#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gjw n SER 2 N 0.00 -0.49 -1.28 3.14 2.88 -1.26 -4.90 113.62 111.70 3gjw n SER 2 Ca 0.00 1.14 0.08 0.00 -1.33 0.00 0.00 58.87 58.76 3gjw n SER 2 Cb 0.00 -1.04 0.31 0.00 -0.75 0.00 0.00 64.21 62.73 3gjw n SER 2 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3gjw n LYS 3 N 0.99 3.58 -3.12 -1.46 4.01 -1.26 -4.97 118.16 115.93 3gjw n LYS 3 Ca 0.16 -2.81 -0.28 0.00 -0.51 0.00 0.00 58.31 54.87 3gjw n LYS 3 Cb 0.26 -1.86 -0.03 0.00 -0.51 0.00 0.00 35.03 32.89 3gjw n LYS 3 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3gjw s LEU 4 N -2.23 3.94 0.65 -0.35 1.43 -1.26 -5.06 118.68 115.80 3gjw s LEU 4 Ca 0.45 0.83 -0.17 0.00 -1.03 0.00 0.00 54.13 54.21 3gjw s LEU 4 Cb 0.32 -3.68 -0.00 0.00 0.03 0.00 0.00 46.19 42.85 3gjw s LEU 4 CO 0.16 -0.31 1.21 -2.84 0.23 0.00 0.00 176.35 174.81 3gjw s PRO 5 N -3.85 2.61 0.13 1.29 0.02 -1.26 -4.83 135.00 129.12 3gjw s PRO 5 Ca 0.46 1.80 -0.19 0.00 0.02 0.00 0.00 61.00 63.09 3gjw s PRO 5 Cb -0.10 -1.89 -0.02 0.00 0.02 0.00 0.00 34.50 32.51 3gjw s PRO 5 CO 0.33 -1.48 1.71 -0.22 -0.33 0.00 0.00 177.00 177.01 3gjw h LYS 6 N 0.37 0.05 -0.36 5.54 3.64 -1.99 -1.84 116.57 121.97 3gjw h LYS 6 Ca -0.49 -0.00 0.10 0.00 -1.27 0.00 0.00 60.65 58.99 3gjw h LYS 6 Cb 1.30 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 3gjw h LYS 6 CO 0.53 0.03 0.30 -1.00 -2.27 0.00 0.00 179.45 177.04 3gjw h PRO 7 N 0.05 0.00 0.07 1.90 0.13 -1.98 0.20 132.00 132.36 3gjw h PRO 7 Ca 0.10 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.99 3gjw h PRO 7 Cb 0.14 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.29 3gjw h PRO 7 CO -0.19 0.00 -1.01 0.28 -0.23 0.00 0.00 178.00 176.86 3gjw h VAL 8 N 0.00 1.34 -0.54 1.56 2.07 -1.72 -2.27 116.25 116.69 3gjw h VAL 8 Ca 0.17 -2.32 -0.08 0.00 0.82 0.00 0.00 66.70 65.28 3gjw h VAL 8 Cb 0.77 2.65 -0.02 0.00 -1.52 0.00 0.00 31.29 33.17 3gjw h VAL 8 CO -0.00 0.70 0.01 1.56 0.02 0.00 0.00 177.57 179.86 3gjw h GLN 9 N 0.15 0.91 -0.17 1.57 4.20 -0.55 -1.93 115.11 119.29 3gjw h GLN 9 Ca -0.14 -0.26 -0.09 0.00 0.06 0.00 0.00 58.65 58.22 3gjw h GLN 9 Cb 1.70 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 29.37 3gjw h GLN 9 CO 0.19 0.90 -0.28 -0.44 -0.67 0.00 0.00 178.83 178.53 3gjw h ASP 10 N 0.85 0.33 -0.32 1.46 3.32 -0.69 -2.40 116.42 118.96 3gjw h ASP 10 Ca 0.16 -0.11 -0.13 0.00 0.02 0.00 0.00 57.03 56.97 3gjw h ASP 10 Cb 0.49 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3gjw h ASP 10 CO 0.02 0.61 -0.30 0.25 -1.72 0.00 0.00 179.24 178.10 3gjw h LEU 11 N 0.29 0.82 -0.58 1.55 5.85 -1.05 -2.44 115.31 119.75 3gjw h LEU 11 Ca 0.04 -0.47 0.01 0.00 0.84 0.00 0.00 57.88 58.31 3gjw h LEU 11 Cb 0.65 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3gjw h LEU 11 CO 0.05 1.12 0.38 0.40 -0.34 0.00 0.00 178.44 180.04 3gjw h ILE 12 N 0.54 1.12 -0.22 4.05 1.08 -1.13 -1.53 117.51 121.42 3gjw h ILE 12 Ca 0.05 -0.26 -0.02 0.00 -0.39 0.00 0.00 64.86 64.24 3gjw h ILE 12 Cb 0.88 0.29 -0.01 0.00 -3.07 0.00 0.00 36.82 34.91 3gjw h ILE 12 CO 0.08 0.14 0.07 0.11 -0.69 0.00 0.00 178.15 177.86 3gjw h LYS 13 N 0.76 0.33 -0.43 2.37 1.57 -1.42 -2.13 116.57 117.63 3gjw h LYS 13 Ca 0.22 -0.07 0.08 0.00 -1.87 0.00 0.00 60.65 59.02 3gjw h LYS 13 Cb -0.06 -0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.11 3gjw h LYS 13 CO -0.06 0.41 -0.33 1.98 -0.57 0.00 0.00 179.45 180.88 3gjw h MET 14 N 0.18 -0.23 0.00 3.15 4.05 -1.07 -1.54 114.93 119.48 3gjw h MET 14 Ca 0.07 0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.50 3gjw h MET 14 Cb 0.21 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.06 3gjw h MET 14 CO -0.00 -0.15 -0.02 -0.84 0.23 0.00 0.00 176.91 176.12 3gjw h ILE 15 N -0.24 0.04 -0.57 1.77 3.07 -1.18 -3.10 117.51 117.31 3gjw h ILE 15 Ca 0.18 -0.75 -0.23 0.00 1.55 0.00 0.00 64.86 65.62 3gjw h ILE 15 Cb 0.54 1.72 -0.14 0.00 -0.27 0.00 0.00 36.82 38.67 3gjw h ILE 15 CO -0.56 0.02 0.18 0.49 -1.05 0.00 0.00 178.15 177.23 3gjw n PHE 16 N -3.11 1.82 -2.37 0.16 3.72 -0.74 -4.49 117.46 112.44 3gjw n PHE 16 Ca 0.02 -1.42 -0.43 0.00 -0.05 0.00 0.00 57.45 55.57 3gjw n PHE 16 Cb 0.40 -0.61 -0.02 0.00 -0.94 0.00 0.00 39.48 38.31 3gjw n PHE 16 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3gjw s ASP 17 N -1.80 6.58 0.04 4.37 -1.08 -0.66 -4.91 116.67 119.21 3gjw s ASP 17 Ca 0.49 1.19 -0.22 0.00 -0.52 0.00 0.00 52.55 53.49 3gjw s ASP 17 Cb 0.42 -2.54 -0.15 0.00 -1.46 0.00 0.00 42.92 39.20 3gjw s ASP 17 CO 0.07 -1.16 1.41 1.62 0.52 0.00 0.00 175.17 177.63 3gjw h VAL 18 N 6.07 1.30 -0.76 1.11 3.04 -1.93 -3.01 116.25 122.08 3gjw h VAL 18 Ca -0.27 -1.00 0.17 0.00 -1.01 0.00 0.00 66.70 64.59 3gjw h VAL 18 Cb 1.11 1.73 -0.12 0.00 -2.01 0.00 0.00 31.29 31.99 3gjw h VAL 18 CO 1.04 0.29 0.15 -0.33 -1.01 0.00 0.00 177.57 177.70 3gjw h GLU 19 N -0.10 0.22 -0.11 4.17 4.39 -2.00 0.28 114.58 121.44 3gjw h GLU 19 Ca 0.03 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 3gjw h GLU 19 Cb 0.46 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 3gjw h GLU 19 CO 0.01 0.15 -0.06 0.77 -1.16 0.00 0.00 179.01 178.72 3gjw h SER 20 N 0.23 0.14 -0.24 1.42 0.02 -1.93 0.76 113.55 113.94 3gjw h SER 20 Ca 0.43 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.31 3gjw h SER 20 Cb 0.77 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 3gjw h SER 20 CO -0.56 0.22 -0.05 0.24 -1.14 0.00 0.00 176.83 175.54 3gjw h MET 21 N 0.15 0.46 -0.45 3.45 2.86 -0.36 -1.44 114.93 119.60 3gjw h MET 21 Ca 0.03 -0.17 -0.08 0.00 -2.06 0.00 0.00 59.70 57.42 3gjw h MET 21 Cb 0.21 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 3gjw h MET 21 CO 0.01 0.68 -0.04 0.87 1.06 0.00 0.00 176.91 179.49 3gjw h LYS 22 N 0.20 0.82 -0.71 1.72 1.57 -0.67 -2.55 116.57 116.95 3gjw h LYS 22 Ca 0.06 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 58.51 3gjw h LYS 22 Cb 0.51 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 3gjw h LYS 22 CO 0.02 0.90 0.26 -0.22 -0.57 0.00 0.00 179.45 179.84 3gjw h LYS 23 N 0.66 1.08 0.00 3.15 3.64 -0.86 0.39 116.57 124.63 3gjw h LYS 23 Ca 0.12 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.26 3gjw h LYS 23 Cb 0.55 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3gjw h LYS 23 CO 0.03 0.91 -0.12 0.00 -2.27 0.00 0.00 179.45 178.00 3gjw h ALA 24 N 1.12 1.64 0.00 5.00 0.00 -1.09 -0.47 119.26 125.46 3gjw h ALA 24 Ca 0.23 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3gjw h ALA 24 Cb 0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3gjw h ALA 24 CO -0.01 0.15 -0.52 0.52 0.00 0.00 0.00 179.25 179.39 3gjw h MET 25 N 0.00 0.00 -0.75 0.00 2.86 -0.99 -3.20 114.93 112.85 3gjw h MET 25 Ca -0.00 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.72 3gjw h MET 25 Cb 0.23 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.84 3gjw h MET 25 CO 0.02 0.90 0.49 0.28 1.06 0.00 0.00 176.91 179.66 3gjw h VAL 26 N -1.00 0.97 0.00 -2.22 2.07 -0.91 0.69 116.25 115.85 3gjw h VAL 26 Ca -0.14 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 3gjw h VAL 26 Cb 1.04 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3gjw h VAL 26 CO -0.08 0.13 -0.01 -0.33 0.02 0.00 0.00 177.57 177.29 3gjw h GLU 27 N 0.71 0.00 -0.06 1.57 5.08 -1.19 1.23 114.58 121.93 3gjw h GLU 27 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3gjw h GLU 27 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3gjw h GLU 27 CO -0.12 0.01 0.00 0.66 -1.00 0.00 0.00 179.01 178.56 3gjw n TYR 28 N -3.19 0.05 -1.15 4.33 4.01 0.23 -4.91 117.16 116.54 3gjw n TYR 28 Ca -0.02 -0.03 -0.05 0.00 -0.16 0.00 0.00 57.90 57.64 3gjw n TYR 28 Cb 0.16 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.16 3gjw n TYR 28 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3gjw n GLU 29 N 0.51 -0.36 -2.34 -0.72 4.71 0.42 -4.96 120.64 117.90 3gjw n GLU 29 Ca 0.18 0.68 -0.41 0.00 -0.01 0.00 0.00 57.16 57.59 3gjw n GLU 29 Cb 0.42 -4.39 -0.03 0.00 -1.01 0.00 0.00 31.44 26.42 3gjw n GLU 29 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 3gjw s ILE 30 N -2.19 3.49 -0.37 -3.67 1.01 -0.81 -0.46 121.20 118.21 3gjw s ILE 30 Ca 0.00 1.25 -0.29 0.00 0.00 0.00 0.00 60.65 61.61 3gjw s ILE 30 Cb 0.00 -3.80 0.01 0.00 0.01 0.00 0.00 42.46 38.68 3gjw s ILE 30 CO 0.00 0.20 1.39 -0.62 0.00 0.00 0.00 174.94 175.91 3gjw s ASP 31 N 0.17 6.42 0.37 3.58 3.68 -0.65 -4.43 116.67 125.80 3gjw s ASP 31 Ca 0.54 0.96 0.19 0.00 2.13 0.00 0.00 52.55 56.37 3gjw s ASP 31 Cb -0.33 -2.54 0.59 0.00 -1.45 0.00 0.00 42.92 39.18 3gjw s ASP 31 CO 0.37 -1.34 1.68 -0.07 0.13 0.00 0.00 175.17 175.95 3gjw h LEU 32 N 11.85 0.00 0.04 -1.34 3.38 -1.90 -0.88 115.31 126.46 3gjw h LEU 32 Ca -0.27 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 3gjw h LEU 32 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3gjw h LEU 32 CO 1.07 0.36 -0.02 1.56 0.09 0.00 0.00 178.44 181.50 3gjw h GLN 33 N 0.00 -0.05 0.24 1.13 1.08 -1.99 -2.92 115.11 112.60 3gjw h GLN 33 Ca -0.00 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 56.87 3gjw h GLN 33 Cb 0.98 0.01 0.03 0.00 -0.05 0.00 0.00 27.48 28.46 3gjw h GLN 33 CO 0.05 0.40 -1.46 1.57 -0.95 0.00 0.00 178.83 178.44 3gjw h LYS 34 N -0.51 0.51 -3.10 1.46 2.10 -1.98 -3.39 116.57 111.65 3gjw h LYS 34 Ca -0.00 -0.87 -0.65 0.00 -2.00 0.00 0.00 60.65 57.12 3gjw h LYS 34 Cb 0.47 0.33 -0.40 0.00 -0.90 0.00 0.00 32.23 31.73 3gjw h LYS 34 CO 0.01 1.42 -0.41 -0.12 -2.00 0.00 0.00 179.45 178.35 3gjw n MET 35 N -3.69 2.16 -1.80 0.07 0.00 -0.33 -5.00 117.12 108.52 3gjw n MET 35 Ca -0.16 -4.50 -0.29 0.00 0.00 0.00 0.00 57.70 52.75 3gjw n MET 35 Cb 1.10 -2.33 0.10 0.00 0.00 0.00 0.00 33.22 32.09 3gjw n MET 35 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 3gjw s PRO 36 N -1.53 1.76 0.21 2.12 0.04 -1.10 -4.38 135.00 132.12 3gjw s PRO 36 Ca 0.27 0.16 -0.09 0.00 0.04 0.00 0.00 61.00 61.38 3gjw s PRO 36 Cb -0.04 -1.92 0.30 0.00 0.04 0.00 0.00 34.50 32.88 3gjw s PRO 36 CO -0.15 -1.75 1.75 -0.07 0.04 0.00 0.00 177.00 176.83 3gjw h LEU 37 N -1.17 0.30 -2.54 -3.56 3.38 -1.98 -1.17 115.31 108.57 3gjw h LEU 37 Ca -0.47 0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.58 3gjw h LEU 37 Cb 1.33 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 3gjw h LEU 37 CO 0.65 0.17 0.06 1.23 0.09 0.00 0.00 178.44 180.65 3gjw h GLY 38 N 0.47 