 1jb0 s ASN 483 Cb 0.14 -1.38 1.56 0.00 -0.55 0.00 0.00 41.25 41.02 1jb0 s ASN 483 CO 0.68 -0.38 1.87 1.55 -2.79 0.00 0.00 177.10 178.03 1jb0 h PRO 484 N 7.71 0.00 -0.01 0.43 0.13 -1.95 0.16 132.00 138.47 1jb0 h PRO 484 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1jb0 h PRO 484 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1jb0 h PRO 484 CO 0.51 0.00 -0.44 -0.25 -0.23 0.00 0.00 178.00 177.59 1jb0 n ASP 485 N -2.81 1.73 -4.76 1.44 8.00 -1.26 -4.51 116.55 114.39 1jb0 n ASP 485 Ca -0.02 -1.33 -0.39 0.00 0.71 0.00 0.00 54.79 53.76 1jb0 n ASP 485 Cb 0.36 0.41 0.03 0.00 -0.02 0.00 0.00 41.12 41.90 1jb0 n ASP 485 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1jb0 s SER 486 N -2.51 5.60 0.51 -2.24 0.15 0.04 -4.82 113.70 110.43 1jb0 s SER 486 Ca 0.20 2.76 0.18 0.00 0.70 0.00 0.00 55.95 59.78 1jb0 s SER 486 Cb 0.18 -2.64 1.28 0.00 -1.71 0.00 0.00 66.02 63.13 1jb0 s SER 486 CO 0.57 -1.35 2.09 -0.29 1.20 0.00 0.00 173.24 175.46 1jb0 h ILE 487 N 1.79 0.92 -0.18 6.45 2.10 -1.93 -0.33 117.51 126.34 1jb0 h ILE 487 Ca -0.51 -0.02 -0.02 0.00 1.08 0.00 0.00 64.86 65.40 1jb0 h ILE 487 Cb 1.28 0.87 -0.01 0.00 -1.09 0.00 0.00 36.82 37.88 1jb0 h ILE 487 CO 0.59 0.01 0.05 0.00 -1.08 0.00 0.00 178.15 177.71 1jb0 h ALA 488 N 1.90 0.24 0.00 0.18 0.00 -1.92 0.46 119.26 120.11 1jb0 h ALA 488 Ca 0.09 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1jb0 h ALA 488 Cb 0.32 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1jb0 h ALA 488 CO -0.01 -0.12 -0.26 0.77 0.00 0.00 0.00 179.25 179.63 1jb0 h SER 489 N 0.11 0.00 0.16 0.00 0.02 -1.35 -3.21 113.55 109.28 1jb0 h SER 489 Ca 0.06 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.69 1jb0 h SER 489 Cb 0.26 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.74 1jb0 h SER 489 CO 0.00 0.26 -2.14 0.35 -1.14 0.00 0.00 176.83 174.16 1jb0 n THR 490 N -3.81 1.36 -3.55 -2.27 -2.24 -0.46 -4.97 114.28 98.35 1jb0 n THR 490 Ca -0.01 -0.81 -0.22 0.00 -2.27 0.00 0.00 64.05 60.73 1jb0 n THR 490 Cb 0.36 -0.60 0.08 0.00 -2.10 0.00 0.00 70.33 68.07 1jb0 n THR 490 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jb0 n ALA 491 N -2.65 -1.41 0.00 6.98 0.00 0.16 -3.65 120.51 119.93 1jb0 n ALA 491 Ca -0.26 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1jb0 n ALA 491 Cb 1.08 -4.91 0.00 0.00 0.00 0.00 0.00 19.45 15.63 1jb0 n ALA 491 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1jb0 n TRP 492 N -4.81 0.00 -0.27 0.00 -0.00 -1.22 0.13 117.44 111.27 1jb0 n TRP 492 Ca -0.04 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.54 1jb0 n TRP 492 Cb 0.58 0.00 0.22 0.00 -0.00 0.00 0.00 31.31 32.11 1jb0 n TRP 492 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 1jb0 h PRO 493 N 0.00 0.25 0.00 5.87 0.13 -1.94 -3.27 132.00 133.04 1jb0 h PRO 493 Ca 0.00 -0.02 -0.36 0.00 -0.87 0.00 0.00 66.00 64.76 1jb0 h PRO 493 Cb 0.00 -0.06 -0.07 0.00 0.13 0.00 0.00 31.00 31.01 1jb0 h PRO 493 CO 0.00 0.17 -2.35 0.27 -0.23 0.00 0.00 178.00 175.85 1jb0 n ASN 494 N -5.17 1.03 -3.53 1.44 6.94 -0.45 -5.01 115.26 110.51 1jb0 n ASN 494 Ca 0.17 -0.06 -0.24 0.00 -0.02 0.00 0.00 54.58 54.43 1jb0 n ASN 494 Cb 0.53 0.40 0.07 0.00 -2.36 0.00 0.00 39.78 38.42 1jb0 n ASN 494 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 1jb0 n TYR 495 N -2.93 -2.78 0.90 -2.53 4.02 0.36 -4.92 117.16 109.29 1jb0 n TYR 495 Ca -0.36 0.96 0.11 0.00 -0.01 0.00 0.00 57.90 58.59 1jb0 n TYR 495 Cb 1.06 -4.97 0.31 0.00 -0.02 0.00 0.00 39.34 35.71 1jb0 n TYR 495 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jb0 n GLY 496 N -1.95 0.78 0.00 2.72 0.00 -1.26 -4.71 105.19 100.76 1jb0 n GLY 496 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1jb0 n GLY 496 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jb0 n ASN 497 N 0.71 0.00 0.00 1.61 3.02 -1.26 -4.68 115.26 114.66 1jb0 n ASN 497 Ca 0.17 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.92 1jb0 n ASN 497 Cb 0.42 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 1jb0 n ASN 497 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1jb0 n VAL 498 N -0.42 0.00 0.20 2.41 0.31 -1.26 -4.38 118.33 115.19 1jb0 n VAL 498 Ca 0.00 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.42 1jb0 n VAL 498 Cb 0.00 0.00 0.15 0.00 -0.91 0.00 0.00 33.84 33.08 1jb0 n VAL 498 CO 0.00 0.00 0.00 4.11 -1.32 0.00 0.00 176.83 179.62 1jb0 h TRP 499 N 0.00 0.00 -0.89 3.52 0.09 -1.75 -3.37 115.95 113.55 1jb0 h TRP 499 Ca 0.00 0.00 0.11 0.00 0.09 0.00 0.00 58.89 59.09 1jb0 h TRP 499 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 29.16 29.16 1jb0 h TRP 499 CO 0.00 0.16 0.52 1.25 0.09 0.00 0.00 178.44 180.46 1jb0 h LEU 500 N 0.00 0.73 0.19 0.11 5.85 -1.82 -1.92 115.31 118.46 1jb0 h LEU 500 Ca -0.00 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1jb0 h LEU 500 Cb 1.10 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1jb0 h LEU 500 CO 0.02 0.38 -0.09 -0.65 -0.34 0.00 0.00 178.44 177.76 1jb0 h PRO 501 N 0.82 -0.25 -0.95 5.25 0.11 -1.86 -0.64 132.00 134.48 1jb0 h PRO 501 Ca 0.45 0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.64 1jb0 h PRO 501 Cb 0.47 0.06 -0.07 0.00 0.11 0.00 0.00 31.00 31.57 1jb0 h PRO 501 CO -0.28 -0.01 0.61 0.78 -0.21 0.00 0.00 178.00 178.88 1jb0 h GLY 502 N -0.46 1.46 0.79 -0.55 0.00 -1.64 0.33 103.07 103.00 1jb0 h GLY 502 Ca -0.03 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1jb0 h GLY 502 CO 0.04 0.30 0.02 -0.25 0.00 0.00 0.00 176.54 176.65 1jb0 h TRP 503 N 1.09 0.21 -0.30 5.60 2.91 -1.29 -2.05 115.95 122.11 1jb0 h TRP 503 Ca 0.42 -0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.36 1jb0 h TRP 503 Cb 0.19 -0.06 -0.02 0.00 -0.51 0.00 0.00 29.16 28.77 1jb0 h TRP 503 CO -0.01 0.39 -0.01 -0.07 -1.03 0.00 0.00 178.44 177.71 1jb0 h LEU 504 N -0.04 0.44 -0.27 0.65 3.38 -0.69 0.50 115.31 119.28 1jb0 h LEU 504 Ca 0.03 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1jb0 h LEU 504 Cb 0.30 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1jb0 h LEU 504 CO 0.00 0.51 0.14 -0.78 0.09 0.00 0.00 178.44 178.40 1jb0 h ASP 505 N 0.45 0.35 -0.43 -0.43 1.82 -0.77 -2.56 116.42 114.85 1jb0 h ASP 505 Ca 0.10 -0.11 -0.12 0.00 -0.39 0.00 0.00 57.03 56.51 1jb0 h ASP 505 Cb 0.31 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.22 1jb0 h ASP 505 CO 0.01 0.36 -0.19 0.00 -1.61 0.00 0.00 179.24 177.81 1jb0 h ALA 506 N 1.01 0.60 0.00 -0.78 0.00 -0.63 -2.48 119.26 116.98 1jb0 h ALA 506 Ca 0.09 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1jb0 h ALA 506 Cb 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1jb0 h ALA 506 CO -0.01 0.56 0.00 1.51 0.00 0.00 0.00 179.25 181.30 1jb0 n ILE 507 N -4.21 0.76 0.19 0.00 3.06 0.10 -3.54 119.36 115.72 1jb0 n ILE 507 Ca -0.01 0.09 0.07 0.00 -2.50 0.00 0.00 62.75 60.40 1jb0 n ILE 507 Cb 0.43 -1.02 -0.11 0.00 0.54 0.00 0.00 39.64 39.49 1jb0 n ILE 507 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1jb0 n ASN 508 N -2.29 1.29 -4.38 9.51 3.02 -0.97 -4.75 115.26 116.69 1jb0 n ASN 508 Ca 0.03 -0.24 -0.43 0.00 -0.03 0.00 0.00 54.58 53.91 1jb0 n ASN 508 Cb 0.29 1.50 0.00 0.00 -0.61 0.00 0.00 39.78 40.96 1jb0 n ASN 508 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1jb0 n SER 509 N -1.84 4.86 -2.33 6.41 3.41 -0.94 -4.86 113.62 118.33 1jb0 n SER 509 Ca -0.01 -2.93 0.00 0.00 -0.26 0.00 0.00 58.87 55.66 1jb0 n SER 509 Cb 0.35 -1.68 0.00 0.00 -0.26 0.00 0.00 64.21 62.62 1jb0 n SER 509 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jb0 n GLY 510 N 4.72 0.11 0.74 5.00 0.00 -1.26 -3.61 105.19 110.90 1jb0 n GLY 510 Ca 0.46 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.53 1jb0 n GLY 510 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jb0 n THR 511 N 1.20 2.27 -2.96 2.61 -2.24 -1.26 -5.02 114.28 108.87 1jb0 n THR 511 Ca 0.00 -2.42 0.00 0.00 -2.27 0.00 0.00 64.05 59.36 1jb0 n THR 511 Cb 0.00 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1jb0 n THR 511 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1jb0 n ASN 512 N -1.00 0.00 -0.31 3.42 0.23 -1.24 -5.07 115.26 111.29 1jb0 n ASN 512 Ca 0.24 -0.41 0.08 0.00 -0.53 0.00 0.00 54.58 53.95 1jb0 n ASN 512 Cb 0.85 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.71 1jb0 n ASN 512 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1jb0 n SER 513 N -0.87 2.75 -4.56 0.53 7.64 -1.26 -4.83 113.62 113.02 1jb0 n SER 513 Ca 0.00 -2.87 -0.38 0.00 1.01 0.00 0.00 58.87 56.63 1jb0 n SER 513 Cb 0.00 -0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 62.77 1jb0 n SER 513 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1jb0 s LEU 514 N -2.53 3.42 -0.50 -3.43 2.96 -1.24 -3.88 118.68 113.48 1jb0 s LEU 514 Ca 0.30 -1.25 -0.03 0.00 -0.22 0.00 0.00 54.13 52.94 1jb0 s LEU 514 Cb 0.25 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.34 1jb0 s LEU 514 CO 0.05 -1.79 0.44 0.49 -1.32 0.00 0.00 176.35 174.21 1jb0 n PHE 515 N 10.04 -1.17 -1.48 5.38 3.01 -1.26 -4.72 117.46 127.27 1jb0 n PHE 515 Ca 0.34 0.41 -0.42 0.00 1.01 0.00 0.00 