#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 -1.86 -0.17 1.12 3.72 -0.51 -4.81 117.46 114.96 2j46 n PHE 2 Ca 0.00 0.75 -0.07 0.00 -0.05 0.00 0.00 57.45 58.08 2j46 n PHE 2 Cb 0.00 -4.04 0.02 0.00 -0.94 0.00 0.00 39.48 34.52 2j46 n PHE 2 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 2j46 h GLN 3 N -1.83 0.67 0.29 -1.08 4.15 -1.78 -0.78 115.11 114.74 2j46 h GLN 3 Ca -0.63 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 58.74 2j46 h GLN 3 Cb 1.36 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.90 2j46 h GLN 3 CO 0.56 0.44 -0.14 0.37 -1.93 0.00 0.00 178.83 178.13 2j46 h GLN 4 N 0.68 -0.38 -0.26 1.69 5.75 -1.90 -1.62 115.11 119.07 2j46 h GLN 4 Ca 0.18 0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.76 2j46 h GLN 4 Cb -0.08 0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.51 2j46 h GLN 4 CO -0.04 -0.13 -0.07 1.25 -2.65 0.00 0.00 178.83 177.19 2j46 h LEU 5 N -0.58 -0.26 -0.04 -2.39 5.85 -1.79 -0.89 115.31 115.20 2j46 h LEU 5 Ca -0.04 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.79 2j46 h LEU 5 Cb 0.42 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 2j46 h LEU 5 CO 0.07 -0.10 -0.22 -1.28 -0.34 0.00 0.00 178.44 176.57 2j46 h SER 6 N -0.01 -0.66 -0.59 1.25 0.87 -1.06 -0.11 113.55 113.23 2j46 h SER 6 Ca 0.13 0.10 0.07 0.00 -1.23 0.00 0.00 61.79 60.85 2j46 h SER 6 Cb 0.20 0.28 -0.06 0.00 -0.44 0.00 0.00 62.40 62.38 2j46 h SER 6 CO -0.27 -0.28 0.27 0.00 -0.53 0.00 0.00 176.83 176.01 2j46 h ALA 7 N 0.57 0.77 -0.40 6.23 0.00 -0.63 0.79 119.26 126.60 2j46 h ALA 7 Ca 0.07 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2j46 h ALA 7 Cb 0.43 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2j46 h ALA 7 CO -0.23 -0.11 0.13 0.00 0.00 0.00 0.00 179.25 179.04 2j46 h ARG 8 N 0.50 0.62 -0.53 0.00 3.08 -0.81 -0.70 114.38 116.54 2j46 h ARG 8 Ca 0.28 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 60.14 2j46 h ARG 8 Cb 0.26 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 2j46 h ARG 8 CO -0.23 0.62 0.11 -0.07 -1.07 0.00 0.00 179.97 179.33 2j46 h LEU 9 N 0.50 0.82 -1.06 3.04 3.38 -0.59 -1.04 115.31 120.37 2j46 h LEU 9 Ca 0.13 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2j46 h LEU 9 Cb 0.25 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2j46 h LEU 9 CO -0.00 0.86 0.35 1.56 0.09 0.00 0.00 178.44 181.29 2j46 h GLN 10 N 0.75 1.01 -0.41 1.13 4.20 -0.72 -2.17 115.11 118.90 2j46 h GLN 10 Ca 0.16 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 2j46 h GLN 10 Cb 0.37 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 2j46 h GLN 10 CO 0.01 0.77 0.05 1.49 -0.67 0.00 0.00 178.83 180.48 2j46 h GLU 11 N 1.01 0.69 -0.49 1.46 4.57 -0.83 0.43 114.58 121.41 2j46 h GLU 11 Ca 0.25 -0.19 -0.05 0.00 -1.18 0.00 0.00 59.36 58.19 2j46 h GLU 11 Cb 0.09 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 2j46 h GLU 11 CO -0.03 0.74 0.12 0.00 -1.18 0.00 0.00 179.01 178.66 2j46 h ALA 12 N 0.92 1.29 0.01 2.92 0.00 -0.84 -1.69 119.26 121.87 2j46 h ALA 12 Ca 0.12 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2j46 h ALA 12 Cb 0.40 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2j46 h ALA 12 CO 0.01 0.50 -0.00 0.82 0.00 0.00 0.00 179.25 180.58 2j46 h ILE 13 N 0.72 1.62 -0.13 0.00 2.04 -1.37 -3.37 117.51 117.02 2j46 h ILE 13 Ca 0.16 -2.08 -0.03 0.00 1.00 0.00 0.00 64.86 63.91 2j46 h ILE 13 Cb 0.27 2.99 -0.01 0.00 -0.74 0.00 0.00 36.82 39.33 2j46 h ILE 13 CO -0.00 0.52 -0.07 1.23 0.00 0.00 0.00 178.15 179.83 2j46 h GLY 14 N -0.93 0.21 2.00 5.37 0.00 -0.79 -1.96 103.07 106.97 2j46 h GLY 14 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 2j46 h GLY 14 CO 0.00 0.10 0.00 0.07 0.00 0.00 0.00 176.54 176.72 2j46 h ARG 15 N 0.19 0.00 0.00 4.80 0.11 -1.47 -2.04 114.38 115.97 2j46 h ARG 15 Ca 0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.12 2j46 h ARG 15 Cb 0.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.34 2j46 h ARG 15 CO 0.01 0.00 -0.13 -0.07 0.10 0.00 0.00 179.97 179.88 2j46 h LEU 16 N 0.00 0.00-10.04 0.08 3.38 -1.54 -3.47 115.31 103.71 2j46 h LEU 16 Ca 0.00 -0.01 -0.54 0.00 0.09 0.00 0.00 57.88 57.42 2j46 h LEU 16 Cb 0.16 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.02 2j46 h LEU 16 CO 0.00 0.01 0.56 -0.13 0.09 0.00 0.00 178.44 178.97 2j46 s ARG 17 N -3.20 3.24 -0.22 1.13 0.52 -0.77 -3.59 118.95 116.06 2j46 s ARG 17 Ca 0.07 2.09 0.00 0.00 -0.52 0.00 0.00 55.73 57.37 2j46 s ARG 17 Cb 0.08 -2.25 0.00 0.00 0.52 0.00 0.00 34.95 33.30 2j46 s ARG 17 CO 0.67 -1.06 0.00 0.41 0.02 0.00 0.00 175.30 175.34 2j46 n GLY 18 N 0.65 0.51 0.32 -3.53 0.00 -1.26 -4.85 105.19 97.03 2j46 n GLY 18 Ca 0.10 -0.23 0.05 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.05 1.29 0.00 1.61 5.12 -1.24 -5.10 116.66 116.29 2j46 n ARG 19 Ca -0.02 -0.86 0.00 0.00 -1.93 0.00 0.00 57.85 55.04 2j46 n ARG 19 Cb 0.18 -1.14 0.00 0.00 -1.16 0.00 0.00 32.46 30.34 2j46 n ARG 19 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2j46 n GLY 20 N 0.74 -0.27 3.77 -0.13 0.00 -1.26 -4.90 105.19 103.14 2j46 n GLY 20 Ca 0.05 -1.07 -0.36 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 3.41 0.12 1.61 0.52 -1.26 -4.55 118.95 118.81 2j46 s ARG 21 Ca 0.00 1.80 -0.03 0.00 -0.52 0.00 0.00 55.73 56.98 2j46 s ARG 21 Cb 0.00 -2.18 -0.05 0.00 0.52 0.00 0.00 34.95 33.24 2j46 s ARG 21 CO 0.00 -0.84 0.32 0.96 0.02 0.00 0.00 175.30 175.76 2j46 s ILE 22 N -1.58 5.24 0.52 1.52 -4.36 -1.26 -5.08 121.20 116.20 2j46 s ILE 22 Ca 0.70 -0.16 -0.04 0.00 -0.26 0.00 0.00 60.65 60.89 2j46 s ILE 22 Cb -0.29 -3.64 -0.01 0.00 1.25 0.00 0.00 42.46 39.77 2j46 s ILE 22 CO 0.34 0.04 0.80 0.42 0.24 0.00 0.00 174.94 176.78 2j46 s THR 23 N -1.64 4.07 0.33 8.37 -4.23 -1.26 -4.76 115.64 116.53 2j46 s THR 23 Ca 0.39 -0.12 0.03 0.00 -1.18 0.00 0.00 61.69 60.81 2j46 s THR 23 Cb -0.12 -3.56 0.29 0.00 1.34 0.00 0.00 72.50 70.44 2j46 s THR 23 CO 0.26 -0.51 1.93 -0.08 -0.54 0.00 0.00 174.62 175.68 2j46 h GLU 24 N 0.11 0.86 -0.55 3.99 4.81 -1.99 -0.67 114.58 121.14 2j46 h GLU 24 Ca -0.46 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 58.67 2j46 h GLU 24 Cb 1.24 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 2j46 h GLU 24 CO 0.60 0.57 0.17 1.49 -0.73 0.00 0.00 179.01 181.11 2j46 h GLU 25 N 0.89 0.85 -0.60 1.92 4.81 -1.99 -1.04 114.58 119.42 2j46 h GLU 25 Ca 0.36 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 2j46 h GLU 25 Cb 0.26 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 2j46 h GLU 25 CO -0.13 0.77 0.40 -0.44 -0.73 0.00 0.00 179.01 178.88 2j46 h ASP 26 N 0.76 0.69 -0.20 1.04 3.45 -1.75 -1.00 116.42 119.41 2j46 h ASP 26 Ca 0.18 -0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.61 2j46 h ASP 26 Cb 0.28 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.87 2j46 h ASP 26 CO -0.01 0.50 0.07 0.25 -1.57 0.00 0.00 179.24 178.48 2j46 h LEU 27 N 0.81 0.28 -0.88 1.55 5.85 -0.94 -0.93 115.31 121.05 2j46 h LEU 27 Ca 0.22 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.83 2j46 h LEU 27 Cb -0.09 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 40.80 2j46 h LEU 27 CO -0.05 0.38 0.55 0.50 -0.34 0.00 0.00 178.44 179.48 2j46 h LYS 28 N 0.16 0.94 -0.53 1.25 3.64 -0.97 -0.74 116.57 120.32 2j46 h LYS 28 Ca 0.07 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.28 2j46 h LYS 28 Cb 0.20 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 2j46 h LYS 28 CO -0.00 0.62 -0.09 0.00 -2.27 0.00 0.00 179.45 177.71 2j46 h ALA 29 N 1.43 0.72 -0.49 5.00 0.00 -0.97 -1.75 119.26 123.20 2j46 h ALA 29 Ca 0.39 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2j46 h ALA 29 Cb 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2j46 h ALA 29 CO -0.19 0.61 0.18 1.15 0.00 0.00 0.00 179.25 181.00 2j46 h THR 30 N 0.86 1.22 -0.69 0.00 2.02 -0.66 -1.23 112.91 114.42 2j46 h THR 30 Ca 0.14 -0.70 -0.03 0.00 0.77 0.00 0.00 66.41 66.59 2j46 h THR 30 Cb 0.65 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 2j46 h THR 30 CO 0.04 0.26 0.30 -0.07 0.37 0.00 0.00 175.52 176.42 2j46 h LEU 31 N 0.65 0.93 -0.73 2.58 3.38 -1.06 -0.87 115.31 120.18 2j46 h LEU 31 Ca 0.16 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2j46 h LEU 31 Cb 0.23 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2j46 h LEU 31 CO -0.01 0.84 0.36 -0.09 0.09 0.00 0.00 178.44 179.62 2j46 h ARG 32 N 0.97 1.06 -0.46 1.13 2.43 -1.11 -0.57 114.38 117.82 2j46 h ARG 32 Ca 0.23 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 2j46 h ARG 32 Cb 0.18 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 2j46 h ARG 32 CO -0.02 0.83 0.15 1.49 -1.51 0.00 0.00 179.97 180.90 2j46 h GLU 33 N 1.03 0.71 -0.61 0.20 4.57 -0.91 -0.64 114.58 118.93 2j46 h GLU 33 Ca 0.25 -0.15 0.04 0.00 -1.18 0.00 0.00 59.36 58.32 2j46 h GLU 33 Cb 0.11 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.56 2j46 h GLU 33 CO -0.03 0.68 0.36 0.82 -1.18 0.00 0.00 179.01 179.65 2j46 h ILE 34 N 0.61 1.04 -0.28 2.32 2.04 -0.84 -0.87 117.51 121.53 2j46 h ILE 34 Ca 0.15 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2j46 h ILE 34 Cb 0.25 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2j46 h ILE 34 CO -0.01 0.13 0.18 -0.09 0.00 0.00 0.00 178.15 178.36 2j46 h ARG 35 N 0.70 0.37 -0.60 2.37 2.43 -0.76 -1.61 114.38 117.27 2j46 h ARG 35 Ca 0.25 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.33 2j46 h ARG 35 Cb 0.07 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 2j46 h ARG 35 CO -0.12 0.25 0.09 0.00 -1.51 0.00 0.00 179.97 178.68 2j46 h ARG 36 N 0.37 0.98 -0.24 0.20 3.08 -0.92 -0.84 114.38 117.01 2j46 h ARG 36 Ca 0.10 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2j46 h ARG 36 Cb -0.03 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 2j46 h ARG 36 CO -0.02 0.90 0.15 0.00 -1.07 0.00 0.00 179.97 179.94 2j46 h ALA 37 N 1.18 0.30 -0.40 0.04 0.00 -0.85 -0.56 119.26 118.96 2j46 h ALA 37 Ca 0.19 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2j46 h ALA 37 Cb 0.40 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2j46 h ALA 37 CO 0.01 -0.22 0.25 -0.07 0.00 0.00 0.00 179.25 179.22 2j46 h LEU 38 N 0.32 0.42 -0.15 0.00 3.38 -1.02 -2.12 115.31 