#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j46 n PHE 2 N 0.00 0.00 -0.20 2.03 3.01 -1.03 -4.90 117.46 116.37 2j46 n PHE 2 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.45 2j46 n PHE 2 Cb 0.00 -0.03 0.05 0.00 -0.01 0.00 0.00 39.48 39.50 2j46 n PHE 2 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 2j46 h GLN 3 N 2.53 -0.00 -0.32 -1.08 4.15 -1.86 0.11 115.11 118.64 2j46 h GLN 3 Ca 0.00 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.31 2j46 h GLN 3 Cb 0.00 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 2j46 h GLN 3 CO 0.00 -0.00 -0.23 0.37 -1.93 0.00 0.00 178.83 177.04 2j46 h GLN 4 N -0.00 0.71 -0.29 1.69 5.75 -1.90 -1.96 115.11 119.11 2j46 h GLN 4 Ca 0.28 -0.34 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 2j46 h GLN 4 Cb 0.43 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 2j46 h GLN 4 CO -0.61 0.96 0.18 1.25 -2.65 0.00 0.00 178.83 177.96 2j46 h LEU 5 N 0.48 0.34 -0.11 -2.39 5.85 -1.63 -0.24 115.31 117.61 2j46 h LEU 5 Ca 0.06 -0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.78 2j46 h LEU 5 Cb 0.78 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 2j46 h LEU 5 CO 0.06 0.28 -0.15 0.28 -0.34 0.00 0.00 178.44 178.58 2j46 h SER 6 N 0.37 -0.46 -0.06 1.25 0.02 -0.71 0.15 113.55 114.10 2j46 h SER 6 Ca 0.10 0.08 0.04 0.00 -0.84 0.00 0.00 61.79 61.18 2j46 h SER 6 Cb 0.00 0.21 -0.06 0.00 0.14 0.00 0.00 62.40 62.70 2j46 h SER 6 CO -0.02 -0.20 -0.33 0.00 -1.14 0.00 0.00 176.83 175.14 2j46 h ALA 7 N 0.84 -0.44 -0.72 3.77 0.00 -1.14 -0.98 119.26 120.59 2j46 h ALA 7 Ca 0.09 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2j46 h ALA 7 Cb 0.32 0.60 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2j46 h ALA 7 CO -0.22 -0.83 0.21 0.00 0.00 0.00 0.00 179.25 178.42 2j46 h ARG 8 N -0.45 1.11 -0.39 0.00 2.47 -0.54 0.48 114.38 117.07 2j46 h ARG 8 Ca 0.08 -0.24 -0.09 0.00 -1.26 0.00 0.00 59.98 58.47 2j46 h ARG 8 Cb 0.56 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.71 2j46 h ARG 8 CO -0.31 0.95 -0.11 -0.07 0.56 0.00 0.00 179.97 180.99 2j46 h LEU 9 N 1.07 0.77 -1.11 3.04 3.38 -0.58 -1.71 115.31 120.16 2j46 h LEU 9 Ca 0.23 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2j46 h LEU 9 Cb 0.31 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2j46 h LEU 9 CO -0.01 0.96 0.17 1.56 0.09 0.00 0.00 178.44 181.21 2j46 h GLN 10 N 0.57 0.80 -0.50 1.13 4.20 -0.74 -1.69 115.11 118.88 2j46 h GLN 10 Ca 0.10 -0.14 -0.12 0.00 0.06 0.00 0.00 58.65 58.55 2j46 h GLN 10 Cb 0.63 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 2j46 h GLN 10 CO 0.04 0.69 -0.16 0.93 -0.67 0.00 0.00 178.83 179.66 2j46 h GLU 11 N 0.78 0.99 -0.49 1.46 5.08 -0.80 0.37 114.58 121.98 2j46 h GLU 11 Ca 0.18 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 2j46 h GLU 11 Cb 0.23 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2j46 h GLU 11 CO -0.01 1.08 0.26 0.00 -1.00 0.00 0.00 179.01 179.34 2j46 h ALA 12 N 0.89 0.63 -0.44 3.43 0.00 -0.99 -1.12 119.26 121.66 2j46 h ALA 12 Ca 0.12 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2j46 h ALA 12 Cb 0.73 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2j46 h ALA 12 CO 0.06 0.16 0.05 0.82 0.00 0.00 0.00 179.25 180.33 2j46 h ILE 13 N 0.65 1.25 -0.05 0.00 2.04 -1.21 -3.15 117.51 117.03 2j46 h ILE 13 Ca 0.17 -0.94 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 2j46 h ILE 13 Cb 0.07 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2j46 h ILE 13 CO -0.03 0.33 -0.18 1.23 0.00 0.00 0.00 178.15 179.50 2j46 h GLY 14 N 0.59 0.09 1.53 5.37 0.00 -0.62 -1.84 103.07 108.19 2j46 h GLY 14 Ca 0.13 -0.05 0.06 0.00 0.00 0.00 0.00 47.33 47.47 2j46 h GLY 14 CO 0.01 0.05 0.18 -0.09 0.00 0.00 0.00 176.54 176.69 2j46 h ARG 15 N 0.08 0.05 0.00 4.80 2.43 -1.16 -1.99 114.38 118.58 2j46 h ARG 15 Ca 0.02 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2j46 h ARG 15 Cb 0.36 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2j46 h ARG 15 CO 0.02 0.03 0.00 1.28 -1.51 0.00 0.00 179.97 179.80 2j46 n LEU 16 N -4.47 0.33 -4.80 3.80 4.77 -0.69 -4.85 117.00 111.09 2j46 n LEU 16 Ca 0.03 0.55 -0.34 0.00 -0.03 0.00 0.00 56.01 56.22 2j46 n LEU 16 Cb 0.30 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 40.88 2j46 n LEU 16 CO 0.35 -0.19 0.69 -0.13 -1.33 0.00 0.00 177.39 176.79 2j46 s ARG 17 N -3.08 4.00 -0.88 3.23 0.52 -0.75 -4.18 118.95 117.81 2j46 s ARG 17 Ca 0.10 1.28 0.00 0.00 -0.52 0.00 0.00 55.73 56.59 2j46 s ARG 17 Cb 0.14 -2.17 0.00 0.00 0.52 0.00 0.00 34.95 33.44 2j46 s ARG 17 CO 0.48 -0.25 0.00 0.41 0.02 0.00 0.00 175.30 175.95 2j46 n GLY 18 N -0.33 0.49 0.00 -3.53 0.00 -1.26 -4.89 105.19 95.66 2j46 n GLY 18 Ca 0.08 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.55 2j46 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j46 n ARG 19 N -2.27 -0.18 0.00 1.61 1.74 -1.26 -5.13 116.66 111.17 2j46 n ARG 19 Ca -0.10 -0.65 0.00 0.00 -0.77 0.00 0.00 57.85 56.33 2j46 n ARG 19 Cb 0.46 -0.95 0.00 0.00 -1.02 0.00 0.00 32.46 30.94 2j46 n ARG 19 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2j46 n GLY 20 N -0.09 -0.12 3.75 -0.13 0.00 -1.26 -4.80 105.19 102.54 2j46 n GLY 20 Ca 0.00 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 2j46 n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2j46 s ARG 21 N 0.00 2.95 0.29 1.61 0.52 -1.26 -4.70 118.95 118.36 2j46 s ARG 21 Ca 0.00 2.01 0.08 0.00 -0.52 0.00 0.00 55.73 57.30 2j46 s ARG 21 Cb 0.00 -2.03 -0.04 0.00 0.52 0.00 0.00 34.95 33.40 2j46 s ARG 21 CO 0.00 -1.27 0.15 0.96 0.02 0.00 0.00 175.30 175.15 2j46 s ILE 22 N -1.44 3.73 0.54 1.52 -4.36 -1.26 -5.12 121.20 114.81 2j46 s ILE 22 Ca 0.76 -1.60 0.01 0.00 -0.26 0.00 0.00 60.65 59.57 2j46 s ILE 22 Cb -0.35 -3.13 0.03 0.00 1.25 0.00 0.00 42.46 40.26 2j46 s ILE 22 CO 0.39 -0.29 0.76 0.42 0.24 0.00 0.00 174.94 176.46 2j46 s THR 23 N -2.27 2.83 0.25 8.37 -4.23 -1.26 -4.77 115.64 114.55 2j46 s THR 23 Ca 0.35 -0.64 -0.04 0.00 -1.18 0.00 0.00 61.69 60.18 2j46 s THR 23 Cb -0.06 -3.06 0.24 0.00 1.34 0.00 0.00 72.50 70.95 2j46 s THR 23 CO 0.23 -0.04 1.69 -0.33 -0.54 0.00 0.00 174.62 175.63 2j46 h GLU 24 N 0.10 0.29 -0.20 3.99 5.08 -2.00 -1.24 114.58 120.61 2j46 h GLU 24 Ca -0.43 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 57.77 2j46 h GLU 24 Cb 1.29 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2j46 h GLU 24 CO 0.53 0.19 -0.50 0.93 -1.00 0.00 0.00 179.01 179.16 2j46 h GLU 25 N 0.29 0.55 -0.62 2.33 4.39 -1.99 -1.99 114.58 117.54 2j46 h GLU 25 Ca 0.43 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 2j46 h GLU 25 Cb 0.73 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.38 2j46 h GLU 25 CO -0.50 0.92 0.36 -0.44 -1.16 0.00 0.00 179.01 178.19 2j46 h ASP 26 N 0.43 0.77 -0.48 1.42 3.32 -1.75 -1.65 116.42 118.48 2j46 h ASP 26 Ca 0.02 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 2j46 h ASP 26 Cb 1.03 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 2j46 h ASP 26 CO 0.09 0.63 0.27 0.25 -1.72 0.00 0.00 179.24 178.76 2j46 h LEU 27 N 0.85 0.59 -1.13 1.55 5.85 -1.05 -1.95 115.31 120.02 2j46 h LEU 27 Ca 0.22 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 2j46 h LEU 27 Cb 0.02 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2j46 h LEU 27 CO -0.04 0.50 0.39 0.11 -0.34 0.00 0.00 178.44 179.06 2j46 h LYS 28 N 0.64 0.99 -0.42 1.25 1.57 -1.11 -1.11 116.57 118.38 2j46 h LYS 28 Ca 0.17 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2j46 h LYS 28 Cb 0.03 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 2j46 h LYS 28 CO -0.03 0.73 0.22 0.00 -0.57 0.00 0.00 179.45 179.80 2j46 h ALA 29 N 1.43 0.54 -0.75 3.86 0.00 -0.95 -1.28 119.26 122.10 2j46 h ALA 29 Ca 0.25 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2j46 h ALA 29 Cb 0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2j46 h ALA 29 CO -0.04 0.08 0.32 1.15 0.00 0.00 0.00 179.25 180.75 2j46 h THR 30 N 0.54 1.25 -0.60 0.00 2.02 -0.81 -1.16 112.91 114.15 2j46 h THR 30 Ca 0.15 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.55 2j46 h THR 30 Cb 0.08 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 2j46 h THR 30 CO -0.02 0.31 0.32 -0.07 0.37 0.00 0.00 175.52 176.43 2j46 h LEU 31 N 1.07 0.75 -0.92 2.58 3.38 -0.94 -0.71 115.31 120.52 2j46 h LEU 31 Ca 0.25 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 2j46 h LEU 31 Cb 0.19 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 2j46 h LEU 31 CO -0.02 0.64 0.55 0.03 0.09 0.00 0.00 178.44 179.73 2j46 h ARG 32 N 0.81 1.25 -0.72 1.13 3.08 -0.97 -1.09 114.38 117.87 2j46 h ARG 32 Ca 0.21 -0.11 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 2j46 h ARG 32 Cb 0.06 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 29.82 2j46 h ARG 32 CO -0.03 0.87 0.17 1.49 -1.07 0.00 0.00 179.97 181.40 2j46 h GLU 33 N 1.26 1.15 -0.43 0.04 4.81 -0.63 -1.09 114.58 119.69 2j46 h GLU 33 Ca 0.33 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 2j46 h GLU 33 Cb -0.06 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.15 2j46 h GLU 33 CO -0.06 1.01 0.19 0.82 -0.73 0.00 0.00 179.01 180.23 2j46 h ILE 34 N 1.09 1.19 -0.35 2.32 2.04 -0.86 -0.66 117.51 122.27 2j46 h ILE 34 Ca 0.23 -0.57 0.06 0.00 1.00 0.00 0.00 64.86 65.57 2j46 h ILE 34 Cb 0.38 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.18 2j46 h ILE 34 CO 0.00 0.21 0.05 -0.09 0.00 0.00 0.00 178.15 178.32 2j46 h ARG 35 N 0.55 0.15 -0.59 2.37 2.43 -0.88 -1.47 114.38 116.94 2j46 h ARG 35 Ca 0.14 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2j46 h ARG 35 Cb 0.16 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 2j46 h ARG 35 CO -0.01 0.10 0.34 0.00 -1.51 0.00 0.00 179.97 178.89 2j46 h ARG 36 N 0.16 0.82 -0.60 0.20 3.08 -1.03 -0.34 114.38 116.67 2j46 h ARG 36 Ca 0.17 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 60.17 2j46 h ARG 36 Cb 0.21 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 2j46 h ARG 36 CO -0.24 0.60 0.34 0.00 -1.07 0.00 0.00 179.97 179.61 2j46 h ALA 37 N 1.17 0.79 -0.36 0.04 0.00 -0.72 -0.07 119.26 120.10 2j46 h ALA 37 Ca 0.21 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2j46 h ALA 37 Cb 0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2j46 h ALA 37 CO -0.04 0.04 0.11 -0.07 0.00 0.00 0.00 179.25 179.30 2j46 h LEU 38 N 0.66 0.53 -1.02 0.00 3.38 -0.80 -2.57 115.31 115.49 2j46 h LEU 38 Ca 0.26 