57.45 58.79 1jb0 n PHE 515 Cb 0.50 -3.28 0.01 0.00 -0.01 0.00 0.00 39.48 36.70 1jb0 n PHE 515 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1jb0 n LEU 516 N -2.33 0.40 -4.77 4.37 4.77 -1.25 -4.88 117.00 113.31 1jb0 n LEU 516 Ca -0.04 0.94 -0.41 0.00 -0.03 0.00 0.00 56.01 56.47 1jb0 n LEU 516 Cb 0.56 -1.15 -0.01 0.00 -2.33 0.00 0.00 43.42 40.48 1jb0 n LEU 516 CO 0.28 -2.64 1.06 -0.89 -1.33 0.00 0.00 177.39 173.87 1jb0 s THR 517 N -1.42 2.47 0.17 -5.08 2.01 -1.26 -5.02 115.64 107.51 1jb0 s THR 517 Ca 0.63 0.45 0.06 0.00 0.31 0.00 0.00 61.69 63.15 1jb0 s THR 517 Cb -0.61 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.57 1jb0 s THR 517 CO 0.58 0.10 -0.13 0.27 -0.69 0.00 0.00 174.62 174.74 1jb0 s ILE 518 N -0.88 1.49 0.00 1.82 -4.36 -1.26 -5.09 121.20 112.93 1jb0 s ILE 518 Ca 0.53 -2.04 0.00 0.00 -0.26 0.00 0.00 60.65 58.88 1jb0 s ILE 518 Cb -0.43 -1.86 0.00 0.00 1.25 0.00 0.00 42.46 41.42 1jb0 s ILE 518 CO 0.54 -0.58 0.00 0.61 0.24 0.00 0.00 174.94 175.75 1jb0 n GLY 519 N -0.08 4.46 0.37 6.27 0.00 -1.26 -4.85 105.19 110.10 1jb0 n GLY 519 Ca -0.11 -1.12 0.13 0.00 0.00 0.00 0.00 46.02 44.92 1jb0 n GLY 519 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jb0 h PRO 520 N 0.00 0.60 -0.55 1.61 0.11 -1.92 -0.96 132.00 130.90 1jb0 h PRO 520 Ca 0.00 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.09 1jb0 h PRO 520 Cb 0.00 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 30.94 1jb0 h PRO 520 CO 0.00 0.40 0.35 0.78 -0.21 0.00 0.00 178.00 179.32 1jb0 h GLY 521 N 0.62 0.77 2.00 -0.55 0.00 -1.88 -1.01 103.07 103.03 1jb0 h GLY 521 Ca 0.42 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 1jb0 h GLY 521 CO -0.18 0.26 -0.26 -0.55 0.00 0.00 0.00 176.54 175.81 1jb0 h ASP 522 N 0.71 0.00 0.41 0.19 3.32 -1.58 -2.93 116.42 116.53 1jb0 h ASP 522 Ca 0.21 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 1jb0 h ASP 522 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1jb0 h ASP 522 CO -0.06 0.26 -0.20 0.15 -1.72 0.00 0.00 179.24 177.68 1jb0 h PHE 523 N 0.00 -0.51 -0.14 4.55 3.57 -0.31 -2.59 116.94 121.51 1jb0 h PHE 523 Ca -0.00 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.52 1jb0 h PHE 523 Cb 0.50 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.37 1jb0 h PHE 523 CO 0.00 -0.18 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.74 1jb0 h LEU 524 N -0.86 -0.27 -0.89 0.59 3.38 -1.20 -2.72 115.31 113.33 1jb0 h LEU 524 Ca -0.06 0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1jb0 h LEU 524 Cb 0.55 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 1jb0 h LEU 524 CO 0.09 -0.11 0.59 0.58 0.09 0.00 0.00 178.44 179.68 1jb0 h VAL 525 N -0.08 1.20 -0.16 1.22 2.07 -1.60 -1.47 116.25 117.43 1jb0 h VAL 525 Ca 0.08 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 67.24 1jb0 h VAL 525 Cb 0.20 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1jb0 h VAL 525 CO -0.19 0.22 0.12 0.45 0.02 0.00 0.00 177.57 178.19 1jb0 h HIS 526 N 1.18 0.00 0.00 1.57 3.86 -1.16 0.37 115.15 120.97 1jb0 h HIS 526 Ca 0.34 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.49 1jb0 h HIS 526 Cb -0.10 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 1jb0 h HIS 526 CO -0.01 0.00 -0.57 0.45 0.86 0.00 0.00 177.93 178.66 1jb0 h HIS 527 N 0.00 0.00 -0.23 2.45 -0.00 -1.04 -1.37 115.15 114.96 1jb0 h HIS 527 Ca 0.07 0.00 -0.17 0.00 -0.00 0.00 0.00 60.37 60.28 1jb0 h HIS 527 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.73 1jb0 h HIS 527 CO 0.00 0.22 -0.50 0.00 -0.00 0.00 0.00 177.93 177.65 1jb0 h ALA 528 N 1.78 0.37 -0.55 2.45 0.00 0.02 -0.44 119.26 122.88 1jb0 h ALA 528 Ca -0.02 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 1jb0 h ALA 528 Cb 1.19 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1jb0 h ALA 528 CO 0.03 0.56 0.00 0.82 0.00 0.00 0.00 179.25 180.65 1jb0 h ILE 529 N 0.48 1.26 -0.58 0.00 2.04 -0.35 -0.60 117.51 119.76 1jb0 h ILE 529 Ca 0.00 -1.09 -0.05 0.00 1.00 0.00 0.00 64.86 64.73 1jb0 h ILE 529 Cb 1.12 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 1jb0 h ILE 529 CO 0.11 0.39 0.18 0.00 0.00 0.00 0.00 178.15 178.83 1jb0 h ALA 530 N 1.12 0.76 -0.85 1.87 0.00 -1.03 -0.77 119.26 120.36 1jb0 h ALA 530 Ca 0.16 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1jb0 h ALA 530 Cb 0.51 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1jb0 h ALA 530 CO 0.03 0.43 0.56 1.25 0.00 0.00 0.00 179.25 181.51 1jb0 h LEU 531 N 0.82 0.92 -0.23 0.00 5.85 -0.43 -1.27 115.31 120.97 1jb0 h LEU 531 Ca 0.19 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.79 1jb0 h LEU 531 Cb 0.28 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1jb0 h LEU 531 CO -0.01 0.64 -0.28 1.23 -0.34 0.00 0.00 178.44 179.68 1jb0 h GLY 532 N 1.07 0.65 1.65 3.75 0.00 -0.58 -2.00 103.07 107.61 1jb0 h GLY 532 Ca 0.33 -0.70 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 1jb0 h GLY 532 CO -0.10 0.63 -0.12 1.41 0.00 0.00 0.00 176.54 178.36 1jb0 h LEU 533 N 0.29 0.41 0.03 3.11 3.38 -0.84 -1.95 115.31 119.75 1jb0 h LEU 533 Ca 0.03 -0.10 -0.22 0.00 0.09 0.00 0.00 57.88 57.68 1jb0 h LEU 533 Cb 0.85 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 41.51 1jb0 h LEU 533 CO 0.07 0.57 -0.87 0.45 0.09 0.00 0.00 178.44 178.75 1jb0 h HIS 534 N 0.40 0.82 -0.32 1.13 3.86 -1.18 -2.33 115.15 117.53 1jb0 h HIS 534 Ca 0.08 -0.47 -0.14 0.00 -1.16 0.00 0.00 60.37 58.68 1jb0 h HIS 534 Cb 0.46 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 1jb0 h HIS 534 CO 0.01 1.30 -0.37 1.15 0.86 0.00 0.00 177.93 180.89 1jb0 h THR 535 N 0.10 1.28 -0.51 2.45 2.02 -1.38 0.43 112.91 117.30 1jb0 h THR 535 Ca -0.12 -1.53 -0.11 0.00 0.77 0.00 0.00 66.41 65.42 1jb0 h THR 535 Cb 1.56 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 69.39 1jb0 h THR 535 CO 0.17 0.50 -0.10 0.74 0.37 0.00 0.00 175.52 177.20 1jb0 h THR 536 N 0.62 1.27 -0.30 3.16 2.02 -1.43 -1.16 112.91 117.08 1jb0 h THR 536 Ca 0.06 -1.24 -0.13 0.00 0.77 0.00 0.00 66.41 65.86 1jb0 h THR 536 Cb 0.91 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1jb0 h THR 536 CO 0.08 0.44 -0.35 0.74 0.37 0.00 0.00 175.52 176.80 1jb0 h THR 537 N 0.83 1.29 0.04 3.16 2.02 -1.25 -1.94 112.91 117.07 1jb0 h THR 537 Ca 0.13 -1.49 0.00 0.00 0.77 0.00 0.00 66.41 65.82 1jb0 h THR 537 Cb 0.66 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1jb0 h THR 537 CO 0.05 0.48 -0.03 0.25 0.37 0.00 0.00 175.52 176.64 1jb0 h LEU 538 N 0.56 -0.08 -0.56 2.58 5.85 0.33 0.20 115.31 124.19 1jb0 h LEU 538 Ca 0.06 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1jb0 h LEU 538 Cb 0.86 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 1jb0 h LEU 538 CO 0.07 -0.05 0.35 0.40 -0.34 0.00 0.00 178.44 178.87 1jb0 h ILE 539 N -0.08 1.16 -0.29 4.05 2.04 -1.14 0.19 117.51 123.44 1jb0 h ILE 539 Ca -0.00 -0.34 -0.17 0.00 1.00 0.00 0.00 64.86 65.35 1jb0 h ILE 539 Cb 0.07 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 1jb0 h ILE 539 CO -0.00 0.16 -0.48 -0.07 0.00 0.00 0.00 178.15 177.76 1jb0 h LEU 540 N 0.75 0.86 -0.11 1.44 3.38 -1.09 -0.72 115.31 119.82 1jb0 h LEU 540 Ca 0.20 -0.43 -0.11 0.00 0.09 0.00 0.00 57.88 57.63 1jb0 h LEU 540 Cb -0.04 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1jb0 h LEU 540 CO -0.04 1.20 -0.35 0.58 0.09 0.00 0.00 178.44 179.92 1jb0 h VAL 541 N 0.62 1.38 -0.80 1.22 2.07 -0.48 -1.43 116.25 118.84 1jb0 h VAL 541 Ca 0.03 -1.68 -0.03 0.00 0.82 0.00 0.00 66.70 65.84 1jb0 h VAL 541 Cb 1.06 2.15 -0.04 0.00 -1.52 0.00 0.00 31.29 32.95 1jb0 h VAL 541 CO 0.11 0.49 0.38 0.50 0.02 0.00 0.00 177.57 179.07 1jb0 h LYS 542 N 0.01 1.16 -0.72 1.57 3.11 -0.99 0.15 116.57 120.85 1jb0 h LYS 542 Ca -0.01 -0.17 -0.01 0.00 -2.81 0.00 0.00 60.65 57.64 1jb0 h LYS 542 Cb 0.98 -0.21 -0.03 0.00 -1.00 0.00 0.00 32.23 31.97 1jb0 h LYS 542 CO 0.07 0.90 0.42 0.78 -2.81 0.00 0.00 179.45 178.81 1jb0 h GLY 543 N 1.14 1.06 0.70 5.01 0.00 -1.01 -1.87 103.07 108.09 1jb0 h GLY 543 Ca 0.27 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 1jb0 h GLY 543 CO -0.03 0.45 -0.15 0.00 0.00 0.00 0.00 176.54 176.81 1jb0 h ALA 544 N 1.21 0.17 0.00 3.60 0.00 -0.84 -2.37 119.26 121.03 1jb0 h ALA 544 Ca 0.26 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jb0 h ALA 544 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1jb0 h ALA 544 CO -0.04 0.06 0.00 -0.07 0.00 0.00 0.00 179.25 179.20 1jb0 h LEU 545 N -0.11 0.00 -1.91 0.00 3.38 -0.60 -2.26 115.31 113.82 1jb0 h LEU 545 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1jb0 h LEU 545 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1jb0 h LEU 545 CO 0.03 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.03 1jb0 n ASP 546 N -2.86 2.63 -0.16 -0.43 8.00 -0.72 -4.57 116.55 118.44 1jb0 n ASP 546 Ca 0.01 -1.77 -0.02 0.00 0.71 0.00 0.00 54.79 53.72 1jb0 n ASP 546 Cb 0.26 -0.08 0.07 0.00 -0.02 0.00 0.00 41.12 41.35 1jb0 n ASP 546 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jb0 h ALA 547 N 3.28 0.53 0.00 2.24 0.00 -0.85 -1.92 119.26 122.54 1jb0 h