116.14 2j46 h LEU 38 Ca 0.09 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.08 2j46 h LEU 38 Cb -0.03 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2j46 h LEU 38 CO -0.02 0.31 -0.01 0.24 0.09 0.00 0.00 178.44 179.05 2j46 h MET 39 N 0.51 0.03 0.00 1.13 2.86 -0.86 -1.32 114.93 117.29 2j46 h MET 39 Ca 0.15 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 2j46 h MET 39 Cb -0.03 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 2j46 h MET 39 CO -0.05 0.02 -0.07 0.22 1.06 0.00 0.00 176.91 178.09 2j46 h ASP 40 N 0.03 0.00 -0.02 1.22 3.58 -0.92 0.11 116.42 120.43 2j46 h ASP 40 Ca 0.07 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2j46 h ASP 40 Cb 0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2j46 h ASP 40 CO -0.13 0.07 0.00 0.00 -2.88 0.00 0.00 179.24 176.31 2j46 n ALA 41 N -2.32 2.50 -2.30 -0.78 0.00 -0.57 -4.87 120.51 112.16 2j46 n ALA 41 Ca -0.02 -0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.21 2j46 n ALA 41 Cb 0.17 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.61 2j46 n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2j46 n ASP 42 N -0.40 -5.04 -4.76 0.00 2.03 0.03 -1.61 116.55 106.81 2j46 n ASP 42 Ca 0.01 -0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.91 2j46 n ASP 42 Cb 0.04 -4.13 -0.04 0.00 -0.72 0.00 0.00 41.12 36.28 2j46 n ASP 42 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2j46 s VAL 43 N -2.85 3.35 0.33 5.18 1.01 -0.73 -4.35 120.40 122.34 2j46 s VAL 43 Ca 0.00 1.32 -0.28 0.00 0.00 0.00 0.00 61.98 63.03 2j46 s VAL 43 Cb 0.00 -3.84 -0.13 0.00 0.00 0.00 0.00 36.38 32.41 2j46 s VAL 43 CO 0.00 0.30 1.19 -3.20 0.00 0.00 0.00 175.10 173.40 2j46 n ASN 44 N 1.31 2.26 -0.21 3.32 2.85 -1.26 -4.62 115.26 118.91 2j46 n ASN 44 Ca -0.00 1.19 -0.07 0.00 -0.11 0.00 0.00 54.58 55.59 2j46 n ASN 44 Cb 0.44 -1.42 0.03 0.00 1.24 0.00 0.00 39.78 40.07 2j46 n ASN 44 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 2j46 h LEU 45 N 2.32 0.76 -0.71 1.20 5.85 -1.98 -0.40 115.31 122.35 2j46 h LEU 45 Ca -0.44 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.11 2j46 h LEU 45 Cb 1.30 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 2j46 h LEU 45 CO 0.62 0.65 0.23 -0.08 -0.34 0.00 0.00 178.44 179.52 2j46 h GLU 46 N 0.80 1.11 -0.36 1.25 4.81 -1.99 -1.03 114.58 119.17 2j46 h GLU 46 Ca 0.21 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2j46 h GLU 46 Cb 0.08 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 2j46 h GLU 46 CO -0.03 0.94 0.22 0.28 -0.73 0.00 0.00 179.01 179.70 2j46 h VAL 47 N 1.05 1.11 -0.45 0.32 2.07 -1.70 -0.74 116.25 117.92 2j46 h VAL 47 Ca 0.23 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2j46 h VAL 47 Cb 0.29 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 2j46 h VAL 47 CO -0.01 0.11 0.28 0.00 0.02 0.00 0.00 177.57 177.98 2j46 h ALA 48 N 1.10 0.57 -0.47 1.67 0.00 -0.73 0.68 119.26 122.09 2j46 h ALA 48 Ca 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2j46 h ALA 48 Cb -0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2j46 h ALA 48 CO -0.03 0.05 0.19 0.00 0.00 0.00 0.00 179.25 179.46 2j46 h ARG 49 N 0.60 0.70 -0.74 0.00 3.08 -1.06 -2.31 114.38 114.65 2j46 h ARG 49 Ca 0.16 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 2j46 h ARG 49 Cb -0.03 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 2j46 h ARG 49 CO -0.03 0.63 0.30 -0.44 -1.07 0.00 0.00 179.97 179.36 2j46 h ASP 50 N 0.62 1.01 0.29 7.04 3.32 -0.94 -1.82 116.42 125.94 2j46 h ASP 50 Ca 0.16 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2j46 h ASP 50 Cb 0.19 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.48 2j46 h ASP 50 CO -0.01 0.90 -0.14 0.15 -1.72 0.00 0.00 179.24 178.41 2j46 h PHE 51 N 1.08 -0.37 -0.25 4.55 3.04 -0.63 -0.12 116.94 124.24 2j46 h PHE 51 Ca 0.25 -0.01 -0.11 0.00 3.98 0.00 0.00 57.97 62.08 2j46 h PHE 51 Cb 0.20 0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.81 2j46 h PHE 51 CO 0.02 -0.20 -0.31 -0.39 -2.02 0.00 0.00 178.31 175.40 2j46 h VAL 52 N -0.43 1.28 -0.71 1.41 -1.51 -1.37 -1.09 116.25 113.83 2j46 h VAL 52 Ca -0.04 -1.40 0.04 0.00 -1.23 0.00 0.00 66.70 64.06 2j46 h VAL 52 Cb 0.33 1.43 -0.05 0.00 -2.13 0.00 0.00 31.29 30.87 2j46 h VAL 52 CO 0.07 0.44 0.44 -0.08 -1.23 0.00 0.00 177.57 177.21 2j46 h GLU 53 N 0.45 0.82 0.27 5.19 4.57 -1.18 0.17 114.58 124.87 2j46 h GLU 53 Ca 0.05 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2j46 h GLU 53 Cb 0.77 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 29.14 2j46 h GLU 53 CO 0.06 0.54 -0.38 -0.09 -1.18 0.00 0.00 179.01 177.96 2j46 h ARG 54 N 0.84 -0.69 -0.60 1.92 9.65 -0.65 -1.29 114.38 123.56 2j46 h ARG 54 Ca 0.29 0.05 0.09 0.00 -1.10 0.00 0.00 59.98 59.31 2j46 h ARG 54 Cb 0.06 0.16 -0.07 0.00 -1.39 0.00 0.00 29.97 28.73 2j46 h ARG 54 CO -0.13 -0.46 0.25 0.28 2.80 0.00 0.00 179.97 182.71 2j46 h VAL 55 N -0.71 0.81 -0.10 0.20 2.07 -0.83 0.32 116.25 118.00 2j46 h VAL 55 Ca -0.01 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.40 2j46 h VAL 55 Cb 0.68 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 2j46 h VAL 55 CO -0.13 0.08 -0.14 -0.09 0.02 0.00 0.00 177.57 177.32 2j46 h ARG 56 N 0.44 -0.17 -0.35 1.57 2.43 -0.46 0.16 114.38 118.00 2j46 h ARG 56 Ca 0.30 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.47 2j46 h ARG 56 Cb 0.34 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2j46 h ARG 56 CO -0.28 -0.11 0.19 0.93 -1.51 0.00 0.00 179.97 179.18 2j46 h GLU 57 N -0.18 0.49 -0.35 0.20 5.08 -0.18 -1.27 114.58 118.38 2j46 h GLU 57 Ca 0.08 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 2j46 h GLU 57 Cb 0.30 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2j46 h GLU 57 CO -0.21 0.42 -0.38 0.93 -1.00 0.00 0.00 179.01 178.77 2j46 h GLU 58 N 0.44 0.83 -0.51 2.33 4.39 -0.77 -0.78 114.58 120.51 2j46 h GLU 58 Ca 0.12 -0.43 -0.08 0.00 0.34 0.00 0.00 59.36 59.32 2j46 h GLU 58 Cb 0.07 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 2j46 h GLU 58 CO -0.02 1.06 0.02 0.00 -1.16 0.00 0.00 179.01 178.92 2j46 h ALA 59 N 0.88 0.69 -0.37 3.43 0.00 -0.59 -1.53 119.26 121.77 2j46 h ALA 59 Ca 0.06 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 2j46 h ALA 59 Cb 0.95 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2j46 h ALA 59 CO 0.09 0.48 -0.14 -0.07 0.00 0.00 0.00 179.25 179.61 2j46 h LEU 60 N 0.76 0.66 -1.90 0.00 3.38 -1.13 -1.15 115.31 115.93 2j46 h LEU 60 Ca 0.15 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2j46 h LEU 60 Cb 0.49 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2j46 h LEU 60 CO 0.02 0.81 -0.11 1.23 0.09 0.00 0.00 178.44 180.49 2j46 h GLY 61 N 0.97 0.00 -2.60 0.83 0.00 -0.80 -1.15 103.07 100.32 2j46 h GLY 61 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2j46 h GLY 61 CO 0.04 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.86 2j46 n LYS 62 N -4.16 3.36 -3.71 4.80 5.02 -0.61 -4.94 118.16 117.93 2j46 n LYS 62 Ca -0.03 -2.19 -0.24 0.00 -2.02 0.00 0.00 58.31 53.83 2j46 n LYS 62 Cb 0.19 -1.87 0.05 0.00 -0.02 0.00 0.00 35.03 33.38 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 0.65 -5.84 -0.14 1.97 3.00 -0.44 -4.86 117.38 111.72 2j46 n GLN 63 Ca 0.20 0.68 0.16 0.00 -0.01 0.00 0.00 57.00 58.03 2j46 n GLN 63 Cb 0.79 -5.49 0.53 0.00 0.00 0.00 0.00 30.24 26.08 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 -2.08 0.79 0.00 5.09 3.04 -1.43 -0.27 116.25 121.40 2j46 h VAL 64 Ca -0.59 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 2j46 h VAL 64 Cb 1.36 0.40 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 2j46 h VAL 64 CO 0.59 0.06 0.00 0.18 -1.01 0.00 0.00 177.57 177.39 2j46 n LEU 65 N -4.46 0.63 -0.00 3.16 4.77 -1.26 -2.95 117.00 116.89 2j46 n LEU 65 Ca 0.14 0.59 0.11 0.00 -0.03 0.00 0.00 56.01 56.82 2j46 n LEU 65 Cb 0.54 -0.44 -0.13 0.00 -2.33 0.00 0.00 43.42 41.06 2j46 n LEU 65 CO 0.33 -0.29 -0.42 -0.62 -1.33 0.00 0.00 177.39 175.06 2j46 n GLU 66 N -2.13 0.38 -2.13 3.23 1.02 -0.17 -4.70 120.64 116.14 2j46 n GLU 66 Ca 0.04 -0.10 -0.41 0.00 -0.02 0.00 0.00 57.16 56.67 2j46 n GLU 66 Cb 0.34 -1.52 -0.02 0.00 -0.02 0.00 0.00 31.44 30.21 2j46 n GLU 66 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2j46 s SER 67 N -3.91 6.79 0.20 1.62 0.15 -0.82 -4.92 113.70 112.81 2j46 s SER 67 Ca -0.01 2.66 0.25 0.00 0.70 0.00 0.00 55.95 59.56 2j46 s SER 67 Cb 0.15 -2.65 0.88 0.00 -1.71 0.00 0.00 66.02 62.70 2j46 s SER 67 CO 0.88 -0.53 1.77 0.18 1.20 0.00 0.00 173.24 176.74 2j46 n LEU 68 N 0.97 0.69 -3.08 3.45 4.77 -1.26 -4.10 117.00 118.44 2j46 n LEU 68 Ca 0.01 0.59 -0.25 0.00 -0.03 0.00 0.00 56.01 56.33 2j46 n LEU 68 Cb 0.42 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 2j46 n LEU 68 CO 0.59 -0.26 0.02 0.35 -1.33 0.00 0.00 177.39 176.76 2j46 n THR 69 N -2.17 1.98 0.26 -5.08 -2.24 -1.26 -4.43 114.28 101.34 2j46 n THR 69 Ca 0.05 -5.21 0.09 0.00 -2.27 0.00 0.00 64.05 56.71 2j46 n THR 69 Cb 0.37 -1.25 0.67 0.00 -2.10 0.00 0.00 70.33 68.02 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 3.20 0.00 -0.85 -0.78 0.13 -1.80 -1.32 132.00 130.57 2j46 h PRO 70 Ca 0.13 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.30 2j46 h PRO 70 Cb 0.66 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.74 2j46 h PRO 70 CO 0.72 0.00 0.56 0.00 -0.23 0.00 0.00 178.00 179.06 2j46 h ALA 71 N 2.00 1.51 -0.47 -0.56 0.00 -1.86 -0.52 119.26 119.35 2j46 h ALA 71 Ca -0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 2j46 h ALA 71 Cb 0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2j46 h ALA 71 CO 0.00 0.39 -0.16 0.93 0.00 0.00 0.00 179.25 180.41 2j46 h GLU 72 N 1.02 0.90 -0.51 0.00 4.39 -1.62 0.08 114.58 118.84 2j46 h GLU 72 Ca 0.35 -0.34 -0.05 0.00 0.34 0.00 0.00 59.36 59.66 2j46 h GLU 72 Cb 0.10 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2j46 h GLU 72 CO -0.11 0.99 0.14 0.28 -1.16 0.00 0.00 179.01 179.15 2j46 h VAL 73 N 0.79 1.24 -0.03 3.13 2.07 -1.24 -1.24 116.25 120.97 2j46 h VAL 73 Ca 0.12 -0.83 -0.17 0.00 0.82 0.00 0.00 66.70 66.64 2j46 h VAL 73 Cb 0.70 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2j46 h VAL 73 CO 0.05 0.30 -0.74 0.40 0.02 0.00 0.00 177.57 177.61 2j46 h ILE 74 N 0.71 1.45 -0.02 4.57 2.04 -1.04 -1.77 117.51 123.45 2j46 h ILE 74 Ca 0.16 -2.32 0.01 0.00 1.00 0.00 0.00 64.86 63.71 2j46 h ILE 74 Cb 0.31 2.