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 2j46 h LEU 38 Cb 0.10 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2j46 h LEU 38 CO -0.14 0.60 -0.26 0.24 0.09 0.00 0.00 178.44 178.97 2j46 h MET 39 N 0.43 0.38 0.00 1.13 2.86 -0.85 -1.31 114.93 117.57 2j46 h MET 39 Ca 0.12 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 2j46 h MET 39 Cb 0.26 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 2j46 h MET 39 CO -0.00 0.62 -0.16 -0.44 1.06 0.00 0.00 176.91 177.98 2j46 h ASP 40 N 0.34 0.00 -0.18 1.22 3.32 -0.93 -1.10 116.42 119.08 2j46 h ASP 40 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2j46 h ASP 40 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 2j46 h ASP 40 CO 0.05 0.16 0.00 0.00 -1.72 0.00 0.00 179.24 177.73 2j46 n ALA 41 N -2.31 2.48 -1.01 3.45 0.00 -0.58 -4.91 120.51 117.64 2j46 n ALA 41 Ca -0.02 -0.34 -0.00 0.00 0.00 0.00 0.00 53.44 53.08 2j46 n ALA 41 Cb 0.28 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 18.71 2j46 n ALA 41 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2j46 n ASP 42 N 0.03 -3.14 -4.76 0.00 8.00 -0.42 0.16 116.55 116.43 2j46 n ASP 42 Ca 0.08 0.01 -0.41 0.00 0.71 0.00 0.00 54.79 55.17 2j46 n ASP 42 Cb 0.17 -0.66 -0.02 0.00 -0.02 0.00 0.00 41.12 40.59 2j46 n ASP 42 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2j46 s VAL 43 N -1.97 2.61 0.86 2.53 1.01 -0.70 -4.42 120.40 120.31 2j46 s VAL 43 Ca 0.00 0.55 -0.12 0.00 0.00 0.00 0.00 61.98 62.41 2j46 s VAL 43 Cb 0.00 -3.35 0.10 0.00 0.00 0.00 0.00 36.38 33.13 2j46 s VAL 43 CO 0.00 0.11 1.11 0.54 0.00 0.00 0.00 175.10 176.86 2j46 s ASN 44 N 0.03 3.97 0.18 3.32 2.20 -1.26 -4.22 114.94 119.16 2j46 s ASN 44 Ca 0.55 1.19 -0.13 0.00 -0.94 0.00 0.00 52.86 53.54 2j46 s ASN 44 Cb -0.42 -1.86 0.13 0.00 -2.00 0.00 0.00 41.25 37.10 2j46 s ASN 44 CO 0.49 -2.29 1.79 0.25 -2.94 0.00 0.00 177.10 174.40 2j46 h LEU 45 N -1.31 0.40 -0.01 3.54 5.85 -1.98 -1.19 115.31 120.60 2j46 h LEU 45 Ca -0.49 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 2j46 h LEU 45 Cb 1.30 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 2j46 h LEU 45 CO 0.60 0.28 0.01 -0.08 -0.34 0.00 0.00 178.44 178.90 2j46 h GLU 46 N 0.53 0.02 -0.50 1.25 4.81 -1.99 0.20 114.58 118.90 2j46 h GLU 46 Ca 0.22 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2j46 h GLU 46 Cb 0.11 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2j46 h GLU 46 CO -0.14 0.09 0.30 0.28 -0.73 0.00 0.00 179.01 178.81 2j46 h VAL 47 N -0.06 1.15 -0.55 0.32 2.07 -1.89 -1.37 116.25 115.94 2j46 h VAL 47 Ca 0.00 -0.35 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 2j46 h VAL 47 Cb 0.07 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2j46 h VAL 47 CO -0.00 0.16 0.04 0.00 0.02 0.00 0.00 177.57 177.79 2j46 h ALA 48 N 1.14 0.74 -0.81 1.67 0.00 -1.03 -1.11 119.26 119.86 2j46 h ALA 48 Ca 0.18 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2j46 h ALA 48 Cb -0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 2j46 h ALA 48 CO -0.03 0.52 0.35 0.00 0.00 0.00 0.00 179.25 180.09 2j46 h ARG 49 N 0.83 1.20 -0.67 0.00 3.08 -0.80 -1.69 114.38 116.32 2j46 h ARG 49 Ca 0.16 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 2j46 h ARG 49 Cb 0.48 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 2j46 h ARG 49 CO 0.02 0.95 0.11 -0.44 -1.07 0.00 0.00 179.97 179.54 2j46 h ASP 50 N 1.17 1.07 -0.06 7.04 3.32 -1.02 -1.22 116.42 126.72 2j46 h ASP 50 Ca 0.27 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2j46 h ASP 50 Cb 0.19 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 2j46 h ASP 50 CO -0.03 1.06 0.04 0.15 -1.72 0.00 0.00 179.24 178.74 2j46 h PHE 51 N 1.04 0.08 0.00 4.55 3.04 -0.90 -1.44 116.94 123.31 2j46 h PHE 51 Ca 0.20 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.10 2j46 h PHE 51 Cb 0.45 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.92 2j46 h PHE 51 CO 0.03 0.09 -0.26 -0.24 -2.02 0.00 0.00 178.31 175.91 2j46 h VAL 52 N 0.05 0.57 -0.45 1.41 3.04 -1.19 -1.78 116.25 117.90 2j46 h VAL 52 Ca 0.02 -1.33 -0.07 0.00 -1.01 0.00 0.00 66.70 64.31 2j46 h VAL 52 Cb 0.03 1.92 -0.02 0.00 -2.01 0.00 0.00 31.29 31.21 2j46 h VAL 52 CO -0.00 0.26 0.01 -0.08 -1.01 0.00 0.00 177.57 176.74 2j46 h GLU 53 N 0.00 0.79 0.50 4.17 4.57 -1.06 -0.46 114.58 123.09 2j46 h GLU 53 Ca -0.00 -0.25 -0.02 0.00 -1.18 0.00 0.00 59.36 57.91 2j46 h GLU 53 Cb 0.90 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.40 2j46 h GLU 53 CO 0.03 0.85 -0.34 -0.09 -1.18 0.00 0.00 179.01 178.28 2j46 h ARG 54 N 0.64 -0.79 -0.47 1.92 9.65 -0.78 -1.49 114.38 123.06 2j46 h ARG 54 Ca 0.13 0.05 0.08 0.00 -1.10 0.00 0.00 59.98 59.14 2j46 h ARG 54 Cb 0.49 0.18 -0.07 0.00 -1.39 0.00 0.00 29.97 29.18 2j46 h ARG 54 CO 0.02 -0.52 0.09 -0.24 2.80 0.00 0.00 179.97 182.12 2j46 h VAL 55 N -0.82 0.73 -0.37 0.20 3.04 -1.35 -0.98 116.25 116.71 2j46 h VAL 55 Ca -0.05 -0.08 0.07 0.00 -1.01 0.00 0.00 66.70 65.63 2j46 h VAL 55 Cb 0.68 0.49 -0.07 0.00 -2.01 0.00 0.00 31.29 30.39 2j46 h VAL 55 CO 0.03 0.04 -0.06 -0.09 -1.01 0.00 0.00 177.57 176.48 2j46 h ARG 56 N 0.22 0.03 -0.09 4.17 2.43 -0.88 0.23 114.38 120.50 2j46 h ARG 56 Ca 0.24 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2j46 h ARG 56 Cb 0.31 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2j46 h ARG 56 CO -0.31 0.02 0.05 0.93 -1.51 0.00 0.00 179.97 179.15 2j46 h GLU 57 N 0.03 0.12 -0.44 0.20 5.08 -0.82 -1.49 114.58 117.25 2j46 h GLU 57 Ca 0.18 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 2j46 h GLU 57 Cb 0.27 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2j46 h GLU 57 CO -0.35 0.12 -0.15 0.93 -1.00 0.00 0.00 179.01 178.56 2j46 h GLU 58 N 0.08 0.82 -0.39 2.33 4.39 -0.78 -1.27 114.58 119.76 2j46 h GLU 58 Ca 0.03 -0.30 -0.08 0.00 0.34 0.00 0.00 59.36 59.35 2j46 h GLU 58 Cb 0.04 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 2j46 h GLU 58 CO -0.01 0.91 -0.09 0.00 -1.16 0.00 0.00 179.01 178.67 2j46 h ALA 59 N 1.10 0.53 -0.81 3.43 0.00 -0.42 -1.24 119.26 121.86 2j46 h ALA 59 Ca 0.11 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2j46 h ALA 59 Cb 0.65 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 2j46 h ALA 59 CO 0.05 0.39 0.39 -0.07 0.00 0.00 0.00 179.25 180.00 2j46 h LEU 60 N 0.55 1.05 -1.62 0.00 3.38 -1.20 -1.57 115.31 115.89 2j46 h LEU 60 Ca 0.10 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2j46 h LEU 60 Cb 0.60 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2j46 h LEU 60 CO 0.04 0.88 -0.21 1.23 0.09 0.00 0.00 178.44 180.47 2j46 h GLY 61 N 1.17 0.00 -2.34 0.83 0.00 -0.80 -1.37 103.07 100.56 2j46 h GLY 61 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2j46 h GLY 61 CO -0.04 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.78 2j46 n LYS 62 N -4.13 3.04 -3.76 4.80 5.02 -0.51 -4.95 118.16 117.66 2j46 n LYS 62 Ca -0.02 -1.93 -0.27 0.00 -2.02 0.00 0.00 58.31 54.07 2j46 n LYS 62 Cb 0.28 -1.78 0.02 0.00 -0.02 0.00 0.00 35.03 33.53 2j46 n LYS 62 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2j46 n GLN 63 N 0.58 -2.61 -0.18 1.97 3.00 -0.52 -4.88 117.38 114.74 2j46 n GLN 63 Ca 0.17 0.48 0.02 0.00 -0.01 0.00 0.00 57.00 57.66 2j46 n GLN 63 Cb 0.71 -4.49 0.29 0.00 0.00 0.00 0.00 30.24 26.75 2j46 n GLN 63 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.06 176.82 2j46 h VAL 64 N -1.85 1.15 0.00 5.09 3.04 -1.52 -2.35 116.25 119.80 2j46 h VAL 64 Ca -0.64 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 64.74 2j46 h VAL 64 Cb 1.36 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.81 2j46 h VAL 64 CO 0.54 0.16 0.00 -0.07 -1.01 0.00 0.00 177.57 177.20 2j46 h LEU 65 N 0.90 0.00 0.00 3.16 3.38 -1.86 -2.96 115.31 117.93 2j46 h LEU 65 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2j46 h LEU 65 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2j46 h LEU 65 CO -0.07 0.00 -0.96 -0.62 0.09 0.00 0.00 178.44 176.89 2j46 n GLU 66 N -2.92 0.14 -2.27 1.13 -0.58 -0.93 -4.32 120.64 110.89 2j46 n GLU 66 Ca 0.02 -0.01 -0.39 0.00 -0.42 0.00 0.00 57.16 56.35 2j46 n GLU 66 Cb 0.36 -1.53 -0.02 0.00 -0.57 0.00 0.00 31.44 29.67 2j46 n GLU 66 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2j46 s SER 67 N -3.40 6.75 0.24 1.62 0.15 -0.97 -4.93 113.70 113.15 2j46 s SER 67 Ca 0.06 2.44 0.25 0.00 0.70 0.00 0.00 55.95 59.40 2j46 s SER 67 Cb 0.16 -2.63 0.90 0.00 -1.71 0.00 0.00 66.02 62.74 2j46 s SER 67 CO 0.81 -0.53 1.75 0.18 1.20 0.00 0.00 173.24 176.65 2j46 n LEU 68 N 0.53 0.75 -3.22 3.45 4.77 -1.26 -4.07 117.00 117.95 2j46 n LEU 68 Ca 0.02 0.62 -0.24 0.00 -0.03 0.00 0.00 56.01 56.38 2j46 n LEU 68 Cb 0.45 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 2j46 n LEU 68 CO 0.54 -0.38 -0.12 0.35 -1.33 0.00 0.00 177.39 176.45 2j46 n THR 69 N -2.26 0.80 0.20 -5.08 -2.24 -1.26 -4.63 114.28 99.82 2j46 n THR 69 Ca 0.04 -4.69 0.08 0.00 -2.27 0.00 0.00 64.05 57.21 2j46 n THR 69 Cb 0.33 -1.58 0.61 0.00 -2.10 0.00 0.00 70.33 67.58 2j46 n THR 69 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2j46 h PRO 70 N 3.70 0.09 -0.99 -0.78 0.13 -1.83 -0.61 132.00 131.71 2j46 h PRO 70 Ca 0.12 -0.01 0.12 0.00 -0.87 0.00 0.00 66.00 65.36 2j46 h PRO 70 Cb 0.78 -0.02 -0.08 0.00 0.13 0.00 0.00 31.00 31.81 2j46 h PRO 70 CO 0.62 0.06 0.63 0.00 -0.23 0.00 0.00 178.00 179.08 2j46 h ALA 71 N 1.95 1.54 -0.23 -0.56 0.00 -1.84 -0.78 119.26 119.33 2j46 h ALA 71 Ca 0.04 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 2j46 h ALA 71 Cb 0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2j46 h ALA 71 CO -0.01 0.22 -0.44 0.93 0.00 0.00 0.00 179.25 179.95 2j46 h GLU 72 N 0.98 0.59 -0.28 0.00 4.39 -1.47 0.59 114.58 119.39 2j46 h GLU 72 Ca 0.49 -0.32 -0.02 0.00 0.34 0.00 0.00 59.36 59.85 2j46 h GLU 72 Cb 0.49 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2j46 h GLU 72 CO -0.25 0.92 0.11 0.28 -1.16 0.00 0.00 179.01 178.90 2j46 h VAL 73 N 0.48 1.18 -0.51 3.13 2.07 -1.30 -1.38 116.25 119.91 2j46 h VAL 73 Ca 0.03 -0.55 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 2j46 h VAL 73 Cb 0.96 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 2j46 h VAL 73 CO 0.09 0.19 0.23 0.40 0.02 0.00 0.00 177.57 178.49 2j46 h ILE 74 N 0.29 1.20 -0.37 4.57 1.08 -1.06 -1.70 117.51 121.53 2j46 h ILE 74 Ca 0.09 -0.60 0.08 0.00 -0.39 0.00 0.00 64.86 64.04 2j46 h ILE 74 Cb 0.19 0.66 -0.07 0.00 -3.07 0.00 0.00 36.82 34.53 2j46 h ILE 74 CO -0.01 0.23 -0.11 0.25 -0.69 0.00 0.00 178.15 177.82 2j46 h LEU 75 N 0.68 -0.40 -1.02 1.44 5.85 -0.70 0.08 115.31 121.24 2j46 h LEU 75 Ca 0.17 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.97 2j46 h LEU 75 Cb 0.15 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2j46 h LEU 75 CO -0.02 -0.14 0.24 0.00 -0.34 0.00 0.00 178.44 178.18 2j46 h ALA 76 N 1.33 1.22 0.08 1.25 0.00 -0.94 -0.29 119.26 121.91 2j46 h ALA 76 Ca 0.18 -0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.67 2j46 h ALA 76 Cb 0.30 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2j46 h ALA 76 CO -0.40 0.57 -1.12 1.79 0.00 0.00 0.00 179.25 180.09 2j46 h THR 77 N 0.93 1.50 -0.56 0.00 1.35 -0.93 -1.78 112.91 113.42 2j46 h THR 77 Ca 0.21 -2.93 -0.10 0.00 -0.55 0.00 0.00 66.41 63.05 2j46 h THR 77 Cb 0.20 2.78 -0.02 0.00 -1.73 0.00 0.00 68.15 69.38 2j46 h THR 77 CO -0.02 0.85 -0.03 0.58 -0.25 0.00 0.00 175.52 176.66 2j46 h VAL 78 N 0.10 1.27 -0.25 6.82 2.07 -0.88 -1.56 116.25 123.82 2j46 h VAL 78 Ca -0.10 -1.16 0.01 0.00 0.82 0.00 0.00 66.70 66.27 2j46 h VAL 78 Cb 1.82 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 2j46 h VAL 78 CO 0.18 0.42 0.13 0.22 0.02 0.00 0.00 177.57 178.54 2j46 h TYR 79 N 0.89 0.25 -0.79 1.57 3.20 -0.92 0.16 116.97 121.33 2j46 h TYR 79 Ca 0.16 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 2j46 h TYR 79 Cb 0.58 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 2j46 h TYR 79 CO 0.04 0.14 0.37 1.49 -1.64 0.00 0.00 178.16 178.57 2j46 h GLU 80 N 0.28 1.14 -0.37 1.82 4.57 -1.24 -0.97 114.58 119.82 2j46 h GLU 80 Ca 0.10 -0.17 -0.14 0.00 -1.18 0.00 0.00 59.36 57.97 2j46 h GLU 80 Cb 0.01 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.39 2j46 h GLU 80 CO -0.06 0.89 -0.32 0.00 -1.18 0.00 0.00 179.01 178.35 2j46 h ALA 81 N 1.19 0.75 -0.34 2.92 0.00 -0.89 -1.41 119.26 121.48 2j46 h ALA 81 Ca 0.27 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2j46 h ALA 81 Cb 0.13 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2j46 h ALA 81 CO -0.03 0.66 0.15 -0.07 0.00 0.00 0.00 179.25 179.95 2j46 h LEU 82 N 0.68 0.47 -0.00 0.00 3.38 -0.75 0.19 115.31 119.28 2j46 h LEU 82 Ca 0.07 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.92 2j46 h LEU 82 Cb 0.86 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 2j46 h LEU 82 CO 0.08 0.49 -0.25 0.50 0.09 0.00 0.00 178.44 179.35 2j46 h LYS 83 N 0.41 -0.37 -0.65 1.13 3.64 -0.97 -1.30 116.57 118.47 2j46 h LYS 83 Ca 0.12 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 2j46 h LYS 83 Cb 0.16 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 2j46 h LYS 83 CO -0.01 -0.25 0.39 0.93 -2.27 0.00 0.00 179.45 178.24 2j46 h GLU 84 N -0.38 0.73 -0.99 1.90 5.08 -1.13 -0.35 114.58 119.44 2j46 h GLU 84 Ca 0.06 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.45 2j46 h GLU 84 Cb 0.47 -0.17 -0.07 0.00 0.50 0.00 0.00 28.75 29.48 2j46 h GLU 84 CO -0.22 0.48 0.64 0.00 -1.00 0.00 0.00 179.01 178.91 2j46 h ALA 85 N 1.30 1.44 -0.00 3.43 0.00 -0.61 -2.13 119.26 122.69 2j46 h ALA 85 Ca 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2j46 h ALA 85 Cb 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2j46 h ALA 85 CO -0.12 0.39 -0.07 1.28 0.00 0.00 0.00 179.25 180.73 2j46 n LEU 86 N -4.52 0.22 0.00 0.00 4.77 -0.52 -4.20 117.00 112.75 2j46 n LEU 86 Ca 0.16 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 2j46 n LEU 86 Cb 0.22 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2j46 n LEU 86 CO 0.31 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2j46 n GLY 87 N 1.30 0.72 7.00 -0.72 0.00 -0.80 -4.73 105.19 107.96 2j46 n GLY 87 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2j46 n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j46 n GLY 88 N 0.00 1.99 3.80 -0.02 0.00 -0.22 -4.79 105.19 105.94 2j46 n GLY 88 Ca 0.00 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 2j46 n GLY 88 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2j46 s GLU 89 N 0.00 4.43 0.39 1.61 2.12 -1.26 -4.33 118.70 121.66 2j46 s GLU 89 Ca 0.00 1.25 -0.27 0.00 0.36 0.00 0.00 54.97 56.30 2j46 s GLU 89 Cb 0.00 -2.54 -0.10 0.00 0.26 0.00 0.00 34.13 31.75 2j46 s GLU 89 CO 0.00 0.14 1.43 0.00 -0.54 0.00 0.00 175.26 176.29 2j46 s ALA 90 N -1.85 3.47 0.03 6.30 0.00 -1.26 -4.86 121.76 123.58 2j46 s ALA 90 Ca 0.55 1.48 0.02 0.00 0.00 0.00 0.00 51.96 54.01 2j46 s ALA 90 Cb -0.15 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.38 2j46 s ALA 90 CO 0.19 -1.01 -0.07 1.03 0.00 0.00 0.00 175.76 175.91 2j46 s ARG 91 N -2.14 0.51 0.11 0.00 0.52 -1.26 -5.09 118.95 111.59 2j46 s ARG 91 Ca 0.54 -0.57 0.02 0.00 -0.52 0.00 0.00 55.73 55.20 2j46 s ARG 91 Cb -0.44 -0.35 -0.04 0.00 0.52 0.00 0.00 34.95 34.63 2j46 s ARG 91 CO 0.59 0.08 -0.07 -0.51 0.02 0.00 0.00 175.30 175.40 2j46 s LEU 92 N -1.09 2.51 0.55 2.53 1.43 -1.26 -4.38 118.68 118.97 2j46 s LEU 92 Ca -0.06 -0.99 -0.21 0.00 -1.03 0.00 0.00 54.13 51.84 2j46 s LEU 92 Cb -0.07 -0.13 -0.05 0.00 0.03 0.00 0.00 46.19 45.97 2j46 s LEU 92 CO 0.00 -0.43 1.34 -2.16 0.23 0.00 0.00 176.35 175.33 2j46 s PRO 93 N -3.74 3.11 0.05 1.29 0.04 -1.26 -4.94 135.00 129.55 2j46 s PRO 93 Ca 0.12 2.19 -0.31 0.00 0.04 0.00 0.00 61.00 63.05 2j46 s PRO 93 Cb 0.04 -2.22 -0.06 0.00 0.04 0.00 0.00 34.50 32.31 2j46 s PRO 93 CO -0.04 -1.20 1.22 0.08 0.04 0.00 0.00 177.00 177.11 2j46 s VAL 94 N -1.33 4.00 -0.13 -0.36 1.01 -1.26 -5.02 120.40 117.31 2j46 s VAL 94 Ca 0.72 1.43 -0.14 0.00 0.00 0.00 0.00 61.98 63.99 2j46 s VAL 94 Cb -0.39 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 2j46 s VAL 94 CO 0.46 0.10 0.33 -0.76 0.00 0.00 0.00 175.10 175.23 2j46 s LEU 95 N 1.23 4.28 0.00 3.92 1.43 -1.26 -5.06 118.68 123.22 2j46 s LEU 95 Ca 0.59 0.61 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 2j46 s LEU 95 Cb -0.29 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.49 2j46 s LEU 95 CO 0.28 0.12 0.00 2.29 0.23 0.00 0.00 176.35 179.28 2j46 n LYS 96 N 3.32 2.20 -0.23 1.70 0.00 -1.26 -5.04 118.16 118.85 2j46 n LYS 96 Ca -0.12 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.11 2j46 n LYS 96 Cb 0.52 0.00 0.04 0.00 -0.00 0.00 0.00 35.03 35.59 2j46 n LYS 96 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2j46 h ASP 97 N 0.00 1.02 -4.35 -5.58 1.82 -1.98 -3.42 116.42 103.93 2j46 h ASP 97 Ca 0.00 -0.25 -0.46 0.00 -0.39 0.00 0.00 57.03 55.93 2j46 h ASP 97 Cb 0.00 -0.27 -0.24 0.00 0.68 0.00 0.00 39.33 39.50 2j46 h ASP 97 CO 0.00 1.00 -0.80 -0.13 -1.61 0.00 0.00 179.24 177.71 2j46 s ARG 98 N -5.25 0.97 -0.06 0.28 0.52 -1.26 -4.80 118.95 109.33 2j46 s ARG 98 Ca -0.12 -0.87 -0.05 0.00 -0.52 0.00 0.00 55.73 54.17 2j46 s ARG 98 Cb 0.14 -1.01 0.02 0.00 0.52 0.00 0.00 34.95 34.62 2j46 s ARG 98 CO 0.84 0.24 0.16 -0.80 0.02 0.00 0.00 175.30 175.76 2j46 s ASN 99 N -1.38 -0.16 -0.13 0.23 0.01 -1.17 -5.03 114.94 107.31 2j46 s ASN 99 Ca 0.02 0.32 -0.02 0.00 -0.71 0.00 0.00 52.86 52.47 2j46 s ASN 99 Cb -0.09 0.29 0.04 0.00 0.41 0.00 0.00 41.25 41.90 2j46 s ASN 99 CO 0.02 -0.08 0.01 -0.22 -1.51 0.00 0.00 177.10 175.31 2j46 s LEU 100 N 0.43 0.93 -0.01 0.60 0.20 -1.26 -0.73 118.68 118.83 2j46 s LEU 100 Ca -0.03 -0.43 0.08 0.00 0.69 0.00 0.00 54.13 54.44 2j46 s LEU 100 Cb -0.04 -0.56 -0.02 0.00 -0.43 0.00 0.00 46.19 45.14 2j46 s LEU 100 CO -0.02 -0.23 -0.25 0.26 -0.29 0.00 0.00 176.35 175.82 2j46 s TRP 101 N 1.89 2.25 0.10 5.38 0.51 0.22 -0.96 118.94 128.33 2j46 s TRP 101 Ca 0.02 -0.42 -0.10 0.00 -2.12 0.00 0.00 56.10 53.48 2j46 s TRP 101 Cb -0.14 -1.43 -0.06 0.00 -0.81 0.00 0.00 33.47 31.02 2j46 s TRP 101 CO -0.07 -0.02 0.42 -0.06 -0.51 0.00 0.00 176.95 176.72 2j46 s PHE 102 N -0.62 3.57 -0.20 -1.98 0.40 -0.41 -0.75 117.98 117.99 2j46 s PHE 102 Ca 0.10 0.81 -0.06 0.00 -0.60 0.00 0.00 56.93 57.18 2j46 s PHE 102 Cb -0.10 -2.18 -0.03 0.00 0.51 0.00 0.00 43.02 41.22 2j46 s PHE 102 CO -0.01 0.49 0.03 -0.51 0.70 0.00 0.00 175.22 175.92 2j46 s LEU 103 N -2.01 3.47 0.17 -0.37 1.43 0.45 -0.63 118.68 121.19 2j46 s LEU 103 Ca 0.35 -0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.41 2j46 s LEU 103 Cb -0.14 -1.88 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 2j46 s LEU 103 CO 0.19 0.10 -0.13 0.68 0.23 0.00 0.00 176.35 177.42 2j46 s VAL 104 N 0.79 1.47 0.00 -1.59 -7.23 -0.17 -2.11 120.40 111.56 2j46 s VAL 104 Ca 0.02 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 2j46 s VAL 104 Cb -0.14 -1.91 0.00 0.00 0.56 0.00 0.00 36.38 34.90 2j46 s VAL 104 CO 0.02 -0.63 0.00 0.61 -0.31 0.00 0.00 175.10 174.79 2j46 n GLY 105 N -0.19 1.29 3.81 2.32 0.00 -1.26 -1.01 105.19 110.15 2j46 n GLY 105 Ca -0.10 -1.63 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 2j46 n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2j46 s LEU 106 N 0.00 3.81 0.22 0.99 1.43 -1.26 -4.38 118.68 119.49 2j46 s LEU 106 Ca 0.00 1.80 -0.31 0.00 -1.03 0.00 0.00 54.13 54.59 2j46 s LEU 106 Cb 0.00 -4.54 -0.11 0.00 0.03 0.00 0.00 46.19 41.57 2j46 s LEU 106 CO 0.00 -0.67 1.60 -1.58 0.23 0.00 0.00 176.35 175.93 2j46 s GLN 107 N -3.41 4.17 0.00 1.70 0.74 -0.11 -1.98 119.66 120.78 2j46 s GLN 107 Ca 0.64 2.48 0.00 0.00 0.05 0.00 0.00 55.36 58.53 2j46 s GLN 107 Cb -0.13 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 30.89 2j46 s GLN 107 CO 0.21 -0.63 0.00 0.41 -0.55 0.00 0.00 175.29 174.73 2j46 n GLY 108 N 3.17 2.77 0.08 2.59 0.00 -1.26 -4.59 105.19 107.95 2j46 n GLY 108 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.22 2j46 n GLY 108 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2j46 n SER 109 N 0.00 0.34 0.00 1.61 3.41 -0.83 -4.87 113.62 113.28 2j46 n SER 109 Ca 0.00 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 2j46 n SER 109 Cb 0.00 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 2j46 n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2j46 n GLY 110 N -0.47 0.52 0.11 5.00 0.00 -1.26 -4.13 105.19 104.96 2j46 n GLY 110 Ca 0.02 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 2j46 n GLY 110 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2j46 h LYS 111 N 0.74 0.01 -0.30 1.61 3.64 -1.90 0.29 116.57 120.66 2j46 h LYS 111 Ca 0.00 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2j46 h LYS 111 Cb 0.00 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2j46 h LYS 111 CO 0.00 0.00 -0.05 1.15 -2.27 0.00 0.00 179.45 178.28 2j46 h THR 112 N 0.01 1.27 -0.54 1.00 2.02 -1.94 -0.65 112.91 114.08 