0.00 -1.07 0.83 0.00 -1.99 -0.93 103.07 100.38 3gjw h GLY 38 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 3gjw h GLY 38 CO -0.29 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.42 3gjw n LYS 39 N -3.57 1.88 -2.29 4.80 4.81 -0.45 -4.90 118.16 118.44 3gjw n LYS 39 Ca -0.02 -1.32 -0.42 0.00 -0.87 0.00 0.00 58.31 55.68 3gjw n LYS 39 Cb 0.15 -1.43 -0.03 0.00 0.02 0.00 0.00 35.03 33.74 3gjw n LYS 39 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3gjw s LEU 40 N -1.66 4.32 -0.00 3.14 1.43 -0.36 -4.95 118.68 120.60 3gjw s LEU 40 Ca 0.34 2.05 0.02 0.00 -1.03 0.00 0.00 54.13 55.52 3gjw s LEU 40 Cb 0.19 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.84 3gjw s LEU 40 CO 0.29 -0.66 -0.07 -0.94 0.23 0.00 0.00 176.35 175.20 3gjw s SER 41 N 1.64 0.79 0.25 2.29 1.04 -1.26 -5.02 113.70 113.43 3gjw s SER 41 Ca 0.62 -0.15 -0.04 0.00 0.48 0.00 0.00 55.95 56.85 3gjw s SER 41 Cb -0.30 -0.08 0.28 0.00 0.10 0.00 0.00 66.02 66.02 3gjw s SER 41 CO 0.26 0.06 1.79 0.11 0.98 0.00 0.00 173.24 176.44 3gjw h LYS 42 N 5.87 0.98 -0.41 4.02 1.57 -1.96 -2.36 116.57 124.27 3gjw h LYS 42 Ca -0.29 -0.21 0.06 0.00 -1.87 0.00 0.00 60.65 58.34 3gjw h LYS 42 Cb 1.19 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 3gjw h LYS 42 CO 0.49 0.86 0.28 0.00 -0.57 0.00 0.00 179.45 180.51 3gjw h ARG 43 N 0.94 0.29 0.00 3.15 -0.00 -1.99 0.20 114.38 116.98 3gjw h ARG 43 Ca 0.21 -0.02 -0.16 0.00 -0.50 0.00 0.00 59.98 59.51 3gjw h ARG 43 Cb 0.30 -0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.19 3gjw h ARG 43 CO -0.00 0.19 -0.75 0.37 0.00 0.00 0.00 179.97 179.78 3gjw h GLN 44 N 0.30 0.00 0.02 0.04 4.15 -1.86 -2.92 115.11 114.85 3gjw h GLN 44 Ca 0.18 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.39 3gjw h GLN 44 Cb 0.34 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 3gjw h GLN 44 CO -0.04 0.75 -0.99 0.82 -1.93 0.00 0.00 178.83 177.44 3gjw h ILE 45 N 0.00 1.62 -0.44 2.39 2.04 -0.72 -2.77 117.51 119.63 3gjw h ILE 45 Ca -0.01 -3.13 -0.13 0.00 1.00 0.00 0.00 64.86 62.59 3gjw h ILE 45 Cb 1.49 2.75 -0.01 0.00 -0.74 0.00 0.00 36.82 40.31 3gjw h ILE 45 CO 0.10 0.90 -0.24 1.56 0.00 0.00 0.00 178.15 180.47 3gjw h GLN 46 N 0.03 0.92 -0.21 2.37 4.20 -0.71 -1.39 115.11 120.32 3gjw h GLN 46 Ca -0.04 -0.40 -0.08 0.00 0.06 0.00 0.00 58.65 58.20 3gjw h GLN 46 Cb 1.71 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.45 3gjw h GLN 46 CO 0.14 1.05 -0.23 0.00 -0.67 0.00 0.00 178.83 179.12 3gjw h ALA 47 N 0.93 1.22 -0.04 3.87 0.00 -1.51 -1.75 119.26 121.98 3gjw h ALA 47 Ca 0.10 -0.31 -0.20 0.00 0.00 0.00 0.00 54.91 54.50 3gjw h ALA 47 Cb 0.80 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 3gjw h ALA 47 CO 0.07 0.51 -0.83 0.00 0.00 0.00 0.00 179.25 179.00 3gjw h ALA 48 N 1.42 0.49 -0.24 0.00 0.00 -1.28 -1.71 119.26 117.95 3gjw h ALA 48 Ca 0.05 -0.66 0.02 0.00 0.00 0.00 0.00 54.91 54.33 3gjw h ALA 48 Cb 0.60 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3gjw h ALA 48 CO 0.04 0.79 0.09 1.88 0.00 0.00 0.00 179.25 182.05 3gjw h TYR 49 N 0.25 0.16 -0.82 0.00 0.05 -0.91 -0.18 116.97 115.52 3gjw h TYR 49 Ca -0.05 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 3gjw h TYR 49 Cb 1.43 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 39.10 3gjw h TYR 49 CO 0.05 0.08 0.48 0.77 -1.05 0.00 0.00 178.16 178.49 3gjw h SER 50 N 0.20 1.00 -0.15 3.88 0.02 -1.22 -0.10 113.55 117.17 3gjw h SER 50 Ca 0.10 -0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.86 3gjw h SER 50 Cb 0.06 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 3gjw h SER 50 CO -0.10 0.78 -0.29 0.40 -1.14 0.00 0.00 176.83 176.48 3gjw h ILE 51 N 1.13 1.28 -0.34 3.27 2.04 -1.01 -1.03 117.51 122.85 3gjw h ILE 51 Ca 0.29 -1.40 -0.14 0.00 1.00 0.00 0.00 64.86 64.62 3gjw h ILE 51 Cb -0.02 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 3gjw h ILE 51 CO -0.05 0.45 -0.34 -0.07 0.00 0.00 0.00 178.15 178.14 3gjw h LEU 52 N 0.54 0.79 -1.30 1.44 3.38 -0.56 -0.58 115.31 119.01 3gjw h LEU 52 Ca 0.07 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 3gjw h LEU 52 Cb 0.77 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3gjw h LEU 52 CO 0.06 1.05 -0.30 0.28 0.09 0.00 0.00 178.44 179.63 3gjw h SER 53 N 0.63 0.08 0.87 -0.43 0.02 -0.92 -2.21 113.55 111.60 3gjw h SER 53 Ca 0.07 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 3gjw h SER 53 Cb 0.87 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 3gjw h SER 53 CO 0.08 0.38 -0.55 -0.33 -1.14 0.00 0.00 176.83 175.27 3gjw h GLU 54 N 0.08 0.00 -0.12 3.45 5.08 -0.20 -2.73 114.58 120.14 3gjw h GLU 54 Ca 0.01 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.14 3gjw h GLU 54 Cb 0.57 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.83 3gjw h GLU 54 CO 0.04 0.55 -0.84 0.28 -1.00 0.00 0.00 179.01 178.04 3gjw h VAL 55 N 0.00 1.28 -0.62 3.13 2.07 -0.79 -2.63 116.25 118.70 3gjw h VAL 55 Ca -0.01 -2.05 -0.03 0.00 0.82 0.00 0.00 66.70 65.43 3gjw h VAL 55 Cb 1.13 2.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.95 3gjw h VAL 55 CO 0.07 0.64 0.26 -0.61 0.02 0.00 0.00 177.57 177.95 3gjw h GLN 56 N 0.49 0.92 -0.60 1.57 5.75 -1.36 0.31 115.11 122.19 3gjw h GLN 56 Ca -0.07 -0.16 -0.04 0.00 -0.15 0.00 0.00 58.65 58.23 3gjw h GLN 56 Cb 1.47 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.84 3gjw h GLN 56 CO 0.17 0.77 0.21 1.96 -2.65 0.00 0.00 178.83 179.29 3gjw h GLN 57 N 0.86 0.89 -0.13 1.69 4.20 -1.52 0.20 115.11 121.31 3gjw h GLN 57 Ca 0.21 -0.16 -0.23 0.00 0.06 0.00 0.00 58.65 58.54 3gjw h GLN 57 Cb 0.19 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 27.83 3gjw h GLN 57 CO -0.02 0.75 -0.81 0.00 -0.67 0.00 0.00 178.83 178.08 3gjw h ALA 58 N 1.36 0.31 -0.07 3.87 0.00 -1.10 -1.15 119.26 122.49 3gjw h ALA 58 Ca 0.20 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 3gjw h ALA 58 Cb 0.22 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3gjw h ALA 58 CO -0.01 0.69 0.02 0.28 0.00 0.00 0.00 179.25 180.23 3gjw h VAL 59 N 0.50 1.15 0.00 0.00 2.07 -0.04 0.44 116.25 120.37 3gjw h VAL 59 Ca -0.06 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 3gjw h VAL 59 Cb 1.44 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 32.53 3gjw h VAL 59 CO 0.16 0.13 -0.14 -1.28 0.02 0.00 0.00 177.57 176.46 3gjw h SER 60 N -0.06 0.00 0.43 0.57 0.87 -0.65 -2.49 113.55 112.22 3gjw h SER 60 Ca 0.02 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.27 3gjw h SER 60 Cb 0.18 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 3gjw h SER 60 CO -0.00 0.14 -1.53 -0.61 -0.53 0.00 0.00 176.83 174.30 3gjw h GLN 61 N 0.00 0.28 -0.81 2.24 5.75 -0.95 -3.49 115.11 118.13 3gjw h GLN 61 Ca -0.00 -0.48 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 3gjw h GLN 61 Cb 0.61 0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.34 3gjw h GLN 61 CO 0.02 1.16 0.00 0.41 -2.65 0.00 0.00 178.83 177.76 3gjw n GLY 62 N 1.68 0.75 3.54 2.39 0.00 0.14 -5.06 105.19 108.63 3gjw n GLY 62 Ca -0.17 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 3gjw n GLY 62 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gjw n SER 63 N 0.20 -0.46 -4.52 1.61 7.64 -0.63 -4.89 113.62 112.57 3gjw n SER 63 Ca 0.00 0.58 -0.42 0.00 1.01 0.00 0.00 58.87 60.04 3gjw n SER 63 Cb 0.28 -1.32 -0.03 0.00 -1.01 0.00 0.00 64.21 62.13 3gjw n SER 63 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3gjw s SER 64 N -1.70 6.51 0.07 6.43 0.01 -1.26 -4.89 113.70 118.86 3gjw s SER 64 Ca 0.68 -1.56 0.00 0.00 1.31 0.00 0.00 55.95 56.38 3gjw s SER 64 Cb -0.32 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.40 3gjw s SER 64 CO 0.56 -1.39 0.00 0.47 0.41 0.00 0.00 173.24 173.28 3gjw n ASP 65 N 8.18 0.00 0.00 2.44 8.00 -1.26 -3.62 116.55 130.30 3gjw n ASP 65 Ca 0.27 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.77 3gjw n ASP 65 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 3gjw n ASP 65 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3gjw n SER 66 N 3.93 0.00 -0.07 -2.24 3.41 -1.26 0.27 113.62 117.66 3gjw n SER 66 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.46 3gjw n SER 66 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 3gjw n SER 66 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3gjw h GLN 67 N 0.00 0.73 -0.27 4.33 4.20 -1.93 -1.89 115.11 120.27 3gjw h GLN 67 Ca 0.00 -0.46 -0.11 0.00 0.06 0.00 0.00 58.65 58.15 3gjw h GLN 67 Cb 0.00 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 3gjw h GLN 67 CO 0.00 1.08 -0.24 0.82 -0.67 0.00 0.00 178.83 179.82 3gjw h ILE 68 N 0.45 1.31 -0.33 2.54 2.04 0.35 -2.01 117.51 121.85 3gjw h ILE 68 Ca 0.01 -1.39 -0.02 0.00 1.00 0.00 0.00 64.86 64.46 3gjw h ILE 68 Cb 1.04 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 38.70 3gjw h ILE 68 CO 0.10 0.44 0.14 0.25 0.00 0.00 0.00 178.15 179.08 3gjw h LEU 69 N 0.38 0.42 -0.02 1.44 5.85 -1.60 0.09 115.31 121.87 3gjw h LEU 69 Ca 0.05 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 3gjw h LEU 69 Cb 0.80 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.73 3gjw h LEU 69 CO 0.06 0.37 -0.29 -0.78 -0.34 0.00 0.00 178.44 177.47 3gjw h ASP 70 N 0.47 0.29 -0.02 1.25 1.82 -1.24 -1.75 116.42 117.24 3gjw h ASP 70 Ca 0.12 -0.72 -0.02 0.00 -0.39 0.00 0.00 57.03 56.02 3gjw h ASP 70 Cb 0.08 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 3gjw h ASP 70 CO -0.01 0.97 -0.02 -0.07 -1.61 0.00 0.00 179.24 178.50 3gjw h LEU 71 N -0.37 0.12 -0.30 2.28 4.07 -1.12 0.13 115.31 120.12 3gjw h LEU 71 Ca -0.03 -0.01 -0.20 0.00 0.08 0.00 0.00 57.88 57.72 3gjw h LEU 71 Cb 1.00 -0.03 -0.00 0.00 1.08 0.00 0.00 40.66 42.70 3gjw h LEU 71 CO 0.06 0.17 -0.83 -1.28 -1.08 0.00 0.00 178.44 175.48 3gjw h SER 72 N 0.13 0.48 0.20 -0.43 0.87 -0.97 -2.45 113.55 111.38 3gjw h SER 72 Ca 0.03 -0.35 -0.18 0.00 -1.23 0.00 0.00 61.79 60.06 3gjw h SER 72 Cb 0.14 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 3gjw h SER 72 CO 0.00 1.12 -0.70 0.78 -0.53 0.00 0.00 176.83 177.51 3gjw h ASN 73 N 0.24 0.52 -0.45 6.23 2.35 -0.32 -2.53 115.58 121.62 3gjw h ASN 73 Ca -0.05 -0.33 -0.02 0.00 -0.55 0.00 0.00 56.30 55.35 3gjw h ASN 73 Cb 1.44 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.63 3gjw h ASN 73 CO 0.14 1.06 0.22 0.03 -1.65 0.00 0.00 177.43 177.23 3gjw h ARG 74 N 0.31 0.65 -0.41 0.81 3.08 -0.72 -1.67 114.38 116.43 3gjw h ARG 74 Ca -0.02 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 3gjw h ARG 74 Cb 1.26 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.18 3gjw h ARG 74 CO 0.12 0.55 0.13 0.35 -1.07 0.00 0.00 179.97 180.05 3gjw h PHE 75 N 0.59 0.66 0.00 3.04 3.57 -1.38 -2.41 116.94 121.01 3gjw h PHE 75 Ca 0.15 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3gjw h PHE 75 Cb 0.11 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.66 3gjw h PHE 75 CO -0.01 0.61 0.00 1.88 -2.23 0.00 0.00 178.31 178.56 3gjw h TYR 76 N 0.52 0.00 0.07 0.41 0.05 -1.32 -0.28 116.97 116.42 3gjw h TYR 76 Ca 0.13 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.67 3gjw h TYR 76 Cb 0.26 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.99 3gjw h TYR 76 CO 0.01 0.00 -1.11 1.15 -1.05 0.00 0.00 178.16 177.16 3gjw h THR 77 N 0.00 1.56 0.12 -2.88 2.02 -0.99 -3.21 112.91 109.53 3gjw h THR 77 Ca 0.00 -3.09 -0.29 0.00 0.77 0.00 0.00 66.41 63.80 3gjw h THR 77 Cb 0.46 2.84 -0.00 0.00 -1.74 0.00 0.00 68.15 69.71 3gjw h THR 77 CO 0.00 0.90 -1.38 0.25 0.37 0.00 0.00 175.52 175.65 3gjw h LEU 78 N 0.06 0.39 -7.32 2.58 5.85 -1.10 -3.40 115.31 112.38 3gjw h LEU 78 Ca -0.08 -0.48 -0.65 0.00 0.84 0.00 0.00 57.88 57.51 3gjw h LEU 78 Cb 1.84 -0.13 -0.40 0.00 0.37 0.00 0.00 40.66 42.34 3gjw h LEU 78 CO 0.17 1.39 -0.55 -0.63 -0.34 0.00 0.00 178.44 178.48 3gjw s ILE 79 N -2.64 2.91 -0.26 4.05 -1.09 -0.15 -5.04 121.20 118.99 3gjw s ILE 79 Ca -0.06 -3.58 -0.37 0.00 -2.23 0.00 0.00 60.65 54.40 3gjw s ILE 79 Cb 0.07 -2.96 -0.13 0.00 -1.58 0.00 0.00 42.46 37.86 3gjw s ILE 79 CO 0.87 -0.88 1.92 -2.65 -1.23 0.00 0.00 174.94 172.96 3gjw n PRO 80 N 2.79 1.37 -4.38 2.79 -0.02 -1.21 -4.57 135.00 131.77 3gjw n PRO 80 Ca 0.10 0.47 -0.26 0.00 -2.02 0.00 0.00 63.50 61.79 3gjw n PRO 80 Cb 0.34 -2.33 -0.09 0.00 -0.02 0.00 0.00 33.50 31.39 3gjw n PRO 80 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3gjw s HIS 81 N 4.83 2.55 -0.31 6.00 3.76 -1.26 -1.64 115.29 129.22 3gjw s HIS 81 Ca 1.01 -0.60 -0.02 0.00 -0.15 0.00 0.00 55.06 55.30 3gjw s HIS 81 Cb -0.92 -1.80 0.10 0.00 1.11 0.00 0.00 32.58 31.07 3gjw s HIS 81 CO 0.58 0.35 0.12 0.34 -0.85 0.00 0.00 174.74 175.28 3gjw s ASP 82 N -3.78 3.79 0.00 1.40 3.68 0.40 -4.50 116.67 117.65 3gjw s ASP 82 Ca 0.37 -1.63 0.11 0.00 2.13 0.00 0.00 52.55 53.54 3gjw s ASP 82 Cb 0.06 -0.68 0.27 0.00 -1.45 0.00 0.00 42.92 41.12 3gjw s ASP 82 CO 0.20 -0.41 1.19 0.49 0.13 0.00 0.00 175.17 176.77 3gjw n PHE 83 N 4.84 0.39 -4.29 -5.34 3.72 -1.26 -4.89 117.46 110.62 3gjw n PHE 83 Ca -0.02 -0.41 0.00 0.00 -0.05 0.00 0.00 57.45 56.97 3gjw n PHE 83 Cb 0.41 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 3gjw n PHE 83 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gjw n GLY 84 N 0.56 0.45 1.13 1.37 0.00 -1.26 -3.60 105.19 103.83 3gjw n GLY 84 Ca 0.11 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3gjw n GLY 84 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3gjw n MET 85 N 4.99 0.71 -4.36 1.61 2.81 -1.26 -4.67 117.12 116.94 3gjw n MET 85 Ca 0.00 0.00 -0.20 0.00 -1.81 0.00 0.00 57.70 55.69 3gjw n MET 85 Cb 0.00 -1.15 -0.15 0.00 -0.71 0.00 0.00 33.22 31.21 3gjw n MET 85 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3gjw s LYS 86 N 0.35 0.87 0.44 0.03 1.02 -1.24 -5.13 119.74 116.09 3gjw s LYS 86 Ca 0.00 -0.29 -0.23 0.00 0.02 0.00 0.00 55.97 55.47 3gjw s LYS 86 Cb 0.00 -0.82 -0.08 0.00 -0.52 0.00 0.00 37.83 36.41 3gjw s LYS 86 CO 0.00 0.13 1.09 -1.59 -0.92 0.00 0.00 175.35 174.06 3gjw s LYS 87 N 0.11 3.92 1.12 1.68 -2.85 -1.26 -4.61 119.74 117.84 3gjw s LYS 87 Ca -0.02 1.58 -0.18 0.00 -1.00 0.00 0.00 55.97 56.36 3gjw s LYS 87 Cb -0.07 -2.39 0.14 0.00 -2.06 0.00 0.00 37.83 33.45 3gjw s LYS 87 CO 0.00 -0.37 0.14 -2.30 0.10 0.00 0.00 175.35 172.92 3gjw n PRO 88 N -0.43 -2.04 -2.81 1.78 -0.02 -1.26 -4.89 135.00 125.33 3gjw n PRO 88 Ca 0.07 -0.59 -0.40 0.00 -2.02 0.00 0.00 63.50 60.56 3gjw n PRO 88 Cb 0.50 -1.64 -0.06 0.00 -0.02 0.00 0.00 33.50 32.28 3gjw n PRO 88 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3gjw s PRO 89 N -3.55 4.73 0.06 0.52 0.02 -1.26 -4.98 135.00 130.54 3gjw s PRO 89 Ca 0.51 1.37 -0.31 0.00 0.02 0.00 0.00 61.00 62.60 3gjw s PRO 89 Cb -0.10 -3.31 -0.07 0.00 0.02 0.00 0.00 34.50 31.04 3gjw s PRO 89 CO 0.56 0.44 1.51 -1.17 -0.33 0.00 0.00 177.00 178.01 3gjw s LEU 90 N -0.79 4.35 -1.27 -5.54 2.96 -1.26 -4.91 118.68 112.22 3gjw s LEU 90 Ca 0.41 2.33 -0.14 0.00 -0.22 0.00 0.00 54.13 56.51 3gjw s LEU 90 Cb -0.24 -3.57 0.14 0.00 0.50 0.00 0.00 46.19 43.02 3gjw s LEU 90 CO 0.29 -0.78 1.65 0.18 -1.32 0.00 0.00 176.35 176.37 3gjw n LEU 91 N 5.14 5.53 -0.47 -0.68 4.77 -1.26 -4.68 117.00 125.36 3gjw n LEU 91 Ca 0.14 -4.34 0.04 0.00 -0.03 0.00 0.00 56.01 51.83 3gjw n LEU 91 Cb 0.42 -1.63 0.11 0.00 -2.33 0.00 0.00 43.42 39.98 3gjw n LEU 91 CO 0.60 0.73 0.57 -0.46 -1.33 0.00 0.00 177.39 177.51 3gjw n ASN 92 N 6.03 2.58 -3.39 -1.43 2.04 -1.26 -4.92 115.26 114.91 3gjw n ASN 92 Ca 0.42 -1.92 -0.18 0.00 -0.44 0.00 0.00 54.58 52.46 3gjw n ASN 92 Cb 0.42 -0.15 -0.07 0.00 -2.53 0.00 0.00 39.78 37.44 3gjw n ASN 92 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 3gjw s ASN 93 N -0.96 1.35 0.09 0.53 2.20 -1.26 -4.88 114.94 112.00 3gjw s ASN 93 Ca 0.17 -1.66 -0.15 0.00 -0.94 0.00 0.00 52.86 50.29 3gjw s ASN 93 Cb 0.09 0.57 -0.12 0.00 -2.00 0.00 0.00 41.25 39.79 3gjw s ASN 93 CO 0.12 -1.11 1.35 0.00 -2.94 0.00 0.00 177.10 174.51 3gjw h ALA 94 N 2.17 0.35 -0.46 3.54 0.00 -1.98 -3.10 119.26 119.77 3gjw h ALA 94 Ca -0.27 -0.49 0.03 0.00 0.00 0.00 0.00 54.91 54.18 3gjw h ALA 94 Cb 1.24 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 3gjw h ALA 94 CO 0.38 0.52 0.26 0.22 0.00 0.00 0.00 179.25 180.63 3gjw h ASP 95 N 0.43 0.41 -0.47 0.00 1.82 -1.99 -2.45 116.42 114.17 3gjw h ASP 95 Ca 0.00 0.01 -0.04 0.00 -0.39 0.00 0.00 57.03 56.61 3gjw h ASP 95 Cb 1.09 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 41.01 3gjw h ASP 95 CO 0.11 0.29 0.15 -1.28 -1.61 0.00 0.00 179.24 176.90 3gjw h SER 96 N 0.52 0.72 0.63 2.28 0.87 -1.94 -2.23 113.55 114.41 3gjw h SER 96 Ca 0.19 -0.11 -0.27 0.00 -1.23 0.00 0.00 61.79 60.36 3gjw h SER 96 Cb 0.05 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 3gjw h SER 96 CO -0.10 0.70 -1.38 -0.37 -0.53 0.00 0.00 176.83 175.14 3gjw h VAL 97 N 0.76 1.29 -0.63 2.23 -1.51 -1.47 -3.10 116.25 113.82 3gjw h VAL 97 Ca 0.17 -2.99 -0.02 0.00 -1.23 0.00 0.00 66.70 62.64 3gjw h VAL 97 Cb 0.25 2.74 -0.03 0.00 -2.13 0.00 0.00 31.29 32.12 3gjw h VAL 97 CO -0.01 0.81 0.31 -0.61 -1.23 0.00 0.00 177.57 176.85 3gjw h GLN 98 N 0.04 0.89 -0.57 5.19 4.15 -1.38 0.58 115.11 124.01 3gjw h GLN 98 Ca -0.17 -0.12 -0.03 0.00 0.77 0.00 0.00 58.65 59.10 3gjw h GLN 98 Cb 1.94 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 29.44 3gjw h GLN 98 CO 0.14 0.71 0.25 0.00 -1.93 0.00 0.00 178.83 178.00 3gjw h ALA 99 N 1.14 0.73 -0.25 3.38 0.00 -1.49 -0.15 119.26 122.63 3gjw h ALA 99 Ca 0.22 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 3gjw h ALA 99 Cb 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3gjw h ALA 99 CO -0.03 0.32 -0.35 0.87 0.00 0.00 0.00 179.25 180.06 3gjw h LYS 100 N 0.77 0.55 -0.43 0.00 1.79 -1.36 -2.20 116.57 115.69 3gjw h LYS 100 Ca 0.19 -0.25 -0.12 0.00 -2.18 0.00 0.00 60.65 58.28 3gjw h LYS 100 Cb 0.16 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 3gjw h LYS 100 CO -0.02 0.82 -0.22 0.00 -1.08 0.00 0.00 179.45 178.95 3gjw h ALA 101 N 1.16 0.79 0.00 3.86 0.00 0.56 -1.53 119.26 124.11 3gjw h ALA 101 Ca 0.05 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 3gjw h ALA 101 Cb 0.83 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3gjw h ALA 101 CO 0.07 0.65 -0.49 0.93 0.00 0.00 0.00 179.25 180.41 3gjw h GLU 102 N 0.75 0.00 0.24 0.00 5.08 -0.95 -2.68 114.58 117.03 3gjw h GLU 102 Ca 0.10 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3gjw h GLU 102 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3gjw h GLU 102 CO 0.06 0.49 -0.12 1.98 -1.00 0.00 0.00 179.01 180.42 3gjw h MET 103 N 0.00 -0.32 -0.99 2.33 4.05 -0.86 -2.96 114.93 116.19 3gjw h MET 103 Ca -0.00 0.02 0.18 0.00 -0.28 0.00 0.00 59.70 59.61 3gjw h MET 103 Cb 0.93 0.07 -0.10 0.00 -0.80 0.00 0.00 31.60 31.70 3gjw h MET 103 CO 0.06 -0.04 0.59 -0.07 0.23 0.00 0.00 176.91 177.69 3gjw h LEU 104 N -0.59 0.78 0.08 3.39 3.38 -1.16 -0.07 115.31 121.12 3gjw h LEU 104 Ca -0.03 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3gjw h LEU 104 Cb 0.43 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3gjw h LEU 104 CO 0.05 0.30 -0.21 0.44 0.09 0.00 0.00 178.44 179.11 3gjw h ASP 105 N 0.78 -0.59 -0.51 -0.43 3.32 -1.31 0.55 116.42 118.23 3gjw h ASP 105 Ca 0.56 0.07 -0.08 0.00 0.02 0.00 0.00 57.03 57.60 3gjw h ASP 105 Cb 0.82 0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 3gjw h ASP 105 CO -0.37 -0.29 0.00 -1.13 -1.72 0.00 0.00 179.24 175.74 3gjw h ASN 106 N -0.38 0.88 -0.44 6.45 -1.24 -1.34 -2.09 115.58 117.42 3gjw h ASN 106 Ca 0.03 -0.30 0.11 0.00 0.71 0.00 0.00 56.30 56.85 3gjw h ASN 106 Cb 0.41 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.21 3gjw h ASN 106 CO -0.13 0.97 0.31 -0.07 -1.29 0.00 0.00 177.43 177.21 3gjw h LEU 107 N 0.76 0.11 0.02 0.34 3.38 -0.76 0.16 115.31 119.32 3gjw h LEU 107 Ca 0.14 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.86 3gjw h LEU 107 Cb 0.51 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 41.27 3gjw h LEU 107 CO 0.03 0.07 -1.02 0.25 0.09 0.00 0.00 178.44 177.85 3gjw h LEU 108 N 0.12 0.87 -1.10 1.67 6.46 -0.41 -2.17 115.31 120.75 3gjw h LEU 108 Ca 0.21 -0.75 -0.07 0.00 -0.12 0.00 0.00 57.88 57.14 3gjw h LEU 108 Cb 0.66 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.31 3gjw h LEU 108 CO -0.02 1.51 -0.17 0.44 -0.62 0.00 0.00 178.44 179.58 3gjw h ASP 109 N 0.32 0.42 -0.49 1.25 3.32 -0.41 0.13 116.42 120.96 3gjw h ASP 109 Ca -0.13 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 56.71 3gjw h ASP 109 Cb 1.68 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 41.10 3gjw h ASP 109 CO 0.20 0.61 -0.05 0.40 -1.72 0.00 0.00 179.24 178.68 3gjw h ILE 110 N 0.40 1.27 -0.70 0.35 2.04 -0.74 0.87 117.51 120.99 3gjw h ILE 110 Ca 0.07 -1.16 -0.05 0.00 1.00 0.00 0.00 64.86 64.72 3gjw h