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 2j46 h ILE 74 CO -0.00 0.68 -0.05 0.25 0.00 0.00 0.00 178.15 179.03 2j46 h LEU 75 N 0.12 -0.15 -0.91 1.44 5.85 -0.84 -0.89 115.31 119.94 2j46 h LEU 75 Ca -0.02 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2j46 h LEU 75 Cb 1.30 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.37 2j46 h LEU 75 CO 0.11 -0.07 0.27 0.00 -0.34 0.00 0.00 178.44 178.40 2j46 h ALA 76 N 0.93 1.13 0.03 1.25 0.00 -1.01 -0.27 119.26 121.32 2j46 h ALA 76 Ca 0.03 -0.19 -0.23 0.00 0.00 0.00 0.00 54.91 54.52 2j46 h ALA 76 Cb 0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2j46 h ALA 76 CO -0.07 0.62 -0.99 1.15 0.00 0.00 0.00 179.25 179.96 2j46 h THR 77 N 1.03 1.45 -0.39 0.00 2.02 -1.27 -2.03 112.91 113.72 2j46 h THR 77 Ca 0.24 -2.64 -0.16 0.00 0.77 0.00 0.00 66.41 64.62 2j46 h THR 77 Cb 0.22 2.55 -0.01 0.00 -1.74 0.00 0.00 68.15 69.17 2j46 h THR 77 CO -0.02 0.78 -0.37 0.58 0.37 0.00 0.00 175.52 176.86 2j46 h VAL 78 N 0.16 1.27 -0.69 3.16 2.07 -1.06 -2.42 116.25 118.75 2j46 h VAL 78 Ca -0.08 -1.54 -0.00 0.00 0.82 0.00 0.00 66.70 65.90 2j46 h VAL 78 Cb 1.64 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 32.73 2j46 h VAL 78 CO 0.16 0.52 0.42 0.22 0.02 0.00 0.00 177.57 178.91 2j46 h TYR 79 N 0.77 0.89 -0.36 1.57 3.20 -0.99 0.95 116.97 123.01 2j46 h TYR 79 Ca 0.07 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.82 2j46 h TYR 79 Cb 0.96 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 2j46 h TYR 79 CO 0.06 0.60 -0.27 1.49 -1.64 0.00 0.00 178.16 178.40 2j46 h GLU 80 N 0.93 0.73 -0.23 1.82 4.57 -1.38 -1.37 114.58 119.66 2j46 h GLU 80 Ca 0.25 -0.32 -0.20 0.00 -1.18 0.00 0.00 59.36 57.92 2j46 h GLU 80 Cb -0.05 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 2j46 h GLU 80 CO -0.05 0.92 -0.63 0.00 -1.18 0.00 0.00 179.01 178.08 2j46 h ALA 81 N 1.07 0.45 -0.08 2.92 0.00 -1.05 -1.99 119.26 120.57 2j46 h ALA 81 Ca 0.08 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 2j46 h ALA 81 Cb 0.78 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2j46 h ALA 81 CO 0.06 0.69 0.04 -0.07 0.00 0.00 0.00 179.25 179.97 2j46 h LEU 82 N 0.59 0.11 -0.45 0.00 3.38 -0.78 -0.50 115.31 117.64 2j46 h LEU 82 Ca -0.01 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 57.92 2j46 h LEU 82 Cb 1.24 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.90 2j46 h LEU 82 CO 0.13 0.18 0.13 0.50 0.09 0.00 0.00 178.44 179.48 2j46 h LYS 83 N 0.02 0.28 0.15 1.13 3.64 -1.22 -1.25 116.57 119.33 2j46 h LYS 83 Ca 0.03 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2j46 h LYS 83 Cb 0.10 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2j46 h LYS 83 CO -0.00 0.19 -0.07 1.49 -2.27 0.00 0.00 179.45 178.78 2j46 h GLU 84 N 0.29 -0.20 -0.66 1.90 4.57 -1.26 0.52 114.58 119.73 2j46 h GLU 84 Ca 0.22 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.49 2j46 h GLU 84 Cb 0.24 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.84 2j46 h GLU 84 CO -0.25 -0.13 0.44 0.00 -1.18 0.00 0.00 179.01 177.90 2j46 h ALA 85 N 0.63 1.82 -0.00 2.92 0.00 -0.71 -0.69 119.26 123.22 2j46 h ALA 85 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2j46 h ALA 85 Cb 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2j46 h ALA 85 CO 0.03 0.06 -0.02 1.28 0.00 0.00 0.00 179.25 180.61 2j46 n LEU 86 N -4.48 0.04 0.00 0.00 4.77 -0.51 -4.29 117.00 112.53 2j46 n LEU 86 Ca 0.10 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 2j46 n LEU 86 Cb 0.27 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 2j46 n LEU 86 CO 0.34 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2j46 n GLY 87 N 1.41 0.82 2.72 -0.72 0.00 -0.27 -4.72 105.19 104.43 2j46 n GLY 87 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 2.16 3.27 -0.02 0.00 0.15 -4.82 105.19 105.93 2j46 n GLY 88 Ca 0.00 -0.32 -0.16 0.00 0.00 0.00 0.00 46.02 45.54 2j46 n GLY 88 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2j46 s GLU 89 N 0.00 1.12 0.40 1.61 1.03 -1.26 -4.57 118.70 117.03 2j46 s GLU 89 Ca 0.00 -1.43 -0.27 0.00 0.03 0.00 0.00 54.97 53.30 2j46 s GLU 89 Cb 0.00 -0.83 -0.10 0.00 -0.80 0.00 0.00 34.13 32.41 2j46 s GLU 89 CO 0.00 0.13 1.45 0.00 -1.33 0.00 0.00 175.26 175.51 2j46 s ALA 90 N -2.90 3.44 0.01 -0.84 0.00 -1.26 -4.83 121.76 115.37 2j46 s ALA 90 Ca 0.16 1.51 0.03 0.00 0.00 0.00 0.00 51.96 53.66 2j46 s ALA 90 Cb -0.00 -3.59 -0.01 0.00 0.00 0.00 0.00 23.12 19.51 2j46 s ALA 90 CO 0.03 -1.08 -0.10 1.03 0.00 0.00 0.00 175.76 175.64 2j46 s ARG 91 N -2.22 0.71 0.06 0.00 0.52 -1.26 -5.09 118.95 111.68 2j46 s ARG 91 Ca 0.56 -0.48 0.01 0.00 -0.52 0.00 0.00 55.73 55.29 2j46 s ARG 91 Cb -0.45 -0.67 -0.04 0.00 0.52 0.00 0.00 34.95 34.32 2j46 s ARG 91 CO 0.60 0.17 -0.05 -0.51 0.02 0.00 0.00 175.30 175.53 2j46 s LEU 92 N -0.65 2.43 0.57 2.53 1.43 -1.26 -4.46 118.68 119.27 2j46 s LEU 92 Ca 0.01 -0.87 -0.21 0.00 -1.03 0.00 0.00 54.13 52.03 2j46 s LEU 92 Cb -0.05 0.02 -0.04 0.00 0.03 0.00 0.00 46.19 46.15 2j46 s LEU 92 CO 0.00 -0.44 1.33 -2.84 0.23 0.00 0.00 176.35 174.62 2j46 s PRO 93 N -3.19 3.03 -0.00 1.29 0.02 -1.26 -4.93 135.00 129.95 2j46 s PRO 93 Ca 0.03 2.15 -0.30 0.00 0.02 0.00 0.00 61.00 62.91 2j46 s PRO 93 Cb 0.02 -2.15 -0.04 0.00 0.02 0.00 0.00 34.50 32.35 2j46 s PRO 93 CO -0.05 -1.25 1.07 0.08 -0.33 0.00 0.00 177.00 176.52 2j46 s VAL 94 N -1.35 4.54 -0.16 3.83 1.01 -1.26 -5.02 120.40 121.99 2j46 s VAL 94 Ca 0.74 1.82 -0.18 0.00 0.00 0.00 0.00 61.98 64.36 2j46 s VAL 94 Cb -0.39 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 31.79 2j46 s VAL 94 CO 0.45 0.11 0.48 -0.76 0.00 0.00 0.00 175.10 175.37 2j46 s LEU 95 N 1.29 4.21 0.00 3.92 1.43 -1.26 -5.08 118.68 123.19 2j46 s LEU 95 Ca 0.54 0.71 0.05 0.00 -1.03 0.00 0.00 54.13 54.40 2j46 s LEU 95 Cb -0.24 -2.67 0.05 0.00 0.03 0.00 0.00 46.19 43.36 2j46 s LEU 95 CO 0.26 -0.07 0.38 0.29 0.23 0.00 0.00 176.35 177.44 2j46 n LYS 96 N 4.19 0.82 -0.25 1.70 4.76 -1.26 -5.04 118.16 123.08 2j46 n LYS 96 Ca -0.06 -2.72 -0.02 0.00 -2.87 0.00 0.00 58.31 52.64 2j46 n LYS 96 Cb 0.51 0.22 0.17 0.00 -1.84 0.00 0.00 35.03 34.10 2j46 n LYS 96 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2j46 h ASP 97 N 0.46 0.95 -4.15 4.39 3.45 -1.98 -3.42 116.42 116.12 2j46 h ASP 97 Ca -0.27 -0.07 -0.52 0.00 0.43 0.00 0.00 57.03 56.59 2j46 h ASP 97 Cb 1.02 -0.24 -0.30 0.00 -0.56 0.00 0.00 39.33 39.25 2j46 h ASP 97 CO 0.42 0.76 -0.82 -0.13 -1.57 0.00 0.00 179.24 177.89 2j46 s ARG 98 N -5.73 1.38 -0.01 3.56 0.52 -1.26 -4.80 118.95 112.62 2j46 s ARG 98 Ca -0.11 -0.56 -0.00 0.00 -0.52 0.00 0.00 55.73 54.53 2j46 s ARG 98 Cb 0.17 -1.30 0.01 0.00 0.52 0.00 0.00 34.95 34.35 2j46 s ARG 98 CO 0.80 0.30 0.01 -0.80 0.02 0.00 0.00 175.30 175.64 2j46 s ASN 99 N -0.24 0.00 -0.13 0.23 0.01 -1.00 -5.03 114.94 108.79 2j46 s ASN 99 Ca 0.03 0.02 -0.02 0.00 -0.71 0.00 0.00 52.86 52.19 2j46 s ASN 99 Cb -0.08 0.00 0.04 0.00 0.41 0.00 0.00 41.25 41.63 2j46 s ASN 99 CO 0.00 -0.03 0.01 -0.22 -1.51 0.00 0.00 177.10 175.35 2j46 s LEU 100 N 0.22 0.88 0.02 0.60 0.20 -1.26 -0.79 118.68 118.55 2j46 s LEU 100 Ca -0.02 -0.41 0.08 0.00 0.69 0.00 0.00 54.13 54.48 2j46 s LEU 100 Cb -0.03 -0.54 -0.03 0.00 -0.43 0.00 0.00 46.19 45.17 2j46 s LEU 100 CO -0.01 -0.23 -0.25 0.26 -0.29 0.00 0.00 176.35 175.83 2j46 s TRP 101 N 1.91 2.37 0.12 5.38 0.51 0.29 -0.54 118.94 128.98 2j46 s TRP 101 Ca 0.03 -0.39 -0.07 0.00 -2.12 0.00 0.00 56.10 53.54 2j46 s TRP 101 Cb -0.14 -1.44 -0.06 0.00 -0.81 0.00 0.00 33.47 31.02 2j46 s TRP 101 CO -0.07 0.10 0.40 -0.06 -0.51 0.00 0.00 176.95 176.81 2j46 s PHE 102 N -0.76 3.52 -0.21 -1.98 0.40 -0.55 -0.84 117.98 117.56 2j46 s PHE 102 Ca 0.12 0.68 -0.04 0.00 -0.60 0.00 0.00 56.93 57.10 2j46 s PHE 102 Cb -0.10 -2.09 -0.01 0.00 0.51 0.00 0.00 43.02 41.33 2j46 s PHE 102 CO 0.02 0.46 -0.05 -0.51 0.70 0.00 0.00 175.22 175.83 2j46 s LEU 103 N -2.34 2.89 0.26 -0.37 2.01 0.26 -0.67 118.68 120.71 2j46 s LEU 103 Ca 0.38 -0.38 0.09 0.00 0.01 0.00 0.00 54.13 54.23 2j46 s LEU 103 Cb -0.13 -1.73 -0.05 0.00 0.01 0.00 0.00 46.19 44.29 2j46 s LEU 103 CO 0.21 0.00 -0.13 0.68 1.01 0.00 0.00 176.35 178.12 2j46 s VAL 104 N 1.33 1.97 0.00 -1.59 -7.23 -0.31 -2.08 120.40 112.50 2j46 s VAL 104 Ca 0.04 -2.25 0.00 0.00 -1.81 0.00 0.00 61.98 57.96 2j46 s VAL 104 Cb -0.14 -2.27 0.00 0.00 0.56 0.00 0.00 36.38 34.53 2j46 s VAL 104 CO -0.02 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 174.94 2j46 n GLY 105 N -0.53 1.11 3.87 2.32 0.00 -1.26 -0.98 105.19 109.71 2j46 n GLY 105 Ca -0.06 -1.56 -0.31 0.00 0.00 0.00 0.00 46.02 44.09 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 3.63 0.27 0.99 1.43 -1.26 -4.40 118.68 119.33 2j46 s LEU 106 Ca 0.00 1.32 -0.31 0.00 -1.03 0.00 0.00 54.13 54.11 2j46 s LEU 106 Cb 0.00 -4.26 -0.12 0.00 0.03 0.00 0.00 46.19 41.84 2j46 s LEU 106 CO 0.00 -0.57 1.62 1.67 0.23 0.00 0.00 176.35 179.30 2j46 n GLN 107 N -1.77 2.68 0.00 1.70 -0.06 0.27 -2.02 117.38 118.18 2j46 n GLN 107 Ca 0.04 0.96 0.00 0.00 -2.00 0.00 0.00 57.00 56.00 2j46 n GLN 107 Cb 0.54 -2.75 0.00 0.00 -4.06 0.00 0.00 30.24 23.97 2j46 n GLN 107 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2j46 n GLY 108 N 2.66 0.72 0.11 1.69 0.00 -1.26 -4.63 105.19 104.48 2j46 n GLY 108 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 0.80 0.00 1.61 3.41 -0.86 -4.83 113.62 113.75 2j46 n SER 109 Ca 0.00 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 2j46 n SER 109 Cb 0.00 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 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 1.12 0.59 0.09 5.00 0.00 -1.26 -4.19 105.19 106.55 2j46 n GLY 110 Ca 0.05 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 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 0.78 -0.01 -0.22 1.61 3.64 -1.90 0.73 116.57 121.21 2j46 h LYS 111 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 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 -0.03 1.15 -2.27 0.00 0.00 179.45 178.29 2j46 h THR 112 N -0.01 1.28 -0.53 1.00 2.02 -1.94 -0.46 112.91 114.27 2j46 h THR 112 Ca 0.08 -0.99 0.03 0.00 0.77 0.00 0.00 66.41 66.29 2j46 h THR 112 Cb 0.12 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 2j46 h THR 112 CO -0.17 0.31 0.31 0.74 0.37 0.00 0.00 175.52 177.08 2j46 h THR 113 N 0.16 1.04 -0.99 3.16 2.02 -1.94 -2.26 112.91 114.09 2j46 h THR 113 Ca 0.06 -0.21 0.05 0.00 0.77 0.00 0.00 66.41 67.08 2j46 h THR 113 Cb 0.47 0.37 -0.06 0.00 -1.74 0.00 0.00 68.15 67.20 2j46 h THR 113 CO 0.02 0.11 0.65 0.74 0.37 0.00 0.00 175.52 177.41 2j46 h THR 114 N 0.61 1.14 -0.37 3.16 2.02 -0.52 -0.43 112.91 118.53 2j46 h THR 114 Ca 0.22 -0.42 0.03 0.00 0.77 0.00 0.00 66.41 67.01 2j46 h THR 114 Cb 0.04 -0.19 -0.04 0.00 -1.74 0.00 0.00 68.15 66.23 2j46 h THR 114 CO -0.10 0.22 0.16 0.00 0.37 0.00 0.00 175.52 176.17 2j46 h ALA 115 N 1.44 0.45 -0.48 6.16 0.00 -0.50 0.21 119.26 126.53 2j46 h ALA 115 Ca 0.41 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.28 2j46 h ALA 115 Cb 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2j46 h ALA 115 CO -0.14 -0.22 0.04 0.00 0.00 0.00 0.00 179.25 178.93 2j46 h ALA 116 N 1.21 0.64 -0.74 0.00 0.00 -1.09 -1.65 119.26 117.63 2j46 h ALA 116 Ca 0.16 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2j46 h ALA 116 Cb 0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2j46 h ALA 116 CO -0.14 0.40 0.32 0.87 0.00 0.00 0.00 179.25 180.71 2j46 h LYS 117 N 0.68 1.08 -0.21 0.00 1.57 -0.69 -1.67 116.57 117.34 2j46 h LYS 117 Ca 0.14 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2j46 h LYS 117 Cb 0.44 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2j46 h LYS 117 CO 0.02 0.86 0.09 -0.07 -0.57 0.00 0.00 179.45 179.78 2j46 h LEU 118 N 1.07 0.28 -0.65 2.94 3.38 -0.46 -0.48 115.31 121.38 2j46 h LEU 118 Ca 0.25 -0.14 0.10 0.00 0.09 0.00 0.00 57.88 58.18 2j46 h LEU 118 Cb 0.16 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.76 2j46 h LEU 118 CO -0.03 0.35 0.26 0.00 0.09 0.00 0.00 178.44 179.11 2j46 h ALA 119 N 0.94 0.87 -0.59 1.53 0.00 -0.90 -0.17 119.26 120.94 2j46 h ALA 119 Ca 0.07 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2j46 h ALA 119 Cb 0.15 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2j46 h ALA 119 CO -0.01 -0.17 0.00 1.25 0.00 0.00 0.00 179.25 180.32 2j46 h LEU 120 N 0.44 1.03 -0.23 0.00 5.85 -1.10 -0.86 115.31 120.44 2j46 h LEU 120 Ca 0.34 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.77 2j46 h LEU 120 Cb 0.43 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2j46 h LEU 120 CO -0.32 1.08 0.11 0.22 -0.34 0.00 0.00 178.44 179.19 2j46 h TYR 121 N 0.94 0.20 0.00 1.25 3.20 0.14 -1.73 116.97 120.98 2j46 h TYR 121 Ca 0.17 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.93 2j46 h TYR 121 Cb 0.55 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 2j46 h TYR 121 CO 0.04 0.11 -0.56 1.88 -1.64 0.00 0.00 178.16 177.99 2j46 h TYR 122 N 0.23 0.00 0.00 -3.82 0.05 -0.91 -2.75 116.97 109.77 2j46 h TYR 122 Ca 0.10 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.82 2j46 h TYR 122 Cb 0.03 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 2j46 h TYR 122 CO -0.10 0.56 -0.27 -0.22 -1.05 0.00 0.00 178.16 177.08 2j46 h LYS 123 N 0.00 0.00 0.00 4.88 3.64 -0.87 -0.79 116.57 123.43 2j46 h LYS 123 Ca -0.01 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 2j46 h LYS 123 Cb 1.13 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 2j46 h LYS 123 CO 0.07 0.27 -0.25 0.78 -2.27 0.00 0.00 179.45 178.05 2j46 h GLY 124 N 2.50 0.00 -2.19 5.01 0.00 -1.03 -3.18 103.07 104.18 2j46 h GLY 124 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2j46 h GLY 124 CO 0.03 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.85 2j46 n LYS 125 N -3.73 2.45 -0.04 4.80 4.76 -0.68 -4.94 118.16 120.78 2j46 n LYS 125 Ca -0.01 -2.11 0.00 0.00 -2.87 0.00 0.00 58.31 53.32 2j46 n LYS 125 Cb 0.35 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 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 1.36 0.42 3.90 0.72 0.00 -1.01 -5.06 105.19 105.51 2j46 n GLY 126 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.94 2.60 -0.77 1.61 1.81 -0.39 -4.99 118.95 117.86 2j46 s ARG 127 Ca 0.00 0.26 0.03 0.00 -1.72 0.00 0.00 55.73 54.30 2j46 s ARG 127 Cb 0.00 -2.05 0.19 0.00 -0.45 0.00 0.00 34.95 32.64 2j46 s ARG 127 CO 0.00 -1.15 0.61 0.54 -0.68 0.00 0.00 175.30 174.63 2j46 n ARG 128 N -3.02 2.16 -2.20 3.54 1.74 -1.26 -4.25 116.66 113.36 2j46 n ARG 128 Ca 0.07 -4.50 -0.32 0.00 -0.77 0.00 0.00 57.85 52.33 2j46 n ARG 128 Cb 0.58 -2.33 -0.02 0.00 -1.02 0.00 0.00 32.46 29.68 2j46 n ARG 128 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2j46 s PRO 129 N -1.51 3.80 -0.07 5.56 0.05 -1.26 -0.51 135.00 141.06 2j46 s PRO 129 Ca 0.27 0.90 0.00 0.00 0.05 0.00 0.00 61.00 62.22 2j46 s PRO 129 Cb -0.04 -2.11 0.02 0.00 0.05 0.00 0.00 34.50 32.42 2j46 s PRO 129 CO -0.15 -0.40 -0.05 -1.17 0.05 0.00 0.00 177.00 175.28 2j46 s LEU 130 N -4.46 1.18 0.06 -3.56 2.96 0.14 -4.35 118.68 110.65 2j46 s LEU 130 Ca 0.58 -0.19 -0.18 0.00 -0.22 0.00 0.00 54.13 54.12 2j46 s LEU 130 Cb -0.11 -0.60 -0.06 0.00 0.50 0.00 0.00 46.19 45.92 2j46 s LEU 130 CO 0.39 -0.09 0.53 -0.76 -1.32 0.00 0.00 176.35 175.10 2j46 s LEU 131 N 1.30 4.52 -0.15 -0.68 1.43 -0.34 -0.71 118.68 124.05 2j46 s LEU 131 Ca -0.04 1.19 0.00 0.00 -1.03 0.00 0.00 54.13 54.25 2j46 s LEU 131 Cb -0.14 -2.82 0.02 0.00 0.03 0.00 0.00 46.19 43.28 2j46 s LEU 131 CO -0.02 0.29 -0.14 -0.69 0.23 0.00 0.00 176.35 176.01 2j46 s VAL 132 N -1.11 1.56 -0.63 -1.59 1.01 -0.12 -0.77 120.40 118.75 2j46 s VAL 132 Ca 0.28 -0.62 -0.21 0.00 0.00 0.00 0.00 61.98 61.43 2j46 s VAL 132 Cb -0.19 -1.46 0.09 0.00 0.00 0.00 0.00 36.38 34.82 2j46 s VAL 132 CO 0.18 0.46 0.85 0.00 0.00 0.00 0.00 175.10 176.58 2j46 s ALA 133 N 1.49 3.25 -1.12 5.51 0.00 0.13 -0.71 121.76 130.31 2j46 s ALA 133 Ca 0.05 -2.02 0.18 0.00 0.00 0.00 0.00 51.96 50.17 2j46 s ALA 133 Cb -0.13 -3.72 0.64 0.00 0.00 0.00 0.00 23.12 19.92 2j46 s ALA 133 CO -0.11 -2.59 1.55 0.00 0.00 0.00 0.00 175.76 174.61 2j46 n ALA 134 N 7.10 2.86 -2.55 0.00 0.00 -0.54 -1.57 120.51 125.81 2j46 n ALA 134 Ca -0.06 -1.57 -0.41 0.00 0.00 0.00 0.00 53.44 51.40 2j46 n ALA 134 Cb 0.44 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.03 6.18 0.00 0.00 -1.08 -1.26 -4.57 116.67 114.91 2j46 s ASP 135 Ca 0.46 -0.54 0.21 0.00 -0.52 0.00 0.00 52.55 52.16 2j46 s ASP 135 Cb 0.29 -2.56 1.13 0.00 -1.46 0.00 0.00 42.92 40.33 2j46 s ASP 135 CO 0.23 -1.81 1.63 0.35 0.52 0.00 0.00 175.17 176.09 2j46 n THR 136 N 6.44 0.20 0.05 1.71 -2.24 -1.26 -3.57 114.28 115.60 2j46 n THR 136 Ca 0.06 0.05 0.05 0.00 -2.27 0.00 0.00 64.05 61.94 2j46 n THR 136 Cb 0.49 -0.72 -0.08 0.00 -2.10 0.00 0.00 70.33 67.93 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 -1.14 0.67 -3.74 -0.78 6.02 -1.26 -1.78 117.38 115.37 2j46 n GLN 137 Ca 0.13 -0.08 -0.29 0.00 -0.01 0.00 0.00 57.00 56.74 2j46 n GLN 137 Cb 0.12 -1.21 -0.13 0.00 1.02 0.00 0.00 30.24 30.03 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 -2.62 1.38 0.38 -1.09 0.52 -1.23 -4.98 118.95 111.30 2j46 s ARG 138 Ca -0.03 -2.10 0.13 0.00 -0.52 0.00 0.00 55.73 53.22 2j46 s ARG 138 Cb 0.07 -2.45 0.95 0.00 0.52 0.00 0.00 34.95 34.04 2j46 s ARG 138 CO 0.42 -1.16 1.85 -1.35 0.02 0.00 0.00 175.30 175.08 2j46 h PRO 139 N 6.66 0.53 -0.02 3.54 0.11 -1.92 -1.40 132.00 139.51 2j46 h PRO 139 Ca -0.01 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.99 2j46 h PRO 139 Cb 0.92 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 2j46 h PRO 139 CO 0.51 0.35 -0.37 0.00 -0.21 0.00 0.00 178.00 178.27 2j46 h ALA 140 N 1.61 1.34 -0.32 -0.75 0.00 -1.96 -1.03 119.26 118.15 2j46 h ALA 140 Ca 0.48 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 2j46 h ALA 140 Cb 0.99 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2j46 h ALA 140 CO -0.22 0.49 -0.44 0.00 0.00 0.00 0.00 179.25 179.08 2j46 h ALA 141 N 1.59 0.60 -0.47 0.00 0.00 -1.66 -2.16 119.26 117.16 2j46 h ALA 141 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2j46 h ALA 141 Cb 0.68 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2j46 h ALA 141 CO 0.05 0.68 0.25 0.00 0.00 0.00 0.00 179.25 180.23 2j46 h ARG 142 N 0.67 0.66 -0.28 0.00 3.08 -1.18 -2.95 114.38 114.38 2j46 h ARG 142 Ca 0.04 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2j46 h ARG 142 Cb 1.02 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 2j46 h ARG 142 CO 0.10 0.53 0.09 0.93 -1.07 0.00 0.00 179.97 180.56 2j46 h GLU 143 N 0.62 0.39 -0.34 0.04 4.39 -1.04 -1.30 114.58 117.35 2j46 h GLU 143 Ca 0.17 -0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.72 2j46 h GLU 143 Cb 0.07 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2j46 h GLU 143 CO -0.03 0.35 -0.18 1.96 -1.16 0.00 0.00 179.01 179.96 2j46 h GLN 144 N 0.40 0.63 -0.26 2.33 1.08 -1.22 -1.16 115.11 116.90 2j46 h GLN 144 Ca 0.10 -0.22 -0.19 0.00 -1.45 0.00 0.00 58.65 56.89 2j46 h GLN 144 Cb 0.12 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 2j46 h GLN 144 CO -0.01 0.77 -0.58 1.25 -0.95 0.00 0.00 178.83 179.31 2j46 h LEU 145 N 0.57 0.97 -0.50 1.46 5.85 -1.33 -2.50 115.31 119.83 2j46 h LEU 145 Ca 0.09 -0.55 0.06 0.00 0.84 0.00 0.00 57.88 58.32 2j46 h LEU 145 Cb 0.62 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 2j46 h LEU 145 CO 0.04 1.34 0.20 -0.09 -0.34 0.00 0.00 178.44 179.60 2j46 h ARG 146 N 0.64 0.38 -0.57 1.25 2.43 -0.87 0.14 114.38 117.79 2j46 h ARG 146 Ca 0.00 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 2j46 h ARG 146 Cb 1.20 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.64 2j46 h ARG 146 CO 0.13 0.25 0.17 -0.07 -1.51 0.00 0.00 179.97 178.94 2j46 h LEU 147 N 0.40 0.83 -0.33 3.80 4.07 -1.22 -0.42 115.31 122.43 2j46 h LEU 147 Ca 0.23 -0.21 -0.16 0.00 0.08 0.00 0.00 57.88 57.82 2j46 h LEU 147 Cb 0.22 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 41.74 2j46 h LEU 147 CO -0.22 0.82 -0.42 -0.07 -1.08 0.00 0.00 178.44 177.48 2j46 h LEU 148 N 0.80 0.94 -0.01 1.67 3.38 -1.06 -1.59 115.31 119.45 2j46 h LEU 148 Ca 0.18 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 2j46 h