2j46 h THR 112 Ca 0.10 -1.06 0.04 0.00 0.77 0.00 0.00 66.41 66.26 2j46 h THR 112 Cb 0.15 1.35 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 2j46 h THR 112 CO -0.21 0.34 0.30 0.74 0.37 0.00 0.00 175.52 177.06 2j46 h THR 113 N 0.35 1.00 -0.89 3.16 2.02 -1.96 -2.47 112.91 114.11 2j46 h THR 113 Ca 0.08 -0.20 0.07 0.00 0.77 0.00 0.00 66.41 67.12 2j46 h THR 113 Cb 0.52 0.37 -0.06 0.00 -1.74 0.00 0.00 68.15 67.24 2j46 h THR 113 CO 0.03 0.11 0.56 0.74 0.37 0.00 0.00 175.52 177.32 2j46 h THR 114 N 0.58 1.04 -0.38 3.16 2.02 -0.66 -0.96 112.91 117.73 2j46 h THR 114 Ca 0.23 -0.35 0.04 0.00 0.77 0.00 0.00 66.41 67.10 2j46 h THR 114 Cb 0.09 -0.06 -0.04 0.00 -1.74 0.00 0.00 68.15 66.41 2j46 h THR 114 CO -0.13 0.18 0.15 0.00 0.37 0.00 0.00 175.52 176.10 2j46 h ALA 115 N 1.42 0.45 -0.46 6.16 0.00 -0.66 0.13 119.26 126.30 2j46 h ALA 115 Ca 0.39 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.29 2j46 h ALA 115 Cb 0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2j46 h ALA 115 CO -0.18 -0.23 0.12 0.00 0.00 0.00 0.00 179.25 178.96 2j46 h ALA 116 N 1.23 0.61 -0.52 0.00 0.00 -1.20 -1.36 119.26 118.01 2j46 h ALA 116 Ca 0.17 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2j46 h ALA 116 Cb 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2j46 h ALA 116 CO -0.15 0.29 0.04 0.87 0.00 0.00 0.00 179.25 180.30 2j46 h LYS 117 N 0.62 0.86 -0.46 0.00 1.57 -0.78 -1.36 116.57 117.01 2j46 h LYS 117 Ca 0.15 -0.22 -0.12 0.00 -1.87 0.00 0.00 60.65 58.59 2j46 h LYS 117 Cb 0.31 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 2j46 h LYS 117 CO 0.00 0.83 -0.17 1.25 -0.57 0.00 0.00 179.45 180.79 2j46 h LEU 118 N 0.80 0.90 -0.30 2.94 5.85 -0.59 -0.31 115.31 124.60 2j46 h LEU 118 Ca 0.16 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 2j46 h LEU 118 Cb 0.43 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2j46 h LEU 118 CO 0.02 1.06 0.14 0.00 -0.34 0.00 0.00 178.44 179.31 2j46 h ALA 119 N 1.01 0.39 -0.53 1.25 0.00 -0.93 -1.95 119.26 118.50 2j46 h ALA 119 Ca 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2j46 h ALA 119 Cb 0.71 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2j46 h ALA 119 CO 0.05 -0.04 0.29 1.25 0.00 0.00 0.00 179.25 180.80 2j46 h LEU 120 N 0.35 0.67 -0.19 0.00 5.85 -1.02 -0.15 115.31 120.83 2j46 h LEU 120 Ca 0.10 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.77 2j46 h LEU 120 Cb 0.14 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 2j46 h LEU 120 CO -0.01 0.58 -0.10 0.22 -0.34 0.00 0.00 178.44 178.79 2j46 h TYR 121 N 0.72 -0.24 -0.11 1.25 3.20 -0.94 -1.64 116.97 119.21 2j46 h TYR 121 Ca 0.19 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.94 2j46 h TYR 121 Cb 0.06 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 2j46 h TYR 121 CO -0.01 -0.16 -0.54 1.88 -1.64 0.00 0.00 178.16 177.68 2j46 h TYR 122 N -0.09 0.39 -0.82 -3.82 0.05 -1.22 -2.59 116.97 108.88 2j46 h TYR 122 Ca 0.11 -0.14 0.00 0.00 0.05 0.00 0.00 58.73 58.75 2j46 h TYR 122 Cb 0.25 -0.08 -0.04 0.00 1.01 0.00 0.00 36.73 37.87 2j46 h TYR 122 CO -0.26 0.79 0.53 -0.22 -1.05 0.00 0.00 178.16 177.95 2j46 h LYS 123 N 0.24 1.10 0.00 4.88 3.64 -0.76 -0.63 116.57 125.04 2j46 h LYS 123 Ca 0.00 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 2j46 h LYS 123 Cb 1.03 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.61 2j46 h LYS 123 CO 0.09 0.74 -0.03 0.78 -2.27 0.00 0.00 179.45 178.76 2j46 h GLY 124 N 1.12 0.00 -1.55 5.01 0.00 -0.98 -1.11 103.07 105.57 2j46 h GLY 124 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2j46 h GLY 124 CO -0.06 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.76 2j46 n LYS 125 N -3.23 1.99 -0.52 4.80 4.76 -0.70 -4.94 118.16 120.33 2j46 n LYS 125 Ca -0.01 -1.53 0.00 0.00 -2.87 0.00 0.00 58.31 53.89 2j46 n LYS 125 Cb 0.20 -1.34 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 2j46 n LYS 125 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2j46 n GLY 126 N 1.19 0.74 3.91 0.72 0.00 -0.42 -5.06 105.19 106.27 2j46 n GLY 126 Ca 0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 2j46 n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2j46 s ARG 127 N -0.48 2.22 -0.58 1.61 1.81 -0.33 -5.00 118.95 118.20 2j46 s ARG 127 Ca 0.00 0.07 0.04 0.00 -1.72 0.00 0.00 55.73 54.12 2j46 s ARG 127 Cb 0.00 -2.04 0.15 0.00 -0.45 0.00 0.00 34.95 32.61 2j46 s ARG 127 CO 0.00 -1.37 0.35 1.03 -0.68 0.00 0.00 175.30 174.63 2j46 s ARG 128 N -5.43 2.07 0.62 3.54 0.52 -1.26 -4.29 118.95 114.72 2j46 s ARG 128 Ca 0.60 -2.83 -0.08 0.00 -0.52 0.00 0.00 55.73 52.90 2j46 s ARG 128 Cb -0.11 -3.21 0.00 0.00 0.52 0.00 0.00 34.95 32.16 2j46 s ARG 128 CO 0.48 -1.19 0.96 -1.25 0.02 0.00 0.00 175.30 174.32 2j46 s PRO 129 N -0.67 3.01 -0.06 3.54 0.04 -1.26 -1.10 135.00 138.49 2j46 s PRO 129 Ca 0.21 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.47 2j46 s PRO 129 Cb -0.17 -2.19 0.02 0.00 0.04 0.00 0.00 34.50 32.21 2j46 s PRO 129 CO -0.07 -0.75 -0.03 -1.17 0.04 0.00 0.00 177.00 175.01 2j46 s LEU 130 N -5.10 1.08 0.08 -3.56 2.96 0.29 -4.39 118.68 110.04 2j46 s LEU 130 Ca 0.55 -0.13 -0.20 0.00 -0.22 0.00 0.00 54.13 54.12 2j46 s LEU 130 Cb -0.11 -0.48 -0.07 0.00 0.50 0.00 0.00 46.19 46.04 2j46 s LEU 130 CO 0.48 -0.10 0.61 -0.76 -1.32 0.00 0.00 176.35 175.25 2j46 s LEU 131 N 1.31 4.53 -0.19 -0.68 1.43 -0.35 -0.73 118.68 124.01 2j46 s LEU 131 Ca -0.05 1.32 0.01 0.00 -1.03 0.00 0.00 54.13 54.39 2j46 s LEU 131 Cb -0.14 -2.97 0.03 0.00 0.03 0.00 0.00 46.19 43.15 2j46 s LEU 131 CO -0.02 0.25 -0.17 -0.69 0.23 0.00 0.00 176.35 175.95 2j46 s VAL 132 N -1.07 2.00 -0.72 -1.59 1.01 0.03 -0.58 120.40 119.48 2j46 s VAL 132 Ca 0.30 -1.02 -0.21 0.00 0.00 0.00 0.00 61.98 61.05 2j46 s VAL 132 Cb -0.20 -1.87 0.09 0.00 0.00 0.00 0.00 36.38 34.39 2j46 s VAL 132 CO 0.20 0.42 0.99 0.00 0.00 0.00 0.00 175.10 176.71 2j46 s ALA 133 N 1.29 3.19 -1.16 5.51 0.00 0.19 -0.77 121.76 130.00 2j46 s ALA 133 Ca 0.02 -2.08 0.18 0.00 0.00 0.00 0.00 51.96 50.09 2j46 s ALA 133 Cb -0.14 -3.88 0.68 0.00 0.00 0.00 0.00 23.12 19.77 2j46 s ALA 133 CO -0.11 -2.80 1.59 0.00 0.00 0.00 0.00 175.76 174.44 2j46 n ALA 134 N 7.37 2.94 -2.43 0.00 0.00 -0.61 -1.75 120.51 126.02 2j46 n ALA 134 Ca 0.02 -1.58 -0.42 0.00 0.00 0.00 0.00 53.44 51.46 2j46 n ALA 134 Cb 0.46 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 18.94 2j46 n ALA 134 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2j46 s ASP 135 N -0.98 6.32 0.00 0.00 -1.08 -1.26 -4.56 116.67 115.11 2j46 s ASP 135 Ca 0.49 0.50 0.30 0.00 -0.52 0.00 0.00 52.55 53.32 2j46 s ASP 135 Cb 0.31 -2.55 1.60 0.00 -1.46 0.00 0.00 42.92 40.82 2j46 s ASP 135 CO 0.24 -1.50 2.05 0.35 0.52 0.00 0.00 175.17 176.83 2j46 n THR 136 N 6.93 0.01 -0.02 1.71 -2.24 -1.26 -3.87 114.28 115.53 2j46 n THR 136 Ca 0.14 -0.08 -0.01 0.00 -2.27 0.00 0.00 64.05 61.83 2j46 n THR 136 Cb 0.49 -0.20 -0.06 0.00 -2.10 0.00 0.00 70.33 68.46 2j46 n THR 136 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2j46 n GLN 137 N -0.64 1.84 -3.92 -0.78 6.02 -1.26 -1.13 117.38 117.52 2j46 n GLN 137 Ca 0.22 -0.03 -0.31 0.00 -0.01 0.00 0.00 57.00 56.87 2j46 n GLN 137 Cb 0.18 -1.18 -0.15 0.00 1.02 0.00 0.00 30.24 30.11 2j46 n GLN 137 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2j46 s ARG 138 N -2.30 1.28 0.39 -1.09 0.52 -1.25 -4.98 118.95 111.51 2j46 s ARG 138 Ca -0.03 -1.70 0.10 0.00 -0.52 0.00 0.00 55.73 53.58 2j46 s ARG 138 Cb 0.03 -2.81 0.89 0.00 0.52 0.00 0.00 34.95 33.58 2j46 s ARG 138 CO 0.29 -0.98 1.94 -1.35 0.02 0.00 0.00 175.30 175.22 2j46 h PRO 139 N 7.63 0.58 -0.37 3.54 0.11 -1.94 -1.64 132.00 139.91 2j46 h PRO 139 Ca -0.07 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.96 2j46 h PRO 139 Cb 1.00 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 2j46 h PRO 139 CO 0.52 0.38 0.04 0.00 -0.21 0.00 0.00 178.00 178.73 2j46 h ALA 140 N 1.63 1.40 -0.61 -0.75 0.00 -1.97 -0.75 119.26 118.21 2j46 h ALA 140 Ca 0.35 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2j46 h ALA 140 Cb 0.55 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2j46 h ALA 140 CO -0.12 0.43 0.04 0.00 0.00 0.00 0.00 179.25 179.60 2j46 h ALA 141 N 1.52 0.92 -0.29 0.00 0.00 -1.69 -1.34 119.26 118.38 2j46 h ALA 141 Ca 0.12 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 2j46 h ALA 141 Cb 0.28 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2j46 h ALA 141 CO 0.00 0.65 -0.30 0.00 0.00 0.00 0.00 179.25 179.61 2j46 h ARG 142 N 0.96 0.72 -0.42 0.00 3.08 -1.31 -3.07 114.38 114.33 2j46 h ARG 142 Ca 0.18 -0.38 -0.05 0.00 0.07 0.00 0.00 59.98 59.80 2j46 h ARG 142 Cb 0.49 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 2j46 h ARG 142 CO 0.02 1.00 0.04 0.93 -1.07 0.00 0.00 179.97 180.89 2j46 h GLU 143 N 0.47 0.66 -0.42 0.04 5.08 -1.02 -1.15 114.58 118.24 2j46 h GLU 143 Ca 0.05 -0.14 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2j46 h GLU 143 Cb 0.87 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 2j46 h GLU 143 CO 0.07 0.65 0.17 0.37 -1.00 0.00 0.00 179.01 179.27 2j46 h GLN 144 N 0.63 0.34 -0.42 2.33 4.15 -1.17 -1.52 115.11 119.45 2j46 h GLN 144 Ca 0.13 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.42 2j46 h GLN 144 Cb 0.34 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 2j46 h GLN 144 CO 0.01 0.23 -0.21 1.25 -1.93 0.00 0.00 178.83 178.18 2j46 h LEU 145 N 0.35 0.84 -0.60 -2.39 5.85 -1.35 -2.00 115.31 116.01 2j46 h LEU 145 Ca 0.19 -0.30 0.09 0.00 0.84 0.00 0.00 57.88 58.70 2j46 h LEU 145 Cb 0.15 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 40.88 2j46 h LEU 145 CO -0.17 1.02 0.22 -0.09 -0.34 0.00 0.00 178.44 179.08 2j46 h ARG 146 N 0.72 0.39 -0.21 1.25 2.43 -0.64 0.60 114.38 118.92 2j46 h ARG 146 Ca 0.10 -0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 59.05 2j46 h ARG 146 Cb 0.73 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 2j46 h ARG 146 CO 0.06 0.26 -0.66 -0.07 -1.51 0.00 0.00 179.97 178.04 2j46 h LEU 147 N 0.40 0.90 -0.70 3.80 3.38 -1.13 -2.45 115.31 119.50 2j46 h LEU 147 Ca 0.30 -0.53 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 2j46 h LEU 147 Cb 0.38 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2j46 h LEU 147 CO -0.31 1.32 -0.04 -0.07 0.09 0.00 0.00 178.44 179.44 2j46 h LEU 148 N 0.57 0.94 -0.88 1.67 3.38 -1.00 -2.08 115.31 117.91 2j46 h LEU 148 Ca -0.02 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 