ILE 110 Cb 0.53 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 3gjw h ILE 110 CO 0.03 0.40 0.25 -0.08 0.00 0.00 0.00 178.15 178.75 3gjw h GLU 111 N 0.77 1.07 -0.30 2.37 4.22 -0.82 0.36 114.58 122.24 3gjw h GLU 111 Ca 0.13 -0.21 -0.04 0.00 0.08 0.00 0.00 59.36 59.32 3gjw h GLU 111 Cb 0.59 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3gjw h GLU 111 CO 0.04 0.90 0.05 0.28 -2.18 0.00 0.00 179.01 178.10 3gjw h VAL 112 N 1.01 1.23 0.29 0.32 2.07 -0.88 -1.37 116.25 118.93 3gjw h VAL 112 Ca 0.23 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 3gjw h VAL 112 Cb 0.26 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3gjw h VAL 112 CO -0.01 0.27 -0.17 0.00 0.02 0.00 0.00 177.57 177.67 3gjw h ALA 113 N 0.88 -0.43 -0.09 1.67 0.00 -0.23 -2.18 119.26 118.88 3gjw h ALA 113 Ca 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3gjw h ALA 113 Cb 0.35 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3gjw h ALA 113 CO 0.01 -0.75 -0.01 -0.92 0.00 0.00 0.00 179.25 177.57 3gjw h TYR 114 N -0.44 0.13 -0.48 0.00 3.20 -0.29 -1.47 116.97 117.63 3gjw h TYR 114 Ca -0.03 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.74 3gjw h TYR 114 Cb 0.36 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 3gjw h TYR 114 CO -0.08 0.16 -0.08 1.03 -1.64 0.00 0.00 178.16 177.55 3gjw h SER 115 N 0.13 0.89 0.17 -2.11 0.87 -0.92 -0.29 113.55 112.29 3gjw h SER 115 Ca 0.03 -0.34 -0.01 0.00 -1.23 0.00 0.00 61.79 60.24 3gjw h SER 115 Cb 0.12 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 3gjw h SER 115 CO 0.00 1.02 -0.08 -0.07 -0.53 0.00 0.00 176.83 177.18 3gjw h LEU 116 N 0.74 -0.19 0.55 2.23 3.38 -0.78 -2.85 115.31 118.39 3gjw h LEU 116 Ca 0.13 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3gjw h LEU 116 Cb 0.61 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3gjw h LEU 116 CO 0.04 0.02 -0.35 0.25 0.09 0.00 0.00 178.44 178.49 3gjw h LEU 117 N -0.40 -0.87 0.00 1.67 5.85 -1.21 -2.54 115.31 117.80 3gjw h LEU 117 Ca -0.02 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3gjw h LEU 117 Cb 0.31 0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.60 3gjw h LEU 117 CO 0.04 -0.54 0.00 0.54 -0.34 0.00 0.00 178.44 178.14 3gjw n ARG 118 N -5.48 0.53 -4.38 1.25 5.12 -0.13 -4.76 116.66 108.81 3gjw n ARG 118 Ca -0.12 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 55.59 3gjw n ARG 118 Cb 0.37 -1.06 -0.10 0.00 -1.16 0.00 0.00 32.46 30.51 3gjw n ARG 118 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3gjw s GLY 119 N -1.53 1.56 0.00 -0.13 0.00 -0.96 -5.04 107.32 101.22 3gjw s GLY 119 Ca 0.03 -1.67 0.00 0.00 0.00 0.00 0.00 44.72 43.08 3gjw s GLY 119 CO 0.03 -1.75 0.00 0.61 0.00 0.00 0.00 173.10 171.99 3gjw n GLY 120 N -0.22 0.24 3.90 0.20 0.00 -1.26 -4.92 105.19 103.14 3gjw n GLY 120 Ca -0.09 -2.00 -0.32 0.00 0.00 0.00 0.00 46.02 43.61 3gjw n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gjw s SER 121 N -4.00 6.46 0.00 1.61 0.01 -1.26 -5.02 113.70 111.50 3gjw s SER 121 Ca 0.00 0.51 0.18 0.00 1.31 0.00 0.00 55.95 57.95 3gjw s SER 121 Cb 0.00 -2.06 0.32 0.00 0.21 0.00 0.00 66.02 64.49 3gjw s SER 121 CO 0.00 0.10 1.25 0.47 0.41 0.00 0.00 173.24 175.47 3gjw n ASP 122 N 0.24 3.01 -4.02 2.44 10.43 -1.26 -5.02 116.55 122.38 3gjw n ASP 122 Ca -0.04 -1.88 -0.28 0.00 2.57 0.00 0.00 54.79 55.16 3gjw n ASP 122 Cb 0.52 -0.18 0.16 0.00 1.84 0.00 0.00 41.12 43.46 3gjw n ASP 122 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 3gjw n ASP 123 N 1.10 -2.66 0.00 -2.24 5.75 -1.26 -4.96 116.55 112.28 3gjw n ASP 123 Ca 0.15 -0.24 0.00 0.00 -0.01 0.00 0.00 54.79 54.69 3gjw n ASP 123 Cb 0.50 -0.88 0.00 0.00 -1.03 0.00 0.00 41.12 39.71 3gjw n ASP 123 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3gjw n SER 124 N -1.49 1.38 0.20 -1.12 7.64 -1.26 -4.80 113.62 114.17 3gjw n SER 124 Ca 0.02 -1.64 -0.13 0.00 1.01 0.00 0.00 58.87 58.13 3gjw n SER 124 Cb 0.55 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.67 3gjw n SER 124 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 3gjw h SER 125 N 0.00 -0.44 -3.61 6.43 0.87 -2.02 -3.44 113.55 111.34 3gjw h SER 125 Ca 0.00 -0.13 -0.51 0.00 -1.23 0.00 0.00 61.79 59.92 3gjw h SER 125 Cb 0.55 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.60 3gjw h SER 125 CO 0.00 -0.07 0.06 -0.54 -0.53 0.00 0.00 176.83 175.75 3gjw s LYS 126 N -4.64 4.04 0.07 2.24 1.02 -1.26 -4.96 119.74 116.25 3gjw s LYS 126 Ca -0.14 0.66 -0.30 0.00 0.02 0.00 0.00 55.97 56.21 3gjw s LYS 126 Cb 0.02 -2.63 -0.05 0.00 -0.52 0.00 0.00 37.83 34.65 3gjw s LYS 126 CO 0.51 0.27 1.08 0.16 -0.92 0.00 0.00 175.35 176.45 3gjw s ASP 127 N -2.06 7.27 0.10 2.83 1.47 -1.26 -4.87 116.67 120.14 3gjw s ASP 127 Ca 0.49 1.88 -0.15 0.00 1.18 0.00 0.00 52.55 55.95 3gjw s ASP 127 Cb -0.13 -2.58 0.01 0.00 -0.34 0.00 0.00 42.92 39.89 3gjw s ASP 127 CO 0.19 -0.30 0.84 -2.65 0.68 0.00 0.00 175.17 173.93 3gjw n PRO 128 N 3.49 -0.21 -0.30 2.11 -0.02 -1.26 0.07 135.00 138.89 3gjw n PRO 128 Ca 0.06 0.83 0.13 0.00 -2.02 0.00 0.00 63.50 62.49 3gjw n PRO 128 Cb 0.48 -1.22 0.30 0.00 -0.02 0.00 0.00 33.50 33.04 3gjw n PRO 128 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3gjw h ILE 129 N 0.00 0.46 -0.20 4.25 1.08 -1.97 1.54 117.51 122.68 3gjw h ILE 129 Ca 0.12 -0.13 -0.13 0.00 -0.39 0.00 0.00 64.86 64.33 3gjw h ILE 129 Cb 0.25 0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.05 3gjw h ILE 129 CO -0.52 0.07 -0.41 0.44 -0.69 0.00 0.00 178.15 177.04 3gjw h ASP 130 N 0.37 0.50 0.33 1.72 3.45 -0.74 1.00 116.42 123.04 3gjw h ASP 130 Ca 0.55 -0.22 -0.02 0.00 0.43 0.00 0.00 57.03 57.77 3gjw h ASP 130 Cb 1.04 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.67 3gjw h ASP 130 CO -0.54 0.85 -0.16 0.58 -1.57 0.00 0.00 179.24 178.41 3gjw h VAL 131 N 0.39 0.61 -0.88 -1.35 2.07 0.60 -2.46 116.25 115.22 3gjw h VAL 131 Ca 0.03 -0.66 0.12 0.00 0.82 0.00 0.00 66.70 67.01 3gjw h VAL 131 Cb 0.88 0.91 -0.08 0.00 -1.52 0.00 0.00 31.29 31.48 3gjw h VAL 131 CO 0.07 0.11 0.50 0.78 0.02 0.00 0.00 177.57 179.06 3gjw h ASN 132 N -0.85 0.69 0.05 0.57 2.35 0.20 -1.54 115.58 117.06 3gjw h ASN 132 Ca -0.04 0.06 0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3gjw h ASN 132 Cb 0.52 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 3gjw h ASN 132 CO 0.07 0.36 -0.11 0.22 -1.65 0.00 0.00 177.43 176.31 3gjw h TYR 133 N 0.79 -0.29 -0.25 1.19 3.20 -0.81 -2.00 116.97 118.79 3gjw h TYR 133 Ca 0.45 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.40 3gjw h TYR 133 Cb 0.50 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 3gjw h TYR 133 CO -0.05 -0.18 0.24 0.93 -1.64 0.00 0.00 178.16 177.46 3gjw h GLU 134 N -0.22 0.00 0.00 1.82 5.08 -0.79 -0.26 114.58 120.21 3gjw h GLU 134 Ca 0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3gjw h GLU 134 Cb 0.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 3gjw h GLU 134 CO -0.08 0.00 -0.09 0.87 -1.00 0.00 0.00 179.01 178.72 3gjw h LYS 135 N 0.00 0.00 0.00 2.33 1.57 -0.93 -3.18 116.57 116.36 3gjw h LYS 135 Ca 0.12 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 3gjw h LYS 135 Cb 0.61 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 3gjw h LYS 135 CO -0.00 0.09 -0.33 -0.07 -0.57 0.00 0.00 179.45 178.57 3gjw h LEU 136 N 0.00 0.00 2.57 2.94 3.38 -1.03 -3.45 115.31 119.72 3gjw h LEU 136 Ca -0.00 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.58 3gjw h LEU 136 Cb 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3gjw h LEU 136 CO 0.01 0.33 -0.51 0.29 0.09 0.00 0.00 178.44 178.65 3gjw n LYS 137 N -3.25 -1.86 -4.30 1.13 4.76 -1.20 -3.34 118.16 110.09 3gjw n LYS 137 Ca 0.02 0.93 -0.20 0.00 -2.87 0.00 0.00 58.31 56.19 3gjw n LYS 137 Cb 0.61 -5.53 -0.16 0.00 -1.84 0.00 0.00 35.03 28.11 3gjw n LYS 137 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3gjw s THR 138 N -2.99 0.68 -0.16 -0.18 2.01 -1.26 0.15 115.64 113.89 3gjw s THR 138 Ca 0.03 -0.27 -0.26 0.00 0.31 0.00 0.00 61.69 61.50 3gjw s THR 138 Cb -0.01 -0.64 -0.01 0.00 0.01 0.00 0.00 72.50 71.84 3gjw s THR 138 CO 0.04 0.23 0.87 -0.62 -0.69 0.00 0.00 174.62 174.45 3gjw s ASP 139 N 0.46 7.00 -0.12 3.53 2.15 0.32 -4.92 116.67 125.10 3gjw s ASP 139 Ca -0.07 1.23 0.02 0.00 0.43 0.00 0.00 52.55 54.17 3gjw s ASP 139 Cb -0.11 -2.47 0.01 0.00 -0.30 0.00 0.00 42.92 40.05 3gjw s ASP 139 CO 0.01 -0.42 -0.18 -0.63 -0.17 0.00 0.00 175.17 173.78 3gjw s ILE 140 N 2.17 1.72 0.14 4.11 1.01 -1.26 -2.21 121.20 126.88 3gjw s ILE 140 Ca 0.40 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 60.33 3gjw s ILE 140 Cb -0.17 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 3gjw s ILE 140 CO 0.13 0.48 -0.13 -0.54 0.00 0.00 0.00 174.94 174.88 3gjw s LYS 141 N 0.86 1.08 0.11 2.79 1.02 -1.05 -5.00 119.74 119.56 3gjw s LYS 141 Ca -0.08 -1.36 -0.22 0.00 0.02 0.00 0.00 55.97 54.33 3gjw s LYS 141 Cb -0.15 -0.84 -0.07 0.00 -0.52 0.00 0.00 37.83 36.24 3gjw s LYS 141 CO -0.01 0.14 0.66 0.08 -0.92 0.00 0.00 175.35 175.30 3gjw s VAL 142 N -2.65 4.58 -0.38 3.17 1.01 -1.26 -1.57 120.40 123.30 3gjw s VAL 142 Ca 0.13 1.42 -0.15 0.00 0.00 0.00 0.00 61.98 63.39 3gjw s VAL 142 Cb -0.02 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.36 3gjw s VAL 142 CO 0.03 0.54 0.33 -0.69 0.00 0.00 0.00 175.10 175.31 3gjw s VAL 143 N -1.13 5.20 0.36 2.92 1.01 -0.31 -4.83 120.40 123.62 3gjw s VAL 143 Ca 0.32 -0.27 -0.25 0.00 0.00 0.00 0.00 61.98 61.78 3gjw s VAL 143 Cb -0.21 -3.87 -0.13 0.00 0.00 0.00 0.00 36.38 32.17 3gjw s VAL 143 CO 0.22 -0.20 0.70 0.47 0.00 0.00 0.00 175.10 176.30 3gjw n ASP 144 N 5.31 -0.18 -0.15 3.32 10.43 -1.26 -4.60 116.55 129.42 3gjw n ASP 144 Ca -0.10 1.01 -0.08 0.00 2.57 0.00 0.00 54.79 58.19 3gjw n ASP 144 Cb 0.48 -1.16 0.00 0.00 1.84 0.00 0.00 41.12 42.29 3gjw n ASP 144 CO 0.00 0.00 0.00 -0.09 -1.07 0.00 0.00 177.20 176.04 3gjw h ARG 145 N 1.19 0.64 -1.15 -1.24 2.43 -1.98 -2.96 114.38 111.31 3gjw h ARG 145 Ca -0.39 -0.10 -0.24 0.00 -0.81 0.00 0.00 59.98 58.44 3gjw h ARG 145 Cb 1.38 -0.11 -0.13 0.00 -0.42 0.00 0.00 29.97 30.69 3gjw h ARG 145 CO 0.55 0.56 0.30 -0.25 -1.51 0.00 0.00 179.97 179.62 3gjw n ASP 146 N -4.65 4.11 -4.87 -3.80 9.92 -1.26 -4.52 116.55 111.49 3gjw n ASP 146 Ca 0.01 -2.76 -0.33 0.00 -0.53 0.00 0.00 54.79 51.18 3gjw n ASP 146 Cb 0.12 -0.75 -0.05 0.00 -0.64 0.00 