LEU 148 Cb 0.29 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2j46 h LEU 148 CO -0.00 1.25 -0.00 1.23 0.09 0.00 0.00 178.44 181.00 2j46 h GLY 149 N 0.66 0.01 1.76 0.83 0.00 -0.61 -2.88 103.07 102.84 2j46 h GLY 149 Ca 0.04 -0.01 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 2j46 h GLY 149 CO 0.10 0.01 -0.08 0.83 0.00 0.00 0.00 176.54 177.40 2j46 h GLU 150 N -0.32 0.30 -0.67 4.80 5.08 -1.06 -1.22 114.58 121.49 2j46 h GLU 150 Ca 0.00 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2j46 h GLU 150 Cb 0.33 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 2j46 h GLU 150 CO 0.00 0.40 0.41 -0.22 -1.00 0.00 0.00 179.01 178.60 2j46 h LYS 151 N 0.29 0.89 -0.17 2.33 3.64 -1.22 -2.07 116.57 120.25 2j46 h LYS 151 Ca 0.06 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2j46 h LYS 151 Cb 0.33 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2j46 h LYS 151 CO 0.02 0.62 0.00 1.33 -2.27 0.00 0.00 179.45 179.14 2j46 n VAL 152 N -4.41 0.22 -2.31 2.00 0.24 -0.53 -4.95 118.33 108.58 2j46 n VAL 152 Ca 0.07 -0.41 -0.05 0.00 -2.04 0.00 0.00 64.34 61.91 2j46 n VAL 152 Cb 0.06 0.57 0.00 0.00 -1.47 0.00 0.00 33.84 33.01 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 1.22 0.35 3.26 7.63 0.00 -0.78 -4.93 105.19 111.93 2j46 n GLY 153 Ca 0.17 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.52 2.18 0.66 1.61 1.01 -0.78 -5.01 120.40 117.54 2j46 s VAL 154 Ca 0.04 -1.00 -0.16 0.00 0.00 0.00 0.00 61.98 60.87 2j46 s VAL 154 Cb -0.02 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.54 2j46 s VAL 154 CO 0.05 0.56 1.14 -2.16 0.00 0.00 0.00 175.10 174.70 2j46 s PRO 155 N 0.06 2.72 -0.06 2.72 0.04 -1.26 -3.57 135.00 135.65 2j46 s PRO 155 Ca -0.10 1.52 0.01 0.00 0.04 0.00 0.00 61.00 62.47 2j46 s PRO 155 Cb -0.16 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.47 2j46 s PRO 155 CO 0.06 -1.33 -0.09 0.08 0.04 0.00 0.00 177.00 175.76 2j46 s VAL 156 N -2.16 0.88 -0.20 -0.36 1.01 -1.26 -1.20 120.40 117.11 2j46 s VAL 156 Ca 0.70 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 62.30 2j46 s VAL 156 Cb -0.23 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 2j46 s VAL 156 CO 0.40 0.30 0.05 -0.22 0.00 0.00 0.00 175.10 175.64 2j46 s LEU 157 N 0.88 3.60 -0.21 3.92 0.20 0.05 -4.99 118.68 122.13 2j46 s LEU 157 Ca -0.11 -0.05 -0.11 0.00 0.69 0.00 0.00 54.13 54.55 2j46 s LEU 157 Cb -0.15 -1.92 -0.05 0.00 -0.43 0.00 0.00 46.19 43.64 2j46 s LEU 157 CO 0.01 0.10 0.16 -1.61 -0.29 0.00 0.00 176.35 174.72 2j46 s GLU 158 N 0.81 4.15 0.80 1.98 2.02 -1.26 -0.69 118.70 126.52 2j46 s GLU 158 Ca 0.03 -0.21 -0.10 0.00 0.02 0.00 0.00 54.97 54.71 2j46 s GLU 158 Cb -0.14 -3.46 0.07 0.00 0.10 0.00 0.00 34.13 30.70 2j46 s GLU 158 CO 0.02 0.21 1.10 0.14 0.02 0.00 0.00 175.26 176.75 2j46 s VAL 159 N 0.62 3.12 0.43 2.63 -7.23 -0.61 -4.96 120.40 114.38 2j46 s VAL 159 Ca 0.09 0.36 -0.03 0.00 -1.81 0.00 0.00 61.98 60.58 2j46 s VAL 159 Cb -0.12 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.00 2j46 s VAL 159 CO 0.01 -0.47 0.69 -0.04 -0.31 0.00 0.00 175.10 174.98 2j46 s MET 160 N -4.87 3.53 0.15 4.82 1.00 -1.26 -4.95 119.30 117.73 2j46 s MET 160 Ca 0.62 0.02 -0.33 0.00 0.00 0.00 0.00 55.69 56.00 2j46 s MET 160 Cb -0.18 -2.49 -0.13 0.00 0.00 0.00 0.00 34.83 32.04 2j46 s MET 160 CO 0.56 -0.06 1.70 -0.25 0.00 0.00 0.00 175.02 176.97 2j46 n ASP 161 N -2.02 3.59 -0.55 3.03 8.00 -1.26 -1.66 116.55 125.69 2j46 n ASP 161 Ca -0.01 1.05 -0.07 0.00 0.71 0.00 0.00 54.79 56.47 2j46 n ASP 161 Cb 0.55 -1.49 -0.03 0.00 -0.02 0.00 0.00 41.12 40.13 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 3.82 0.81 3.75 0.44 0.00 -0.73 -4.97 105.19 108.31 2j46 n GLY 162 Ca 0.17 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.29 4.23 0.61 1.61 2.12 -0.67 -4.98 118.70 119.34 2j46 s GLU 163 Ca 0.00 2.37 -0.17 0.00 0.36 0.00 0.00 54.97 57.53 2j46 s GLU 163 Cb 0.00 -3.07 -0.02 0.00 0.26 0.00 0.00 34.13 31.29 2j46 s GLU 163 CO 0.00 -0.45 1.14 -1.54 -0.54 0.00 0.00 175.26 173.87 2j46 s SER 164 N 0.25 5.29 0.31 -1.70 1.04 -1.26 -4.87 113.70 112.76 2j46 s SER 164 Ca 0.58 2.15 0.04 0.00 0.48 0.00 0.00 55.95 59.20 2j46 s SER 164 Cb -0.43 -2.57 0.66 0.00 0.10 0.00 0.00 66.02 63.77 2j46 s SER 164 CO 0.47 -1.51 1.86 -0.65 0.98 0.00 0.00 173.24 174.39 2j46 h PRO 165 N 0.58 0.85 -0.54 4.02 0.11 -1.97 -0.75 132.00 134.30 2j46 h PRO 165 Ca -0.49 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.53 2j46 h PRO 165 Cb 1.26 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2j46 h PRO 165 CO 0.55 0.56 0.19 0.93 -0.21 0.00 0.00 178.00 180.02 2j46 h GLU 166 N 0.88 0.82 -0.45 1.05 3.07 -1.96 -0.46 114.58 117.54 2j46 h GLU 166 Ca 0.46 -0.17 -0.04 0.00 -0.50 0.00 0.00 59.36 59.11 2j46 h GLU 166 Cb 0.53 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 2j46 h GLU 166 CO -0.22 0.74 0.11 1.03 -1.40 0.00 0.00 179.01 179.27 2j46 h SER 167 N 0.74 0.67 -0.33 1.42 0.87 -1.80 -1.62 113.55 113.50 2j46 h SER 167 Ca 0.18 -0.23 0.05 0.00 -1.23 0.00 0.00 61.79 60.56 2j46 h SER 167 Cb 0.25 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 61.98 2j46 h SER 167 CO -0.01 0.73 0.06 0.40 -0.53 0.00 0.00 176.83 177.48 2j46 h ILE 168 N 0.59 0.83 -0.18 2.23 2.04 -0.89 -0.99 117.51 121.13 2j46 h ILE 168 Ca 0.14 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 65.99 2j46 h ILE 168 Cb 0.31 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 2j46 h ILE 168 CO 0.00 0.03 -0.18 -0.09 0.00 0.00 0.00 178.15 177.91 2j46 h ARG 169 N 0.17 -0.19 -0.53 2.37 2.43 -0.87 0.23 114.38 117.98 2j46 h ARG 169 Ca 0.16 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.38 2j46 h ARG 169 Cb 0.18 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.73 2j46 h ARG 169 CO -0.21 -0.13 0.29 0.00 -1.51 0.00 0.00 179.97 178.41 2j46 h ARG 170 N -0.20 0.55 -0.29 0.20 2.47 -0.85 0.10 114.38 116.36 2j46 h ARG 170 Ca 0.11 -0.03 -0.19 0.00 -1.26 0.00 0.00 59.98 58.62 2j46 h ARG 170 Cb 0.37 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 2j46 h ARG 170 CO -0.30 0.36 -0.55 0.00 0.56 0.00 0.00 179.97 180.05 2j46 h ARG 171 N 0.57 0.88 -0.42 0.04 3.08 -0.90 -1.08 114.38 116.56 2j46 h ARG 171 Ca 0.23 -0.56 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 2j46 h ARG 171 Cb 0.10 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2j46 h ARG 171 CO -0.14 1.19 0.24 0.28 -1.07 0.00 0.00 179.97 180.48 2j46 h VAL 172 N 0.68 1.14 -0.32 2.04 2.07 -0.75 -1.16 116.25 119.96 2j46 h VAL 172 Ca 0.02 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.24 2j46 h VAL 172 Cb 1.16 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 2j46 h VAL 172 CO 0.12 0.15 0.02 -0.08 0.02 0.00 0.00 177.57 177.80 2j46 h GLU 173 N 0.54 0.12 -0.42 1.57 4.81 -0.63 -0.06 114.58 120.50 2j46 h GLU 173 Ca 0.15 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2j46 h GLU 173 Cb 0.03 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2j46 h GLU 173 CO -0.03 0.08 0.16 1.49 -0.73 0.00 0.00 179.01 179.98 2j46 h GLU 174 N 0.12 0.63 -0.54 1.92 4.81 -1.08 -0.75 114.58 119.69 2j46 h GLU 174 Ca 0.15 -0.12 -0.11 0.00 -0.13 0.00 0.00 59.36 59.15 2j46 h GLU 174 Cb 0.19 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2j46 h GLU 174 CO -0.23 0.60 -0.08 -0.22 -0.73 0.00 0.00 179.01 178.34 2j46 h LYS 175 N 0.54 1.01 -0.85 1.92 3.64 -0.99 0.75 116.57 122.58 2j46 h LYS 175 Ca 0.14 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 2j46 h LYS 175 Cb 0.21 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.92 2j46 h LYS 175 CO -0.01 1.05 0.55 0.00 -2.27 0.00 0.00 179.45 178.77 2j46 h ALA 176 N 0.93 1.08 0.40 5.00 0.00 -0.89 -1.45 119.26 124.34 2j46 h ALA 176 Ca 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2j46 h ALA 176 Cb 0.65 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2j46 h ALA 176 CO 0.04 0.51 -0.19 -0.09 0.00 0.00 0.00 179.25 179.53 2j46 h ARG 177 N 1.16 -0.52 -0.99 0.00 2.43 -0.85 0.04 114.38 115.66 2j46 h ARG 177 Ca 0.31 0.04 0.20 0.00 -0.81 0.00 0.00 59.98 59.72 2j46 h ARG 177 Cb -0.10 0.12 -0.10 0.00 -0.42 0.00 0.00 29.97 29.47 2j46 h ARG 177 CO -0.06 -0.22 0.62 -0.07 -1.51 0.00 0.00 179.97 178.73 2j46 h LEU 178 N -0.82 0.67 -2.57 3.80 3.38 -0.71 -2.51 115.31 116.55 2j46 h LEU 178 Ca -0.05 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2j46 h LEU 178 Cb 0.54 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2j46 h LEU 178 CO 0.09 0.23 0.00 -0.62 0.09 0.00 0.00 178.44 178.23 2j46 n GLU 179 N -4.69 2.52 -4.01 1.13 1.02 -0.56 -5.00 120.64 111.06 2j46 n GLU 179 Ca 0.23 -2.24 -0.29 0.00 -0.02 0.00 0.00 57.16 54.84 2j46 n GLU 179 Cb 0.63 -1.43 -0.03 0.00 -0.02 0.00 0.00 31.44 30.59 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 1.16 -2.11 -1.90 0.62 0.00 -0.28 -4.94 120.51 113.05 2j46 n ALA 180 Ca 0.17 -0.32 -0.36 0.00 0.00 0.00 0.00 53.44 52.93 2j46 n ALA 180 Cb 0.53 -1.67 -0.06 0.00 0.00 0.00 0.00 19.45 18.24 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 -6.74 4.40 0.00 0.00 1.81 -0.16 -4.86 118.95 113.41 2j46 s ARG 181 Ca 0.08 1.12 0.00 0.00 -1.72 0.00 0.00 55.73 55.22 2j46 s ARG 181 Cb -0.04 -2.73 0.00 0.00 -0.45 0.00 0.00 34.95 31.74 2j46 s ARG 181 CO 0.92 0.27 0.48 -0.40 -0.68 0.00 0.00 175.30 175.88 2j46 n ASP 182 N 0.41 0.87 -3.53 0.23 5.68 0.33 -4.85 116.55 115.69 2j46 n ASP 182 Ca 0.01 -1.19 -0.21 0.00 -0.50 0.00 0.00 54.79 52.91 2j46 n ASP 182 Cb 0.51 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.35 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 -0.19 0.03 -0.25 -2.12 2.96 -1.16 -2.37 118.68 115.59 2j46 s LEU 183 Ca 0.00 -0.35 -0.09 0.00 -0.22 0.00 0.00 54.13 53.47 2j46 s LEU 183 Cb 0.00 0.19 -0.04 0.00 0.50 0.00 0.00 46.19 46.84 2j46 s LEU 183 CO 0.00 -0.33 0.13 -0.63 -1.32 0.00 0.00 176.35 174.20 2j46 s ILE 184 N 2.27 4.92 -0.30 6.68 1.01 0.03 -0.68 121.20 135.13 2j46 s ILE 184 Ca 0.05 0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.71 2j46 s ILE 184 Cb -0.16 -3.31 0.05 0.00 0.01 0.00 0.00 42.46 39.05 2j46 s ILE 184 CO -0.11 0.32 0.00 -0.76 0.00 0.00 0.00 174.94 174.39 2j46 s LEU 185 N 1.44 3.86 -0.42 2.97 1.43 0.12 -0.54 118.68 127.53 2j46 s LEU 185 Ca 