2j46 h LEU 148 Cb 1.27 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 2j46 h LEU 148 CO 0.14 1.02 0.35 1.23 0.09 0.00 0.00 178.44 181.26 2j46 h GLY 149 N 0.98 1.24 1.01 0.83 0.00 -0.86 -1.28 103.07 104.99 2j46 h GLY 149 Ca 0.15 -0.64 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 2j46 h GLY 149 CO 0.03 0.61 0.44 -2.09 0.00 0.00 0.00 176.54 175.53 2j46 h GLU 150 N 1.14 1.04 -0.33 4.80 4.81 -1.17 0.31 114.58 125.17 2j46 h GLU 150 Ca 0.27 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.31 2j46 h GLU 150 Cb 0.17 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 2j46 h GLU 150 CO -0.03 0.75 -0.14 0.87 -0.73 0.00 0.00 179.01 179.73 2j46 h LYS 151 N 1.04 0.58 -0.07 1.92 1.57 -0.70 -2.75 116.57 118.15 2j46 h LYS 151 Ca 0.27 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2j46 h LYS 151 Cb -0.00 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2j46 h LYS 151 CO -0.05 0.70 0.00 1.33 -0.57 0.00 0.00 179.45 180.86 2j46 n VAL 152 N -4.18 0.07 -2.86 0.50 0.24 -0.55 -4.98 118.33 106.57 2j46 n VAL 152 Ca 0.01 -0.42 -0.12 0.00 -2.04 0.00 0.00 64.34 61.76 2j46 n VAL 152 Cb 0.35 1.00 0.03 0.00 -1.47 0.00 0.00 33.84 33.75 2j46 n VAL 152 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2j46 n GLY 153 N 1.29 0.12 3.17 7.63 0.00 -0.03 -4.87 105.19 112.50 2j46 n GLY 153 Ca 0.16 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 2j46 n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j46 s VAL 154 N -3.02 1.62 0.63 1.61 1.01 -0.45 -5.03 120.40 116.77 2j46 s VAL 154 Ca 0.23 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 61.22 2j46 s VAL 154 Cb -0.10 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 2j46 s VAL 154 CO 0.29 0.46 1.17 -2.16 0.00 0.00 0.00 175.10 174.86 2j46 s PRO 155 N -0.01 2.79 -0.06 2.72 0.04 -1.26 -4.25 135.00 134.97 2j46 s PRO 155 Ca -0.04 1.67 0.02 0.00 0.04 0.00 0.00 61.00 62.69 2j46 s PRO 155 Cb -0.12 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.51 2j46 s PRO 155 CO 0.03 -1.31 -0.09 0.08 0.04 0.00 0.00 177.00 175.75 2j46 s VAL 156 N -1.90 0.90 -0.26 -0.36 1.01 -1.26 -1.21 120.40 117.33 2j46 s VAL 156 Ca 0.73 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 62.29 2j46 s VAL 156 Cb -0.27 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 2j46 s VAL 156 CO 0.37 0.31 0.13 -0.22 0.00 0.00 0.00 175.10 175.69 2j46 s LEU 157 N 0.83 3.74 -0.27 3.92 1.98 0.25 -4.99 118.68 124.14 2j46 s LEU 157 Ca -0.12 -0.10 -0.10 0.00 -2.89 0.00 0.00 54.13 50.92 2j46 s LEU 157 Cb -0.15 -2.02 -0.05 0.00 0.66 0.00 0.00 46.19 44.63 2j46 s LEU 157 CO 0.02 -0.04 0.17 -1.61 -1.89 0.00 0.00 176.35 173.00 2j46 s GLU 158 N 1.65 3.95 0.83 1.98 2.02 -1.26 -0.64 118.70 127.23 2j46 s GLU 158 Ca 0.07 -0.32 -0.10 0.00 0.02 0.00 0.00 54.97 54.63 2j46 s GLU 158 Cb -0.15 -3.60 0.09 0.00 0.10 0.00 0.00 34.13 30.57 2j46 s GLU 158 CO 0.07 -0.12 1.11 0.14 0.02 0.00 0.00 175.26 176.48 2j46 s VAL 159 N 1.57 2.85 0.35 2.63 -7.23 -0.72 -4.98 120.40 114.88 2j46 s VAL 159 Ca 0.07 0.28 -0.02 0.00 -1.81 0.00 0.00 61.98 60.49 2j46 s VAL 159 Cb -0.15 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 2j46 s VAL 159 CO 0.09 -0.36 0.59 -0.04 -0.31 0.00 0.00 175.10 175.07 2j46 s MET 160 N -4.81 3.54 0.14 4.82 1.00 -1.26 -4.96 119.30 117.77 2j46 s MET 160 Ca 0.63 -0.14 -0.34 0.00 0.00 0.00 0.00 55.69 55.85 2j46 s MET 160 Cb -0.19 -2.61 -0.13 0.00 0.00 0.00 0.00 34.83 31.90 2j46 s MET 160 CO 0.57 0.11 1.64 -0.25 0.00 0.00 0.00 175.02 177.09 2j46 n ASP 161 N -1.59 3.28 -0.76 3.03 8.00 -1.26 -1.49 116.55 125.76 2j46 n ASP 161 Ca -0.03 1.06 -0.10 0.00 0.71 0.00 0.00 54.79 56.43 2j46 n ASP 161 Cb 0.55 -1.44 -0.04 0.00 -0.02 0.00 0.00 41.12 40.17 2j46 n ASP 161 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2j46 n GLY 162 N 3.62 1.08 3.76 0.44 0.00 -0.28 -4.96 105.19 108.85 2j46 n GLY 162 Ca 0.17 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 2j46 n GLY 162 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2j46 s GLU 163 N -2.65 4.29 0.63 1.61 2.12 -0.55 -4.97 118.70 119.17 2j46 s GLU 163 Ca 0.00 2.30 -0.16 0.00 0.36 0.00 0.00 54.97 57.47 2j46 s GLU 163 Cb 0.00 -3.07 -0.01 0.00 0.26 0.00 0.00 34.13 31.31 2j46 s GLU 163 CO 0.00 -0.32 1.10 -1.54 -0.54 0.00 0.00 175.26 173.96 2j46 s SER 164 N -0.15 5.33 0.35 -1.70 1.04 -1.26 -4.86 113.70 112.45 2j46 s SER 164 Ca 0.53 1.97 0.03 0.00 0.48 0.00 0.00 55.95 58.96 2j46 s SER 164 Cb -0.41 -2.55 0.66 0.00 0.10 0.00 0.00 66.02 63.82 2j46 s SER 164 CO 0.51 -1.48 1.98 -0.65 0.98 0.00 0.00 173.24 174.58 2j46 h PRO 165 N 0.23 0.82 -0.63 4.02 0.11 -1.97 -1.02 132.00 133.56 2j46 h PRO 165 Ca -0.47 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 2j46 h PRO 165 Cb 1.24 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 2j46 h PRO 165 CO 0.55 0.54 0.16 0.93 -0.21 0.00 0.00 178.00 179.97 2j46 h GLU 166 N 0.84 1.01 -0.55 1.05 3.07 -1.96 -0.63 114.58 117.41 2j46 h GLU 166 Ca 0.28 -0.24 -0.06 0.00 -0.50 0.00 0.00 59.36 58.84 2j46 h GLU 166 Cb 0.06 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 2j46 h GLU 166 CO -0.08 0.91 0.12 1.03 -1.40 0.00 0.00 179.01 179.59 2j46 h SER 167 N 0.93 0.84 -0.39 1.42 0.87 -1.78 -1.84 113.55 113.59 2j46 h SER 167 Ca 0.20 -0.24 0.03 0.00 -1.23 0.00 0.00 61.79 60.55 2j46 h SER 167 Cb 0.34 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 2j46 h SER 167 CO 0.00 0.87 0.20 0.40 -0.53 0.00 0.00 176.83 177.76 2j46 h ILE 168 N 0.78 0.98 -0.56 2.23 2.04 -0.94 -1.57 117.51 120.47 2j46 h ILE 168 Ca 0.17 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 65.93 2j46 h ILE 168 Cb 0.36 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 2j46 h ILE 168 CO 0.00 0.07 0.32 -0.09 0.00 0.00 0.00 178.15 178.45 2j46 h ARG 169 N 0.40 0.60 -0.24 2.37 2.43 -0.93 -0.32 114.38 118.68 2j46 h ARG 169 Ca 0.16 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.31 2j46 h ARG 169 Cb 0.07 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 2j46 h ARG 169 CO -0.11 0.40 0.14 -0.09 -1.51 0.00 0.00 179.97 178.80 2j46 h ARG 170 N 0.62 0.29 -0.38 0.20 2.43 -0.90 -1.10 114.38 115.54 2j46 h ARG 170 Ca 0.23 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 59.23 2j46 h ARG 170 Cb 0.08 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2j46 h ARG 170 CO -0.13 0.19 -0.37 0.00 -1.51 0.00 0.00 179.97 178.16 2j46 h ARG 171 N 0.30 0.89 -0.40 0.20 3.08 -0.95 -1.58 114.38 115.93 2j46 h ARG 171 Ca 0.09 -0.46 -0.01 0.00 0.07 0.00 0.00 59.98 59.68 2j46 h ARG 171 Cb -0.01 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2j46 h ARG 171 CO -0.04 1.11 0.21 0.28 -1.07 0.00 0.00 179.97 180.46 2j46 h VAL 172 N 0.74 1.16 -0.56 2.04 2.07 -0.95 -1.72 116.25 119.02 2j46 h VAL 172 Ca 0.07 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 2j46 h VAL 172 Cb 0.95 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 2j46 h VAL 172 CO 0.09 0.16 0.34 -0.33 0.02 0.00 0.00 177.57 177.85 2j46 h GLU 173 N 0.51 0.76 -0.15 1.57 5.08 -1.08 -0.34 114.58 120.93 2j46 h GLU 173 Ca 0.14 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2j46 h GLU 173 Cb 0.07 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2j46 h GLU 173 CO -0.02 0.55 0.07 1.49 -1.00 0.00 0.00 179.01 180.10 2j46 h GLU 174 N 0.75 0.22 -0.46 2.33 4.81 -1.18 -1.50 114.58 119.55 2j46 h GLU 174 Ca 0.20 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.34 2j46 h GLU 174 Cb -0.01 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 2j46 h GLU 174 CO -0.04 0.28 0.09 -0.22 -0.73 0.00 0.00 179.01 178.40 2j46 h LYS 175 N 0.10 0.76 -0.62 1.92 3.64 -1.14 -1.20 116.57 120.03 2j46 h LYS 175 Ca 0.05 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.22 2j46 h LYS 175 Cb 0.14 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 2j46 h LYS 175 CO -0.01 0.76 0.32 0.00 -2.27 0.00 0.00 179.45 178.26 2j46 h ALA 176 N 0.96 1.39 -0.00 5.00 0.00 -0.96 -1.18 119.26 124.46 2j46 h ALA 176 Ca 0.14 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2j46 h ALA 176 Cb 0.36 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2j46 h ALA 176 CO 0.01 0.49 -0.00 -0.09 0.00 0.00 0.00 179.25 179.65 2j46 h ARG 177 N 0.87 0.01 -0.13 0.00 2.43 -0.95 -0.13 114.38 116.48 2j46 h ARG 177 Ca 0.22 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 2j46 h ARG 177 Cb 0.06 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2j46 h ARG 177 CO -0.03 0.43 -0.07 -0.07 -1.51 0.00 0.00 179.97 178.71 2j46 h LEU 178 N -0.41 0.17 -2.54 3.80 3.38 -1.01 -2.83 115.31 115.87 2j46 h LEU 178 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2j46 h LEU 178 Cb 0.43 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2j46 h LEU 178 CO 0.00 0.27 0.00 -0.62 0.09 0.00 0.00 178.44 178.18 2j46 n GLU 179 N -4.35 2.48 -3.92 1.13 1.02 -0.47 -4.98 120.64 111.55 2j46 n GLU 179 Ca -0.01 -2.19 -0.28 0.00 -0.02 0.00 0.00 57.16 54.66 2j46 n GLU 179 Cb 0.21 -1.41 0.01 0.00 -0.02 0.00 0.00 31.44 30.22 2j46 n GLU 179 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2j46 n ALA 180 N 1.11 -1.65 -1.76 0.62 0.00 -0.53 -4.93 120.51 113.36 2j46 n ALA 180 Ca 0.17 -0.04 -0.39 0.00 0.00 0.00 0.00 53.44 53.17 2j46 n ALA 180 Cb 0.51 -2.93 -0.06 0.00 0.00 0.00 0.00 19.45 16.98 2j46 n ALA 180 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2j46 s ARG 181 N -6.49 4.73 0.00 0.00 1.81 -0.17 -4.84 118.95 113.99 2j46 s ARG 181 Ca 0.34 1.51 0.00 0.00 -1.72 0.00 0.00 55.73 55.86 2j46 s ARG 181 Cb -0.18 -3.13 0.00 0.00 -0.45 0.00 0.00 34.95 31.20 2j46 s ARG 181 CO 0.86 0.39 0.65 -0.40 -0.68 0.00 0.00 175.30 176.11 2j46 n ASP 182 N 1.17 1.18 -3.47 0.23 5.68 -0.26 -4.86 116.55 116.21 2j46 n ASP 182 Ca -0.01 -1.41 -0.14 0.00 -0.50 0.00 0.00 54.79 52.73 2j46 n ASP 182 Cb 0.47 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.34 2j46 n ASP 182 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2j46 s LEU 183 N -0.41 -0.32 -0.24 -2.12 2.96 -1.18 -3.03 118.68 114.34 2j46 s LEU 183 Ca 0.00 0.06 -0.07 0.00 -0.22 0.00 0.00 54.13 53.90 2j46 s LEU 183 Cb 0.00 0.69 -0.03 0.00 0.50 0.00 0.00 46.19 47.35 2j46 s LEU 183 CO 0.00 -0.30 0.05 -0.63 -1.32 0.00 0.00 176.35 174.15 2j46 s ILE 184 N 2.42 4.21 -0.35 6.68 1.01 0.09 -0.55 121.20 134.71 2j46 s ILE 184 Ca 0.08 -0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.48 2j46 s ILE 184 Cb -0.15 -2.95 0.06 0.00 0.01 0.00 0.00 