ALA 547 Ca 0.00 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1jb0 h ALA 547 Cb 0.74 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1jb0 h ALA 547 CO 0.00 -0.35 -0.45 0.00 0.00 0.00 0.00 179.25 178.46 1jb0 h ARG 548 N 0.18 0.00 0.00 0.00 3.08 -1.81 -3.30 114.38 112.53 1jb0 h ARG 548 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1jb0 h ARG 548 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1jb0 h ARG 548 CO -0.37 0.45 0.00 0.41 -1.07 0.00 0.00 179.97 179.39 1jb0 n GLY 549 N 0.06 2.11 3.19 0.04 0.00 -0.72 -0.39 105.19 109.47 1jb0 n GLY 549 Ca -0.01 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 45.08 1jb0 n GLY 549 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jb0 n SER 550 N 0.00 -1.02 -0.02 1.61 3.41 -0.20 -4.57 113.62 112.82 1jb0 n SER 550 Ca 0.00 -2.98 -0.10 0.00 -0.26 0.00 0.00 58.87 55.53 1jb0 n SER 550 Cb 0.00 2.07 0.05 0.00 -0.26 0.00 0.00 64.21 66.07 1jb0 n SER 550 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1jb0 h LYS 551 N 0.00 0.64 0.00 4.33 1.79 -1.98 -0.08 116.57 121.26 1jb0 h LYS 551 Ca -0.25 -0.37 -0.05 0.00 -2.18 0.00 0.00 60.65 57.80 1jb0 h LYS 551 Cb 1.16 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.83 1jb0 h LYS 551 CO 0.35 0.98 -0.24 1.25 -1.08 0.00 0.00 179.45 180.70 1jb0 h LEU 552 N 0.51 0.00 -5.73 2.94 5.85 -1.99 -3.36 115.31 113.52 1jb0 h LEU 552 Ca 0.02 0.00 -0.39 0.00 0.84 0.00 0.00 57.88 58.36 1jb0 h LEU 552 Cb 1.03 0.00 -0.28 0.00 0.37 0.00 0.00 40.66 41.78 1jb0 h LEU 552 CO 0.10 0.24 -0.76 0.80 -0.34 0.00 0.00 178.44 178.49 1jb0 n MET 553 N -3.49 0.35 0.03 1.25 1.56 -1.09 -5.02 117.12 110.71 1jb0 n MET 553 Ca -0.00 -2.65 0.16 0.00 -0.27 0.00 0.00 57.70 54.94 1jb0 n MET 553 Cb 0.41 -1.57 0.64 0.00 2.15 0.00 0.00 33.22 34.85 1jb0 n MET 553 CO 0.00 0.00 0.00 -1.35 -0.73 0.00 0.00 175.97 173.89 1jb0 h PRO 554 N 5.32 0.08 -0.48 2.12 0.11 -1.17 -0.45 132.00 137.53 1jb0 h PRO 554 Ca 0.17 -0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.11 1jb0 h PRO 554 Cb 1.00 -0.02 -0.10 0.00 0.11 0.00 0.00 31.00 31.99 1jb0 h PRO 554 CO 0.21 0.05 0.10 -0.40 -0.21 0.00 0.00 178.00 177.75 1jb0 n ASP 555 N -4.43 3.61 -0.33 -2.05 5.75 -1.26 -4.54 116.55 113.29 1jb0 n ASP 555 Ca 0.07 -3.39 0.21 0.00 -0.01 0.00 0.00 54.79 51.67 1jb0 n ASP 555 Cb 0.47 -0.65 0.42 0.00 -1.03 0.00 0.00 41.12 40.33 1jb0 n ASP 555 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 1jb0 h LYS 556 N 1.65 0.36 -0.37 0.11 3.64 -1.40 0.78 116.57 121.34 1jb0 h LYS 556 Ca 0.20 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.67 1jb0 h LYS 556 Cb 1.87 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.60 1jb0 h LYS 556 CO 0.49 0.24 0.37 1.57 -2.27 0.00 0.00 179.45 179.84 1jb0 h LYS 557 N 0.37 0.00 0.00 1.90 2.10 -0.81 0.44 116.57 120.57 1jb0 h LYS 557 Ca 0.68 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.33 1jb0 h LYS 557 Cb 1.48 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.81 1jb0 h LYS 557 CO -0.58 0.00 0.00 -0.44 -2.00 0.00 0.00 179.45 176.43 1jb0 h ASP 558 N 0.00 0.00 -0.03 7.07 3.32 -1.13 -3.03 116.42 122.62 1jb0 h ASP 558 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1jb0 h ASP 558 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.46 1jb0 h ASP 558 CO -0.00 0.00 -0.06 0.49 -1.72 0.00 0.00 179.24 177.94 1jb0 n PHE 559 N -2.49 0.00 0.00 4.55 3.01 0.14 -5.09 117.46 117.59 1jb0 n PHE 559 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 1jb0 n PHE 559 Cb 0.30 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 1jb0 n PHE 559 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jb0 n GLY 560 N 1.36 -1.33 0.08 1.37 0.00 -1.15 -4.62 105.19 100.91 1jb0 n GLY 560 Ca 0.13 -1.55 -0.11 0.00 0.00 0.00 0.00 46.02 44.49 1jb0 n GLY 560 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1jb0 h TYR 561 N 0.00 0.15 -4.01 1.61 3.20 -1.91 -3.45 116.97 112.57 1jb0 h TYR 561 Ca 0.00 -0.01 -0.69 0.00 3.14 0.00 0.00 58.73 61.17 1jb0 h TYR 561 Cb 0.00 -0.05 -0.30 0.00 1.54 0.00 0.00 36.73 37.92 1jb0 h TYR 561 CO 0.00 0.23 -0.87 0.00 -1.64 0.00 0.00 178.16 175.88 1jb0 s ALA 562 N -5.64 2.23 -0.13 1.82 0.00 -1.26 -1.97 121.76 116.80 1jb0 s ALA 562 Ca -0.14 -1.04 -0.30 0.00 0.00 0.00 0.00 51.96 50.48 1jb0 s ALA 562 Cb 0.06 -0.72 0.12 0.00 0.00 0.00 0.00 23.12 22.58 1jb0 s ALA 562 CO 0.69 0.43 0.95 -0.59 0.00 0.00 0.00 175.76 177.23 1jb0 s PHE 563 N -0.21 -0.40 0.19 0.00 -0.12 -1.26 -5.06 117.98 111.12 1jb0 s PHE 563 Ca -0.02 0.65 -0.21 0.00 -0.05 0.00 0.00 56.93 57.30 1jb0 s PHE 563 Cb -0.13 0.45 0.12 0.00 -0.63 0.00 0.00 43.02 42.83 1jb0 s PHE 563 CO 0.03 -0.39 1.59 -1.35 -0.05 0.00 0.00 175.22 175.05 1jb0 h PRO 564 N 2.56 -0.16 0.00 1.99 0.11 -1.98 -3.43 132.00 131.09 1jb0 h PRO 564 Ca -0.19 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.93 1jb0 h PRO 564 Cb 1.17 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1jb0 h PRO 564 CO 0.32 -0.10 0.00 0.00 -0.21 0.00 0.00 178.00 178.00 1jb0 n ASP 566 N 0.00 1.03 0.00 0.00 2.03 -1.26 -5.06 116.55 113.28 1jb0 n ASP 566 Ca 0.00 -2.37 0.00 0.00 0.52 0.00 0.00 54.79 52.94 1jb0 n ASP 566 Cb 0.00 -0.33 0.00 0.00 -0.72 0.00 0.00 41.12 40.07 1jb0 n ASP 566 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jb0 n GLY 567 N 0.08 -1.67 0.00 0.27 0.00 -1.26 -4.49 105.19 98.12 1jb0 n GLY 567 Ca 0.08 -1.52 0.12 0.00 0.00 0.00 0.00 46.02 44.69 1jb0 n GLY 567 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jb0 n PRO 568 N -1.93 0.59 -1.49 1.61 -0.04 -1.26 -2.28 135.00 130.20 1jb0 n PRO 568 Ca 0.00 0.03 -0.29 0.00 -0.04 0.00 0.00 63.50 63.20 1jb0 n PRO 568 Cb 0.00 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.10 1jb0 n PRO 568 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1jb0 s GLY 569 N -2.22 1.58 -1.33 0.55 0.00 -1.26 -3.26 107.32 101.38 1jb0 s GLY 569 Ca 0.31 -0.48 -0.03 0.00 0.00 0.00 0.00 44.72 44.52 1jb0 s GLY 569 CO 0.31 0.07 0.21 0.54 0.00 0.00 0.00 173.10 174.23 1jb0 n ARG 570 N -3.79 -2.85 0.00 2.90 1.74 -1.26 -1.68 116.66 111.72 1jb0 n ARG 570 Ca 0.06 0.71 0.00 0.00 -0.77 0.00 0.00 57.85 57.85 1jb0 n ARG 570 Cb 0.59 -5.39 0.00 0.00 -1.02 0.00 0.00 32.46 26.64 1jb0 n ARG 570 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jb0 n GLY 571 N -1.05 3.00 0.00 -0.13 0.00 -1.25 -4.88 105.19 100.88 1jb0 n GLY 571 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1jb0 n GLY 571 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jb0 n GLY 572 N -0.51 4.16 0.23 -0.02 0.00 -0.67 -5.02 105.19 103.35 1jb0 n GLY 572 Ca 0.00 -1.21 0.04 0.00 0.00 0.00 0.00 46.02 44.85 1jb0 n GLY 572 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jb0 n THR 573 N -0.64 0.85 -1.61 2.61 -2.24 -0.96 -4.97 114.28 107.31 1jb0 n THR 573 Ca 0.00 -1.00 -0.42 0.00 -2.27 0.00 0.00 64.05 60.37 1jb0 n THR 573 Cb 0.00 0.26 0.01 0.00 -2.10 0.00 0.00 70.33 68.50 1jb0 n THR 573 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jb0 n ASP 575 N 0.62 -6.30 -0.04 0.00 8.00 -1.26 -4.91 116.55 112.66 1jb0 n ASP 575 Ca 0.09 -0.42 0.11 0.00 0.71 0.00 0.00 54.79 55.28 1jb0 n ASP 575 Cb 0.38 -5.01 0.08 0.00 -0.02 0.00 0.00 41.12 36.55 1jb0 n ASP 575 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jb0 n ILE 576 N -4.79 0.00 -2.89 0.53 3.06 -1.10 -4.74 119.36 109.43 1jb0 n ILE 576 Ca -0.05 -0.02 -0.30 0.00 -2.50 0.00 0.00 62.75 59.88 1jb0 n ILE 576 Cb 0.59 0.64 -0.03 0.00 0.54 0.00 0.00 39.64 41.38 1jb0 n ILE 576 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1jb0 s SER 577 N -2.94 6.49 0.52 9.51 1.04 -1.26 -4.95 113.70 122.11 1jb0 s SER 577 Ca 0.11 1.06 0.22 0.00 0.48 0.00 0.00 55.95 57.82 1jb0 s SER 577 Cb 0.17 -2.29 1.34 0.00 0.10 0.00 0.00 66.02 65.33 1jb0 s SER 577 CO 0.76 -0.39 2.04 0.00 0.98 0.00 0.00 173.24 176.62 1jb0 h ALA 578 N 1.21 2.33 -0.64 5.32 0.00 -1.79 0.20 119.26 125.88 1jb0 h ALA 578 Ca -0.47 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 1jb0 h ALA 578 Cb 1.19 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1jb0 h ALA 578 CO 0.64 -0.44 0.11 2.35 0.00 0.00 0.00 179.25 181.91 1jb0 h TRP 579 N 0.03 1.11 -0.00 0.00 7.01 -1.76 -1.77 115.95 120.57 1jb0 h TRP 579 Ca 0.18 -0.15 -0.04 0.00 2.11 0.00 0.00 58.89 61.00 1jb0 h TRP 579 Cb 0.70 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 27.45 1jb0 h TRP 579 CO -0.00 0.94 -0.19 -0.44 -2.79 0.00 0.00 178.44 175.96 1jb0 h ASP 580 N 0.99 0.00 -0.39 2.65 3.32 -0.89 -1.43 116.42 120.67 1jb0 h ASP 580 Ca 0.20 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.11 1jb0 h ASP 580 Cb 0.42 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1jb0 h ASP 580 CO 0.01 0.19 -0.29 0.00 -1.72 0.00 0.00 179.24 177.43 1jb0 h ALA 581 N 1.81 0.57 -0.62 3.45 0.00 -0.99 -0.81 119.26 122.67 1jb0 h ALA 581 Ca -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1jb0 h ALA 581 Cb 0.34 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1jb0 h ALA 581 CO 0.02 0.60 0.36 0.35 0.00 0.00 0.00 179.25 180.58 1jb0 h PHE 582 N 0.71 0.83 -0.62 0.00 3.57 -1.00 0.17 