0.06 -1.21 -0.16 0.00 -1.03 0.00 0.00 54.13 51.79 2j46 s LEU 185 Cb -0.15 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.38 2j46 s LEU 185 CO 0.06 -0.25 0.35 -0.69 0.23 0.00 0.00 176.35 176.05 2j46 s VAL 186 N 1.27 5.21 -0.63 -1.59 1.01 -0.02 -0.94 120.40 124.71 2j46 s VAL 186 Ca -0.04 -0.61 -0.24 0.00 0.00 0.00 0.00 61.98 61.08 2j46 s VAL 186 Cb -0.19 -3.98 0.05 0.00 0.00 0.00 0.00 36.38 32.25 2j46 s VAL 186 CO -0.01 -0.37 1.02 -0.62 0.00 0.00 0.00 175.10 175.12 2j46 s ASP 187 N 1.81 6.25 0.72 3.32 2.15 0.11 -0.57 116.67 130.46 2j46 s ASP 187 Ca 0.07 -0.58 -0.08 0.00 0.43 0.00 0.00 52.55 52.38 2j46 s ASP 187 Cb -0.19 -2.46 0.06 0.00 -0.30 0.00 0.00 42.92 40.03 2j46 s ASP 187 CO 0.11 -1.43 1.05 0.42 -0.17 0.00 0.00 175.17 175.15 2j46 s THR 188 N 4.35 2.40 0.25 1.71 -4.23 -0.88 -1.47 115.64 117.77 2j46 s THR 188 Ca 0.29 -0.13 -0.31 0.00 -1.18 0.00 0.00 61.69 60.36 2j46 s THR 188 Cb -0.13 -3.07 -0.12 0.00 1.34 0.00 0.00 72.50 70.52 2j46 s THR 188 CO 0.15 -0.08 1.66 0.00 -0.54 0.00 0.00 174.62 175.82 2j46 n ALA 189 N -3.00 2.72 -2.85 3.99 0.00 -1.26 -4.80 120.51 115.30 2j46 n ALA 189 Ca 0.08 0.39 -0.35 0.00 0.00 0.00 0.00 53.44 53.55 2j46 n ALA 189 Cb 0.60 -2.50 -0.10 0.00 0.00 0.00 0.00 19.45 17.45 2j46 n ALA 189 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2j46 s GLY 190 N 0.84 1.87 0.24 0.00 0.00 -1.26 -4.74 107.32 104.27 2j46 s GLY 190 Ca 0.70 -0.81 0.07 0.00 0.00 0.00 0.00 44.72 44.67 2j46 s GLY 190 CO 0.40 0.13 -0.10 0.50 0.00 0.00 0.00 173.10 174.03 2j46 s ARG 191 N 0.58 1.45 0.29 2.90 1.81 -1.26 -4.43 118.95 120.28 2j46 s ARG 191 Ca 0.03 -1.69 0.10 0.00 -1.72 0.00 0.00 55.73 52.44 2j46 s ARG 191 Cb -0.13 -1.15 0.42 0.00 -0.45 0.00 0.00 34.95 33.64 2j46 s ARG 191 CO 0.01 0.11 1.66 -0.07 -0.68 0.00 0.00 175.30 176.33 2j46 h LEU 192 N 2.41 0.06 -9.04 2.53 3.38 -1.94 0.79 115.31 113.49 2j46 h LEU 192 Ca -0.39 -0.03 -0.41 0.00 0.09 0.00 0.00 57.88 57.14 2j46 h LEU 192 Cb 1.23 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.82 2j46 h LEU 192 CO 0.64 0.60 -0.58 0.00 0.09 0.00 0.00 178.44 179.19 2j46 s GLN 193 N -3.79 1.57 0.93 1.13 -2.07 -1.26 -4.76 119.66 111.42 2j46 s GLN 193 Ca -0.02 -1.89 -0.14 0.00 -1.82 0.00 0.00 55.36 51.49 2j46 s GLN 193 Cb 0.13 -0.34 0.16 0.00 -1.09 0.00 0.00 33.01 31.87 2j46 s GLN 193 CO 0.76 -0.35 1.20 0.42 -1.32 0.00 0.00 175.29 175.99 2j46 s ILE 194 N -3.57 1.95 0.00 3.63 1.01 -1.26 -4.99 121.20 117.97 2j46 s ILE 194 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.00 2j46 s ILE 194 Cb 0.06 -2.85 0.00 0.00 0.01 0.00 0.00 42.46 39.69 2j46 s ILE 194 CO 0.15 0.00 0.00 -0.67 0.00 0.00 0.00 174.94 174.42 2j46 n ASP 195 N -3.78 0.00 0.11 3.58 4.64 -1.26 -5.05 116.55 114.79 2j46 n ASP 195 Ca 0.10 0.00 -0.13 0.00 -1.38 0.00 0.00 54.79 53.38 2j46 n ASP 195 Cb 0.60 0.00 -0.06 0.00 -1.04 0.00 0.00 41.12 40.61 2j46 n ASP 195 CO 0.00 0.00 0.00 -0.08 -0.82 0.00 0.00 177.20 176.30 2j46 h GLU 196 N 0.00 -0.55 -0.14 -0.67 4.81 -1.99 -2.59 114.58 113.44 2j46 h GLU 196 Ca 0.00 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2j46 h GLU 196 Cb 0.00 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2j46 h GLU 196 CO 0.00 -0.37 0.07 -1.35 -0.73 0.00 0.00 179.01 176.63 2j46 h PRO 197 N -0.57 0.14 -0.80 0.92 0.11 -1.99 0.39 132.00 130.20 2j46 h PRO 197 Ca 0.03 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.09 2j46 h PRO 197 Cb 0.61 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.65 2j46 h PRO 197 CO -0.22 0.09 0.35 1.25 -0.21 0.00 0.00 178.00 179.27 2j46 h LEU 198 N 0.15 1.08 -1.01 2.35 6.46 -1.98 -1.40 115.31 120.95 2j46 h LEU 198 Ca 0.06 -0.15 -0.09 0.00 -0.12 0.00 0.00 57.88 57.58 2j46 h LEU 198 Cb 0.01 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.65 2j46 h LEU 198 CO -0.04 0.93 -0.24 0.24 -0.62 0.00 0.00 178.44 178.70 2j46 h MET 199 N 1.15 0.42 -0.50 1.25 2.86 -0.93 0.72 114.93 119.90 2j46 h MET 199 Ca 0.27 -0.15 -0.11 0.00 -2.06 0.00 0.00 59.70 57.65 2j46 h MET 199 Cb 0.17 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 2j46 h MET 199 CO -0.03 0.64 -0.11 0.78 1.06 0.00 0.00 176.91 179.26 2j46 h GLY 200 N 1.01 1.04 1.37 8.32 0.00 -0.48 -1.30 103.07 113.03 2j46 h GLY 200 Ca 0.06 -0.85 -0.08 0.00 0.00 0.00 0.00 47.33 46.46 2j46 h GLY 200 CO 0.05 0.78 -0.05 0.83 0.00 0.00 0.00 176.54 178.15 2j46 h GLU 201 N 0.82 0.76 -0.41 4.80 5.08 -0.67 -1.47 114.58 123.50 2j46 h GLU 201 Ca 0.13 -0.22 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 2j46 h GLU 201 Cb 0.66 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 2j46 h GLU 201 CO 0.05 0.80 -0.18 1.25 -1.00 0.00 0.00 179.01 179.92 2j46 h LEU 202 N 0.70 0.86 -1.02 1.33 5.85 -0.78 -0.35 115.31 121.91 2j46 h LEU 202 Ca 0.13 -0.40 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 2j46 h LEU 202 Cb 0.50 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 2j46 h LEU 202 CO 0.03 1.07 0.25 0.00 -0.34 0.00 0.00 178.44 179.45 2j46 h ALA 203 N 0.82 1.22 -0.31 1.25 0.00 -1.13 -1.30 119.26 119.82 2j46 h ALA 203 Ca 0.09 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 2j46 h ALA 203 Cb 0.74 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2j46 h ALA 203 CO 0.06 0.57 -0.17 -0.09 0.00 0.00 0.00 179.25 179.61 2j46 h ARG 204 N 0.94 0.66 -0.92 0.00 9.65 -1.00 -1.89 114.38 121.81 2j46 h ARG 204 Ca 0.22 -0.30 0.01 0.00 -1.10 0.00 0.00 59.98 58.81 2j46 h ARG 204 Cb 0.19 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.71 2j46 h ARG 204 CO -0.02 0.89 0.61 1.25 2.80 0.00 0.00 179.97 185.50 2j46 h LEU 205 N 0.42 1.05 -0.73 3.80 5.85 -0.87 -1.93 115.31 122.91 2j46 h LEU 205 Ca 0.07 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 2j46 h LEU 205 Cb 0.71 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 2j46 h LEU 205 CO 0.05 0.75 0.36 0.50 -0.34 0.00 0.00 178.44 179.76 2j46 h LYS 206 N 1.23 1.04 -0.37 1.25 3.64 -1.01 -0.10 116.57 122.26 2j46 h LYS 206 Ca 0.34 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.61 2j46 h LYS 206 Cb -0.12 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.48 2j46 h LYS 206 CO -0.08 0.80 0.17 0.93 -2.27 0.00 0.00 179.45 179.01 2j46 h GLU 207 N 1.01 0.35 0.06 1.90 5.08 -0.74 0.02 114.58 122.26 2j46 h GLU 207 Ca 0.25 -0.02 -0.26 0.00 -1.00 0.00 0.00 59.36 58.33 2j46 h GLU 207 Cb 0.10 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 29.29 2j46 h GLU 207 CO -0.03 0.23 -1.07 0.28 -1.00 0.00 0.00 179.01 177.41 2j46 h VAL 208 N 0.36 1.31 0.00 3.13 2.07 -1.12 -3.35 116.25 118.65 2j46 h VAL 208 Ca 0.16 -2.33 -0.13 0.00 0.82 0.00 0.00 66.70 65.22 2j46 h VAL 208 Cb 0.08 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 2j46 h VAL 208 CO -0.12 0.71 -0.96 -0.07 0.02 0.00 0.00 177.57 177.15 2j46 h LEU 209 N 0.25 0.00 -1.75 2.57 3.38 -1.03 -3.49 115.31 115.24 2j46 h LEU 209 Ca -0.15 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.49 2j46 h LEU 209 Cb 1.75 0.00 0.16 0.00 0.09 0.00 0.00 40.66 42.66 2j46 h LEU 209 CO 0.21 0.51 -0.78 0.61 0.09 0.00 0.00 178.44 179.08 2j46 n GLY 210 N 1.30 -0.44 3.76 0.83 0.00 -0.01 -4.94 105.19 105.70 2j46 n GLY 210 Ca -0.04 0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -5.31 3.54 0.34 1.61 0.04 -1.26 -4.91 135.00 129.05 2j46 s PRO 211 Ca 0.05 2.32 0.18 0.00 0.04 0.00 0.00 61.00 63.59 2j46 s PRO 211 Cb -0.01 -2.53 0.21 0.00 0.04 0.00 0.00 34.50 32.20 2j46 s PRO 211 CO 0.74 -0.90 1.52 -0.44 0.04 0.00 0.00 177.00 177.96 2j46 h ASP 212 N 2.08 0.00 -4.49 6.66 5.19 -1.18 -3.46 116.42 121.22 2j46 h ASP 212 Ca -0.51 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 55.69 2j46 h ASP 212 Cb 1.27 0.00 -0.24 0.00 0.18 0.00 0.00 39.33 40.55 2j46 h ASP 212 CO 0.60 0.33 -0.71 -1.61 -3.12 0.00 0.00 179.24 174.73 2j46 s GLU 213 N -3.08 0.25 -0.26 3.56 0.41 -1.25 -5.04 118.70 113.29 2j46 s GLU 213 Ca 0.05 -0.41 0.00 0.00 -0.41 0.00 0.00 54.97 54.20 2j46 s GLU 213 Cb 0.07 -0.01 0.07 0.00 -1.78 0.00 0.00 34.13 32.48 2j46 s GLU 213 CO 0.72 -0.01 0.01 0.08 -0.49 0.00 0.00 175.26 175.56 2j46 s VAL 214 N -0.90 1.30 -0.29 2.63 1.01 -1.26 -1.48 120.40 121.42 2j46 s VAL 214 Ca -0.09 -1.29 -0.15 0.00 0.00 0.00 0.00 61.98 60.45 2j46 s VAL 214 Cb -0.06 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 2j46 s VAL 214 CO -0.00 -0.31 0.36 -0.76 0.00 0.00 0.00 175.10 174.38 2j46 s LEU 215 N 1.46 4.14 -0.28 3.92 1.43 0.15 -0.81 118.68 128.69 2j46 s LEU 215 Ca 0.01 0.12 -0.17 0.00 -1.03 0.00 0.00 54.13 53.06 2j46 s LEU 215 Cb -0.18 -2.38 -0.03 0.00 0.03 0.00 0.00 46.19 43.63 2j46 s LEU 215 CO -0.11 -0.22 0.48 -0.22 0.23 0.00 0.00 176.35 176.51 2j46 s LEU 216 N 2.04 4.10 -0.14 1.79 2.96 -0.33 -1.16 118.68 127.95 2j46 s LEU 216 Ca 0.14 0.36 -0.16 0.00 -0.22 0.00 0.00 54.13 54.24 2j46 s LEU 216 Cb -0.16 -2.