42.46 39.43 2j46 s ILE 184 CO -0.13 0.36 0.10 -0.76 0.00 0.00 0.00 174.94 174.51 2j46 s LEU 185 N 1.47 4.43 -0.46 2.97 1.43 0.10 -0.61 118.68 128.00 2j46 s LEU 185 Ca 0.06 -1.43 -0.18 0.00 -1.03 0.00 0.00 54.13 51.55 2j46 s LEU 185 Cb -0.15 -1.81 0.05 0.00 0.03 0.00 0.00 46.19 44.31 2j46 s LEU 185 CO 0.03 -0.37 0.51 -0.69 0.23 0.00 0.00 176.35 176.06 2j46 s VAL 186 N 1.28 5.02 -0.72 -1.59 1.01 0.07 -0.79 120.40 124.68 2j46 s VAL 186 Ca -0.00 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.22 2j46 s VAL 186 Cb -0.21 -4.17 0.06 0.00 0.00 0.00 0.00 36.38 32.06 2j46 s VAL 186 CO -0.00 -0.61 1.12 -0.62 0.00 0.00 0.00 175.10 174.98 2j46 s ASP 187 N 2.31 6.20 0.84 3.32 2.15 0.05 -0.41 116.67 131.13 2j46 s ASP 187 Ca 0.12 -0.85 -0.12 0.00 0.43 0.00 0.00 52.55 52.13 2j46 s ASP 187 Cb -0.19 -2.48 0.10 0.00 -0.30 0.00 0.00 42.92 40.05 2j46 s ASP 187 CO 0.12 -1.58 1.19 0.42 -0.17 0.00 0.00 175.17 175.15 2j46 s THR 188 N 4.69 2.00 0.28 1.71 -4.23 -0.90 -1.58 115.64 117.61 2j46 s THR 188 Ca 0.29 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.50 2j46 s THR 188 Cb -0.12 -2.97 -0.10 0.00 1.34 0.00 0.00 72.50 70.64 2j46 s THR 188 CO 0.10 0.00 1.48 0.00 -0.54 0.00 0.00 174.62 175.66 2j46 s ALA 189 N -3.58 3.65 -0.15 3.99 0.00 -1.26 -4.79 121.76 119.62 2j46 s ALA 189 Ca 0.63 1.41 -0.05 0.00 0.00 0.00 0.00 51.96 53.95 2j46 s ALA 189 Cb -0.11 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 2j46 s ALA 189 CO 0.50 -0.83 0.03 0.20 0.00 0.00 0.00 175.76 175.66 2j46 s GLY 190 N 0.31 1.86 0.15 0.00 0.00 -1.26 -4.73 107.32 103.64 2j46 s GLY 190 Ca 0.59 -0.77 0.05 0.00 0.00 0.00 0.00 44.72 44.59 2j46 s GLY 190 CO 0.47 -0.14 -0.10 0.50 0.00 0.00 0.00 173.10 173.82 2j46 s ARG 191 N 0.01 1.07 0.27 2.90 1.81 -1.26 -4.38 118.95 119.37 2j46 s ARG 191 Ca 0.04 -1.46 0.10 0.00 -1.72 0.00 0.00 55.73 52.70 2j46 s ARG 191 Cb -0.13 -0.63 0.36 0.00 -0.45 0.00 0.00 34.95 34.10 2j46 s ARG 191 CO 0.02 0.08 1.61 -0.07 -0.68 0.00 0.00 175.30 176.25 2j46 h LEU 192 N 2.77 0.00 -8.67 2.53 3.38 -1.95 -0.26 115.31 113.12 2j46 h LEU 192 Ca -0.37 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.22 2j46 h LEU 192 Cb 1.19 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.78 2j46 h LEU 192 CO 0.63 0.62 -0.74 -1.10 0.09 0.00 0.00 178.44 177.95 2j46 s GLN 193 N -3.61 1.09 0.17 1.13 -0.21 -1.26 -4.84 119.66 112.12 2j46 s GLN 193 Ca -0.01 -1.38 -0.30 0.00 0.02 0.00 0.00 55.36 53.68 2j46 s GLN 193 Cb 0.13 -0.82 -0.08 0.00 1.00 0.00 0.00 33.01 33.23 2j46 s GLN 193 CO 0.76 0.13 1.34 0.42 -2.12 0.00 0.00 175.29 175.82 2j46 s ILE 194 N -2.75 3.25 0.15 1.08 1.01 -1.26 -5.04 121.20 117.63 2j46 s ILE 194 Ca 0.14 0.98 0.01 0.00 0.00 0.00 0.00 60.65 61.78 2j46 s ILE 194 Cb -0.01 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 2j46 s ILE 194 CO 0.03 0.12 -0.01 1.51 0.00 0.00 0.00 174.94 176.59 2j46 s ASP 195 N 0.61 1.09 0.10 3.58 3.84 -1.26 -5.08 116.67 119.55 2j46 s ASP 195 Ca 0.59 -1.13 -0.19 0.00 -0.00 0.00 0.00 52.55 51.82 2j46 s ASP 195 Cb -0.37 0.13 -0.06 0.00 -1.38 0.00 0.00 42.92 41.24 2j46 s ASP 195 CO 0.35 -0.56 1.62 -0.33 -0.00 0.00 0.00 175.17 176.25 2j46 h GLU 196 N 2.78 0.41 -0.76 2.11 4.39 -1.99 -2.17 114.58 119.34 2j46 h GLU 196 Ca -0.36 -0.09 0.07 0.00 0.34 0.00 0.00 59.36 59.32 2j46 h GLU 196 Cb 1.19 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.72 2j46 h GLU 196 CO 0.63 0.47 0.45 -1.35 -1.16 0.00 0.00 179.01 178.05 2j46 h PRO 197 N 0.26 0.79 0.02 2.33 0.11 -1.99 -1.24 132.00 132.29 2j46 h PRO 197 Ca 0.09 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.15 2j46 h PRO 197 Cb 0.23 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.17 2j46 h PRO 197 CO -0.00 0.52 -0.01 1.25 -0.21 0.00 0.00 178.00 179.55 2j46 h LEU 198 N 0.81 -0.03 -1.01 2.35 5.85 -1.94 -0.72 115.31 120.62 2j46 h LEU 198 Ca 0.34 -0.11 0.09 0.00 0.84 0.00 0.00 57.88 59.04 2j46 h LEU 198 Cb 0.21 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.17 2j46 h LEU 198 CO -0.19 0.09 0.64 0.24 -0.34 0.00 0.00 178.44 178.89 2j46 h MET 199 N -0.15 1.07 -0.22 1.25 2.86 -1.18 -0.57 114.93 117.99 2j46 h MET 199 Ca -0.00 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 2j46 h MET 199 Cb 0.14 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 2j46 h MET 199 CO 0.01 0.71 0.02 0.78 1.06 0.00 0.00 176.91 179.48 2j46 h GLY 200 N 1.10 0.41 1.87 8.32 0.00 -0.92 -0.98 103.07 112.87 2j46 h GLY 200 Ca 0.46 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 47.43 2j46 h GLY 200 CO -0.21 0.27 -0.27 0.83 0.00 0.00 0.00 176.54 177.15 2j46 h GLU 201 N 0.17 0.16 -0.08 4.80 5.08 -0.67 -1.60 114.58 122.42 2j46 h GLU 201 Ca 0.07 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 2j46 h GLU 201 Cb 0.36 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2j46 h GLU 201 CO 0.01 0.42 -0.16 1.25 -1.00 0.00 0.00 179.01 179.53 2j46 h LEU 202 N 0.14 0.29 -0.92 1.33 5.85 -0.97 -1.03 115.31 120.00 2j46 h LEU 202 Ca 0.02 -0.56 0.08 0.00 0.84 0.00 0.00 57.88 58.26 2j46 h LEU 202 Cb 0.56 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.44 2j46 h LEU 202 CO 0.04 0.80 0.58 0.00 -0.34 0.00 0.00 178.44 179.51 2j46 h ALA 203 N 0.50 1.31 -0.39 1.25 0.00 -1.08 -0.55 119.26 120.31 2j46 h ALA 203 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2j46 h ALA 203 Cb 0.75 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2j46 h ALA 203 CO 0.04 0.28 0.12 -0.09 0.00 0.00 0.00 179.25 179.60 2j46 h ARG 204 N 1.00 0.60 -0.97 0.00 9.65 -1.24 -2.23 114.38 121.21 2j46 h ARG 204 Ca 0.42 -0.13 0.02 0.00 -1.10 0.00 0.00 59.98 59.19 2j46 h ARG 204 Cb 0.27 -0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 28.71 2j46 h ARG 204 CO -0.21 0.60 0.64 1.25 2.80 0.00 0.00 179.97 185.06 2j46 h LEU 205 N 0.48 1.10 -0.93 3.80 5.85 -0.59 -1.83 115.31 123.18 2j46 h LEU 205 Ca 0.13 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2j46 h LEU 205 Cb 0.25 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 2j46 h LEU 205 CO -0.00 0.78 0.59 0.50 -0.34 0.00 0.00 178.44 179.97 2j46 h LYS 206 N 1.29 1.25 -0.78 1.25 3.64 -0.89 0.98 116.57 123.31 2j46 h LYS 206 Ca 0.36 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.61 2j46 h LYS 206 Cb -0.12 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 31.40 2j46 h LYS 206 CO -0.09 0.85 0.34 0.93 -2.27 0.00 0.00 179.45 179.21 2j46 h GLU 207 N 1.28 1.14 0.21 1.90 5.08 -0.76 -0.18 114.58 123.25 2j46 h GLU 207 Ca 0.34 -0.19 -0.29 0.00 -1.00 0.00 0.00 59.36 58.22 2j46 h GLU 207 Cb -0.10 -0.19 0.03 0.00 0.50 0.00 0.00 28.75 28.99 2j46 h GLU 207 CO -0.07 0.91 -1.27 0.28 -1.00 0.00 0.00 179.01 177.86 2j46 h VAL 208 N 1.11 1.34 0.00 3.13 2.07 -1.01 -3.35 116.25 119.54 2j46 h VAL 208 Ca 0.26 -2.61 0.00 0.00 0.82 0.00 0.00 66.70 65.17 2j46 h VAL 208 Cb 0.17 3.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 2j46 h VAL 208 CO -0.03 0.77 -0.98 -0.07 0.02 0.00 0.00 177.57 177.29 2j46 h LEU 209 N 0.03 0.00 -1.84 2.57 3.38 -0.85 -3.49 115.31 115.11 2j46 h LEU 209 Ca -0.22 -0.01 -0.37 0.00 0.09 0.00 0.00 57.88 57.37 2j46 h LEU 209 Cb 1.99 0.00 0.12 0.00 0.09 0.00 0.00 40.66 42.86 2j46 h LEU 209 CO 0.24 0.01 -0.81 0.61 0.09 0.00 0.00 178.44 178.57 2j46 n GLY 210 N 1.19 -0.42 3.76 0.83 0.00 -0.08 -4.93 105.19 105.54 2j46 n GLY 210 Ca 0.00 0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2j46 n GLY 210 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2j46 s PRO 211 N -5.59 3.41 0.18 1.61 0.04 -1.26 -4.92 135.00 128.46 2j46 s PRO 211 Ca 0.06 2.27 0.24 0.00 0.04 0.00 0.00 61.00 63.60 2j46 s PRO 211 Cb -0.01 -2.43 0.36 0.00 0.04 0.00 0.00 34.50 32.46 2j46 s PRO 211 CO 0.77 -0.99 1.37 0.38 0.04 0.00 0.00 177.00 178.58 2j46 h ASP 212 N 1.86 0.00 -4.49 6.66 2.03 -1.40 -3.46 116.42 117.62 2j46 h ASP 212 Ca -0.51 -0.13 -0.28 0.00 -0.73 0.00 0.00 57.03 55.39 2j46 h ASP 212 Cb 1.28 0.00 -0.24 0.00 -0.83 0.00 0.00 39.33 39.55 2j46 h ASP 212 CO 0.59 0.06 -0.74 -1.61 -1.03 0.00 0.00 179.24 176.52 2j46 s GLU 213 N -3.19 0.46 -0.25 4.15 0.41 -1.24 -5.05 118.70 113.98 2j46 s GLU 213 Ca 0.06 -0.55 0.00 0.00 -0.41 0.00 0.00 54.97 54.07 2j46 s GLU 213 Cb 0.12 -0.28 0.07 0.00 -1.78 0.00 0.00 34.13 32.26 2j46 s GLU 213 CO 0.71 0.06 0.01 0.08 -0.49 0.00 0.00 175.26 175.62 2j46 s VAL 214 N -0.96 1.27 -0.31 2.63 1.01 -1.26 -1.29 120.40 121.49 2j46 s VAL 214 Ca -0.07 -1.25 -0.13 0.00 0.00 0.00 0.00 61.98 60.54 2j46 s VAL 214 Cb -0.07 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 2j46 s VAL 214 CO 0.00 -0.30 0.27 -0.76 0.00 0.00 0.00 175.10 174.32 2j46 s LEU 215 N 1.48 4.29 -0.24 3.92 1.43 0.20 -0.60 118.68 129.16 2j46 s LEU 215 Ca 0.00 -0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 52.76 2j46 s LEU 215 Cb -0.18 -2.22 -0.03 0.00 0.03 0.00 0.00 46.19 43.79 2j46 s LEU 215 CO -0.11 -0.20 0.54 -0.22 0.23 0.00 0.00 176.35 176.59 2j46 s LEU 216 N 1.85 4.08 -0.20 1.79 2.96 -0.33 -1.00 118.68 127.82 2j46 s LEU 216 Ca 0.09 0.60 -0.15 0.00 -0.22 0.00 0.00 54.13 54.45 2j46 s LEU 216 Cb -0.17 -2.72 -0.04 0.00 0.50 0.00 0.00 46.19 43.76 2j46 s LEU 216 CO 0.11 -0.28 0.34 -0.69 -1.32 0.00 0.00 176.35 174.51 2j46 s VAL 217 N 2.20 5.24 -0.04 1.68 1.01 -0.18 -0.92 120.40 129.39 2j46 s VAL 217 Ca 0.23 0.59 0.03 0.00 0.00 0.00 0.00 61.98 62.84 2j46 s VAL 217 Cb -0.16 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.55 2j46 s VAL 217 CO 0.09 0.28 -0.13 -0.76 0.00 0.00 0.00 175.10 174.58 2j46 s LEU 218 N 1.17 1.81 -0.46 3.92 1.43 -0.11 -4.42 118.68 122.02 2j46 s LEU 218 Ca 0.17 -0.29 -0.29 0.00 -1.03 0.00 0.00 54.13 52.69 2j46 s LEU 218 Cb -0.14 -0.80 0.02 0.00 0.03 0.00 0.00 46.19 45.30 2j46 s LEU 218 CO 0.07 0.10 1.31 -0.62 0.23 0.00 0.00 176.35 177.43 2j46 s ASP 219 N 0.23 6.41 0.59 2.29 -1.08 -1.26 -0.82 116.67 123.03 2j46 s ASP 219 Ca -0.06 0.60 0.31 0.00 -0.52 0.00 0.00 52.55 52.88 2j46 s ASP 219 Cb -0.11 -2.54 1.85 0.00 -1.46 0.00 0.00 42.92 40.65 2j46 s ASP 219 CO 0.02 -1.41 2.25 0.00 0.52 0.00 0.00 175.17 176.54 2j46 h ALA 220 N 10.20 1.44 0.00 3.66 0.00 -1.45 -2.11 119.26 131.00 2j46 h ALA 220 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2j46 h ALA 220 Cb 1.