116.94 120.59 1jb0 h PHE 582 Ca 0.08 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.60 1jb0 h PHE 582 Cb 0.87 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.30 1jb0 h PHE 582 CO 0.06 0.58 0.37 -0.92 -2.23 0.00 0.00 178.31 176.17 1jb0 h TYR 583 N 0.84 0.69 -0.15 0.41 3.20 -0.99 -1.49 116.97 119.47 1jb0 h TYR 583 Ca 0.22 0.02 -0.20 0.00 3.14 0.00 0.00 58.73 61.91 1jb0 h TYR 583 Cb 0.01 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.06 1jb0 h TYR 583 CO -0.01 0.38 -0.72 -0.07 -1.64 0.00 0.00 178.16 176.09 1jb0 h LEU 584 N 0.72 0.80 -1.46 2.82 3.38 -0.78 -3.13 115.31 117.66 1jb0 h LEU 584 Ca 0.26 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 1jb0 h LEU 584 Cb 0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1jb0 h LEU 584 CO -0.12 1.28 -0.00 0.00 0.09 0.00 0.00 178.44 179.69 1jb0 h ALA 585 N 0.71 1.57 -0.88 1.53 0.00 -0.37 -2.63 119.26 119.18 1jb0 h ALA 585 Ca -0.04 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1jb0 h ALA 585 Cb 1.33 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1jb0 h ALA 585 CO 0.14 0.32 0.58 0.52 0.00 0.00 0.00 179.25 180.81 1jb0 h MET 586 N 0.34 1.04 -0.76 0.00 2.86 -1.21 0.22 114.93 117.41 1jb0 h MET 586 Ca 0.08 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1jb0 h MET 586 Cb 0.23 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 1jb0 h MET 586 CO 0.01 0.69 0.35 0.74 1.06 0.00 0.00 176.91 179.75 1jb0 h PHE 587 N 1.07 1.12 -0.21 -0.22 -1.00 -1.57 -1.17 116.94 114.97 1jb0 h PHE 587 Ca 0.36 -0.06 -0.14 0.00 2.81 0.00 0.00 57.97 60.94 1jb0 h PHE 587 Cb 0.08 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 39.28 1jb0 h PHE 587 CO -0.00 0.83 -0.46 -1.49 -1.61 0.00 0.00 178.31 175.58 1jb0 h TRP 588 N 1.08 0.64 -0.26 -0.55 4.06 -1.09 -1.69 115.95 118.15 1jb0 h TRP 588 Ca 0.26 -0.20 -0.03 0.00 2.06 0.00 0.00 58.89 60.98 1jb0 h TRP 588 Cb 0.15 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 28.16 1jb0 h TRP 588 CO 0.01 0.89 0.05 1.98 -3.56 0.00 0.00 178.44 177.82 1jb0 h MET 589 N 0.42 0.42 -0.62 0.49 4.05 -0.30 -0.37 114.93 119.02 1jb0 h MET 589 Ca 0.03 -0.11 0.04 0.00 -0.28 0.00 0.00 59.70 59.38 1jb0 h MET 589 Cb 0.97 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.67 1jb0 h MET 589 CO 0.09 0.53 0.37 -0.07 0.23 0.00 0.00 176.91 178.05 1jb0 h LEU 590 N 0.24 0.58 -0.88 3.39 3.38 -1.12 -0.15 115.31 120.75 1jb0 h LEU 590 Ca 0.08 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1jb0 h LEU 590 Cb 0.30 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1jb0 h LEU 590 CO 0.00 0.39 0.58 -1.13 0.09 0.00 0.00 178.44 178.38 1jb0 h ASN 591 N 0.71 1.01 0.08 -0.43 -1.24 -1.07 -0.94 115.58 113.69 1jb0 h ASN 591 Ca 0.26 -0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.24 1jb0 h ASN 591 Cb 0.08 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 38.88 1jb0 h ASN 591 CO -0.13 0.73 -0.04 0.74 -1.29 0.00 0.00 177.43 177.44 1jb0 h THR 592 N 1.19 1.16 0.00 -3.57 2.02 -0.27 -1.67 112.91 111.77 1jb0 h THR 592 Ca 0.33 -0.89 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 1jb0 h THR 592 Cb -0.13 1.73 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1jb0 h THR 592 CO -0.07 0.22 -0.09 0.40 0.37 0.00 0.00 175.52 176.34 1jb0 h ILE 593 N -0.51 0.62 0.16 3.11 1.08 -1.02 -0.68 117.51 120.27 1jb0 h ILE 593 Ca -0.01 -0.40 -0.01 0.00 -0.39 0.00 0.00 64.86 64.05 1jb0 h ILE 593 Cb 0.43 1.25 0.00 0.00 -3.07 0.00 0.00 36.82 35.44 1jb0 h ILE 593 CO 0.02 0.09 -0.08 1.23 -0.69 0.00 0.00 178.15 178.72 1jb0 h GLY 594 N 0.59 -0.22 0.73 5.37 0.00 -0.91 -0.85 103.07 107.77 1jb0 h GLY 594 Ca -0.00 0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.46 1jb0 h GLY 594 CO 0.01 -0.08 0.42 1.49 0.00 0.00 0.00 176.54 178.39 1jb0 h TRP 595 N -0.57 0.78 -0.08 5.60 6.55 -0.63 0.24 115.95 127.84 1jb0 h TRP 595 Ca -0.02 0.03 -0.12 0.00 0.95 0.00 0.00 58.89 59.73 1jb0 h TRP 595 Cb 0.44 -0.25 -0.01 0.00 -0.86 0.00 0.00 29.16 28.48 1jb0 h TRP 595 CO 0.04 0.40 -0.48 -0.39 -1.05 0.00 0.00 178.44 176.96 1jb0 h VAL 596 N 0.79 1.34 0.07 1.49 -1.51 -1.05 -2.21 116.25 115.16 1jb0 h VAL 596 Ca 0.31 -1.67 -0.27 0.00 -1.23 0.00 0.00 66.70 63.84 1jb0 h VAL 596 Cb 0.15 1.81 -0.02 0.00 -2.13 0.00 0.00 31.29 31.10 1jb0 h VAL 596 CO -0.17 0.49 -1.34 0.71 -1.23 0.00 0.00 177.57 176.04 1jb0 h THR 597 N 0.16 1.35 -0.62 7.19 1.35 -0.48 -1.31 112.91 120.56 1jb0 h THR 597 Ca 0.01 -3.02 -0.00 0.00 -0.55 0.00 0.00 66.41 62.85 1jb0 h THR 597 Cb 0.90 2.79 -0.03 0.00 -1.73 0.00 0.00 68.15 70.08 1jb0 h THR 597 CO 0.07 0.84 0.38 -0.26 -0.25 0.00 0.00 175.52 176.30 1jb0 h PHE 598 N 0.04 0.80 0.09 4.73 -1.00 -0.55 -1.03 116.94 120.03 1jb0 h PHE 598 Ca -0.16 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.62 1jb0 h PHE 598 Cb 1.94 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 41.23 1jb0 h PHE 598 CO 0.04 0.54 -0.04 -0.92 -1.61 0.00 0.00 178.31 176.31 1jb0 h TYR 599 N 0.84 -0.11 -0.93 -0.55 3.20 -1.40 -0.82 116.97 117.20 1jb0 h TYR 599 Ca 0.22 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.11 1jb0 h TYR 599 Cb -0.04 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.21 1jb0 h TYR 599 CO -0.02 0.12 0.61 2.35 -1.64 0.00 0.00 178.16 179.58 1jb0 h TRP 600 N -0.32 1.15 0.23 -3.82 7.01 -1.05 -2.25 115.95 116.90 1jb0 h TRP 600 Ca -0.01 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 1jb0 h TRP 600 Cb 0.27 -0.39 0.00 0.00 -2.10 0.00 0.00 29.16 26.95 1jb0 h TRP 600 CO -0.01 0.70 -0.11 1.25 -2.79 0.00 0.00 178.44 177.48 1jb0 h HIS 601 N 1.22 -0.29 -0.64 2.65 2.76 -1.10 -2.38 115.15 117.37 1jb0 h HIS 601 Ca 0.36 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.59 1jb0 h HIS 601 Cb -0.06 0.09 -0.06 0.00 1.55 0.00 0.00 27.41 28.93 1jb0 h HIS 601 CO -0.00 0.10 0.33 2.35 -1.30 0.00 0.00 177.93 179.41 1jb0 h TRP 602 N -0.85 0.60 -0.06 5.26 7.01 -1.13 0.10 115.95 126.89 1jb0 h TRP 602 Ca -0.03 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.00 1jb0 h TRP 602 Cb 0.51 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.39 1jb0 h TRP 602 CO 0.06 0.27 0.01 -0.22 -2.79 0.00 0.00 178.44 175.76 1jb0 h LYS 603 N 0.61 0.04 0.00 2.65 3.64 -1.46 -1.70 116.57 120.34 1jb0 h LYS 603 Ca 0.30 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.64 1jb0 h LYS 603 Cb 0.23 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1jb0 h LYS 603 CO -0.21 0.02 -0.17 0.45 -2.27 0.00 0.00 179.45 177.27 1jb0 h HIS 604 N 0.04 0.00 -0.47 1.91 3.86 -0.92 -1.93 115.15 117.63 1jb0 h HIS 604 Ca 0.03 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.24 1jb0 h HIS 604 Cb 0.02 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.47 1jb0 h HIS 604 CO -0.10 0.17 0.31 1.25 0.86 0.00 0.00 177.93 180.42 1jb0 h LEU 605 N 0.00 0.53 -0.23 2.43 5.85 0.11 0.16 115.31 124.16 1jb0 h LEU 605 Ca -0.00 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 1jb0 h LEU 605 Cb 0.34 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1jb0 h LEU 605 CO 0.02 0.39 -0.11 1.23 -0.34 0.00 0.00 178.44 179.63 1jb0 h GLY 606 N 0.63 0.52 0.99 3.75 0.00 -1.07 -2.42 103.07 105.48 1jb0 h GLY 606 Ca 0.17 -0.47 0.04 0.00 0.00 0.00 0.00 47.33 47.07 1jb0 h GLY 606 CO -0.04 0.42 0.58 -2.08 0.00 0.00 0.00 176.54 175.43 1jb0 h VAL 607 N 0.20 1.14 0.00 4.60 2.07 -1.04 0.16 116.25 123.37 1jb0 h VAL 607 Ca 0.05 -0.38 -0.16 0.00 0.82 0.00 0.00 66.70 67.04 1jb0 h VAL 607 Cb 0.60 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1jb0 h VAL 607 CO 0.03 0.20 -0.75 -0.50 0.02 0.00 0.00 177.57 176.57 1jb0 h TRP 608 N 1.10 0.00 -0.01 1.57 6.55 -0.64 -2.99 115.95 121.53 1jb0 h TRP 608 Ca 0.36 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.20 1jb0 h TRP 608 Cb 0.04 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.34 1jb0 h TRP 608 CO -0.00 0.75 -0.04 0.39 -1.05 0.00 0.00 178.44 178.49 1jb0 n GLU 609 N -3.54 1.27 -1.32 0.49 1.02 -0.92 -4.90 120.64 112.75 1jb0 n GLU 609 Ca -0.00 -0.57 -0.10 0.00 -0.02 0.00 0.00 57.16 56.47 1jb0 n GLU 609 Cb 0.76 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.65 1jb0 n GLU 609 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jb0 n GLY 610 N 1.16 1.09 2.43 0.62 0.00 -0.60 -4.96 105.19 104.94 1jb0 n GLY 610 Ca 0.19 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 1jb0 n GLY 610 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jb0 n ASN 611 N 0.41 2.92 0.29 1.61 4.05 0.46 -4.91 115.26 120.09 1jb0 n ASN 611 Ca -0.10 -3.29 0.19 0.00 0.45 0.00 0.00 54.58 51.83 1jb0 n ASN 611 Cb 0.33 -0.65 0.94 0.00 1.23 0.00 0.00 39.78 41.64 1jb0 n ASN 611 CO 0.00 0.00 0.00 -0.37 -3.05 0.00 0.00 177.26 173.84 1jb0 h VAL 612 N 2.77 0.00 -0.59 3.44 -1.51 -1.92 -2.95 116.25 115.49 1jb0 h VAL 612 Ca 0.16 -0.21 0.06 0.00 -1.23 0.00 0.00 66.70 65.48 1jb0 h VAL 612 Cb 0.70 1.16 -0.03 0.00 -2.13 0.00 0.00 31.29 30.99 1jb0 h VAL 612 CO 0.73 0.00 0.39 0.00 -1.23 0.00 0.00 177.57 177.47 1jb0 h ALA 613 N 2.01 1.83 0.16 5.19 0.00 -1.92 -1.52 119.26 125.01 1jb0 h ALA 613 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jb0 