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.90 2j46 s LEU 216 CO 0.11 -0.30 0.39 -0.69 -1.32 0.00 0.00 176.35 174.54 2j46 s VAL 217 N 2.27 5.24 -0.03 1.68 1.01 -0.15 -0.98 120.40 129.45 2j46 s VAL 217 Ca 0.19 0.76 0.02 0.00 0.00 0.00 0.00 61.98 62.95 2j46 s VAL 217 Cb -0.16 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.50 2j46 s VAL 217 CO 0.10 0.35 -0.06 -0.76 0.00 0.00 0.00 175.10 174.73 2j46 s LEU 218 N 0.56 1.68 -0.46 3.92 1.43 -0.07 -4.41 118.68 121.33 2j46 s LEU 218 Ca 0.21 -0.14 -0.29 0.00 -1.03 0.00 0.00 54.13 52.89 2j46 s LEU 218 Cb -0.14 -0.43 0.01 0.00 0.03 0.00 0.00 46.19 45.67 2j46 s LEU 218 CO 0.07 0.02 1.38 -0.62 0.23 0.00 0.00 176.35 177.43 2j46 s ASP 219 N 0.36 6.32 0.61 2.29 -1.08 -1.26 -0.70 116.67 123.21 2j46 s ASP 219 Ca -0.05 0.65 0.33 0.00 -0.52 0.00 0.00 52.55 52.96 2j46 s ASP 219 Cb -0.09 -2.54 1.90 0.00 -1.46 0.00 0.00 42.92 40.72 2j46 s ASP 219 CO 0.00 -1.48 2.22 0.00 0.52 0.00 0.00 175.17 176.43 2j46 h ALA 220 N 10.64 1.49 0.00 3.66 0.00 -1.37 -1.47 119.26 132.20 2j46 h ALA 220 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2j46 h ALA 220 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2j46 h ALA 220 CO 1.11 -0.10 0.00 -1.33 0.00 0.00 0.00 179.25 178.93 2j46 n MET 221 N -3.63 0.18 0.00 0.00 2.81 -1.26 -1.75 117.12 113.48 2j46 n MET 221 Ca -0.02 0.41 0.16 0.00 -1.81 0.00 0.00 57.70 56.44 2j46 n MET 221 Cb 0.16 -1.85 0.91 0.00 -0.71 0.00 0.00 33.22 31.74 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 -2.19 0.00 -3.37 2.03 -2.24 -0.55 -4.99 114.28 102.97 2j46 n THR 222 Ca 0.02 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2j46 n THR 222 Cb 0.23 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 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 1.06 3.13 0.22 3.38 0.00 -0.71 -1.58 105.19 110.68 2j46 n GLY 223 Ca 0.22 -0.29 0.15 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.08 1.61 4.20 -1.90 -1.89 115.11 117.05 2j46 h GLN 224 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2j46 h GLN 224 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2j46 h GLN 224 CO 0.00 0.00 -0.03 1.49 -0.67 0.00 0.00 178.83 179.62 2j46 h GLU 225 N 0.00 0.12 -0.57 1.46 4.57 -1.71 -1.10 114.58 117.35 2j46 h GLU 225 Ca 0.00 -0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.25 2j46 h GLU 225 Cb 0.23 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 2j46 h GLU 225 CO 0.00 0.16 0.38 0.00 -1.18 0.00 0.00 179.01 178.37 2j46 h ALA 226 N 1.86 1.96 -0.00 2.92 0.00 -1.44 -1.53 119.26 123.03 2j46 h ALA 226 Ca 0.03 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 2j46 h ALA 226 Cb 0.13 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2j46 h ALA 226 CO 0.00 -0.07 -0.75 -0.07 0.00 0.00 0.00 179.25 178.36 2j46 h LEU 227 N 0.44 0.04 -0.44 0.00 3.38 -1.35 -0.82 115.31 116.57 2j46 h LEU 227 Ca 0.26 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 58.02 2j46 h LEU 227 Cb 0.44 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2j46 h LEU 227 CO -0.07 0.78 -0.77 0.28 0.09 0.00 0.00 178.44 178.75 2j46 h SER 228 N 0.02 0.18 -0.51 -0.43 0.02 -1.20 -1.43 113.55 110.20 2j46 h SER 228 Ca -0.01 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 2j46 h SER 228 Cb 1.33 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.80 2j46 h SER 228 CO 0.10 0.88 0.20 0.58 -1.14 0.00 0.00 176.83 177.45 2j46 h VAL 229 N 0.09 1.22 -0.61 2.27 2.07 -1.20 -2.47 116.25 117.61 2j46 h VAL 229 Ca -0.02 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.82 2j46 h VAL 229 Cb 1.36 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 2j46 h VAL 229 CO 0.11 0.26 0.40 0.00 0.02 0.00 0.00 177.57 178.36 2j46 h ALA 230 N 1.04 0.78 -0.64 1.67 0.00 -0.99 -1.15 119.26 119.98 2j46 h ALA 230 Ca 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2j46 h ALA 230 Cb 0.21 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2j46 h ALA 230 CO -0.01 0.22 0.37 -0.09 0.00 0.00 0.00 179.25 179.74 2j46 h ARG 231 N 0.83 0.87 -0.18 0.00 2.43 -1.21 -0.28 114.38 116.84 2j46 h ARG 231 Ca 0.22 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 2j46 h ARG 231 Cb -0.08 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.28 2j46 h ARG 231 CO -0.05 0.63 0.08 0.00 -1.51 0.00 0.00 179.97 179.13 2j46 h ALA 232 N 1.19 0.23 -0.34 2.80 0.00 -1.02 -0.73 119.26 121.40 2j46 h ALA 232 Ca 0.23 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 2j46 h ALA 232 Cb -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2j46 h ALA 232 CO -0.04 -0.19 -0.21 0.74 0.00 0.00 0.00 179.25 179.55 2j46 h PHE 233 N 0.15 0.71 -0.53 0.00 0.04 -1.14 -1.68 116.94 114.49 2j46 h PHE 233 Ca 0.06 -0.15 -0.12 0.00 2.80 0.00 0.00 57.97 60.57 2j46 h PHE 233 Cb 0.14 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 2j46 h PHE 233 CO -0.02 0.79 -0.12 0.22 -0.60 0.00 0.00 178.31 178.58 2j46 h ASP 234 N 0.57 1.01 -0.25 2.17 3.58 -0.87 0.65 116.42 123.28 2j46 h ASP 234 Ca 0.09 -0.34 -0.14 0.00 0.42 0.00 0.00 57.03 57.06 2j46 h ASP 234 Cb 0.66 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 2j46 h ASP 234 CO 0.05 1.13 -0.35 -0.33 -2.88 0.00 0.00 179.24 176.86 2j46 h GLU 235 N 0.90 0.78 0.00 0.28 5.08 -0.96 -2.65 114.58 117.99 2j46 h GLU 235 Ca 0.14 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2j46 h GLU 235 Cb 0.69 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 2j46 h GLU 235 CO 0.05 1.01 -1.92 1.63 -1.00 0.00 0.00 179.01 178.78 2j46 n LYS 236 N -4.06 0.66 0.00 2.33 5.02 -0.65 -4.74 118.16 116.72 2j46 n LYS 236 Ca -0.01 -0.17 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 2j46 n LYS 236 Cb 0.51 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 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 -2.31 0.00 -0.08 -0.18 0.31 0.08 -4.64 118.33 111.51 2j46 n VAL 237 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 2j46 n VAL 237 Cb 0.58 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 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 2.56 0.58 3.72 2.92 0.00 -0.38 -4.93 105.19 109.65 2j46 n GLY 238 Ca 0.00 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.69 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 4.20 -0.07 1.61 1.01 -1.26 -4.77 120.40 121.11 2j46 s VAL 239 Ca 0.00 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.18 2j46 s VAL 239 Cb 0.00 -3.00 -0.13 0.00 0.00 0.00 0.00 36.38 33.25 2j46 s VAL 239 CO 0.00 0.14 0.08 0.35 0.00 0.00 0.00 175.10 175.67 2j46 n THR 240 N 0.59 0.49 -3.74 3.92 -2.24 0.01 -4.92 114.28 108.39 2j46 n THR 240 Ca -0.10 -0.36 -0.07 0.00 -2.27 0.00 0.00 64.05 61.25 2j46 n THR 240 Cb 0.52 -0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.23 0.14 3.38 0.00 -1.12 -4.43 107.32 101.13 2j46 s GLY 241 Ca -0.04 0.02 0.09 0.00 0.00 0.00 0.00 44.72 44.79 2j46 s GLY 241 CO 0.40 0.00 -0.17 1.08 0.00 0.00 0.00 173.10 174.41 2j46 s LEU 242 N -2.87 2.73 -0.14 0.66 1.43 -0.04 -1.19 118.68 119.27 2j46 s LEU 242 Ca 0.09 -0.59 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 2j46 s LEU 242 Cb -0.04 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.67 2j46 s LEU 242 CO 0.02 0.16 -0.18 -0.69 0.23 0.00 0.00 176.35 175.89 2j46 s VAL 243 N -1.31 1.75 -0.34 -1.59 1.01 -0.15 -0.62 120.40 119.15 2j46 s VAL 243 Ca 0.20 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 61.29 2j46 s VAL 243 Cb -0.10 -1.59 0.01 0.00 0.00 0.00 0.00 36.38 34.70 2j46 s VAL 243 CO 0.11 0.49 0.18 -0.76 0.00 0.00 0.00 175.10 175.12 2j46 s LEU 244 N 1.09 4.42 0.43 3.92 1.43 -0.85 -0.89 118.68 128.24 2j46 s LEU 244 Ca -0.03 -0.76 -0.00 0.00 -1.03 0.00 0.00 54.13 52.31 2j46 s LEU 244 Cb -0.14 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 2j46 s LEU 244 CO -0.05 -0.29 0.66 0.42 0.23 0.00 0.00 176.35 177.32 2j46 s THR 245 N 1.59 4.29 -1.53 5.49 -4.23 0.13 -0.39 115.64 120.99 2j46 s THR 245 Ca 0.03 -0.42 -0.05 0.00 -1.18 0.00 0.00 61.69 60.07 2j46 s THR 245 Cb -0.18 -3.59 0.01 0.00 1.34 0.00 0.00 72.50 70.09 2j46 s THR 245 CO 0.07 -0.42 0.55 0.29 -0.54 0.00 0.00 174.62 174.57 2j46 n LYS 246 N -2.04 -4.52 0.17 3.99 5.02 -1.04 -1.06 118.16 118.68 2j46 n LYS 246 Ca 0.00 0.85 0.03 0.00 -2.02 0.00 0.00 58.31 57.18 2j46 n LYS 246 Cb 0.57 -5.69 0.29 0.00 -0.02 0.00 0.00 35.03 30.18 2j46 n LYS 246 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2j46 h LEU 247 N -1.25 0.00 0.00 -0.35 5.85 -1.39 -2.62 115.31 115.56 2j46 h LEU 247 Ca -0.51 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.21 2j46 h LEU 247 Cb 1.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.38 2j46 h LEU 247 CO 0.56 0.45 -0.63 -0.90 -0.34 0.00 0.00 178.44 177.59 2j46 n ASP 248 N -3.64 0.59 0.07 1.25 5.75 -1.26 -2.77 116.55 116.54 2j46 n ASP 248 Ca -0.01 -0.30 0.13 0.00 -0.01 0.00 0.00 54.79 54.61 2j46 n ASP 248 Cb 0.54 0.39 0.33 0.00 -1.03 0.00 0.00 41.12 41.35 2j46 n ASP 248 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2j46 n GLY 249 N 1.47 -1.54 3.64 6.12 0.00 -1.06 -4.61 105.19 109.21 2j46 n GLY 249 Ca 0.05 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 2j46 n GLY 249 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2j46 s ASP 250 N -4.11 6.93 -0.38 1.61 2.15 -1.01 -4.86 116.67 117.00 2j46 s ASP 250 Ca 0.09 1.08 0.05 0.00 0.43 0.00 0.00 52.55 54.21 2j46 s ASP 250 Cb 0.14 -2.54 0.46 0.00 -0.30 0.00 0.00 42.92 40.68 2j46 s ASP 250 CO 0.64 -0.88 1.41 0.00 -0.17 0.00 0.00 175.17 176.18 2j46 n ALA 251 N 6.87 5.25 -0.52 3.66 0.00 -1.26 -1.42 120.51 133.08 2j46 n ALA 251 Ca 0.12 -3.66 0.00 0.00 0.00 0.00 0.00 53.44 49.90 2j46 n ALA 251 Cb 0.47 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.22 2j46 n ALA 251 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2j46 n ARG 252 N -0.80 0.00 0.00 0.00 5.12 -1.26 -4.26 116.66 115.46 2j46 n ARG 252 Ca 0.47 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.39 2j46 n ARG 252 Cb 0.89 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.19 2j46 n ARG 252 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2j46 n GLY 253 N 2.41 1.43 0.33 -0.13 0.00 -1.26 -4.68 105.19 103.29 2j46 n GLY 253 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 1.28 0.86 -0.02 0.00 -1.50 -0.83 103.07 102.86 2j46 h GLY 254 Ca 0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 2j46 h GLY 254 CO 0.00 0.33 0.05 0.00 0.00 0.00 0.00 176.54 176.93 2j46 h ALA 255 N 1.38 0.22 -0.66 3.60 0.00 -1.78 -1.68 119.26 120.34 2j46 h ALA 255 Ca 0.36 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2j46 h ALA 255 Cb 0.06 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2j46 h ALA 255 CO -0.14 -0.16 0.30 0.00 0.00 0.00 0.00 179.25 179.25 2j46 h ALA 256 N 0.88 0.85 0.00 0.00 0.00 -1.87 -1.79 119.26 117.32 2j46 h ALA 256 Ca 0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2j46 h ALA 256 Cb 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2j46 h ALA 256 CO -0.00 0.43 -0.22 -0.07 0.00 0.00 0.00 179.25 179.39 2j46 h LEU 257 N 0.91 0.00 0.00 0.00 3.38 -1.10 -3.29 115.31 115.21 2j46 h LEU 257 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2j46 h LEU 257 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2j46 h LEU 257 CO -0.03 0.22 -1.45 -1.20 0.09 0.00 0.00 178.44 176.07 2j46 n SER 258 N -3.40 0.53 -0.01 -0.43 7.64 -0.64 -4.61 113.62 112.70 2j46 n SER 258 Ca 0.00 -0.51 -0.11 0.00 1.01 0.00 0.00 58.87 59.26 2j46 n SER 258 Cb 0.42 1.44 -0.05 0.00 -1.01 0.00 0.00 64.21 65.01 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 2.53 0.14 0.02 -0.43 0.00 -1.41 -1.35 119.26 118.77 2j46 h ALA 259 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2j46 h ALA 259 Cb 0.74 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2j46 h ALA 259 CO 0.00 -0.36 -0.11 -0.09 0.00 0.00 0.00 179.25 178.70 2j46 h ARG 260 N 0.14 -0.18 -0.28 0.00 2.43 -1.76 0.15 114.38 114.88 2j46 h ARG 260 Ca 0.04 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2j46 h ARG 260 Cb 0.00 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2j46 h ARG 260 CO -0.01 -0.12 0.16 1.25 -1.51 0.00 0.00 179.97 179.74 2j46 h HIS 261 N -0.19 0.37 0.20 2.20 2.76 -1.81 -0.39 115.15 118.30 2j46 h HIS 261 Ca 0.03 -0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 57.92 2j46 h HIS 261 Cb 0.23 -0.12 0.03 0.00 1.55 0.00 0.00 27.41 29.10 2j46 h HIS 261 CO -0.16 0.29 -1.23 0.28 -1.30 0.00 0.00 177.93 175.81 2j46 h VAL 262 N 0.35 1.34 0.00 5.26 2.07 -1.12 -3.39 116.25 120.77 2j46 h VAL 262 Ca 0.10 -2.61 -0.06 0.00 0.82 0.00 0.00 66.70 64.95 2j46 h VAL 262 Cb 0.03 3.