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2j46 h ALA 220 CO 1.12 0.02 0.00 -1.33 0.00 0.00 0.00 179.25 179.06 2j46 n MET 221 N -3.74 0.10 -0.00 0.00 2.81 -1.26 -2.92 117.12 112.11 2j46 n MET 221 Ca -0.03 0.20 0.15 0.00 -1.81 0.00 0.00 57.70 56.21 2j46 n MET 221 Cb 0.10 -1.50 0.70 0.00 -0.71 0.00 0.00 33.22 31.81 2j46 n MET 221 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2j46 n THR 222 N -1.40 0.01 -4.57 2.03 -2.24 -0.79 -4.95 114.28 102.37 2j46 n THR 222 Ca 0.05 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2j46 n THR 222 Cb 0.15 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 2j46 n THR 222 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j46 n GLY 223 N 1.09 1.54 0.28 3.38 0.00 -1.15 -3.20 105.19 107.14 2j46 n GLY 223 Ca 0.21 -0.66 0.15 0.00 0.00 0.00 0.00 46.02 45.72 2j46 n GLY 223 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2j46 h GLN 224 N 0.00 0.00 -0.70 1.61 1.08 -1.92 -1.35 115.11 113.83 2j46 h GLN 224 Ca 0.00 0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.31 2j46 h GLN 224 Cb 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.38 2j46 h GLN 224 CO 0.00 0.07 0.46 1.49 -0.95 0.00 0.00 178.83 179.91 2j46 h GLU 225 N 0.00 0.49 -0.64 1.46 4.57 -1.98 -0.86 114.58 117.61 2j46 h GLU 225 Ca -0.00 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.18 2j46 h GLU 225 Cb 0.28 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.73 2j46 h GLU 225 CO 0.01 0.32 0.42 0.00 -1.18 0.00 0.00 179.01 178.59 2j46 h ALA 226 N 1.66 1.64 -0.02 2.92 0.00 -1.39 0.15 119.26 124.21 2j46 h ALA 226 Ca 0.33 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 2j46 h ALA 226 Cb 0.60 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2j46 h ALA 226 CO -0.11 0.30 -0.68 -0.07 0.00 0.00 0.00 179.25 178.69 2j46 h LEU 227 N 0.77 0.11 -0.31 0.00 3.38 -1.32 -0.48 115.31 117.47 2j46 h LEU 227 Ca 0.25 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 2j46 h LEU 227 Cb 0.06 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2j46 h LEU 227 CO -0.07 0.76 -0.03 0.28 0.09 0.00 0.00 178.44 179.47 2j46 h SER 228 N 0.06 0.56 -0.57 -0.43 0.02 -1.07 -1.17 113.55 110.95 2j46 h SER 228 Ca -0.01 -0.33 0.05 0.00 -0.84 0.00 0.00 61.79 60.65 2j46 h SER 228 Cb 1.21 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 63.55 2j46 h SER 228 CO 0.10 0.76 0.31 0.58 -1.14 0.00 0.00 176.83 177.43 2j46 h VAL 229 N 0.35 0.97 -0.71 2.27 2.07 -0.84 -1.68 116.25 118.68 2j46 h VAL 229 Ca 0.08 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2j46 h VAL 229 Cb 0.49 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2j46 h VAL 229 CO 0.02 0.11 0.45 0.00 0.02 0.00 0.00 177.57 178.17 2j46 h ALA 230 N 1.30 0.91 -0.48 1.67 0.00 -0.89 -1.07 119.26 120.69 2j46 h ALA 230 Ca 0.25 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2j46 h ALA 230 Cb 0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2j46 h ALA 230 CO -0.16 0.36 0.25 -0.09 0.00 0.00 0.00 179.25 179.61 2j46 h ARG 231 N 0.97 0.68 -0.29 0.00 2.43 -0.91 -0.63 114.38 116.63 2j46 h ARG 231 Ca 0.26 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 2j46 h ARG 231 Cb -0.07 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 2j46 h ARG 231 CO -0.05 0.55 0.14 0.00 -1.51 0.00 0.00 179.97 179.10 2j46 h ALA 232 N 1.10 0.37 -0.51 2.80 0.00 -0.88 -0.25 119.26 121.89 2j46 h ALA 232 Ca 0.17 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2j46 h ALA 232 Cb 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2j46 h ALA 232 CO -0.03 -0.07 -0.05 0.74 0.00 0.00 0.00 179.25 179.85 2j46 h PHE 233 N 0.34 0.98 -0.49 0.00 0.04 -1.14 -1.19 116.94 115.48 2j46 h PHE 233 Ca 0.10 -0.17 -0.13 0.00 2.80 0.00 0.00 57.97 60.57 2j46 h PHE 233 Cb 0.11 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 37.99 2j46 h PHE 233 CO -0.02 0.91 -0.21 0.22 -0.60 0.00 0.00 178.31 178.61 2j46 h ASP 234 N 0.82 1.02 -0.33 2.17 3.58 -0.93 -0.41 116.42 122.34 2j46 h ASP 234 Ca 0.14 -0.38 -0.16 0.00 0.42 0.00 0.00 57.03 57.05 2j46 h ASP 234 Cb 0.56 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 2j46 h ASP 234 CO 0.03 1.18 -0.40 -0.33 -2.88 0.00 0.00 179.24 176.84 2j46 h GLU 235 N 0.86 0.89 0.00 0.28 5.08 -0.89 -2.64 114.58 118.17 2j46 h GLU 235 Ca 0.11 -0.48 -0.04 0.00 -1.00 0.00 0.00 59.36 57.96 2j46 h GLU 235 Cb 0.79 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 2j46 h GLU 235 CO 0.07 1.12 -1.56 1.63 -1.00 0.00 0.00 179.01 179.27 2j46 n LYS 236 N -4.05 0.64 0.03 2.33 5.02 -0.46 -4.73 118.16 116.93 2j46 n LYS 236 Ca -0.02 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 2j46 n LYS 236 Cb 0.55 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 2j46 n LYS 236 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2j46 n VAL 237 N -2.52 0.28 0.00 -0.18 0.31 -0.30 -4.68 118.33 111.24 2j46 n VAL 237 Ca -0.05 0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 2j46 n VAL 237 Cb 0.62 -1.22 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 2j46 n VAL 237 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2j46 n GLY 238 N 2.66 1.14 3.55 2.92 0.00 -0.38 -4.94 105.19 110.14 2j46 n GLY 238 Ca 0.00 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 2j46 n GLY 238 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2j46 s VAL 239 N 0.00 3.41 -0.05 1.61 1.01 -1.26 -4.77 120.40 120.36 2j46 s VAL 239 Ca 0.00 -0.84 0.14 0.00 0.00 0.00 0.00 61.98 61.28 2j46 s VAL 239 Cb 0.00 -2.46 -0.22 0.00 0.00 0.00 0.00 36.38 33.71 2j46 s VAL 239 CO 0.00 0.41 0.26 0.35 0.00 0.00 0.00 175.10 176.12 2j46 n THR 240 N 1.65 0.21 -3.64 3.92 -2.24 0.23 -4.94 114.28 109.48 2j46 n THR 240 Ca -0.16 -0.39 -0.06 0.00 -2.27 0.00 0.00 64.05 61.17 2j46 n THR 240 Cb 0.52 -0.02 -0.02 0.00 -2.10 0.00 0.00 70.33 68.72 2j46 n THR 240 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2j46 s GLY 241 N -3.93 -0.34 0.14 3.38 0.00 -1.15 -4.44 107.32 100.99 2j46 s GLY 241 Ca -0.06 0.54 0.09 0.00 0.00 0.00 0.00 44.72 45.29 2j46 s GLY 241 CO 0.60 0.15 -0.14 1.08 0.00 0.00 0.00 173.10 174.80 2j46 s LEU 242 N -2.74 2.85 -0.12 0.66 1.43 0.21 -1.19 118.68 119.78 2j46 s LEU 242 Ca 0.09 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 2j46 s LEU 242 Cb -0.01 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.60 2j46 s LEU 242 CO -0.03 0.15 -0.14 -0.69 0.23 0.00 0.00 176.35 175.87 2j46 s VAL 243 N -1.38 1.47 -0.30 -1.59 1.01 -0.10 -1.57 120.40 117.94 2j46 s VAL 243 Ca 0.21 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 2j46 s VAL 243 Cb -0.10 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 2j46 s VAL 243 CO 0.13 0.44 0.14 -0.76 0.00 0.00 0.00 175.10 175.04 2j46 s LEU 244 N 1.19 3.98 0.34 3.92 1.43 -0.98 -0.93 118.68 127.63 2j46 s LEU 244 Ca -0.02 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 52.69 2j46 s LEU 244 Cb -0.14 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.07 2j46 s LEU 244 CO -0.05 -0.16 0.49 0.42 0.23 0.00 0.00 176.35 177.29 2j46 s THR 245 N 1.62 4.40 -1.61 5.49 -4.23 -0.00 -0.36 115.64 120.96 2j46 s THR 245 Ca 0.05 -0.86 -0.04 0.00 -1.18 0.00 0.00 61.69 59.67 2j46 s THR 245 Cb -0.17 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.12 2j46 s THR 245 CO 0.06 -0.26 0.51 0.29 -0.54 0.00 0.00 174.62 174.68 2j46 n LYS 246 N -1.69 -4.37 0.25 3.99 5.02 -1.15 -1.22 118.16 119.00 2j46 n LYS 246 Ca -0.02 0.94 0.17 0.00 -2.02 0.00 0.00 58.31 57.38 2j46 n LYS 246 Cb 0.58 -5.77 0.82 0.00 -0.02 0.00 0.00 35.03 30.64 2j46 n LYS 246 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2j46 h LEU 247 N -1.16 0.00 0.00 -0.35 3.38 -1.60 -1.62 115.31 113.95 2j46 h LEU 247 Ca -0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.44 2j46 h LEU 247 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2j46 h LEU 247 CO 0.58 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.21 2j46 n ASP 248 N -2.79 0.00 -4.82 -0.43 5.75 -1.26 -2.03 116.55 110.97 2j46 n ASP 248 Ca -0.01 -0.01 -0.30 0.00 -0.01 0.00 0.00 54.79 54.46 2j46 n ASP 248 Cb 0.16 -0.32 0.08 0.00 -1.03 0.00 0.00 41.12 40.01 2j46 n ASP 248 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2j46 s GLY 249 N -2.65 1.62 -0.52 6.12 0.00 -0.61 -3.86 107.32 107.42 2j46 s GLY 249 Ca 0.25 -0.23 -0.27 0.00 0.00 0.00 0.00 44.72 44.47 2j46 s GLY 249 CO 0.45 0.19 1.08 0.99 0.00 0.00 0.00 173.10 175.81 2j46 s ASP 250 N -3.98 6.49 -0.00 1.64 -0.00 -1.26 -0.18 116.67 119.37 2j46 s ASP 250 Ca 0.60 0.13 -0.28 0.00 -0.00 0.00 0.00 52.55 53.01 2j46 s ASP 250 Cb -0.14 -2.51 0.09 0.00 -0.00 0.00 0.00 42.92 40.36 2j46 s ASP 250 CO 0.54 -1.29 0.80 0.00 -0.00 0.00 0.00 175.17 175.21 2j46 s ALA 251 N 4.41 -1.78 0.20 5.23 0.00 -1.26 -4.98 121.76 123.59 2j46 s ALA 251 Ca 0.41 1.05 -0.10 0.00 0.00 0.00 0.00 51.96 53.31 2j46 s ALA 251 Cb -0.09 0.25 0.26 0.00 0.00 0.00 0.00 23.12 23.54 2j46 s ALA 251 CO 0.26 -0.58 1.73 0.00 0.00 0.00 0.00 175.76 177.17 2j46 h ARG 252 N 2.29 0.31 0.00 0.00 3.08 -1.92 -2.73 114.38 115.41 2j46 h ARG 252 Ca -0.25 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.78 2j46 h ARG 252 Cb 1.23 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.20 2j46 h ARG 252 CO 0.34 0.21 0.00 0.41 -1.07 0.00 0.00 179.97 179.86 2j46 n GLY 253 N -1.30 0.71 0.34 0.04 0.00 -1.26 -3.85 105.19 99.88 2j46 n GLY 253 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 2j46 n GLY 253 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2j46 h GLY 254 N 0.00 1.25 -4.06 -0.02 0.00 0.12 -3.09 103.07 97.27 2j46 h GLY 254 Ca 0.00 -0.55 -0.52 0.00 0.00 0.00 0.00 47.33 46.26 2j46 h GLY 254 CO 0.00 0.53 0.59 0.00 0.00 0.00 0.00 176.54 177.66 2j46 s ALA 255 N -5.89 3.48 0.00 3.60 0.00 -1.26 -3.12 121.76 118.57 2j46 s ALA 255 Ca -0.13 1.07 0.00 0.00 0.00 0.00 0.00 51.96 52.90 2j46 s ALA 255 Cb 0.16 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2j46 s ALA 255 CO 0.81 -0.45 0.00 0.00 0.00 0.00 0.00 175.76 176.12 2j46 n ALA 256 N 1.92 0.00 0.21 0.00 0.00 -1.26 -4.51 120.51 116.86 2j46 n ALA 256 Ca 0.03 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.63 2j46 n ALA 256 Cb 0.43 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.52 2j46 n ALA 256 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2j46 h LEU 257 N 0.00 0.00 -0.97 0.00 3.38 -1.48 -3.00 115.31 113.24 2j46 h LEU 257 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2j46 h LEU 257 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2j46 h LEU 257 CO 0.00 0.00 -0.21 -1.20 0.09 0.00 0.00 178.44 177.12 2j46 n SER 258 N -3.10 1.57 -0.28 -0.43 7.64 -1.23 -4.36 113.62 113.44 2j46 n SER 258 Ca 0.03 -1.28 0.01 0.00 1.01 