h ALA 613 Cb 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1jb0 h ALA 613 CO 0.00 0.07 -0.13 0.37 0.00 0.00 0.00 179.25 179.57 1jb0 h GLN 614 N 0.56 -0.28 0.18 0.00 4.15 -1.93 0.25 115.11 118.04 1jb0 h GLN 614 Ca 0.25 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.69 1jb0 h GLN 614 Cb 0.29 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.04 1jb0 h GLN 614 CO -0.07 -0.19 -0.09 0.35 -1.93 0.00 0.00 178.83 176.90 1jb0 h PHE 615 N -0.29 -0.22 -0.97 3.99 3.57 -1.69 0.11 116.94 121.43 1jb0 h PHE 615 Ca -0.00 -0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.69 1jb0 h PHE 615 Cb 0.27 0.07 -0.11 0.00 2.79 0.00 0.00 35.95 38.97 1jb0 h PHE 615 CO -0.11 0.02 0.56 -0.91 -2.23 0.00 0.00 178.31 175.64 1jb0 h ASN 616 N -0.44 0.67 0.26 0.41 -0.26 -1.11 -0.00 115.58 115.11 1jb0 h ASN 616 Ca -0.02 0.11 -0.33 0.00 -0.56 0.00 0.00 56.30 55.50 1jb0 h ASN 616 Cb 0.34 0.01 -0.05 0.00 -1.06 0.00 0.00 38.32 37.55 1jb0 h ASN 616 CO 0.04 0.19 -2.00 -0.62 -1.06 0.00 0.00 177.43 173.98 1jb0 n GLU 617 N -4.85 0.67 0.11 0.81 1.02 0.86 -4.49 120.64 114.77 1jb0 n GLU 617 Ca 0.23 0.20 0.03 0.00 -0.02 0.00 0.00 57.16 57.60 1jb0 n GLU 617 Cb 0.61 -1.68 -0.01 0.00 -0.02 0.00 0.00 31.44 30.35 1jb0 n GLU 617 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1jb0 h SER 618 N 0.01 0.00 0.42 1.62 0.02 -0.55 -3.38 113.55 111.70 1jb0 h SER 618 Ca -0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1jb0 h SER 618 Cb 2.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.61 1jb0 h SER 618 CO 0.05 0.46 0.00 -1.54 -1.14 0.00 0.00 176.83 174.66 1jb0 n SER 619 N -3.06 0.00 -0.12 3.07 3.41 -0.03 -3.62 113.62 113.26 1jb0 n SER 619 Ca -0.02 0.06 0.13 0.00 -0.26 0.00 0.00 58.87 58.78 1jb0 n SER 619 Cb 0.74 -0.31 0.38 0.00 -0.26 0.00 0.00 64.21 64.76 1jb0 n SER 619 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1jb0 n THR 620 N -1.31 0.00 -4.17 6.66 -2.24 -1.26 -4.82 114.28 107.14 1jb0 n THR 620 Ca 0.09 -0.06 -0.17 0.00 -2.27 0.00 0.00 64.05 61.63 1jb0 n THR 620 Cb 0.17 0.21 -0.12 0.00 -2.10 0.00 0.00 70.33 68.50 1jb0 n THR 620 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1jb0 s TYR 621 N -2.70 1.08 0.30 4.78 -0.85 -1.24 -4.67 117.35 114.04 1jb0 s TYR 621 Ca 0.20 -0.45 0.14 0.00 -0.52 0.00 0.00 57.07 56.44 1jb0 s TYR 621 Cb 0.19 -0.62 0.61 0.00 0.38 0.00 0.00 41.96 42.52 1jb0 s TYR 621 CO 0.58 0.02 1.74 -0.07 -1.52 0.00 0.00 175.55 176.30 1jb0 h LEU 622 N 4.45 0.00 -2.63 -3.49 3.38 -1.87 -2.46 115.31 112.69 1jb0 h LEU 622 Ca -0.39 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.58 1jb0 h LEU 622 Cb 1.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 1jb0 h LEU 622 CO 0.41 0.45 -0.01 -0.03 0.09 0.00 0.00 178.44 179.35 1jb0 h MET 623 N 0.00 0.00 -0.21 1.13 4.05 -1.95 -1.01 114.93 116.94 1jb0 h MET 623 Ca -0.00 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.25 1jb0 h MET 623 Cb 0.85 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.65 1jb0 h MET 623 CO 0.06 0.01 -0.55 0.78 0.23 0.00 0.00 176.91 177.44 1jb0 h GLY 624 N 0.19 0.70 0.80 1.39 0.00 -1.58 -0.15 103.07 104.41 1jb0 h GLY 624 Ca -0.00 -0.81 -0.09 0.00 0.00 0.00 0.00 47.33 46.43 1jb0 h GLY 624 CO 0.00 0.73 -0.24 1.49 0.00 0.00 0.00 176.54 178.52 1jb0 h TRP 625 N 0.49 0.55 -0.36 5.60 4.06 -1.31 0.14 115.95 125.11 1jb0 h TRP 625 Ca 0.01 -0.18 -0.01 0.00 2.06 0.00 0.00 58.89 60.77 1jb0 h TRP 625 Cb 1.11 -0.11 -0.02 0.00 -1.00 0.00 0.00 29.16 29.14 1jb0 h TRP 625 CO 0.05 0.87 0.19 1.25 -3.56 0.00 0.00 178.44 177.23 1jb0 h LEU 626 N 0.08 0.47 0.04 -4.49 5.85 -1.33 -2.12 115.31 113.80 1jb0 h LEU 626 Ca 0.02 -0.11 -0.15 0.00 0.84 0.00 0.00 57.88 58.47 1jb0 h LEU 626 Cb 0.81 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1jb0 h LEU 626 CO 0.06 0.44 -0.79 -0.09 -0.34 0.00 0.00 178.44 177.71 1jb0 h ARG 627 N 0.45 0.09 -0.01 1.25 2.43 -1.06 -1.14 114.38 116.39 1jb0 h ARG 627 Ca 0.13 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1jb0 h ARG 627 Cb 0.09 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1jb0 h ARG 627 CO -0.02 1.07 -0.36 -0.25 -1.51 0.00 0.00 179.97 178.90 1jb0 n ASP 628 N -4.34 1.11 -0.01 -3.80 8.00 0.48 -1.86 116.55 116.14 1jb0 n ASP 628 Ca -0.21 -0.90 -0.03 0.00 0.71 0.00 0.00 54.79 54.36 1jb0 n ASP 628 Cb 0.68 0.25 -0.01 0.00 -0.02 0.00 0.00 41.12 42.01 1jb0 n ASP 628 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jb0 n TYR 629 N -0.71 0.00 -0.00 1.24 9.36 -1.02 -4.66 117.16 121.36 1jb0 n TYR 629 Ca 0.10 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.26 1jb0 n TYR 629 Cb 0.36 -0.19 -0.05 0.00 -0.63 0.00 0.00 39.34 38.83 1jb0 n TYR 629 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1jb0 h LEU 630 N -0.38 -0.10 -0.22 2.98 3.38 -1.41 -2.91 115.31 116.65 1jb0 h LEU 630 Ca 0.00 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1jb0 h LEU 630 Cb 0.38 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1jb0 h LEU 630 CO 0.00 0.50 0.10 -0.25 0.09 0.00 0.00 178.44 178.89 1jb0 h TRP 631 N -0.99 0.31 0.17 1.13 7.01 -1.30 -2.54 115.95 119.73 1jb0 h TRP 631 Ca -0.01 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 60.97 1jb0 h TRP 631 Cb 0.37 -0.10 -0.00 0.00 -2.10 0.00 0.00 29.16 27.33 1jb0 h TRP 631 CO 0.07 0.31 -0.09 1.25 -2.79 0.00 0.00 178.44 177.20 1jb0 h LEU 632 N 0.22 -0.22 0.00 0.65 6.46 -1.54 -3.06 115.31 117.81 1jb0 h LEU 632 Ca 0.07 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.85 1jb0 h LEU 632 Cb 0.12 0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.11 1jb0 h LEU 632 CO -0.01 -0.15 0.00 0.59 -0.62 0.00 0.00 178.44 178.25 1jb0 n ASN 633 N -5.20 0.00 -1.01 1.25 3.02 -1.10 -3.21 115.26 109.00 1jb0 n ASN 633 Ca -0.08 -0.91 0.11 0.00 -0.03 0.00 0.00 54.58 53.67 1jb0 n ASN 633 Cb 0.13 0.00 0.25 0.00 -0.61 0.00 0.00 39.78 39.55 1jb0 n ASN 633 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1jb0 n SER 634 N -0.97 3.03 0.22 6.41 3.41 -0.96 -4.59 113.62 120.17 1jb0 n SER 634 Ca 0.19 -1.93 -0.16 0.00 -0.26 0.00 0.00 58.87 56.71 1jb0 n SER 634 Cb 0.09 -0.22 -0.08 0.00 -0.26 0.00 0.00 64.21 63.74 1jb0 n SER 634 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1jb0 h SER 635 N 3.94 -1.14 -0.03 4.04 0.87 -1.69 -1.48 113.55 118.05 1jb0 h SER 635 Ca 0.00 0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 1jb0 h SER 635 Cb 0.87 0.40 -0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1jb0 h SER 635 CO 0.00 -0.54 -0.03 1.56 -0.53 0.00 0.00 176.83 177.29 1jb0 h GLN 636 N -0.79 0.07 -0.75 2.24 1.08 -1.87 -3.23 115.11 111.86 1jb0 h GLN 636 Ca -0.02 -0.04 0.15 0.00 -1.45 0.00 0.00 58.65 57.29 1jb0 h GLN 636 Cb 0.73 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 28.02 1jb0 h GLN 636 CO -0.11 0.52 -0.22 1.25 -0.95 0.00 0.00 178.83 179.32 1jb0 h LEU 637 N -0.37 -0.82 -1.29 1.46 5.85 -1.83 0.28 115.31 118.59 1jb0 h LEU 637 Ca 0.01 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.96 1jb0 h LEU 637 Cb 0.50 0.50 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1jb0 h LEU 637 CO 0.01 -0.26 0.00 0.40 -0.34 0.00 0.00 178.44 178.24 1jb0 h ILE 638 N -0.03 0.00 -0.39 4.05 5.03 -1.33 -1.30 117.51 123.55 1jb0 h ILE 638 Ca 0.34 -0.15 0.00 0.00 -0.12 0.00 0.00 64.86 64.94 1jb0 h ILE 638 Cb 0.56 0.84 0.00 0.00 -3.03 0.00 0.00 36.82 35.18 1jb0 h ILE 638 CO -0.78 0.00 0.00 0.59 -0.68 0.00 0.00 178.15 177.28 1jb0 n ASN 639 N -2.42 4.45 -0.23 1.72 4.13 0.97 -4.50 115.26 119.38 1jb0 n ASN 639 Ca 0.00 -2.89 0.26 0.00 1.68 0.00 0.00 54.58 53.62 1jb0 n ASN 639 Cb 0.15 -0.57 0.63 0.00 -1.54 0.00 0.00 39.78 38.45 1jb0 n ASN 639 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1jb0 h GLY 640 N 2.64 0.43 -4.36 7.41 0.00 -0.95 -3.40 103.07 104.83 1jb0 h GLY 640 Ca 0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 47.33 47.13 1jb0 h GLY 640 CO 0.29 -0.02 -0.30 -2.52 0.00 0.00 0.00 176.54 173.99 1jb0 s TYR 641 N -5.18 -0.13 0.15 5.60 -0.85 -1.26 -0.77 117.35 114.91 1jb0 s TYR 641 Ca -0.06 0.13 -0.08 0.00 -0.52 0.00 0.00 57.07 56.54 1jb0 s TYR 641 Cb 0.23 0.07 0.03 0.00 0.38 0.00 0.00 41.96 42.67 1jb0 s TYR 641 CO 0.78 -0.41 0.42 0.27 -1.52 0.00 0.00 175.55 175.10 1jb0 n ASN 642 N 1.11 -0.99 0.00 -0.18 0.23 -0.12 -4.99 115.26 110.33 1jb0 n ASN 642 Ca -0.21 -1.62 0.02 0.00 -0.53 0.00 0.00 54.58 52.24 1jb0 n ASN 642 Cb 0.57 1.63 0.10 0.00 -2.08 0.00 0.00 39.78 39.99 1jb0 n ASN 642 CO 0.00 0.00 0.00 -2.65 -0.93 0.00 0.00 177.26 173.68 1jb0 n PRO 643 N -0.29 0.03 -0.00 -0.53 -0.02 -1.26 -2.34 135.00 130.59 1jb0 n PRO 643 Ca -0.03 0.33 0.06 0.00 -2.02 0.00 0.00 63.50 61.84 1jb0 n PRO 643 Cb 0.28 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.18 1jb0 n PRO 643 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1jb0 n PHE 644 N -1.38 0.00 -3.82 6.00 3.01 -1.26 -5.10 117.46 114.91 1jb0 n PHE 644 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1jb0 n PHE 644 Cb 0.04 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.43 1jb0 n PHE 644 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jb0 