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.87 2j46 h VAL 262 CO -0.02 0.77 -1.73 0.35 0.02 0.00 0.00 177.57 176.97 2j46 n THR 263 N -3.89 0.22 -0.99 2.57 -2.24 0.52 -5.01 114.28 105.47 2j46 n THR 263 Ca -0.17 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 2j46 n THR 263 Cb 0.98 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 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 1.79 0.31 3.67 3.38 0.00 -0.15 -5.02 105.19 109.17 2j46 n GLY 264 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.80 2.76 0.48 1.61 -0.14 -1.26 -5.02 119.74 117.38 2j46 s LYS 265 Ca 0.00 -0.61 -0.21 0.00 -1.36 0.00 0.00 55.97 53.79 2j46 s LYS 265 Cb 0.00 -2.65 -0.08 0.00 -1.68 0.00 0.00 37.83 33.42 2j46 s LYS 265 CO 0.00 0.63 1.05 -1.25 -0.76 0.00 0.00 175.35 175.02 2j46 s PRO 266 N -1.47 3.78 -0.40 -1.68 0.04 -1.26 -4.36 135.00 129.66 2j46 s PRO 266 Ca 0.19 1.42 -0.18 0.00 0.04 0.00 0.00 61.00 62.46 2j46 s PRO 266 Cb -0.11 -2.13 0.01 0.00 0.04 0.00 0.00 34.50 32.30 2j46 s PRO 266 CO 0.09 -0.45 0.52 0.42 0.04 0.00 0.00 177.00 177.62 2j46 s ILE 267 N -1.91 4.99 -0.08 0.56 1.01 -1.26 -0.86 121.20 123.65 2j46 s ILE 267 Ca 0.67 0.06 -0.19 0.00 0.00 0.00 0.00 60.65 61.19 2j46 s ILE 267 Cb -0.18 -4.05 -0.29 0.00 0.01 0.00 0.00 42.46 37.95 2j46 s ILE 267 CO 0.22 -0.38 0.72 1.88 0.00 0.00 0.00 174.94 177.38 2j46 h TYR 268 N 8.66 0.48 -3.87 3.97 0.05 -1.09 -3.42 116.97 121.75 2j46 h TYR 268 Ca -0.27 -0.35 -0.27 0.00 0.05 0.00 0.00 58.73 57.89 2j46 h TYR 268 Cb 1.11 -0.02 -0.18 0.00 1.01 0.00 0.00 36.73 38.65 2j46 h TYR 268 CO 0.69 1.43 -0.72 -0.06 -1.05 0.00 0.00 178.16 178.45 2j46 s PHE 269 N -2.45 0.84 -0.03 4.88 0.40 -1.23 -1.19 117.98 119.20 2j46 s PHE 269 Ca -0.17 -0.67 0.07 0.00 -0.60 0.00 0.00 56.93 55.56 2j46 s PHE 269 Cb 0.03 -0.48 -0.01 0.00 0.51 0.00 0.00 43.02 43.06 2j46 s PHE 269 CO 0.79 -0.09 -0.23 0.00 0.70 0.00 0.00 175.22 176.40 2j46 s ALA 270 N -2.34 1.92 -0.03 5.36 0.00 0.22 -2.02 121.76 124.88 2j46 s ALA 270 Ca 0.01 -0.97 -0.16 0.00 0.00 0.00 0.00 51.96 50.84 2j46 s ALA 270 Cb -0.03 -0.52 -0.05 0.00 0.00 0.00 0.00 23.12 22.51 2j46 s ALA 270 CO -0.01 0.44 0.43 0.20 0.00 0.00 0.00 175.76 176.81 2j46 s GLY 271 N -0.40 2.46 0.11 0.00 0.00 0.48 -1.09 107.32 108.88 2j46 s GLY 271 Ca 0.05 -0.21 -0.08 0.00 0.00 0.00 0.00 44.72 44.49 2j46 s GLY 271 CO 0.00 0.33 0.19 -1.34 0.00 0.00 0.00 173.10 172.28 2j46 s VAL 272 N -0.61 0.12 -0.31 1.40 -7.23 -0.80 -1.26 120.40 111.71 2j46 s VAL 272 Ca 0.24 -1.35 0.22 0.00 -1.81 0.00 0.00 61.98 59.28 2j46 s VAL 272 Cb -0.16 -1.57 -0.17 0.00 0.56 0.00 0.00 36.38 35.04 2j46 s VAL 272 CO 0.13 -0.55 0.83 -1.54 -0.31 0.00 0.00 175.10 173.66 2j46 n SER 273 N -0.10 0.48 0.10 4.85 3.41 -1.26 -4.26 113.62 116.84 2j46 n SER 273 Ca -0.12 -0.01 0.12 0.00 -0.26 0.00 0.00 58.87 58.61 2j46 n SER 273 Cb 0.63 1.13 0.45 0.00 -0.26 0.00 0.00 64.21 66.16 2j46 n SER 273 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2j46 n GLU 274 N -2.26 0.19 -4.56 4.33 0.28 -1.26 -4.57 120.64 112.79 2j46 n GLU 274 Ca -0.01 0.28 -0.34 0.00 -0.16 0.00 0.00 57.16 56.94 2j46 n GLU 274 Cb 0.51 -1.78 -0.12 0.00 1.43 0.00 0.00 31.44 31.48 2j46 n GLU 274 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2j46 s LYS 275 N -3.17 3.30 0.30 3.44 2.20 -1.26 -5.03 119.74 119.52 2j46 s LYS 275 Ca 0.08 -0.56 0.06 0.00 -0.36 0.00 0.00 55.97 55.18 2j46 s LYS 275 Cb 0.12 -2.74 0.75 0.00 -1.51 0.00 0.00 37.83 34.44 2j46 s LYS 275 CO 0.49 0.38 1.75 -1.35 -0.36 0.00 0.00 175.35 176.26 2j46 h PRO 276 N 6.21 0.63 0.00 4.03 0.11 -1.92 -0.61 132.00 140.46 2j46 h PRO 276 Ca -0.36 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.63 2j46 h PRO 276 Cb 1.19 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2j46 h PRO 276 CO 0.58 0.42 -0.40 1.05 -0.21 0.00 0.00 178.00 179.44 2j46 h GLU 277 N 0.65 0.00 0.00 1.05 9.09 -1.94 -3.47 114.58 119.96 2j46 h GLU 277 Ca 0.58 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.99 2j46 h GLU 277 Cb 0.97 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.07 2j46 h GLU 277 CO -0.42 0.40 0.00 0.41 0.05 0.00 0.00 179.01 179.44 2j46 n GLY 278 N -0.02 1.40 3.02 1.06 0.00 -0.24 -5.00 105.19 105.42 2j46 n GLY 278 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 0.00 0.65 0.05 0.99 2.96 -1.26 -1.91 118.68 120.16 2j46 s LEU 279 Ca 0.00 0.44 -0.04 0.00 -0.22 0.00 0.00 54.13 54.31 2j46 s LEU 279 Cb 0.00 0.62 -0.02 0.00 0.50 0.00 0.00 46.19 47.29 2j46 s LEU 279 CO 0.00 -0.14 0.05 -1.83 -1.32 0.00 0.00 176.35 173.10 2j46 s GLU 280 N 1.02 0.59 0.54 1.98 -1.05 -0.25 -4.99 118.70 116.54 2j46 s GLU 280 Ca -0.08 -0.93 -0.21 0.00 -0.15 0.00 0.00 54.97 53.61 2j46 s GLU 280 Cb -0.09 0.22 -0.06 0.00 -0.44 0.00 0.00 34.13 33.76 2j46 s GLU 280 CO -0.06 -0.14 1.08 -2.30 0.95 0.00 0.00 175.26 174.80 2j46 n PRO 281 N 0.53 1.23 -3.17 -4.83 -0.02 -1.26 -0.61 135.00 126.88 2j46 n PRO 281 Ca -0.17 0.46 -0.39 0.00 -2.02 0.00 0.00 63.50 61.37 2j46 n PRO 281 Cb 0.59 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.76 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 -1.40 3.44 -0.46 6.00 5.36 -0.34 -4.58 117.98 126.01 2j46 s PHE 282 Ca 0.71 0.95 0.02 0.00 -0.96 0.00 0.00 56.93 57.66 2j46 s PHE 282 Cb -0.45 -2.72 0.12 0.00 -0.34 0.00 0.00 43.02 39.63 2j46 s PHE 282 CO 0.50 -0.04 0.21 0.71 -1.46 0.00 0.00 175.22 175.14 2j46 s TYR 283 N 1.39 3.46 0.21 10.12 2.02 -1.26 -4.46 117.35 128.82 2j46 s TYR 283 Ca 0.29 -2.97 -0.10 0.00 -0.37 0.00 0.00 57.07 53.92 2j46 s TYR 283 Cb -0.16 -2.96 0.18 0.00 -0.40 0.00 0.00 41.96 38.62 2j46 s TYR 283 CO 0.12 -0.85 1.85 -1.35 -1.57 0.00 0.00 175.55 173.74 2j46 h PRO 284 N 7.13 0.83 -0.47 -1.71 0.11 -1.88 -0.93 132.00 135.08 2j46 h PRO 284 Ca -0.06 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.88 2j46 h PRO 284 Cb 0.96 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 2j46 h PRO 284 CO 0.64 0.55 -0.18 1.49 -0.21 0.00 0.00 178.00 180.28 2j46 h GLU 285 N 0.85 0.95 -0.69 1.05 4.81 -1.85 -0.66 114.58 119.04 2j46 h GLU 285 Ca 0.28 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2j46 h GLU 285 Cb 0.01 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 2j46 h GLU 285 CO -0.10 1.06 0.45 0.00 -0.73 0.00 0.00 179.01 179.69 2j46 h ARG 286 N 0.80 0.92 -0.56 1.92 3.08 -1.94 -1.87 114.38 116.73 2j46 h ARG 286 Ca 0.11 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 2j46 h ARG 286 Cb 0.75 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 2j46 h ARG 286 CO 0.06 0.62 -0.01 1.25 -1.07 0.00 0.00 179.97 180.82 2j46 h LEU 287 N 0.94 0.94 -0.50 3.04 5.85 -0.94 -1.02 115.31 123.62 2j46 h LEU 287 Ca 0.25 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.77 2j46 h LEU 287 Cb -0.09 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 40.64 2j46 h LEU 287 CO -0.05 1.00 0.22 0.00 -0.34 0.00 0.00 178.44 179.27 2j46 h ALA 288 N 1.10 0.62 -0.79 1.25 0.00 -0.90 -0.44 119.26 120.09 2j46 h ALA 288 Ca 0.16 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2j46 h ALA 288 Cb 0.53 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2j46 h ALA 288 CO 0.03 -0.15 0.36 0.78 0.00 0.00 0.00 179.25 180.27 2j46 h GLY 289 N 0.43 1.23 0.99 0.00 0.00 -0.86 -2.46 103.07 102.41 2j46 h GLY 289 Ca 0.23 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2j46 h GLY 289 CO -0.19 0.60 0.26 -0.09 0.00 0.00 0.00 176.54 177.12 2j46 h ARG 290 N 1.13 0.56 -0.65 4.80 2.43 -0.68 -0.79 114.38 121.17 2j46 h ARG 290 Ca 0.27 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.45 2j46 h ARG 290 Cb 0.14 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 2j46 h ARG 290 CO -0.03 0.39 0.43 0.82 -1.51 0.00 0.00 179.97 180.07 2j46 h ILE 291 N 0.55 1.04 -0.28 1.20 2.04 -0.87 -2.10 117.51 119.09 2j46 h ILE 291 Ca 0.15 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2j46 h ILE 291 Cb -0.03 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 2j46 h ILE 291 CO -0.03 0.13 0.00 0.18 0.00 0.00 0.00 178.15 178.43 2j46 n LEU 292 N -4.47 2.17 -0.09 1.44 4.77 -0.90 -4.47 117.00 115.45 2j46 n LEU 292 Ca 0.09 -0.97 -0.01 0.00 -0.03 0.00 0.00 56.01 55.09 2j46 n LEU 292 Cb 0.19 -0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 2j46 n LEU 292 CO 0.34 0.48 -0.01 0.61 -1.33 0.00 0.00 177.39 177.48 2j46 n GLY 293 N 1.21 0.50 3.82 -0.72 0.00 -0.78 -4.91 105.19 104.31 2j46 n GLY 293 Ca 0.16 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.59 4.17 0.76 1.61 -1.94 -0.37 -5.02 119.30 116.92 2j46 s MET 294 Ca 0.00 0.71 -0.14 0.00 -1.71 0.00 0.00 55.69 54.55 2j46 s MET 294 Cb 0.00 -3.14 0.06 0.00 2.01 0.00 0.00 34.83 33.75 2j46 s MET 294 CO 0.00 0.58 1.21 0.20 -0.01 0.00 0.00 175.02 177.01 2j46 s GLY 295 N -1.28 2.29 0.00 -0.03 0.00 -1.26 -4.19 107.32 102.85 2j46 s GLY 295 Ca 0.32 0.88 -0.02 0.00 0.00 0.00 0.00 44.72 45.90 2j46 s GLY 295 CO 0.19 1.29 1.93 1.34 0.00 0.00 0.00 173.10 177.86 2j46 n ASP 296 N -2.93 3.06 0.00 1.64 2.03 -1.26 -4.92 116.55 114.17 2j46 n ASP 296 Ca 0.14 -1.99 0.00 0.00 0.52 0.00 0.00 54.79 53.46 2j46 n ASP 296 Cb 0.50 -0.77 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 2j46 n ASP 296 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80