0.00 41.12 39.79 3gjw n ASP 146 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3gjw s SER 147 N 0.13 6.15 0.33 -2.24 1.04 -1.12 -4.99 113.70 113.00 3gjw s SER 147 Ca 0.25 0.28 0.04 0.00 0.48 0.00 0.00 55.95 56.99 3gjw s SER 147 Cb 0.21 -1.88 0.65 0.00 0.10 0.00 0.00 66.02 65.09 3gjw s SER 147 CO 0.03 0.26 1.90 -0.33 0.98 0.00 0.00 173.24 176.08 3gjw h GLU 148 N 3.84 0.86 0.47 4.02 3.07 -1.90 -0.95 114.58 123.99 3gjw h GLU 148 Ca -0.49 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.31 3gjw h GLU 148 Cb 1.18 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.89 3gjw h GLU 148 CO 0.67 0.57 -0.33 0.93 -1.40 0.00 0.00 179.01 179.45 3gjw h GLU 149 N 0.89 -0.76 -0.94 2.33 5.08 -1.94 -0.26 114.58 118.98 3gjw h GLU 149 Ca 0.40 0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.95 3gjw h GLU 149 Cb 0.37 0.17 -0.09 0.00 0.50 0.00 0.00 28.75 29.70 3gjw h GLU 149 CO -0.16 -0.51 0.56 0.00 -1.00 0.00 0.00 179.01 177.90 3gjw h ALA 150 N -0.36 1.45 -0.61 3.43 0.00 -1.59 -0.25 119.26 121.33 3gjw h ALA 150 Ca -0.05 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3gjw h ALA 150 Cb 0.66 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3gjw h ALA 150 CO 0.02 0.06 0.23 0.93 0.00 0.00 0.00 179.25 180.50 3gjw h GLU 151 N 0.82 0.92 0.53 0.00 5.08 -0.71 0.43 114.58 121.65 3gjw h GLU 151 Ca 0.50 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.67 3gjw h GLU 151 Cb 0.62 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3gjw h GLU 151 CO -0.32 0.79 -0.40 0.82 -1.00 0.00 0.00 179.01 178.90 3gjw h ILE 152 N 0.85 0.19 -0.91 3.13 1.08 0.57 -1.30 117.51 121.12 3gjw h ILE 152 Ca 0.20 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.76 3gjw h ILE 152 Cb 0.22 0.19 -0.07 0.00 -3.07 0.00 0.00 36.82 34.10 3gjw h ILE 152 CO -0.01 0.00 0.59 0.40 -0.69 0.00 0.00 178.15 178.43 3gjw h ILE 153 N -0.91 1.00 -0.46 -0.67 2.04 -0.97 -0.54 117.51 116.99 3gjw h ILE 153 Ca -0.06 -0.33 -0.12 0.00 1.00 0.00 0.00 64.86 65.35 3gjw h ILE 153 Cb 0.77 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 3gjw h ILE 153 CO 0.01 0.17 -0.20 0.03 0.00 0.00 0.00 178.15 178.17 3gjw h ARG 154 N 0.95 0.94 -0.52 2.37 3.08 -0.68 -1.84 114.38 118.68 3gjw h ARG 154 Ca 0.42 -0.40 -0.08 0.00 0.07 0.00 0.00 59.98 59.99 3gjw h ARG 154 Cb 0.34 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 3gjw h ARG 154 CO -0.18 1.07 0.03 0.87 -1.07 0.00 0.00 179.97 180.69 3gjw h LYS 155 N 0.79 0.90 -0.54 0.04 1.57 -0.60 0.14 116.57 118.87 3gjw h LYS 155 Ca 0.11 -0.27 0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3gjw h LYS 155 Cb 0.77 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 3gjw h LYS 155 CO 0.06 0.91 0.35 -0.92 -0.57 0.00 0.00 179.45 179.28 3gjw h TYR 156 N 0.78 0.66 -0.35 -1.35 3.20 -1.02 0.33 116.97 119.21 3gjw h TYR 156 Ca 0.15 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.95 3gjw h TYR 156 Cb 0.48 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3gjw h TYR 156 CO 0.04 0.40 -0.13 0.28 -1.64 0.00 0.00 178.16 177.11 3gjw h VAL 157 N 0.71 1.28 -0.07 1.81 2.07 -1.05 -2.37 116.25 118.63 3gjw h VAL 157 Ca 0.20 -1.22 -0.18 0.00 0.82 0.00 0.00 66.70 66.32 3gjw h VAL 157 Cb -0.05 1.35 0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3gjw h VAL 157 CO -0.06 0.40 -0.65 0.50 0.02 0.00 0.00 177.57 177.78 3gjw h LYS 158 N 0.49 0.56 -0.11 1.57 3.64 -0.81 -3.20 116.57 118.70 3gjw h LYS 158 Ca 0.08 -0.51 -0.01 0.00 -1.27 0.00 0.00 60.65 58.94 3gjw h LYS 158 Cb 0.65 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 3gjw h LYS 158 CO 0.04 1.14 0.02 -0.91 -2.27 0.00 0.00 179.45 177.47 3gjw h ASN 159 N 0.16 0.18 0.00 4.20 -0.26 -0.40 -2.94 115.58 116.51 3gjw h ASN 159 Ca -0.06 -0.26 0.00 0.00 -0.56 0.00 0.00 56.30 55.42 3gjw h ASN 159 Cb 1.32 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 38.53 3gjw h ASN 159 CO 0.13 0.39 0.00 0.35 -1.06 0.00 0.00 177.43 177.24 3gjw n THR 160 N -4.84 0.00 -3.97 2.81 -2.24 -0.89 -3.63 114.28 101.52 3gjw n THR 160 Ca -0.06 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.42 3gjw n THR 160 Cb 0.17 -0.15 -0.16 0.00 -2.10 0.00 0.00 70.33 68.09 3gjw n THR 160 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3gjw s HIS 161 N -1.71 2.23 0.00 4.78 5.65 -1.11 -3.26 115.29 121.86 3gjw s HIS 161 Ca 0.00 -1.45 0.00 0.00 0.25 0.00 0.00 55.06 53.86 3gjw s HIS 161 Cb 0.00 -1.56 0.00 0.00 -1.18 0.00 0.00 32.58 29.84 3gjw s HIS 161 CO 0.00 -0.71 0.00 0.00 -0.65 0.00 0.00 174.74 173.38 3gjw n ALA 162 N 4.74 0.00 -0.51 1.58 0.00 -1.26 -4.88 120.51 120.18 3gjw n ALA 162 Ca -0.14 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.38 3gjw n ALA 162 Cb 0.47 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.17 3gjw n ALA 162 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3gjw n THR 163 N 0.00 1.54 0.79 0.00 -2.24 -1.26 -3.61 114.28 109.49 3gjw n THR 163 Ca 0.00 -1.26 0.09 0.00 -2.27 0.00 0.00 64.05 60.61 3gjw n THR 163 Cb 0.00 0.22 0.03 0.00 -2.10 0.00 0.00 70.33 68.48 3gjw n THR 163 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3gjw n THR 164 N 0.55 0.00 -1.75 4.28 -1.04 -1.26 -4.02 114.28 111.04 3gjw n THR 164 Ca 0.19 -0.39 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 3gjw n THR 164 Cb 0.68 1.29 0.00 0.00 -1.82 0.00 0.00 70.33 70.48 3gjw n THR 164 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3gjw n HIS 165 N 0.39 0.00 -1.63 -1.42 8.25 -1.26 -4.98 115.22 114.58 3gjw n HIS 165 Ca 0.09 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.14 3gjw n HIS 165 Cb 0.42 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.51 3gjw n HIS 165 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3gjw n ASN 166 N 0.00 5.60 -1.13 0.41 4.05 -1.24 -4.33 115.26 118.63 3gjw n ASN 166 Ca 0.00 -2.77 0.08 0.00 0.45 0.00 0.00 54.58 52.34 3gjw n ASN 166 Cb 0.63 -1.61 0.26 0.00 1.23 0.00 0.00 39.78 40.28 3gjw n ASN 166 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3gjw n ALA 167 N 5.08 2.61 -3.57 5.20 0.00 -1.26 -4.85 120.51 123.71 3gjw n ALA 167 Ca 0.60 -1.06 -0.06 0.00 0.00 0.00 0.00 53.44 52.92 3gjw n ALA 167 Cb 0.33 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 3gjw n ALA 167 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3gjw s TYR 168 N -1.43 -0.19 0.17 0.00 -0.85 -1.26 -1.32 117.35 112.47 3gjw s TYR 168 Ca 0.38 0.13 0.10 0.00 -0.52 0.00 0.00 57.07 57.16 3gjw s TYR 168 Cb 0.22 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 43.03 3gjw s TYR 168 CO 0.23 -0.30 -0.18 -0.51 -1.52 0.00 0.00 175.55 173.27 3gjw s ASP 169 N -2.22 3.77 -0.16 -0.18 1.01 -0.11 -4.92 116.67 113.85 3gjw s ASP 169 Ca 0.08 -0.71 -0.01 0.00 0.71 0.00 0.00 52.55 52.62 3gjw s ASP 169 Cb -0.01 -0.45 -0.01 0.00 1.01 0.00 0.00 42.92 43.46 3gjw s ASP 169 CO -0.06 0.13 -0.11 -0.76 0.21 0.00 0.00 175.17 174.58 3gjw s LEU 170 N -2.59 2.73 -0.11 1.23 1.02 -1.26 -0.93 118.68 118.78 3gjw s LEU 170 Ca 0.21 -0.37 0.01 0.00 0.02 0.00 0.00 54.13 54.01 3gjw s LEU 170 Cb -0.09 -1.64 0.02 0.00 0.02 0.00 0.00 46.19 44.50 3gjw s LEU 170 CO 0.11 0.10 -0.14 -0.70 0.02 0.00 0.00 176.35 175.74 3gjw s GLU 171 N 0.76 2.13 -0.37 1.70 2.12 -0.65 -4.97 118.70 119.42 3gjw s GLU 171 Ca -0.04 -0.52 -0.28 0.00 0.36 0.00 0.00 54.97 54.48 3gjw s GLU 171 Cb -0.15 -1.85 0.02 0.00 0.26 0.00 0.00 34.13 32.41 3gjw s GLU 171 CO 0.01 -0.10 1.04 0.08 -0.54 0.00 0.00 175.26 175.76 3gjw s VAL 172 N 1.09 4.47 -0.11 3.70 1.01 -1.26 -0.91 120.40 128.38 3gjw s VAL 172 Ca -0.05 1.45 -0.12 0.00 0.00 0.00 0.00 61.98 63.26 3gjw s VAL 172 Cb -0.14 -4.43 -0.27 0.00 0.00 0.00 0.00 36.38 31.54 3gjw s VAL 172 CO -0.03 -0.61 0.46 0.40 0.00 0.00 0.00 175.10 175.32 3gjw h ILE 173 N 5.87 0.84 -2.98 2.22 2.04 -1.73 -3.49 117.51 120.27 3gjw h ILE 173 Ca -0.22 -2.37 -0.14 0.00 1.00 0.00 0.00 64.86 63.13 3gjw h ILE 173 Cb 1.07 2.58 -0.24 0.00 -0.74 0.00 0.00 36.82 39.49 3gjw h ILE 173 CO 1.04 0.77 -0.33 -1.81 0.00 0.00 0.00 178.15 177.81 3gjw s ASP 174 N -7.07 -0.30 -0.09 1.72 -0.00 -1.17 -5.03 116.67 104.73 3gjw s ASP 174 Ca -0.21 0.51 0.04 0.00 -0.00 0.00 0.00 52.55 52.88 3gjw s ASP 174 Cb 0.06 0.57 0.00 0.00 -0.00 0.00 0.00 42.92 43.55 3gjw s ASP 174 CO 0.76 -0.19 -0.22 -0.51 -0.00 0.00 0.00 175.17 175.01 3gjw s ILE 175 N -0.20 1.91 -0.04 0.77 1.10 -1.26 -0.75 121.20 122.73 3gjw s ILE 175 Ca -0.03 -0.94 0.06 0.00 -0.51 0.00 0.00 60.65 59.23 3gjw s ILE 175 Cb -0.03 -1.66 -0.01 0.00 0.15 0.00 0.00 42.46 40.90 3gjw s ILE 175 CO 0.01 0.53 -0.23 -0.36 -2.11 0.00 0.00 174.94 172.78 3gjw s PHE 176 N 0.37 2.19 -0.16 3.50 0.08 0.88 -1.16 117.98 123.68 3gjw s PHE 176 Ca -0.18 -0.53 -0.20 0.00 0.12 0.00 0.00 56.93 56.13 3gjw s PHE 176 Cb -0.17 -1.42 -0.03 0.00 -0.57 0.00 0.00 43.02 40.82 3gjw s PHE 176 CO 0.08 -0.12 0.60 0.21 -0.10 0.00 0.00 175.22 175.89 3gjw s LYS 177 N -0.33 4.28 0.00 0.44 2.47 -0.61 -0.27 119.74 125.72 3gjw s LYS 177 Ca 0.03 0.61 0.08 0.00 -1.56 0.00 0.00 55.97 55.13 3gjw s LYS 177 Cb -0.11 -3.52 -0.02 0.00 -1.46 0.00 0.00 37.83 32.71 3gjw s LYS 177 CO 0.01 -0.09 -0.26 0.96 0.16 0.00 0.00 175.35 176.13 3gjw s ILE 178 N 1.42 2.03 -0.29 5.43 -4.36 0.48 -2.53 121.20 123.38 3gjw s ILE 178 Ca 0.29 -1.18 -0.02 0.00 -0.26 0.00 0.00 60.65 59.48 3gjw s ILE 178 Cb -0.16 -1.70 0.12 0.00 1.25 0.00 0.00 42.46 41.97 3gjw s ILE 178 CO 0.12 0.49 0.21 -1.61 0.24 0.00 0.00 174.94 174.39 3gjw s GLU 179 N -0.80 0.26 0.42 0.37 2.02 -0.94 -4.21 118.70 115.82 3gjw s GLU 179 Ca 0.10 -0.38 -0.25 0.00 0.02 0.00 0.00 54.97 54.47 3gjw s GLU 179 Cb -0.10 -0.93 -0.08 0.00 0.10 0.00 0.00 34.13 33.12 3gjw s GLU 179 CO 0.00 -1.03 1.19 1.03 0.02 0.00 0.00 175.26 176.47 3gjw s ARG 180 N 2.19 3.92 -0.04 1.61 0.52 -1.26 -0.52 118.95 125.37 3gjw s ARG 180 Ca 0.09 1.88 -0.31 0.00 -0.52 0.00 0.00 55.73 56.87 3gjw s ARG 180 Cb -0.15 -2.59 -0.09 0.00 0.52 0.00 0.00 34.95 32.63 3gjw s ARG 180 CO -0.34 -0.44 2.01 -1.91 0.02 0.00 0.00 175.30 174.63 3gjw n GLU 181 N -0.12 2.53 0.00 3.54 2.13 0.39 -2.06 120.64 127.05 3gjw n GLU 181 Ca 0.05 0.89 0.00 0.00 0.66 0.00 0.00 57.16 58.77 3gjw n GLU 181 Cb 0.46 -2.96 0.00 0.00 0.27 0.00 0.00 31.44 29.21 3gjw n GLU 181 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gjw n GLY 182 N 4.79 2.75 3.35 8.31 0.00 -1.26 -4.93 105.19 118.19 3gjw n GLY 182 Ca 0.23 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 