n GLY 645 N 1.42 -1.03 3.10 1.37 0.00 -0.99 -5.14 105.19 103.91 1jb0 n GLY 645 Ca 0.01 -1.10 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 1jb0 n GLY 645 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jb0 s THR 646 N -3.00 0.02 0.26 2.61 -4.23 -1.26 -0.95 115.64 109.09 1jb0 s THR 646 Ca 0.00 -0.13 0.01 0.00 -1.18 0.00 0.00 61.69 60.39 1jb0 s THR 646 Cb 0.00 -0.33 -0.00 0.00 1.34 0.00 0.00 72.50 73.51 1jb0 s THR 646 CO 0.00 -0.07 0.03 -0.46 -0.54 0.00 0.00 174.62 173.58 1jb0 n ASN 647 N 2.65 2.06 0.00 3.99 6.94 0.05 -4.80 115.26 126.15 1jb0 n ASN 647 Ca -0.15 -2.22 0.00 0.00 -0.02 0.00 0.00 54.58 52.19 1jb0 n ASN 647 Cb 0.58 0.36 0.03 0.00 -2.36 0.00 0.00 39.78 38.39 1jb0 n ASN 647 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1jb0 n ASN 648 N -1.42 0.00 -0.42 0.53 2.04 -1.26 -0.84 115.26 113.88 1jb0 n ASN 648 Ca -0.08 -0.59 0.04 0.00 -0.44 0.00 0.00 54.58 53.51 1jb0 n ASN 648 Cb 0.35 0.00 0.09 0.00 -2.53 0.00 0.00 39.78 37.69 1jb0 n ASN 648 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1jb0 n LEU 649 N -0.55 2.47 -0.01 -4.53 4.77 -1.26 -4.56 117.00 113.32 1jb0 n LEU 649 Ca 0.01 -1.82 0.01 0.00 -0.03 0.00 0.00 56.01 54.18 1jb0 n LEU 649 Cb 0.00 -0.13 0.33 0.00 -2.33 0.00 0.00 43.42 41.29 1jb0 n LEU 649 CO 0.01 0.60 1.03 0.77 -1.33 0.00 0.00 177.39 178.46 1jb0 h SER 650 N 1.43 0.51 0.63 -1.43 4.64 -1.00 -1.36 113.55 116.96 1jb0 h SER 650 Ca 0.00 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.23 1jb0 h SER 650 Cb 0.60 -0.13 0.01 0.00 -0.31 0.00 0.00 62.40 62.57 1jb0 h SER 650 CO 0.00 0.50 -0.30 0.58 -0.87 0.00 0.00 176.83 176.74 1jb0 h VAL 651 N 0.55 0.36 -0.25 0.95 2.07 -1.82 -1.02 116.25 117.10 1jb0 h VAL 651 Ca 0.13 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.59 1jb0 h VAL 651 Cb 0.18 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1jb0 h VAL 651 CO -0.01 0.01 0.17 -0.50 0.02 0.00 0.00 177.57 177.27 1jb0 h TRP 652 N -0.91 0.16 -0.14 1.57 4.06 -1.85 0.51 115.95 119.35 1jb0 h TRP 652 Ca -0.09 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.66 1jb0 h TRP 652 Cb 0.67 -0.05 0.01 0.00 -1.00 0.00 0.00 29.16 28.78 1jb0 h TRP 652 CO -0.02 0.09 -0.76 0.00 -3.56 0.00 0.00 178.44 174.19 1jb0 h ALA 653 N 1.86 0.39 -0.19 1.49 0.00 -0.96 0.12 119.26 121.97 1jb0 h ALA 653 Ca 0.11 -0.60 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 1jb0 h ALA 653 Cb 0.23 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1jb0 h ALA 653 CO -0.02 0.70 -0.19 2.35 0.00 0.00 0.00 179.25 182.10 1jb0 h TRP 654 N 0.48 0.56 -0.80 0.00 7.01 0.15 -2.35 115.95 120.99 1jb0 h TRP 654 Ca -0.05 -0.17 0.02 0.00 2.11 0.00 0.00 58.89 60.80 1jb0 h TRP 654 Cb 1.38 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 28.28 1jb0 h TRP 654 CO 0.08 0.83 0.53 1.98 -2.79 0.00 0.00 178.44 179.06 1jb0 h MET 655 N 0.14 1.02 -0.52 2.65 4.05 0.02 0.12 114.93 122.41 1jb0 h MET 655 Ca 0.03 -0.06 0.01 0.00 -0.28 0.00 0.00 59.70 59.40 1jb0 h MET 655 Cb 0.73 -0.23 -0.03 0.00 -0.80 0.00 0.00 31.60 31.27 1jb0 h MET 655 CO 0.05 0.68 0.34 0.35 0.23 0.00 0.00 176.91 178.56 1jb0 h PHE 656 N 1.05 0.65 -0.26 1.39 3.57 -0.55 0.23 116.94 123.03 1jb0 h PHE 656 Ca 0.30 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.67 1jb0 h PHE 656 Cb -0.06 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 1jb0 h PHE 656 CO -0.00 0.41 -0.47 -0.07 -2.23 0.00 0.00 178.31 175.95 1jb0 h LEU 657 N 0.70 0.73 -0.57 0.59 3.38 -0.78 -2.88 115.31 116.48 1jb0 h LEU 657 Ca 0.19 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.84 1jb0 h LEU 657 Cb -0.07 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.43 1jb0 h LEU 657 CO -0.05 1.08 0.33 0.15 0.09 0.00 0.00 178.44 180.05 1jb0 h PHE 658 N 0.54 0.62 -0.59 1.13 3.57 0.02 -1.34 116.94 120.88 1jb0 h PHE 658 Ca 0.03 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1jb0 h PHE 658 Cb 1.02 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 1jb0 h PHE 658 CO 0.05 0.34 0.32 0.78 -2.23 0.00 0.00 178.31 177.56 1jb0 h GLY 659 N 0.65 0.89 1.01 2.40 0.00 -0.49 -1.14 103.07 106.40 1jb0 h GLY 659 Ca 0.24 -0.41 0.02 0.00 0.00 0.00 0.00 47.33 47.17 1jb0 h GLY 659 CO -0.12 0.40 0.65 0.45 0.00 0.00 0.00 176.54 177.91 1jb0 h HIS 660 N 0.81 1.22 -0.26 5.60 3.86 -1.19 -1.32 115.15 123.86 1jb0 h HIS 660 Ca 0.21 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.35 1jb0 h HIS 660 Cb 0.06 -0.41 -0.00 0.00 1.06 0.00 0.00 27.41 28.11 1jb0 h HIS 660 CO -0.01 0.75 -0.22 1.25 0.86 0.00 0.00 177.93 180.56 1jb0 h LEU 661 N 1.30 0.64 -0.86 2.43 5.85 -0.69 -2.12 115.31 121.87 1jb0 h LEU 661 Ca 0.36 -0.46 -0.10 0.00 0.84 0.00 0.00 57.88 58.53 1jb0 h LEU 661 Cb -0.12 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 1jb0 h LEU 661 CO -0.09 0.96 -0.20 0.58 -0.34 0.00 0.00 178.44 179.35 1jb0 h VAL 662 N 0.32 1.26 0.16 1.05 2.07 -1.03 -0.70 116.25 119.38 1jb0 h VAL 662 Ca 0.04 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 1jb0 h VAL 662 Cb 0.77 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1jb0 h VAL 662 CO 0.06 0.41 -0.07 -0.25 0.02 0.00 0.00 177.57 177.73 1jb0 h TRP 663 N 0.56 -0.19 0.00 1.57 7.01 -1.21 -2.28 115.95 121.40 1jb0 h TRP 663 Ca 0.09 -0.00 -0.07 0.00 2.11 0.00 0.00 58.89 61.01 1jb0 h TRP 663 Cb 0.65 0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.77 1jb0 h TRP 663 CO 0.03 0.01 -0.34 0.00 -2.79 0.00 0.00 178.44 175.35 1jb0 h ALA 664 N 0.45 1.34 0.00 2.65 0.00 -1.24 -1.72 119.26 120.73 1jb0 h ALA 664 Ca -0.02 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1jb0 h ALA 664 Cb 0.29 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1jb0 h ALA 664 CO 0.04 0.43 -0.33 1.15 0.00 0.00 0.00 179.25 180.53 1jb0 h THR 665 N 0.00 1.23 -0.01 0.00 2.02 -0.91 -2.02 112.91 113.23 1jb0 h THR 665 Ca -0.00 -1.14 -0.07 0.00 0.77 0.00 0.00 66.41 65.96 1jb0 h THR 665 Cb 0.64 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.66 1jb0 h THR 665 CO 0.04 0.32 -0.35 1.23 0.37 0.00 0.00 175.52 177.14 1jb0 h GLY 666 N 1.00 0.02 2.00 2.16 0.00 -0.72 -2.36 103.07 105.17 1jb0 h GLY 666 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 1jb0 h GLY 666 CO 0.04 0.01 -0.02 0.74 0.00 0.00 0.00 176.54 177.32 1jb0 h PHE 667 N 0.01 0.00 -0.11 5.60 -1.00 -1.30 -2.07 116.94 118.07 1jb0 h PHE 667 Ca -0.00 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.77 1jb0 h PHE 667 Cb 0.63 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.18 1jb0 h PHE 667 CO 0.00 0.02 0.05 1.98 -1.61 0.00 0.00 178.31 178.75 1jb0 h MET 668 N 0.00 0.16 -0.05 1.51 4.05 -1.48 -0.97 114.93 118.15 1jb0 h MET 668 Ca -0.00 -0.02 -0.11 0.00 -0.28 0.00 0.00 59.70 59.28 1jb0 h MET 668 Cb 0.04 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 1jb0 h MET 668 CO 0.00 0.24 -0.49 0.74 0.23 0.00 0.00 176.91 177.63 1jb0 h PHE 669 N 0.04 0.14 0.00 1.39 -1.00 -1.55 -2.05 116.94 113.90 1jb0 h PHE 669 Ca 0.04 -0.04 -0.18 0.00 2.81 0.00 0.00 57.97 60.59 1jb0 h PHE 669 Cb 0.14 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 39.64 1jb0 h PHE 669 CO -0.03 0.58 -0.87 -0.07 -1.61 0.00 0.00 178.31 176.32 1jb0 h LEU 670 N 0.09 0.00 0.01 1.54 3.38 -1.28 -3.39 115.31 115.67 1jb0 h LEU 670 Ca 0.00 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.57 1jb0 h LEU 670 Cb 0.90 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.59 1jb0 h LEU 670 CO 0.07 0.87 -2.33 -0.38 0.09 0.00 0.00 178.44 176.76 1jb0 n ILE 671 N -3.41 1.54 -3.33 1.22 5.41 -0.38 -4.91 119.36 115.50 1jb0 n ILE 671 Ca 0.00 -0.45 -0.38 0.00 1.00 0.00 0.00 62.75 62.92 1jb0 n ILE 671 Cb 0.85 -1.71 -0.06 0.00 -0.71 0.00 0.00 39.64 38.01 1jb0 n ILE 671 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1jb0 s SER 672 N -7.02 6.84 0.42 4.38 1.04 -0.77 -5.07 113.70 113.52 1jb0 s SER 672 Ca -0.35 1.00 0.08 0.00 0.48 0.00 0.00 55.95 57.16 1jb0 s SER 672 Cb 0.11 -2.31 -0.02 0.00 0.10 0.00 0.00 66.02 63.90 1jb0 s SER 672 CO 0.57 0.15 0.37 0.26 0.98 0.00 0.00 173.24 175.57 1jb0 s TRP 673 N -0.28 2.63 0.20 5.02 0.52 -1.26 -4.62 118.94 121.15 1jb0 s TRP 673 Ca 0.27 -0.52 -0.22 0.00 0.02 0.00 0.00 56.10 55.65 1jb0 s TRP 673 Cb -0.17 -2.14 0.13 0.00 -1.15 0.00 0.00 33.47 30.13 1jb0 s TRP 673 CO 0.14 -0.13 1.56 -0.09 0.02 0.00 0.00 176.95 178.45 1jb0 h ARG 674 N 1.03 -0.06 -0.80 4.98 2.43 -1.92 -3.01 114.38 117.04 1jb0 h ARG 674 Ca -0.41 0.00 0.19 0.00 -0.81 0.00 0.00 59.98 58.95 1jb0 h ARG 674 Cb 1.27 0.01 -0.14 0.00 -0.42 0.00 0.00 29.97 30.70 1jb0 h ARG 674 CO 0.58 -0.04 0.05 0.78 -1.51 0.00 0.00 179.97 179.83 1jb0 h GLY 675 N -0.07 0.97 0.26 2.80 0.00 -1.97 -0.87 103.07 104.19 1jb0 h GLY 675 Ca 0.26 0.08 0.10 0.00 0.00 0.00 0.00 47.33 47.78 1jb0 h GLY 675 CO -0.88 -0.31 0.11 -1.82 0.00 0.00 0.00 176.54 173.63 1jb0 h TYR 676 N 0.12 0.17 -0.14 5.60 3.20 -1.95 -2.58 116.97 121.38 1jb0 h TYR 676 Ca 0.45 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 62.26 1jb0 h TYR 676 Cb 0.83 0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.11 1jb0 h TYR 676 CO -0.40 -0.03 -0.29 -1.49 -1.64 0.00 0.00 178.16 174.31 1jb0 h TRP 677 N 0.24 0.57 -0.98 -3.82 4.06 -1.34 -2.87 115.95 111.81 1jb0 h TRP 677 Ca 0.28 -0.21 0.07 0.00 2.06 0.00 0.00 58.89 61.10 1jb0 h TRP 677 Cb 0.40 -0.10 -0.07 0.00 -1.00 0.00 0.00 29.16 28.39 1jb0 h TRP 677 CO -0.24 0.92 0.63 0.37 -3.56 0.00 0.00 178.44 176.55 1jb0 h GLN 678 N 0.06 1.08 -0.13 0.49 5.75 -1.18 0.12 115.11 121.31 1jb0 h GLN 678 Ca 0.00 -0.06 -0.15 0.00 -0.15 0.00 0.00 58.65 58.29 1jb0 h GLN 678 Cb 0.89 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 29.18 1jb0 h GLN 678 CO 0.06 0.71 -0.58 0.93 -2.65 0.00 0.00 178.83 177.31 1jb0 h GLU 679 N 1.11 0.40 -0.39 1.69 5.08 -1.48 -2.34 114.58 118.65 1jb0 h GLU 679 Ca 0.43 -0.26 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 1jb0 h GLU 679 Cb 0.23 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1jb0 h GLU 679 CO -0.18 0.86 0.01 1.25 -1.00 0.00 0.00 179.01 179.95 1jb0 h LEU 680 N 0.30 0.67 -1.21 1.33 5.85 -1.06 -2.77 115.31 118.42 1jb0 h LEU 680 Ca -0.00 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.48 1jb0 h LEU 680 Cb 1.10 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.90 1jb0 h LEU 680 CO 0.10 0.81 0.56 0.40 -0.34 0.00 0.00 178.44 179.96 1jb0 h ILE 681 N 0.51 1.07 -0.76 4.05 2.04 -0.70 -1.31 117.51 122.40 1jb0 h ILE 681 Ca 0.11 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.65 1jb0 h ILE 681 Cb 0.46 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 1jb0 h ILE 681 CO 0.02 0.18 0.51 -0.33 0.00 0.00 0.00 178.15 178.52 1jb0 h GLU 682 N 0.96 0.99 0.00 2.37 5.08 -1.13 0.59 114.58 123.44 1jb0 h GLU 682 Ca 0.36 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.59 1jb0 h GLU 682 Cb 0.19 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1jb0 h GLU 682 CO -0.13 0.66 -0.34 1.79 -1.00 0.00 0.00 179.01 179.99 1jb0 h THR 683 N 1.02 1.04 -0.06 1.13 1.35 -1.15 -1.57 112.91 114.68 1jb0 h THR 683 Ca 0.28 -1.25 -0.20 0.00 -0.55 0.00 0.00 66.41 64.69 1jb0 h THR 683 Cb -0.10 1.72 -0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1jb0 h THR 683 CO -0.06 0.33 -0.79 -0.07 -0.25 0.00 0.00 175.52 174.68 1jb0 h LEU 684 N 0.00 0.51 -0.42 3.87 3.38 -0.62 -1.97 115.31 120.06 1jb0 h LEU 684 Ca -0.00 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 1jb0 h LEU 684 Cb 0.69 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1jb0 h LEU 684 CO 0.04 1.12 0.14 0.58 0.09 0.00 0.00 178.44 180.41 1jb0 h VAL 685 N 0.27 1.21 -0.05 1.22 2.07 -0.62 -1.06 116.25 119.30 1jb0 h VAL 685 Ca -0.04 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.80 1jb0 h VAL 685 Cb 1.39 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 1jb0 h VAL 685 CO 0.14 0.25 -0.08 -0.25 0.02 0.00 0.00 177.57 177.64 1jb0 h TRP 686 N 0.53 -0.20 -0.66 1.57 7.01 -1.21 -1.92 115.95 121.07 1jb0 h TRP 686 Ca 0.14 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.15 1jb0 h TRP 686 Cb 0.24 0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.37 1jb0 h TRP 686 CO 0.01 -0.13 0.43 0.00 -2.79 0.00 0.00 178.44 175.96 1jb0 h ALA 687 N 0.91 0.84 0.28 2.65 0.00 -1.15 -1.82 119.26 120.97 1jb0 h ALA 687 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1jb0 h ALA 687 Cb 0.19 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1jb0 h ALA 687 CO -0.12 0.28 -0.14 1.25 0.00 0.00 0.00 179.25 180.52 1jb0 h HIS 688 N 0.90 -0.35 0.00 0.00 -0.00 -1.02 -2.06 115.15 112.62 1jb0 h HIS 688 Ca 0.24 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.60 1jb0 h HIS 688 Cb -0.09 0.12 -0.00 0.00 -0.00 0.00 0.00 27.41 27.44 1jb0 h HIS 688 CO -0.02 -0.19 -0.01 0.93 -0.00 0.00 0.00 177.93 178.64 1jb0 h GLU 689 N -0.42 0.00 -0.60 5.26 5.08 -1.15 -2.09 114.58 120.65 1jb0 h GLU 689 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1jb0 h GLU 689 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1jb0 h GLU 689 CO 0.06 0.01 0.00 0.54 -1.00 0.00 0.00 179.01 178.62 1jb0 n ARG 690 N -3.30 2.86 -3.72 2.33 5.12 -0.70 -4.88 116.66 114.36 1jb0 n ARG 690 Ca -0.03 -2.49 -0.38 0.00 -1.93 0.00 0.00 57.85 53.02 1jb0 n ARG 690 Cb 0.10 -1.50 -0.12 0.00 -1.16 0.00 0.00 32.46 29.77 1jb0 n ARG 690 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1jb0 s THR 691 N -1.09 4.13 0.76 0.55 2.01 -0.79 -5.04 115.64 116.17 1jb0 s THR 691 Ca 0.41 -0.70 -0.15 0.00 0.31 0.00 0.00 61.69 61.56 1jb0 s THR 691 Cb 0.22 -3.17 0.05 0.00 0.01 0.00 0.00 72.50 69.61 1jb0 s THR 691 CO 0.27 0.02 1.17 -2.65 -0.69 0.00 0.00 174.62 172.74 1jb0 n PRO 692 N 4.90 0.44 0.00 4.92 -0.02 -1.26 0.15 135.00 144.12 1jb0 n PRO 692 Ca -0.14 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1jb0 n PRO 692 Cb 0.48 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1jb0 n PRO 692 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1jb0 n LEU 693 N -2.68 0.00 -0.16 2.45 4.77 -1.26 -4.23 117.00 115.89 1jb0 n LEU 693 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1jb0 n LEU 693 Cb 0.50 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.85 1jb0 n LEU 693 CO 0.48 0.00 1.15 0.00 -1.33 0.00 0.00 177.39 177.69 1jb0 h ALA 694 N 0.00 1.43 -0.97 -1.18 0.00 -1.88 -2.11 119.26 114.55 1jb0 h ALA 694 Ca 0.00 -0.09 0.31 0.00 0.00 0.00 0.00 54.91 55.13 1jb0 h ALA 694 Cb 0.00 -0.26 -0.16 0.00 0.00 0.00 0.00 17.79 17.38 1jb0 h ALA 694 CO 0.00 0.47 0.44 -0.91 0.00 0.00 0.00 179.25 179.25 1jb0 h ASN 695 N 0.88 0.28 -0.95 0.00 2.35 -0.47 -1.91 115.58 115.76 1jb0 h ASN 695 Ca 0.23 0.21 0.26 0.00 -0.55 0.00 0.00 56.30 56.45 1jb0 h ASN 695 Cb 0.01 0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.55 1jb0 h ASN 695 CO -0.04 -0.21 0.67 -0.07 -1.65 0.00 0.00 177.43 176.13 1jb0 h LEU 696 N 0.21 0.09 -9.34 1.61 3.38 -1.66 -3.42 115.31 106.19 1jb0 h LEU 696 Ca 0.70 0.01 -0.64 0.00 0.09 0.00 0.00 57.88 58.05 1jb0 h LEU 696 Cb 1.60 -0.00 -0.14 0.00 0.09 0.00 0.00 40.66 42.21 1jb0 h LEU 696 CO -0.67 0.03 -0.71 0.68 0.09 0.00 0.00 178.44 177.85 1jb0 s VAL 697 N -5.07 3.39 0.02 1.22 -7.23 -0.72 -5.12 120.40 106.89 1jb0 s VAL 697 Ca -0.06 -1.44 -0.00 0.00 -1.81 0.00 0.00 61.98 58.67 1jb0 s VAL 697 Cb 0.22 -2.65 -0.02 0.00 0.56 0.00 0.00 36.38 34.49 1jb0 s VAL 697 CO 0.78 -0.02 -0.02 0.00 -0.31 0.00 0.00 175.10 175.53 1jb0 s ARG 698 N -2.60 0.36 0.50 4.82 1.70 -1.26 -5.01 118.95 117.46 1jb0 s ARG 698 Ca 0.24 -0.68 -0.21 0.00 -0.47 0.00 0.00 55.73 54.60 1jb0 s ARG 698 Cb -0.10 0.13 -0.07 0.00 -0.57 0.00 0.00 34.95 34.34 1jb0 s ARG 698 CO 0.15 -0.06 1.15 1.67 -1.08 0.00 0.00 175.30 177.13 1jb0 s TRP 699 N -1.79 2.77 -0.04 5.89 -2.14 -1.26 -4.95 118.94 117.42 1jb0 s TRP 699 Ca -0.13 1.54 0.11 0.00 2.66 0.00 0.00 56.10 60.28 1jb0 s TRP 699 Cb -0.08 -3.34 -0.23 0.00 -3.10 0.00 0.00 33.47 26.72 1jb0 s TRP 699 CO -0.02 -1.56 0.68 -0.22 -2.66 0.00 0.00 176.95 173.17 1jb0 h LYS 700 N 1.63 0.01 -5.15 3.25 3.64 -2.00 -3.44 116.57 114.50 1jb0 h LYS 700 Ca -0.50 -0.02 -0.64 0.00 -1.27 0.00 0.00 60.65 58.22 1jb0 h LYS 700 Cb 1.26 0.01 -0.23 0.00 -0.41 0.00 0.00 32.23 32.86 1jb0 h LYS 700 CO 0.59 0.55 -0.66 -0.51 -2.27 0.00 0.00 179.45 177.14 1jb0 s ASP 701 N -6.16 4.82 0.15 4.20 1.01 -1.26 -4.97 116.67 114.46 1jb0 s ASP 701 Ca -0.05 -0.19 -0.31 0.00 0.71 0.00 0.00 52.55 52.70 1jb0 s ASP 701 Cb 0.08 -1.82 -0.10 0.00 1.01 0.00 0.00 42.92 42.10 1jb0 s ASP 701 CO 0.82 0.08 1.55 -0.54 0.21 0.00 0.00 175.17 177.29 1jb0 s LYS 702 N 0.89 4.23 0.18 8.23 1.02 -0.47 -4.57 119.74 129.26 1jb0 s LYS 702 Ca 0.01 2.31 -0.30 0.00 0.02 0.00 0.00 55.97 58.00 1jb0 s LYS 702 Cb -0.14 -3.22 -0.09 0.00 -0.52 0.00 0.00 37.83 33.86 1jb0 s LYS 702 CO 0.02 -0.59 1.36 -2.14 -0.92 0.00 0.00 175.35 173.08 1jb0 s PRO 703 N 1.31 4.34 0.03 -1.68 0.02 -1.26 -1.49 135.00 136.27 1jb0 s PRO 703 Ca 0.70 2.11 -0.05 0.00 0.02 0.00 0.00 61.00 63.78 1jb0 s PRO 703 Cb -0.42 -3.20 -0.01 0.00 0.02 0.00 0.00 34.50 30.89 1jb0 s PRO 703 CO 0.31 -0.35 0.08 0.14 -0.33 0.00 0.00 177.00 176.86 1jb0 s VAL 704 N 0.44 0.12 0.77 3.83 -7.23 -1.26 -4.92 120.40 112.15 1jb0 s VAL 704 Ca 0.60 -0.99 -0.14 0.00 -1.81 0.00 0.00 61.98 59.64 1jb0 s VAL 704 Cb -0.38 -0.71 0.06 0.00 0.56 0.00 0.00 36.38 35.92 1jb0 s VAL 704 CO 0.36 -0.55 1.22 0.00 -0.31 0.00 0.00 175.10 175.83 1jb0 n ALA 705 N 1.04 0.24 -1.08 1.32 0.00 -1.26 -4.85 120.51 115.92 1jb0 n ALA 705 Ca -0.21 -0.25 -0.33 0.00 0.00 0.00 0.00 53.44 52.65 1jb0 n ALA 705 Cb 0.57 -2.26 0.13 0.00 0.00 0.00 0.00 19.45 17.89 1jb0 n ALA 705 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1jb0 n LEU 706 N -2.93 4.36 -4.79 0.00 4.77 -1.26 -4.94 117.00 112.21 1jb0 n LEU 706 Ca 0.14 0.58 -0.29 0.00 -0.03 0.00 0.00 56.01 56.41 1jb0 n LEU 706 Cb 0.50 -1.51 0.16 0.00 -2.33 0.00 0.00 43.42 40.24 1jb0 n LEU 706 CO 0.48 -1.72 0.73 -0.94 -1.33 0.00 0.00 177.39 174.61 1jb0 s SER 707 N -2.14 3.08 0.06 -1.43 1.04 -1.26 -4.83 113.70 108.22 1jb0 s SER 707 Ca 0.73 0.78 -0.24 0.00 0.48 0.00 0.00 55.95 57.70 1jb0 s SER 707 Cb -0.29 -1.20 -0.16 0.00 0.10 0.00 0.00 66.02 64.47 1jb0 s SER 707 CO 0.51 -2.80 1.62 0.40 0.98 0.00 0.00 173.24 173.95 1jb0 h