0.00 0.00 58.87 58.64 2j46 n SER 258 Cb 0.66 0.37 0.14 0.00 -1.01 0.00 0.00 64.21 64.36 2j46 n SER 258 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2j46 h ALA 259 N 2.33 1.09 -0.03 -0.43 0.00 -1.77 -0.01 119.26 120.44 2j46 h ALA 259 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2j46 h ALA 259 Cb 0.47 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2j46 h ALA 259 CO 0.00 0.15 0.01 -0.09 0.00 0.00 0.00 179.25 179.32 2j46 h ARG 260 N 0.82 0.05 -0.38 0.00 2.43 -1.77 0.12 114.38 115.64 2j46 h ARG 260 Ca 0.36 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.50 2j46 h ARG 260 Cb 0.24 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2j46 h ARG 260 CO -0.20 0.19 0.17 1.25 -1.51 0.00 0.00 179.97 179.87 2j46 h HIS 261 N -0.11 0.57 0.17 2.20 2.76 -1.56 -1.61 115.15 117.57 2j46 h HIS 261 Ca 0.01 -0.04 -0.35 0.00 -2.20 0.00 0.00 60.37 57.79 2j46 h HIS 261 Cb 0.16 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 28.95 2j46 h HIS 261 CO -0.02 0.49 -1.79 0.28 -1.30 0.00 0.00 177.93 175.60 2j46 h VAL 262 N 0.48 0.89 0.00 5.26 2.07 -1.01 -3.40 116.25 120.54 2j46 h VAL 262 Ca 0.13 -2.50 -0.18 0.00 0.82 0.00 0.00 66.70 64.97 2j46 h VAL 262 Cb 0.15 2.71 -0.03 0.00 -1.52 0.00 0.00 31.29 32.60 2j46 h VAL 262 CO -0.01 0.86 -2.02 0.35 0.02 0.00 0.00 177.57 176.77 2j46 n THR 263 N -3.55 0.66 -1.09 2.57 -2.24 0.40 -5.00 114.28 106.04 2j46 n THR 263 Ca -0.25 -0.59 -0.03 0.00 -2.27 0.00 0.00 64.05 60.91 2j46 n THR 263 Cb 1.07 -0.28 -0.01 0.00 -2.10 0.00 0.00 70.33 69.01 2j46 n THR 263 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2j46 n GLY 264 N 1.74 0.50 3.75 3.38 0.00 -0.61 -5.01 105.19 108.95 2j46 n GLY 264 Ca -0.17 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 2j46 n GLY 264 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j46 s LYS 265 N -1.55 3.08 0.58 1.61 -0.14 -1.26 -5.00 119.74 117.05 2j46 s LYS 265 Ca 0.00 -0.39 -0.17 0.00 -1.36 0.00 0.00 55.97 54.05 2j46 s LYS 265 Cb 0.00 -2.88 -0.04 0.00 -1.68 0.00 0.00 37.83 33.23 2j46 s LYS 265 CO 0.00 0.70 1.06 -1.25 -0.76 0.00 0.00 175.35 175.10 2j46 s PRO 266 N -1.19 3.38 -0.35 -1.68 0.04 -1.26 -4.40 135.00 129.54 2j46 s PRO 266 Ca 0.17 1.26 -0.16 0.00 0.04 0.00 0.00 61.00 62.30 2j46 s PRO 266 Cb -0.12 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 2j46 s PRO 266 CO 0.06 -0.77 0.41 0.42 0.04 0.00 0.00 177.00 177.17 2j46 s ILE 267 N -2.34 5.12 -0.10 0.56 1.01 -1.26 -0.62 121.20 123.56 2j46 s ILE 267 Ca 0.65 0.14 0.02 0.00 0.00 0.00 0.00 60.65 61.45 2j46 s ILE 267 Cb -0.17 -3.87 -0.24 0.00 0.01 0.00 0.00 42.46 38.19 2j46 s ILE 267 CO 0.34 -0.14 0.42 -1.22 0.00 0.00 0.00 174.94 174.34 2j46 n TYR 268 N 5.50 1.04 -3.99 3.97 4.01 -0.61 -4.59 117.16 122.48 2j46 n TYR 268 Ca -0.08 0.27 -0.09 0.00 -0.16 0.00 0.00 57.90 57.85 2j46 n TYR 268 Cb 0.49 -1.16 -0.11 0.00 -0.31 0.00 0.00 39.34 38.26 2j46 n TYR 268 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2j46 s PHE 269 N -2.57 0.30 -0.02 -0.72 0.40 -1.24 -1.59 117.98 112.54 2j46 s PHE 269 Ca -0.16 -0.58 -0.01 0.00 -0.60 0.00 0.00 56.93 55.58 2j46 s PHE 269 Cb 0.07 -0.22 0.01 0.00 0.51 0.00 0.00 43.02 43.40 2j46 s PHE 269 CO 0.78 -0.20 0.05 0.00 0.70 0.00 0.00 175.22 176.55 2j46 s ALA 270 N -1.67 -0.09 -0.33 5.36 0.00 -0.15 -2.31 121.76 122.56 2j46 s ALA 270 Ca -0.14 0.22 -0.23 0.00 0.00 0.00 0.00 51.96 51.82 2j46 s ALA 270 Cb -0.08 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.89 2j46 s ALA 270 CO -0.02 -0.05 0.75 0.20 0.00 0.00 0.00 175.76 176.64 2j46 s GLY 271 N 0.37 1.70 -0.01 0.00 0.00 0.52 -2.21 107.32 107.68 2j46 s GLY 271 Ca -0.03 -0.58 0.14 0.00 0.00 0.00 0.00 44.72 44.24 2j46 s GLY 271 CO -0.01 1.69 0.39 -0.62 0.00 0.00 0.00 173.10 174.55 2j46 n VAL 272 N 5.63 0.00 -3.83 1.40 0.31 0.54 -1.82 118.33 120.55 2j46 n VAL 272 Ca 0.02 -0.27 -0.07 0.00 -0.01 0.00 0.00 64.34 64.01 2j46 n VAL 272 Cb 0.48 0.45 0.02 0.00 -0.91 0.00 0.00 33.84 33.88 2j46 n VAL 272 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2j46 s SER 273 N -3.17 -0.00 0.20 4.52 1.04 -1.22 -4.40 113.70 110.67 2j46 s SER 273 Ca -0.02 -0.98 0.23 0.00 0.48 0.00 0.00 55.95 55.66 2j46 s SER 273 Cb 0.09 0.74 0.10 0.00 0.10 0.00 0.00 66.02 67.05 2j46 s SER 273 CO 0.57 -1.46 1.15 -0.33 0.98 0.00 0.00 173.24 174.14 2j46 h GLU 274 N 2.00 0.00 -6.97 4.02 4.39 -1.97 -3.41 114.58 112.64 2j46 h GLU 274 Ca -0.30 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 58.85 2j46 h GLU 274 Cb 1.24 0.00 0.19 0.00 -0.10 0.00 0.00 28.75 30.08 2j46 h GLU 274 CO 0.39 0.00 0.01 1.63 -1.16 0.00 0.00 179.01 179.88 2j46 n LYS 275 N -2.57 0.24 0.30 2.33 5.02 -1.26 -4.81 118.16 117.41 2j46 n LYS 275 Ca 0.01 0.14 0.16 0.00 -2.02 0.00 0.00 58.31 56.60 2j46 n LYS 275 Cb 0.52 -2.18 0.94 0.00 -0.02 0.00 0.00 35.03 34.29 2j46 n LYS 275 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2j46 h PRO 276 N -0.70 0.00 -0.50 1.97 0.13 -2.02 0.13 132.00 131.01 2j46 h PRO 276 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2j46 h PRO 276 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2j46 h PRO 276 CO 0.44 0.01 0.00 0.39 -0.23 0.00 0.00 178.00 178.61 2j46 n GLU 277 N -3.74 2.23 0.00 0.86 1.02 -1.26 -4.51 120.64 115.24 2j46 n GLU 277 Ca -0.03 -1.90 0.08 0.00 -0.02 0.00 0.00 57.16 55.29 2j46 n GLU 277 Cb 0.09 -1.42 0.40 0.00 -0.02 0.00 0.00 31.44 30.49 2j46 n GLU 277 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2j46 n GLY 278 N 1.35 -0.82 3.55 0.62 0.00 0.46 -4.57 105.19 105.79 2j46 n GLY 278 Ca 0.18 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 2j46 n GLY 278 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2j46 s LEU 279 N -2.58 4.32 0.16 0.99 2.96 -1.26 -0.34 118.68 122.92 2j46 s LEU 279 Ca 0.15 -0.25 0.11 0.00 -0.22 0.00 0.00 54.13 53.92 2j46 s LEU 279 Cb 0.11 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.62 2j46 s LEU 279 CO 0.25 -0.17 -0.25 -1.61 -1.32 0.00 0.00 176.35 173.25 2j46 s GLU 280 N 1.75 1.44 0.35 1.98 2.02 -0.94 -4.97 118.70 120.33 2j46 s GLU 280 Ca 0.07 -1.42 -0.27 0.00 0.02 0.00 0.00 54.97 53.37 2j46 s GLU 280 Cb -0.17 -1.85 -0.12 0.00 0.10 0.00 0.00 34.13 32.09 2j46 s GLU 280 CO 0.11 0.42 1.24 -2.30 0.02 0.00 0.00 175.26 174.75 2j46 n PRO 281 N 0.64 1.97 -3.03 0.39 -0.02 -1.26 -0.98 135.00 132.71 2j46 n PRO 281 Ca -0.16 0.69 -0.40 0.00 -2.02 0.00 0.00 63.50 61.62 2j46 n PRO 281 Cb 0.54 -2.26 -0.05 0.00 -0.02 0.00 0.00 33.50 31.71 2j46 n PRO 281 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2j46 s PHE 282 N -1.11 3.56 -0.36 6.00 5.36 -0.62 -4.68 117.98 126.12 2j46 s PHE 282 Ca 0.57 1.24 0.02 0.00 -0.96 0.00 0.00 56.93 57.80 2j46 s PHE 282 Cb -0.57 -2.82 0.10 0.00 -0.34 0.00 0.00 43.02 39.38 2j46 s PHE 282 CO 0.61 0.05 0.09 0.71 -1.46 0.00 0.00 175.22 175.22 2j46 s TYR 283 N 0.97 3.72 0.29 10.12 2.02 -1.26 -4.38 117.35 128.83 2j46 s TYR 283 Ca 0.37 -2.85 0.03 0.00 -0.37 0.00 0.00 57.07 54.26 2j46 s TYR 283 Cb -0.18 -2.99 0.64 0.00 -0.40 0.00 0.00 41.96 39.04 2j46 s TYR 283 CO 0.17 -0.95 1.80 -1.35 -1.57 0.00 0.00 175.55 173.65 2j46 h PRO 284 N 7.72 0.84 -0.42 -1.71 0.11 -1.85 -1.60 132.00 135.10 2j46 h PRO 284 Ca -0.06 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.92 2j46 h PRO 284 Cb 1.03 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 2j46 h PRO 284 CO 0.56 0.56 -0.06 1.05 -0.21 0.00 0.00 178.00 179.90 2j46 h GLU 285 N 0.87 0.70 0.09 1.05 4.11 -1.87 -0.87 114.58 118.67 2j46 h GLU 285 Ca 0.54 -0.20 -0.00 0.00 0.07 0.00 0.00 59.36 59.76 2j46 h GLU 285 Cb 0.70 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2j46 h GLU 285 CO -0.33 0.76 -0.05 -0.09 0.07 0.00 0.00 179.01 179.38 2j46 h ARG 286 N 0.65 -0.12 -0.61 1.06 2.43 -1.72 -1.88 114.38 114.19 2j46 h ARG 286 Ca 0.12 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 2j46 h ARG 286 Cb 0.49 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 2j46 h ARG 286 CO 0.03 0.06 0.31 1.25 -1.51 0.00 0.00 179.97 180.11 2j46 h LEU 287 N -0.28 0.79 -0.35 3.80 5.85 -1.32 -1.36 115.31 122.43 2j46 h LEU 287 Ca -0.01 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.64 2j46 h LEU 287 Cb 0.24 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 2j46 h LEU 287 CO 0.02 0.68 0.08 0.00 -0.34 0.00 0.00 178.44 178.88 2j46 h ALA 288 N 1.14 0.38 -0.46 1.25 0.00 -1.13 -0.66 119.26 119.78 2j46 h ALA 288 Ca 0.21 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.20 2j46 h ALA 288 Cb 0.09 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2j46 h ALA 288 CO -0.03 -0.32 0.28 0.78 0.00 0.00 0.00 179.25 179.96 2j46 h GLY 289 N 0.21 0.65 1.00 0.00 0.00 -0.91 -2.76 103.07 101.25 2j46 h GLY 289 Ca 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2j46 h GLY 289 CO -0.21 0.19 0.22 3.21 0.00 0.00 0.00 176.54 179.95 2j46 h ARG 290 N 0.56 0.44 -0.81 4.80 3.08 -0.86 0.17 114.38 121.76 2j46 h ARG 290 Ca 0.18 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.33 2j46 h ARG 290 Cb -0.00 -0.10 -0.06 0.00 0.08 0.00 0.00 29.97 29.89 2j46 h ARG 290 CO -0.08 0.30 0.53 0.82 -1.07 0.00 0.00 179.97 180.47 2j46 h ILE 291 N 0.46 0.88 -0.33 2.04 2.04 -0.97 0.75 117.51 122.38 2j46 h ILE 291 Ca 0.12 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2j46 h ILE 291 Cb -0.05 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 2j46 h ILE 291 CO -0.03 0.12 0.00 0.18 0.00 0.00 0.00 178.15 178.42 2j46 n LEU 292 N -4.52 2.00 0.00 1.44 4.77 -0.74 -4.46 117.00 115.50 2j46 n LEU 292 Ca 0.15 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 2j46 n LEU 292 Cb 0.41 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2j46 n LEU 292 CO 0.31 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 2j46 n GLY 293 N 1.13 0.58 3.93 -0.72 0.00 0.26 -4.94 105.19 105.43 2j46 n GLY 293 Ca 0.14 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 2j46 n GLY 293 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2j46 s MET 294 N -0.43 3.48 3.37 1.61 -1.94 -0.03 -4.99 119.30 120.38 2j46 s MET 294 Ca 0.00 -0.44 0.00 0.00 -1.71 0.00 0.00 55.69 53.54 2j46 s MET 294 Cb 0.00 -2.93 0.00 0.00 2.01 0.00 0.00 34.83 33.91 2j46 s MET 294 CO 0.00 0.50 0.00 0.41 -0.01 0.00 0.00 175.02 175.92 2j46 n GLY 295 N -0.33 0.19 0.12 -0.03 0.00 -1.26 -3.40 105.19 100.47 2j46 n GLY 295 Ca -0.05 -0.90 0.16 0.00 0.00 0.00 0.00 46.02 45.22 2j46 n GLY 295 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54