3gjw n GLY 182 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3gjw n GLU 183 N 0.00 0.03 0.14 1.61 2.13 -0.87 -2.50 120.64 121.18 3gjw n GLU 183 Ca 0.00 -0.87 0.00 0.00 0.66 0.00 0.00 57.16 56.95 3gjw n GLU 183 Cb 0.00 -2.36 0.00 0.00 0.27 0.00 0.00 31.44 29.35 3gjw n GLU 183 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3gjw n GLN 185 N -3.17 0.09 0.05 0.00 1.13 -1.04 -0.21 117.38 114.23 3gjw n GLN 185 Ca 0.00 0.17 -0.22 0.00 -1.94 0.00 0.00 57.00 55.01 3gjw n GLN 185 Cb 0.00 -1.63 -0.15 0.00 0.11 0.00 0.00 30.24 28.57 3gjw n GLN 185 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 3gjw h ARG 186 N 0.00 0.35 0.09 -1.09 2.43 -1.90 -3.39 114.38 110.87 3gjw h ARG 186 Ca 0.00 -0.60 -0.29 0.00 -0.81 0.00 0.00 59.98 58.29 3gjw h ARG 186 Cb 0.48 0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 3gjw h ARG 186 CO 0.00 1.29 -1.44 -0.92 -1.51 0.00 0.00 179.97 177.39 3gjw h TYR 187 N 0.09 0.34 -0.74 2.20 3.20 -1.66 -3.38 116.97 117.02 3gjw h TYR 187 Ca -0.37 -0.25 0.16 0.00 3.14 0.00 0.00 58.73 61.40 3gjw h TYR 187 Cb 2.07 -0.01 -0.14 0.00 1.54 0.00 0.00 36.73 40.19 3gjw h TYR 187 CO 0.09 1.27 -0.12 -0.22 -1.64 0.00 0.00 178.16 177.55 3gjw h LYS 188 N 0.05 0.03 -0.73 1.82 3.64 -0.78 0.31 116.57 120.92 3gjw h LYS 188 Ca -0.20 -0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.28 3gjw h LYS 188 Cb 1.97 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 33.74 3gjw h LYS 188 CO 0.15 0.02 0.48 -1.35 -2.27 0.00 0.00 179.45 176.48 3gjw h PRO 189 N 0.03 0.60 0.00 1.90 0.11 -1.77 0.89 132.00 133.76 3gjw h PRO 189 Ca 0.37 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.45 3gjw h PRO 189 Cb 0.60 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.58 3gjw h PRO 189 CO -0.72 0.40 0.00 1.19 -0.21 0.00 0.00 178.00 178.66 3gjw n PHE 190 N -4.49 0.49 0.33 0.65 3.72 0.88 -2.70 117.46 116.34 3gjw n PHE 190 Ca 0.12 0.15 0.13 0.00 -0.05 0.00 0.00 57.45 57.80 3gjw n PHE 190 Cb 0.34 -0.74 0.58 0.00 -0.94 0.00 0.00 39.48 38.71 3gjw n PHE 190 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3gjw h LYS 191 N 0.00 0.00 -1.07 -1.08 3.64 0.30 -0.01 116.57 118.36 3gjw h LYS 191 Ca 0.00 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.02 3gjw h LYS 191 Cb 0.57 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.19 3gjw h LYS 191 CO 0.00 0.00 0.46 1.04 -2.27 0.00 0.00 179.45 178.68 3gjw n GLN 192 N -2.42 1.88 -3.91 1.90 6.02 -1.10 -4.76 117.38 114.99 3gjw n GLN 192 Ca 0.01 -2.02 -0.30 0.00 -0.01 0.00 0.00 57.00 54.68 3gjw n GLN 192 Cb 0.20 -1.79 -0.16 0.00 1.02 0.00 0.00 30.24 29.51 3gjw n GLN 192 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3gjw s LEU 193 N -2.25 2.35 1.12 1.08 2.96 -0.02 -5.13 118.68 118.79 3gjw s LEU 193 Ca 0.39 -1.12 -0.16 0.00 -0.22 0.00 0.00 54.13 53.02 3gjw s LEU 193 Cb 0.32 -1.09 0.22 0.00 0.50 0.00 0.00 46.19 46.14 3gjw s LEU 193 CO 0.06 -0.25 0.44 0.00 -1.32 0.00 0.00 176.35 175.28 3gjw n HIS 194 N 4.73 -2.58 -3.43 5.38 1.44 -1.26 -4.18 115.22 115.32 3gjw n HIS 194 Ca -0.12 -0.18 -0.19 0.00 -2.01 0.00 0.00 57.72 55.23 3gjw n HIS 194 Cb 0.44 -1.39 0.08 0.00 0.12 0.00 0.00 29.99 29.24 3gjw n HIS 194 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 3gjw n ASN 195 N -2.33 -4.06 -4.69 4.39 5.15 -1.26 -2.72 115.26 109.74 3gjw n ASN 195 Ca 0.07 -0.54 -0.40 0.00 -0.60 0.00 0.00 54.58 53.10 3gjw n ASN 195 Cb 0.42 -4.80 -0.05 0.00 -0.53 0.00 0.00 39.78 34.82 3gjw n ASN 195 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3gjw s ARG 196 N -5.75 4.32 0.06 1.20 0.52 -1.26 -2.35 118.95 115.69 3gjw s ARG 196 Ca 0.27 0.80 0.05 0.00 -0.52 0.00 0.00 55.73 56.33 3gjw s ARG 196 Cb -0.12 -3.52 -0.03 0.00 0.52 0.00 0.00 34.95 31.80 3gjw s ARG 196 CO 0.68 -0.13 -0.15 1.03 0.02 0.00 0.00 175.30 176.75 3gjw s ARG 197 N 1.51 0.90 -0.32 3.54 0.52 -0.58 -0.43 118.95 124.08 3gjw s ARG 197 Ca 0.34 -0.91 -0.19 0.00 -0.52 0.00 0.00 55.73 54.45 3gjw s ARG 197 Cb -0.17 -0.94 -0.01 0.00 0.52 0.00 0.00 34.95 34.36 3gjw s ARG 197 CO 0.14 0.22 0.56 -1.17 0.02 0.00 0.00 175.30 175.06 3gjw s LEU 198 N -1.55 4.22 0.17 2.53 2.96 0.10 -0.79 118.68 126.33 3gjw s LEU 198 Ca 0.00 0.21 0.05 0.00 -0.22 0.00 0.00 54.13 54.17 3gjw s LEU 198 Cb -0.09 -2.69 -0.05 0.00 0.50 0.00 0.00 46.19 43.87 3gjw s LEU 198 CO 0.02 -0.46 -0.09 -0.76 -1.32 0.00 0.00 176.35 173.74 3gjw s LEU 199 N 2.49 2.47 0.36 -0.68 1.43 -0.20 -4.64 118.68 119.91 3gjw s LEU 199 Ca 0.22 -1.05 -0.13 0.00 -1.03 0.00 0.00 54.13 52.13 3gjw s LEU 199 Cb -0.15 -0.36 -0.08 0.00 0.03 0.00 0.00 46.19 45.63 3gjw s LEU 199 CO 0.13 -0.35 0.75 0.26 0.23 0.00 0.00 176.35 177.37 3gjw s TRP 200 N -3.31 3.42 -0.27 0.29 0.52 0.37 -0.97 118.94 119.00 3gjw s TRP 200 Ca 0.20 1.14 -0.00 0.00 0.02 0.00 0.00 56.10 57.45 3gjw s TRP 200 Cb 0.03 -2.49 0.14 0.00 -1.15 0.00 0.00 33.47 30.00 3gjw s TRP 200 CO 0.03 -0.01 0.35 -1.58 0.02 0.00 0.00 176.95 175.76 3gjw s HIS 201 N -2.17 -0.72 0.25 -1.98 2.46 0.90 -2.04 115.29 111.99 3gjw s HIS 201 Ca 0.53 0.25 -0.05 0.00 0.47 0.00 0.00 55.06 56.26 3gjw s HIS 201 Cb -0.10 -0.24 -0.05 0.00 -0.13 0.00 0.00 32.58 32.05 3gjw s HIS 201 CO 0.24 -0.87 0.51 0.20 -2.47 0.00 0.00 174.74 172.35 3gjw s GLY 202 N 2.46 1.97 -0.03 1.59 0.00 -1.26 -0.38 107.32 111.67 3gjw s GLY 202 Ca 0.10 -0.54 -0.29 0.00 0.00 0.00 0.00 44.72 43.99 3gjw s GLY 202 CO -0.27 -0.43 0.90 -0.45 0.00 0.00 0.00 173.10 172.85 3gjw s SER 203 N -2.93 -0.38 0.60 1.64 0.15 -1.22 -4.79 113.70 106.76 3gjw s SER 203 Ca 0.44 0.10 -0.18 0.00 0.70 0.00 0.00 55.95 57.00 3gjw s SER 203 Cb -0.11 0.38 -0.03 0.00 -1.71 0.00 0.00 66.02 64.54 3gjw s SER 203 CO 0.28 -0.57 1.18 -0.13 1.20 0.00 0.00 173.24 175.20 3gjw s ARG 204 N -2.68 2.99 0.50 5.44 0.52 -0.90 -4.28 118.95 120.53 3gjw s ARG 204 Ca 0.03 1.74 0.20 0.00 -0.52 0.00 0.00 55.73 57.17 3gjw s ARG 204 Cb -0.01 -1.94 1.25 0.00 0.52 0.00 0.00 34.95 34.77 3gjw s ARG 204 CO -0.06 -1.17 2.02 0.00 0.02 0.00 0.00 175.30 176.10 3gjw h THR 205 N 0.80 0.84 0.00 0.02 1.03 -1.91 -1.76 112.91 111.94 3gjw h THR 205 Ca -0.50 -0.05 0.00 0.00 -0.01 0.00 0.00 66.41 65.85 3gjw h THR 205 Cb 1.29 0.69 0.00 0.00 -1.07 0.00 0.00 68.15 69.05 3gjw h THR 205 CO 0.55 0.03 0.00 0.35 -0.01 0.00 0.00 175.52 176.44 3gjw n THR 206 N -4.44 0.00 0.63 0.00 -2.24 -1.26 -3.08 114.28 103.89 3gjw n THR 206 Ca 0.07 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.93 3gjw n THR 206 Cb 0.43 -0.55 0.04 0.00 -2.10 0.00 0.00 70.33 68.15 3gjw n THR 206 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3gjw n ASN 207 N -0.98 2.04 0.09 3.42 3.02 -0.66 -4.21 115.26 117.98 3gjw n ASN 207 Ca 0.20 -1.52 -0.08 0.00 -0.03 0.00 0.00 54.58 53.15 3gjw n ASN 207 Cb 0.09 0.13 0.01 0.00 -0.61 0.00 0.00 39.78 39.40 3gjw n ASN 207 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 3gjw h PHE 208 N 2.56 0.25 -1.00 3.10 -1.00 -1.67 -2.15 116.94 117.04 3gjw h PHE 208 Ca 0.00 -0.13 0.09 0.00 2.81 0.00 0.00 57.97 60.74 3gjw h PHE 208 Cb 0.59 -0.03 -0.08 0.00 3.61 0.00 0.00 35.95 40.04 3gjw h PHE 208 CO 0.00 0.93 0.64 0.00 -1.61 0.00 0.00 178.31 178.27 3gjw h ALA 209 N 1.03 1.46 -0.00 2.45 0.00 -1.81 -0.48 119.26 121.90 3gjw h ALA 209 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3gjw h ALA 209 Cb 1.45 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3gjw h ALA 209 CO 0.13 0.33 -0.10 0.78 0.00 0.00 0.00 179.25 180.39 3gjw h GLY 210 N 1.08 0.08 1.01 0.00 0.00 -1.82 -2.69 103.07 100.73 3gjw h GLY 210 Ca 0.47 -0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.70 3gjw h GLY 210 CO -0.22 0.12 0.58 -2.22 0.00 0.00 0.00 176.54 174.79 3gjw h ILE 211 N -0.67 1.14 -0.04 2.60 2.04 -1.22 0.82 117.51 122.18 3gjw h ILE 211 Ca -0.01 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 3gjw h ILE 211 Cb 0.87 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3gjw h ILE 211 CO 0.02 0.20 -0.18 -0.07 0.00 0.00 0.00 178.15 178.12 3gjw h LEU 212 N 1.09 0.22 -0.01 1.44 3.38 -1.19 1.10 115.31 121.34 3gjw h LEU 212 Ca 0.35 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3gjw h LEU 212 Cb 0.03 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3gjw h LEU 212 CO -0.11 0.85 0.01 0.77 0.09 0.00 0.00 178.44 180.05 3gjw h SER 213 N -0.38 0.01 -0.01 -0.43 4.64 -1.25 -3.32 113.55 112.80 3gjw h SER 213 Ca -0.01 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3gjw h SER 213 Cb 0.84 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 3gjw h SER 213 CO 0.04 0.01 -0.24 0.00 -0.87 0.00 0.00 176.83 175.77 3gjw n GLN 214 N -5.08 1.81 -0.02 4.77 6.02 0.26 -4.89 117.38 120.25 3gjw n GLN 214 Ca -0.07 -0.75 0.00 0.00 -0.01 0.00 0.00 57.00 56.18 3gjw n GLN 214 Cb 0.03 -1.17 -0.00 0.00 1.02 0.00 0.00 30.24 30.12 3gjw n GLN 214 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gjw n GLY 215 N 0.98 -1.54 3.68 1.08 0.00 0.38 -4.77 105.19 104.99 3gjw n GLY 215 Ca 0.05 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 3gjw n GLY 215 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gjw s LEU 216 N -3.21 4.26 0.56 0.99 1.43 -1.25 -4.46 118.68 117.00 3gjw s LEU 216 Ca 0.00 1.87 0.09 0.00 -1.03 0.00 0.00 54.13 55.05 3gjw s LEU 216 Cb 0.00 -3.55 0.07 0.00 0.03 0.00 0.00 46.19 42.74 3gjw s LEU 216 CO 0.00 -0.69 0.68 -0.13 0.23 0.00 0.00 176.35 176.45 3gjw s ARG 217 N 2.75 2.30 0.03 1.70 0.52 -1.26 -4.89 118.95 120.10 3gjw s ARG 217 Ca 0.58 -1.74 0.07 0.00 -0.52 0.00 0.00 55.73 54.13 3gjw s ARG 217 Cb -0.26 -2.50 -0.03 0.00 0.52 0.00 0.00 34.95 32.68 3gjw s ARG 217 CO 0.21 -0.78 -0.20 0.42 0.02 0.00 0.00 175.30 174.96 3gjw s ILE 218 N -2.69 2.59 0.48 1.52 1.01 -1.26 -4.73 121.20 118.12 3gjw s ILE 218 Ca 0.54 -1.19 -0.24 0.00 0.00 0.00 0.00 60.65 59.76 3gjw s ILE 218 Cb -0.05 -2.05 -0.07 0.00 0.01 0.00 0.00 42.46 40.30 3gjw s ILE 218 CO 0.34 0.38 1.40 0.00 0.00 0.00 0.00 174.94 177.07 3gjw s ALA 219 N -0.85 3.10 0.73 9.38 0.00 -1.26 -4.99 121.76 127.87 3gjw s ALA 219 Ca 0.13 1.42 -0.11 0.00 0.00 0.00 0.00 51.96 53.40 3gjw s ALA 219 Cb -0.10 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.46 3gjw s ALA 219 CO 0.04 -1.25 1.07 -1.25 0.00 0.00 0.00 175.76 174.37 3gjw s PRO 220 N -2.60 2.64 0.36 0.00 0.04 -1.26 -4.95 135.00 129.22 3gjw s PRO 220 Ca 0.64 1.05 0.05 0.00 0.04 0.00 0.00 61.00 62.78 3gjw s PRO 220 Cb -0.43 -1.95 0.72 0.00 0.04 0.00 0.00 34.50 32.88 3gjw s PRO 220 CO 0.53 -1.34 1.97 -1.00 0.04 0.00 0.00 177.00 177.21 3gjw h PRO 221 N -0.89 0.76 0.00 0.56 0.13 -2.02 -2.20 132.00 128.34 3gjw h PRO 221 Ca -0.44 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 3gjw h PRO 221 Cb 1.22 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 3gjw h PRO 221 CO 0.54 0.50 -0.06 0.93 -0.23 0.00 0.00 178.00 179.69 3gjw h GLU 222 N 0.78 0.00 -7.07 0.86 3.07 -1.95 -3.44 114.58 106.82 3gjw h GLU 222 Ca 0.30 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.60 3gjw h GLU 222 Cb 0.18 0.00 0.15 0.00 -0.84 0.00 0.00 28.75 28.23 3gjw h GLU 222 CO -0.09 0.06 0.58 0.00 -1.40 0.00 0.00 179.01 178.16 3gjw s ALA 223 N -4.35 2.66 0.55 3.43 0.00 -0.83 -3.88 121.76 119.34 3gjw s ALA 223 Ca -0.04 1.32 -0.21 0.00 0.00 0.00 0.00 51.96 53.03 3gjw s ALA 223 Cb 0.14 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 3gjw s ALA 223 CO 0.55 -1.49 1.25 -2.14 0.00 0.00 0.00 175.76 173.93 3gjw s PRO 224 N -3.08 3.21 0.00 0.00 0.02 -1.26 -4.92 135.00 128.97 3gjw s PRO 224 Ca 0.76 1.95 0.25 0.00 0.02 0.00 0.00 61.00 63.98 3gjw s PRO 224 Cb -0.40 -2.15 0.59 0.00 0.02 0.00 0.00 34.50 32.56 3gjw s PRO 224 CO 0.46 -1.05 1.47 0.28 -0.33 0.00 0.00 177.00 177.82 3gjw n VAL 225 N -1.15 0.00 -2.52 3.83 0.31 -1.26 -4.91 118.33 112.63 3gjw n VAL 225 Ca 0.11 -0.04 -0.41 0.00 -0.01 0.00 0.00 64.34 63.99 3gjw n VAL 225 Cb 0.48 0.29 -0.04 0.00 -0.91 0.00 0.00 33.84 33.65 3gjw n VAL 225 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3gjw s THR 226 N -2.84 3.79 0.00 2.52 2.01 -1.26 -3.66 115.64 116.19 3gjw s THR 226 Ca 0.15 1.61 0.00 0.00 0.31 0.00 0.00 61.69 63.76 3gjw s THR 226 Cb 0.18 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.66 3gjw s THR 226 CO 0.64 0.31 0.00 0.61 -0.69 0.00 0.00 174.62 175.49 3gjw n GLY 227 N 1.82 2.62 3.71 4.40 0.00 -1.26 -4.75 105.19 111.72 3gjw n GLY 227 Ca 0.02 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 3gjw n GLY 227 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gjw s TYR 228 N -1.37 3.14 -0.04 1.61 1.51 -1.24 -4.94 117.35 116.02 3gjw s TYR 228 Ca 0.00 0.87 -0.24 0.00 -1.01 0.00 0.00 57.07 56.69 3gjw s TYR 228 Cb 0.00 -3.72 -0.19 0.00 -0.11 0.00 0.00 41.96 37.94 3gjw s TYR 228 CO 0.00 -2.57 1.10 0.52 -1.11 0.00 0.00 175.55 173.49 3gjw h MET 229 N 7.00 -0.12 -1.76 -0.62 2.86 -1.92 -3.38 114.93 116.99 3gjw h MET 229 Ca -0.42 0.01 -0.52 0.00 -2.06 0.00 0.00 59.70 56.71 3gjw h MET 229 Cb 1.20 0.03 -0.41 0.00 0.06 0.00 0.00 31.60 32.48 3gjw h MET 229 CO 0.88 0.37 -0.91 1.19 1.06 0.00 0.00 176.91 179.50 3gjw n PHE 230 N -4.89 2.39 -0.90 -0.22 3.72 -1.26 -1.44 117.46 114.85 3gjw n PHE 230 Ca -0.08 -3.48 0.12 0.00 -0.05 0.00 0.00 57.45 53.95 3gjw n PHE 230 Cb 0.27 -0.35 -0.04 0.00 -0.94 0.00 0.00 39.48 38.42 3gjw n PHE 230 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gjw n GLY 231 N -0.15 -2.37 3.61 1.37 0.00 -1.25 -4.46 105.19 101.94 3gjw n GLY 231 Ca 0.27 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 3gjw n GLY 231 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gjw s LYS 232 N -2.77 3.57 0.00 1.61 1.02 -1.26 -4.90 119.74 117.00 3gjw s LYS 232 Ca 0.00 1.57 0.00 0.00 0.02 0.00 0.00 55.97 57.56 3gjw s LYS 232 Cb 0.00 -4.12 0.00 0.00 -0.52 0.00 0.00 37.83 33.19 3gjw s LYS 232 CO 0.00 -1.58 0.00 0.41 -0.92 0.00 0.00 175.35 173.26 3gjw n GLY 233 N 5.07 2.36 3.45 -3.33 0.00 -1.26 -4.84 105.19 106.63 3gjw n GLY 233 Ca 0.21 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 3gjw n GLY 233 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gjw s ILE 234 N -2.83 4.32 -0.17 -0.61 1.01 -0.05 -4.75 121.20 118.12 3gjw s ILE 234 Ca 0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 60.65 60.35 3gjw s ILE 234 Cb 0.00 -3.03 -0.05 0.00 0.01 0.00 0.00 42.46 39.39 3gjw s ILE 234 CO 0.00 0.33 0.22 -0.31 0.00 0.00 0.00 174.94 175.18 3gjw s TYR 235 N 1.62 3.45 0.18 3.97 1.51 -1.26 -2.08 117.35 124.74 3gjw s TYR 235 Ca 0.06 0.48 0.08 0.00 -1.01 0.00 0.00 57.07 56.69 3gjw s TYR 235 Cb -0.15 -2.25 -0.04 0.00 -0.11 0.00 0.00 41.96 39.41 3gjw s TYR 235 CO 0.04 0.28 -0.16 -0.06 -1.11 0.00 0.00 175.55 174.54 3gjw s PHE 236 N 0.34 1.73 0.07 2.71 0.40 0.62 -4.82 117.98 119.04 3gjw s PHE 236 Ca 0.13 -0.53 0.06 0.00 -0.60 0.00 0.00 56.93 55.99 3gjw s PHE 236 Cb -0.12 -0.84 -0.03 0.00 0.51 0.00 0.00 43.02 42.54 3gjw s PHE 236 CO 0.01 0.33 -0.15 0.00 0.70 0.00 0.00 175.22 176.11 3gjw s ALA 237 N -2.52 1.30 -2.24 5.36 0.00 -0.87 -0.77 121.76 122.02 3gjw s ALA 237 Ca 0.19 -1.01 0.23 0.00 0.00 0.00 0.00 51.96 51.36 3gjw s ALA 237 Cb -0.03 -0.14 0.55 0.00 0.00 0.00 0.00 23.12 23.49 3gjw s ALA 237 CO 0.07 0.22 1.48 -0.40 0.00 0.00 0.00 175.76 177.12 3gjw n ASP 238 N 1.37 3.71 -3.79 0.00 5.75 -1.26 -0.47 116.55 121.85 3gjw n ASP 238 Ca -0.20 -2.00 -0.23 0.00 -0.01 0.00 0.00 54.79 52.35 3gjw n ASP 238 Cb 0.54 -0.37 -0.17 0.00 -1.03 0.00 0.00 41.12 40.08 3gjw n ASP 238 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 3gjw s MET 239 N -1.25 0.73 0.52 0.11 -1.94 -1.26 -4.82 119.30 111.38 3gjw s MET 239 Ca 0.44 0.06 0.28 0.00 -1.71 0.00 0.00 55.69 54.76 3gjw s MET 239 Cb 0.24 -1.05 1.39 0.00 2.01 0.00 0.00 34.83 37.43 3gjw s MET 239 CO 0.33 -0.30 1.91 -0.24 -0.01 0.00 0.00 175.02 176.71 3gjw h VAL 240 N 6.31 0.62 -0.71 -6.03 3.04 -1.85 -2.08 116.25 115.55 3gjw h VAL 240 Ca -0.21 -0.02 0.01 0.00 -1.01 0.00 0.00 66.70 65.46 3gjw h VAL 240 Cb 1.13 0.54 -0.04 0.00 -2.01 0.00 0.00 31.29 30.91 3gjw h VAL 240 CO 0.28 0.01 0.47 0.28 -1.01 0.00 0.00 177.57 177.60 3gjw h SER 241 N 0.07 0.82 -0.15 3.17 0.02 -1.90 0.18 113.55 115.76 3gjw h SER 241 Ca 0.39 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.31 3gjw h SER 241 Cb 1.45 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 3gjw h SER 241 CO -0.03 0.59 0.04 0.50 -1.14 0.00 0.00 176.83 176.79 3gjw h LYS 242 N 0.96 0.24 -0.55 3.45 1.63 -1.70 -3.26 116.57 117.35 3gjw h LYS 242 Ca 0.26 -0.06 -0.11 0.00 -0.85 0.00 0.00 60.65 59.89 3gjw h LYS 242 Cb -0.11 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.47 3gjw h LYS 242 CO -0.06 0.39 -0.09 0.77 -3.45 0.00 0.00 179.45 177.01 3gjw h SER 243 N 0.05 1.03 -0.25 4.20 0.02 -1.49 -3.07 113.55 114.05 3gjw h SER 243 Ca 0.05 -0.35 0.07 0.00 -0.84 0.00 0.00 61.79 60.72 3gjw h SER 243 Cb 0.26 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 3gjw h SER 243 CO 0.00 1.13 0.31 0.00 -1.14 0.00 0.00 176.83 177.14 3gjw h ALA 244 N 0.93 1.85 0.00 3.77 0.00 -0.68 -0.89 119.26 124.24 3gjw h ALA 244 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3gjw h ALA 244 Cb 0.66 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3gjw h ALA 244 CO 0.05 -0.44 0.00 0.09 0.00 0.00 0.00 179.25 178.94 3gjw n ASN 245 N -3.62 0.24 -0.98 0.00 3.02 -1.16 -2.58 115.26 110.18 3gjw n ASN 245 Ca 0.03 0.56 0.10 0.00 -0.03 0.00 0.00 54.58 55.25 3gjw n ASN 245 Cb 0.45 -0.61 0.18 0.00 -0.61 0.00 0.00 39.78 39.19 3gjw n ASN 245 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3gjw n TYR 246 N -1.77 0.44 0.35 3.10 4.01 -0.34 -4.16 117.16 118.79 3gjw n TYR 246 Ca 0.03 -0.27 0.12 0.00 -0.16 0.00 0.00 57.90 57.62 3gjw n TYR 246 Cb 0.17 -0.00 0.17 0.00 -0.31 0.00 0.00 39.34 39.36 3gjw n TYR 246 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3gjw n HIS 248 N -2.58 -1.65 -3.36 0.00 8.25 -1.26 -4.42 115.22 110.20 3gjw n HIS 248 Ca 0.03 0.28 -0.20 0.00 -0.26 0.00 0.00 57.72 57.57 3gjw n HIS 248 Cb 0.49 -3.01 -0.00 0.00 1.12 0.00 0.00 29.99 28.59 3gjw n HIS 248 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3gjw s THR 249 N -3.44 4.11 0.15 1.59 -4.23 -1.26 -5.00 115.64 107.56 3gjw s THR 249 Ca 0.43 -0.85 -0.02 0.00 -1.18 0.00 0.00 61.69 60.07 3gjw s THR 249 Cb -0.21 -3.45 0.01 0.00 1.34 0.00 0.00 72.50 70.19 3gjw s THR 249 CO 0.93 -0.21 0.24 -1.54 -0.54 0.00 0.00 174.62 173.49 3gjw n SER 250 N -1.76 -0.67 0.26 3.99 3.41 -0.41 -4.95 113.62 113.49 3gjw n SER 250 Ca -0.00 -1.77 0.13 0.00 -0.26 0.00 0.00 58.87 56.97 3gjw n SER 250 Cb 0.58 1.21 0.69 0.00 -0.26 0.00 0.00 64.21 66.43 3gjw n SER 250 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3gjw h GLN 251 N 0.00 0.00 0.19 4.33 5.75 -1.98 -0.22 115.11 123.19 3gjw h GLN 251 Ca -0.12 0.00 -0.34 0.00 -0.15 0.00 0.00 58.65 58.04 3gjw h GLN 251 Cb 0.51 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.07 3gjw h GLN 251 CO 0.16 0.12 -1.69 0.78 -2.65 0.00 0.00 178.83 175.56 3gjw h GLY 252 N 1.30 0.46 -6.69 2.39 0.00 -2.00 -3.41 103.07 95.11 3gjw h GLY 252 Ca -0.00 -1.17 -0.60 0.00 0.00 0.00 0.00 47.33 45.56 3gjw h GLY 252 CO 0.02 1.03 -0.81 -0.35 0.00 0.00 0.00 176.54 176.42 3gjw s ASP 253 N -7.31 2.89 0.00 0.19 -1.08 -1.10 -4.97 116.67 105.29 3gjw s ASP 253 Ca -0.16 -3.14 0.18 0.00 -0.52 0.00 0.00 52.55 48.92 3gjw s ASP 253 Cb 0.05 -0.87 1.10 0.00 -1.46 0.00 0.00 42.92 41.74 3gjw s ASP 253 CO 0.86 -0.17 1.67 -0.81 0.52 0.00 0.00 175.17 177.24 3gjw n PRO 254 N 2.82 0.95 -4.41 4.34 -0.04 -0.11 -1.29 135.00 137.26 3gjw n PRO 254 Ca 0.22 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.35 3gjw n PRO 254 Cb 0.41 -1.30 -0.16 0.00 -0.04 0.00 0.00 33.50 32.41 3gjw n PRO 254 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3gjw s ILE 255 N -2.00 2.23 0.41 0.52 2.07 -1.26 0.70 121.20 123.87 3gjw s ILE 255 Ca 0.28 -0.90 0.02 0.00 -1.41 0.00 0.00 60.65 58.63 3gjw s ILE 255 Cb 0.13 -1.92 -0.01 0.00 0.13 0.00 0.00 42.46 40.79 3gjw s ILE 255 CO 0.21 0.53 0.06 0.61 -1.91 0.00 0.00 174.94 174.44 3gjw n GLY 256 N 4.31 3.51 3.07 1.50 0.00 -0.31 -4.96 105.19 112.30 3gjw n GLY 256 Ca -0.20 -2.24 -0.22 0.00 0.00 0.00 0.00 46.02 43.36 3gjw n GLY 256 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gjw s LEU 257 N 0.00 1.91 -0.00 0.99 1.43 -1.26 -1.33 118.68 120.42 3gjw s LEU 257 Ca 0.08 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 3gjw s LEU 257 Cb 0.00 -0.71 -0.01 0.00 0.03 0.00 0.00 46.19 45.51 3gjw s LEU 257 CO 0.06 0.12 -0.11 -0.51 0.23 0.00 0.00 176.35 176.14 3gjw s ILE 258 N -0.04 0.86 -0.01 -0.59 2.07 -0.28 -3.98 121.20 119.24 3gjw s ILE 258 Ca -0.00 -0.52 -0.01 0.00 -1.41 0.00 0.00 60.65 58.70 3gjw s ILE 258 Cb -0.08 -0.73 -0.04 0.00 0.13 0.00 0.00 42.46 41.74 3gjw s ILE 258 CO 0.00 0.20 0.11 -0.76 -1.91 0.00 0.00 174.94 172.59 3gjw