ILE 708 N -1.67 1.10 -0.31 -1.02 2.04 -1.97 -1.90 117.51 113.78 1jb0 h ILE 708 Ca -0.48 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.03 1jb0 h ILE 708 Cb 1.31 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 1jb0 h ILE 708 CO 0.53 0.08 -0.00 0.58 0.00 0.00 0.00 178.15 179.34 1jb0 h VAL 709 N -0.12 1.26 -0.58 1.67 2.07 -1.91 -3.14 116.25 115.49 1jb0 h VAL 709 Ca 0.00 -0.95 0.12 0.00 0.82 0.00 0.00 66.70 66.69 1jb0 h VAL 709 Cb 0.13 1.26 -0.10 0.00 -1.52 0.00 0.00 31.29 31.06 1jb0 h VAL 709 CO -0.00 0.31 -0.01 -0.61 0.02 0.00 0.00 177.57 177.28 1jb0 h GLN 710 N 0.35 0.11 -0.82 1.57 4.15 -1.91 -1.12 115.11 117.44 1jb0 h GLN 710 Ca 0.09 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 1jb0 h GLN 710 Cb 0.44 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.07 1jb0 h GLN 710 CO 0.02 0.07 0.45 0.00 -1.93 0.00 0.00 178.83 177.44 1jb0 h ALA 711 N 1.53 1.25 -0.26 3.38 0.00 -1.34 0.24 119.26 124.06 1jb0 h ALA 711 Ca 0.30 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1jb0 h ALA 711 Cb 0.47 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1jb0 h ALA 711 CO -0.50 0.61 0.15 0.00 0.00 0.00 0.00 179.25 179.51 1jb0 h ARG 712 N 1.15 0.30 -0.26 0.00 3.08 -1.28 0.35 114.38 117.72 1jb0 h ARG 712 Ca 0.29 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 1jb0 h ARG 712 Cb 0.02 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1jb0 h ARG 712 CO -0.05 0.20 0.11 1.25 -1.07 0.00 0.00 179.97 180.41 1jb0 h LEU 713 N 0.31 0.35 -0.38 3.04 5.85 -0.44 0.15 115.31 124.20 1jb0 h LEU 713 Ca 0.10 -0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 1jb0 h LEU 713 Cb -0.01 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1jb0 h LEU 713 CO -0.05 0.41 -0.17 0.58 -0.34 0.00 0.00 178.44 178.88 1jb0 h VAL 714 N 0.27 1.28 0.00 1.05 2.07 -0.36 0.22 116.25 120.79 1jb0 h VAL 714 Ca 0.09 -1.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.31 1jb0 h VAL 714 Cb 0.17 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1jb0 h VAL 714 CO -0.01 0.43 -0.00 1.23 0.02 0.00 0.00 177.57 179.24 1jb0 h GLY 715 N 0.58 -0.00 1.11 2.17 0.00 -0.29 -0.82 103.07 105.82 1jb0 h GLY 715 Ca 0.09 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.43 1jb0 h GLY 715 CO 0.05 -0.00 0.57 -2.00 0.00 0.00 0.00 176.54 175.16 1jb0 h LEU 716 N -0.08 0.97 -0.56 3.11 5.85 -0.85 -0.31 115.31 123.44 1jb0 h LEU 716 Ca -0.00 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 1jb0 h LEU 716 Cb 0.08 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1jb0 h LEU 716 CO 0.00 0.69 0.05 0.00 -0.34 0.00 0.00 178.44 178.84 1jb0 h ALA 717 N 1.47 0.75 0.10 1.25 0.00 -0.56 0.90 119.26 123.17 1jb0 h ALA 717 Ca 0.32 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1jb0 h ALA 717 Cb -0.08 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1jb0 h ALA 717 CO -0.08 0.53 -0.05 0.45 0.00 0.00 0.00 179.25 180.10 1jb0 h HIS 718 N 0.84 -0.13 -0.50 0.00 3.86 -0.74 -0.17 115.15 118.31 1jb0 h HIS 718 Ca 0.17 -0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.47 1jb0 h HIS 718 Cb 0.47 0.04 -0.10 0.00 1.06 0.00 0.00 27.41 28.88 1jb0 h HIS 718 CO 0.03 0.13 -0.15 0.35 0.86 0.00 0.00 177.93 179.15 1jb0 h PHE 719 N -0.37 -0.34 -0.07 2.45 3.57 -0.90 -0.35 116.94 120.94 1jb0 h PHE 719 Ca -0.01 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1jb0 h PHE 719 Cb 0.31 0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.27 1jb0 h PHE 719 CO 0.00 -0.24 0.03 0.77 -2.23 0.00 0.00 178.31 176.64 1jb0 h SER 720 N -0.03 0.09 -0.60 0.41 0.02 -0.72 -0.27 113.55 112.45 1jb0 h SER 720 Ca 0.24 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1jb0 h SER 720 Cb 0.40 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1jb0 h SER 720 CO -0.53 0.20 0.39 0.58 -1.14 0.00 0.00 176.83 176.33 1jb0 h VAL 721 N -0.03 1.16 -0.53 2.27 2.07 -0.50 -1.64 116.25 119.05 1jb0 h VAL 721 Ca 0.02 -0.33 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 1jb0 h VAL 721 Cb 0.14 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1jb0 h VAL 721 CO -0.00 0.16 -0.01 1.23 0.02 0.00 0.00 177.57 178.97 1jb0 h GLY 722 N 0.82 1.02 0.50 2.17 0.00 -1.01 -0.79 103.07 105.78 1jb0 h GLY 722 Ca 0.22 -0.76 0.05 0.00 0.00 0.00 0.00 47.33 46.84 1jb0 h GLY 722 CO -0.04 0.70 -0.09 -1.82 0.00 0.00 0.00 176.54 175.28 1jb0 h TYR 723 N 0.82 -0.21 -0.21 5.60 3.20 -0.73 0.33 116.97 125.77 1jb0 h TYR 723 Ca 0.15 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.85 1jb0 h TYR 723 Cb 0.54 0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.94 1jb0 h TYR 723 CO 0.04 -0.14 -0.61 0.82 -1.64 0.00 0.00 178.16 176.63 1jb0 h ILE 724 N -0.06 1.29 -0.44 1.81 2.04 -1.21 -2.91 117.51 118.03 1jb0 h ILE 724 Ca 0.11 -1.81 -0.12 0.00 1.00 0.00 0.00 64.86 64.04 1jb0 h ILE 724 Cb 0.22 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 1jb0 h ILE 724 CO -0.25 0.58 -0.19 -0.07 0.00 0.00 0.00 178.15 178.22 1jb0 h LEU 725 N 0.52 0.94 -0.26 1.44 3.38 -0.94 -0.89 115.31 119.50 1jb0 h LEU 725 Ca -0.02 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.58 1jb0 h LEU 725 Cb 1.23 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1jb0 h LEU 725 CO 0.13 1.13 0.12 0.74 0.09 0.00 0.00 178.44 180.65 1jb0 h THR 726 N 0.75 0.98 -0.18 0.22 2.02 -0.99 -1.60 112.91 114.11 1jb0 h THR 726 Ca 0.10 -0.09 -0.15 0.00 0.77 0.00 0.00 66.41 67.05 1jb0 h THR 726 Cb 0.76 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1jb0 h THR 726 CO 0.06 0.05 -0.51 0.22 0.37 0.00 0.00 175.52 175.71 1jb0 h TYR 727 N 0.26 0.62 -0.45 3.16 3.20 -1.44 -2.65 116.97 119.66 1jb0 h TYR 727 Ca 0.11 -0.21 -0.05 0.00 3.14 0.00 0.00 58.73 61.72 1jb0 h TYR 727 Cb 0.05 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 1jb0 h TYR 727 CO -0.10 0.91 0.07 0.00 -1.64 0.00 0.00 178.16 177.39 1jb0 h ALA 728 N 1.06 0.60 -0.49 1.82 0.00 -0.95 0.19 119.26 121.49 1jb0 h ALA 728 Ca 0.02 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1jb0 h ALA 728 Cb 1.02 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1jb0 h ALA 728 CO 0.09 0.33 0.32 0.00 0.00 0.00 0.00 179.25 180.00 1jb0 h ALA 729 N 0.95 0.62 0.12 0.00 0.00 -1.22 -0.82 119.26 118.91 1jb0 h ALA 729 Ca 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1jb0 h ALA 729 Cb 0.39 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1jb0 h ALA 729 CO 0.01 0.06 -0.06 0.35 0.00 0.00 0.00 179.25 179.61 1jb0 h PHE 730 N 0.66 -0.15 -0.27 0.00 3.57 -1.27 -1.06 116.94 118.41 1jb0 h PHE 730 Ca 0.18 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.74 1jb0 h PHE 730 Cb -0.07 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.67 1jb0 h PHE 730 CO -0.04 0.14 -0.12 1.25 -2.23 0.00 0.00 178.31 177.30 1jb0 h LEU 731 N -0.44 -0.41 0.11 0.59 5.85 -0.47 0.11 115.31 120.66 1jb0 h LEU 731 Ca -0.02 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1jb0 h LEU 731 Cb 0.36 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.62 1jb0 h LEU 731 CO 0.03 -0.15 -0.05 0.40 -0.34 0.00 0.00 178.44 178.32 1jb0 h ILE 732 N -0.08 1.09 -0.56 4.05 1.08 -1.17 -2.98 117.51 118.94 1jb0 h ILE 732 Ca 0.14 -0.87 -0.09 0.00 -0.39 0.00 0.00 64.86 63.65 1jb0 h ILE 732 Cb 0.29 1.63 -0.02 0.00 -3.07 0.00 0.00 36.82 35.65 1jb0 h ILE 732 CO -0.32 0.21 -0.00 0.00 -0.69 0.00 0.00 178.15 177.34 1jb0 h ALA 733 N 0.26 0.75 -0.77 1.87 0.00 -1.11 -0.46 119.26 119.80 1jb0 h ALA 733 Ca -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1jb0 h ALA 733 Cb 0.45 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1jb0 h ALA 733 CO 0.02 0.58 0.39 0.66 0.00 0.00 0.00 179.25 180.91 1jb0 h SER 734 N 0.87 0.99 0.23 0.00 4.64 -0.87 -1.17 113.55 118.24 1jb0 h SER 734 Ca 0.16 -0.12 -0.28 0.00 -0.47 0.00 0.00 61.79 61.08 1jb0 h SER 734 Cb 0.54 -0.25 0.02 0.00 -0.31 0.00 0.00 62.40 62.40 1jb0 h SER 734 CO 0.03 0.83 -1.16 0.74 -0.87 0.00 0.00 176.83 176.40 1jb0 h THR 735 N 1.08 1.34 -0.15 2.95 2.02 -1.45 -3.30 112.91 115.40 1jb0 h THR 735 Ca 0.27 -2.51 -0.09 0.00 0.77 0.00 0.00 66.41 64.85 1jb0 h THR 735 Cb 0.09 2.63 -0.01 0.00 -1.74 0.00 0.00 68.15 69.11 1jb0 h THR 735 CO -0.04 0.76 -0.31 0.00 0.37 0.00 0.00 175.52 176.31 1jb0 h ALA 736 N 0.44 1.20 0.00 6.16 0.00 -0.95 -1.93 119.26 124.19 1jb0 h ALA 736 Ca -0.15 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1jb0 h ALA 736 Cb 1.83 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1jb0 h ALA 736 CO 0.21 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.99 1jb0 n ALA 737 N -2.48 1.78 -2.00 0.00 0.00 -0.45 -4.71 120.51 112.64 1jb0 n ALA 737 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1jb0 n ALA 737 Cb 0.41 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1jb0 n ALA 737 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1jb0 n LYS 738 N -1.77 0.00 0.00 0.00 0.00 -0.98 -5.10 118.16 110.31 1jb0 n LYS 738 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1jb0 n LYS 738 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.25 1jb0 n LYS 738 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59