s LEU 259 N -0.37 4.05 -0.22 8.50 1.43 0.49 0.28 118.68 132.84 3gjw s LEU 259 Ca 0.04 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.36 3gjw s LEU 259 Cb -0.05 -2.36 0.04 0.00 0.03 0.00 0.00 46.19 43.85 3gjw s LEU 259 CO -0.00 0.27 -0.13 -0.76 0.23 0.00 0.00 176.35 175.96 3gjw s LEU 260 N -1.78 2.67 0.10 1.79 1.43 -0.16 -0.07 118.68 122.66 3gjw s LEU 260 Ca 0.24 -1.01 0.09 0.00 -1.03 0.00 0.00 54.13 52.41 3gjw s LEU 260 Cb -0.12 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 3gjw s LEU 260 CO 0.15 -0.12 -0.23 -0.83 0.23 0.00 0.00 176.35 175.55 3gjw s GLY 261 N 1.26 1.31 -0.17 -3.19 0.00 -0.14 -1.04 107.32 105.35 3gjw s GLY 261 Ca -0.02 -1.27 -0.21 0.00 0.00 0.00 0.00 44.72 43.21 3gjw s GLY 261 CO -0.08 -1.25 0.62 1.85 0.00 0.00 0.00 173.10 174.24 3gjw s GLU 262 N -1.81 4.26 -0.13 2.90 2.12 -0.20 -1.03 118.70 124.81 3gjw s GLU 262 Ca 0.09 0.64 0.03 0.00 0.36 0.00 0.00 54.97 56.08 3gjw s GLU 262 Cb -0.10 -3.54 0.01 0.00 0.26 0.00 0.00 34.13 30.76 3gjw s GLU 262 CO 0.04 -0.15 -0.21 0.54 -0.54 0.00 0.00 175.26 174.94 3gjw s VAL 263 N 1.59 1.99 -1.21 3.70 0.11 0.03 -0.98 120.40 125.62 3gjw s VAL 263 Ca 0.30 -0.94 -0.17 0.00 -2.93 0.00 0.00 61.98 58.24 3gjw s VAL 263 Cb -0.16 -1.75 0.11 0.00 -1.53 0.00 0.00 36.38 33.05 3gjw s VAL 263 CO 0.11 0.54 1.56 0.00 -3.33 0.00 0.00 175.10 173.98 3gjw s ALA 264 N 0.77 3.53 0.14 1.54 0.00 -0.62 -1.53 121.76 125.59 3gjw s ALA 264 Ca -0.09 -3.02 -0.12 0.00 0.00 0.00 0.00 51.96 48.74 3gjw s ALA 264 Cb -0.16 -4.40 -0.03 0.00 0.00 0.00 0.00 23.12 18.53 3gjw s ALA 264 CO -0.00 -3.11 1.50 -0.07 0.00 0.00 0.00 175.76 174.08 3gjw h LEU 265 N 11.36 0.95 0.00 0.00 3.38 -1.66 -3.48 115.31 125.87 3gjw h LEU 265 Ca 0.36 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3gjw h LEU 265 Cb 0.89 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3gjw h LEU 265 CO 1.35 1.17 0.00 0.61 0.09 0.00 0.00 178.44 181.67 3gjw n GLY 266 N 0.02 -0.12 3.69 0.83 0.00 -1.10 -3.21 105.19 105.29 3gjw n GLY 266 Ca -0.02 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 3gjw n GLY 266 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gjw s ASN 267 N -4.00 7.04 0.11 1.61 0.01 -1.26 -4.74 114.94 113.70 3gjw s ASN 267 Ca 0.00 1.81 -0.10 0.00 -0.71 0.00 0.00 52.86 53.87 3gjw s ASN 267 Cb 0.00 -2.56 -0.06 0.00 0.41 0.00 0.00 41.25 39.04 3gjw s ASN 267 CO 0.00 -0.60 0.43 -0.04 -1.51 0.00 0.00 177.10 175.38 3gjw s MET 268 N 2.30 3.77 -0.37 -0.60 -1.94 -1.26 -0.69 119.30 120.52 3gjw s MET 268 Ca 0.56 0.19 -0.19 0.00 -1.71 0.00 0.00 55.69 54.54 3gjw s MET 268 Cb -0.25 -2.94 0.00 0.00 2.01 0.00 0.00 34.83 33.66 3gjw s MET 268 CO 0.22 0.51 0.54 -0.47 -0.01 0.00 0.00 175.02 175.81 3gjw s TYR 269 N -1.48 3.16 -0.23 -0.03 5.04 0.18 -4.87 117.35 119.12 3gjw s TYR 269 Ca 0.36 0.13 -0.17 0.00 -2.44 0.00 0.00 57.07 54.96 3gjw s TYR 269 Cb -0.14 -3.01 -0.03 0.00 0.35 0.00 0.00 41.96 39.13 3gjw s TYR 269 CO 0.19 -0.61 0.46 -1.21 -1.34 0.00 0.00 175.55 173.04 3gjw s GLU 270 N 2.48 4.13 0.11 4.97 2.02 -1.26 -0.74 118.70 130.40 3gjw s GLU 270 Ca 0.20 0.26 0.06 0.00 0.02 0.00 0.00 54.97 55.51 3gjw s GLU 270 Cb -0.15 -3.59 -0.03 0.00 0.10 0.00 0.00 34.13 30.45 3gjw s GLU 270 CO 0.14 -0.18 -0.15 -0.51 0.02 0.00 0.00 175.26 174.57 3gjw s LEU 271 N 1.77 2.35 0.00 1.80 1.43 -0.22 -4.98 118.68 120.84 3gjw s LEU 271 Ca 0.20 -0.73 0.09 0.00 -1.03 0.00 0.00 54.13 52.65 3gjw s LEU 271 Cb -0.15 -0.61 -0.08 0.00 0.03 0.00 0.00 46.19 45.37 3gjw s LEU 271 CO 0.09 -0.08 0.39 0.29 0.23 0.00 0.00 176.35 177.27 3gjw n LYS 272 N 0.84 3.94 -4.02 1.70 5.02 -1.26 -0.78 118.16 123.60 3gjw n LYS 272 Ca -0.18 -0.06 -0.08 0.00 -2.02 0.00 0.00 58.31 55.98 3gjw n LYS 272 Cb 0.56 -0.92 -0.09 0.00 -0.02 0.00 0.00 35.03 34.55 3gjw n LYS 272 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3gjw s HIS 273 N -1.76 0.42 0.05 2.13 3.76 -1.26 -2.46 115.29 116.16 3gjw s HIS 273 Ca 0.04 -0.92 -0.35 0.00 -0.15 0.00 0.00 55.06 53.67 3gjw s HIS 273 Cb 0.07 -0.29 -0.15 0.00 1.11 0.00 0.00 32.58 33.33 3gjw s HIS 273 CO 0.34 -0.45 1.58 0.00 -0.85 0.00 0.00 174.74 175.36 3gjw n ALA 274 N 0.04 0.40 -2.34 -1.40 0.00 -1.26 -4.97 120.51 110.98 3gjw n ALA 274 Ca -0.14 0.43 -0.17 0.00 0.00 0.00 0.00 53.44 53.57 3gjw n ALA 274 Cb 0.62 -2.28 -0.10 0.00 0.00 0.00 0.00 19.45 17.69 3gjw n ALA 274 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3gjw s SER 275 N 1.62 2.24 -0.57 0.00 0.01 -0.52 -5.02 113.70 111.45 3gjw s SER 275 Ca 0.85 -0.99 -0.13 0.00 1.31 0.00 0.00 55.95 56.99 3gjw s SER 275 Cb -0.81 -0.09 0.14 0.00 0.21 0.00 0.00 66.02 65.48 3gjw s SER 275 CO 0.46 -0.22 0.50 -1.00 0.41 0.00 0.00 173.24 173.39 3gjw s HIS 276 N -2.95 3.39 0.00 2.43 3.76 -1.26 -3.97 115.29 116.69 3gjw s HIS 276 Ca 0.19 -1.63 0.00 0.00 -0.15 0.00 0.00 55.06 53.46 3gjw s HIS 276 Cb -0.00 -3.69 0.00 0.00 1.11 0.00 0.00 32.58 29.99 3gjw s HIS 276 CO 0.04 -1.00 0.00 0.44 -0.85 0.00 0.00 174.74 173.37 3gjw n ILE 277 N 4.87 0.00 0.00 0.60 -5.35 -1.26 -4.92 119.36 113.30 3gjw n ILE 277 Ca -0.07 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 3gjw n ILE 277 Cb 0.41 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.31 3gjw n ILE 277 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 3gjw n SER 278 N 0.00 0.00 -4.37 7.28 7.64 -1.26 -4.80 113.62 118.11 3gjw n SER 278 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 3gjw n SER 278 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 3gjw n SER 278 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 3gjw s LYS 279 N 0.00 2.88 0.62 1.43 0.00 -1.26 -4.95 119.74 118.45 3gjw s LYS 279 Ca 0.00 -1.32 -0.15 0.00 0.00 0.00 0.00 55.97 54.50 3gjw s LYS 279 Cb 0.00 -4.00 -0.02 0.00 0.00 0.00 0.00 37.83 33.81 3gjw s LYS 279 CO 0.00 -0.95 1.07 -0.51 0.00 0.00 0.00 175.35 174.96 3gjw s LEU 280 N 1.59 3.45 0.45 2.77 2.01 -1.26 -5.02 118.68 122.67 3gjw s LEU 280 Ca 0.04 1.85 -0.22 0.00 0.01 0.00 0.00 54.13 55.81 3gjw s LEU 280 Cb -0.23 -4.54 -0.09 0.00 0.01 0.00 0.00 46.19 41.35 3gjw s LEU 280 CO 0.06 -1.30 1.05 -2.84 1.01 0.00 0.00 176.35 174.33 3gjw s PRO 281 N -4.13 3.93 0.03 1.29 0.02 -1.26 -4.91 135.00 129.96 3gjw s PRO 281 Ca 0.64 1.45 -0.36 0.00 0.02 0.00 0.00 61.00 62.75 3gjw s PRO 281 Cb -0.17 -2.28 -0.15 0.00 0.02 0.00 0.00 34.50 31.92 3gjw s PRO 281 CO 0.39 -0.34 1.56 1.63 -0.33 0.00 0.00 177.00 179.91 3gjw n LYS 282 N -0.61 1.62 -0.39 5.54 4.76 -1.26 -1.88 118.16 125.94 3gjw n LYS 282 Ca 0.08 0.59 0.00 0.00 -2.87 0.00 0.00 58.31 56.10 3gjw n LYS 282 Cb 0.51 -2.31 0.00 0.00 -1.84 0.00 0.00 35.03 31.40 3gjw n LYS 282 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gjw n GLY 283 N 3.34 0.78 3.40 0.72 0.00 -1.26 -5.07 105.19 107.09 3gjw n GLY 283 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 3gjw n GLY 283 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gjw s LYS 284 N -0.61 1.58 0.00 1.61 -0.14 -0.79 -4.58 119.74 116.81 3gjw s LYS 284 Ca 0.00 -1.25 0.00 0.00 -1.36 0.00 0.00 55.97 53.36 3gjw s LYS 284 Cb 0.00 -1.96 0.00 0.00 -1.68 0.00 0.00 37.83 34.19 3gjw s LYS 284 CO 0.00 0.47 0.26 0.72 -0.76 0.00 0.00 175.35 176.04 3gjw n HIS 285 N 1.12 0.00 -3.83 3.18 8.25 0.13 -4.73 115.22 119.35 3gjw n HIS 285 Ca -0.17 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.21 3gjw n HIS 285 Cb 0.53 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.61 3gjw n HIS 285 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3gjw s SER 286 N -0.03 -0.27 -0.04 0.41 1.04 -1.20 -4.69 113.70 108.93 3gjw s SER 286 Ca 0.00 -0.58 0.05 0.00 0.48 0.00 0.00 55.95 55.90 3gjw s SER 286 Cb 0.00 0.68 -0.02 0.00 0.10 0.00 0.00 66.02 66.78 3gjw s SER 286 CO 0.00 -1.25 -0.19 -0.69 0.98 0.00 0.00 173.24 172.08 3gjw s VAL 287 N -3.91 2.61 -0.17 5.02 1.01 -0.72 0.50 120.40 124.74 3gjw s VAL 287 Ca 0.12 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.20 3gjw s VAL 287 Cb -0.04 -1.98 0.01 0.00 0.00 0.00 0.00 36.38 34.36 3gjw s VAL 287 CO 0.04 0.58 -0.16 -0.75 0.00 0.00 0.00 175.10 174.82 3gjw s LYS 288 N -0.64 3.14 -0.34 2.72 2.20 0.08 -0.72 119.74 126.17 3gjw s LYS 288 Ca 0.10 -0.77 -0.17 0.00 -0.36 0.00 0.00 55.97 54.76 3gjw s LYS 288 Cb -0.11 -2.63 -0.01 0.00 -1.51 0.00 0.00 37.83 33.57 3gjw s LYS 288 CO 0.00 -0.09 0.48 0.20 -0.36 0.00 0.00 175.35 175.58 3gjw s GLY 289 N 1.06 1.84 -0.38 5.54 0.00 0.22 -1.05 107.32 114.55 3gjw s GLY 289 Ca -0.01 -1.00 -0.29 0.00 0.00 0.00 0.00 44.72 43.42 3gjw s GLY 289 CO -0.05 1.21 1.25 1.08 0.00 0.00 0.00 173.10 176.60 3gjw s LEU 290 N 2.31 3.75 0.53 0.66 1.43 0.04 -1.64 118.68 125.77 3gjw s LEU 290 Ca 0.18 0.90 -0.02 0.00 -1.03 0.00 0.00 54.13 54.16 3gjw s LEU 290 Cb -0.16 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.53 3gjw s LEU 290 CO 0.13 -1.18 0.78 -0.83 0.23 0.00 0.00 176.35 175.48 3gjw s GLY 291 N 2.83 1.62 0.28 -3.19 0.00 -1.24 -4.44 107.32 103.18 3gjw s GLY 291 Ca 0.54 -0.96 0.05 0.00 0.00 0.00 0.00 44.72 44.35 3gjw s GLY 291 CO 0.26 -0.72 1.69 0.50 0.00 0.00 0.00 173.10 174.83 3gjw h LYS 292 N 0.10 0.31 -6.22 2.90 1.57 -1.13 -3.43 116.57 110.67 3gjw h LYS 292 Ca -0.45 -0.15 -0.54 0.00 -1.87 0.00 0.00 60.65 57.64 3gjw h LYS 292 Cb 1.26 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.50 3gjw h LYS 292 CO 0.58 0.66 -0.58 0.99 -0.57 0.00 0.00 179.45 180.54 3gjw s THR 293 N -4.19 4.17 -0.08 -0.16 2.01 -0.19 0.88 115.64 118.08 3gjw s THR 293 Ca -0.05 -1.43 -0.30 0.00 0.31 0.00 0.00 61.69 60.22 3gjw s THR 293 Cb 0.13 -3.20 0.10 0.00 0.01 0.00 0.00 72.50 69.54 3gjw s THR 293 CO 0.78 -0.27 0.83 0.28 -0.69 0.00 0.00 174.62 175.55 3gjw s THR 294 N -2.03 0.00 0.51 -0.82 -1.32 -0.60 -3.83 115.64 107.54 3gjw s THR 294 Ca 0.31 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.58 3gjw s THR 294 Cb -0.08 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.85 3gjw s THR 294 CO 0.23 0.00 1.22 -2.84 -2.21 0.00 0.00 174.62 171.02 3gjw s PRO 295 N -1.43 3.44 -0.13 7.08 0.02 -1.26 -0.43 135.00 142.30 3gjw s PRO 295 Ca -0.05 1.90 -0.33 0.00 0.02 0.00 0.00 61.00 62.53 3gjw s PRO 295 Cb -0.00 -2.27 -0.11 0.00 0.02 0.00 0.00 34.50 32.15 3gjw s PRO 295 CO 0.04 -0.85 1.97 -3.47 -0.33 0.00 0.00 177.00 174.36 3gjw n ASP 296 N -0.86 3.34 0.28 2.53 -0.08 0.21 -4.76 116.55 117.22 3gjw n ASP 296 Ca 0.09 0.81 0.14 0.00 -1.51 0.00 0.00 54.79 54.32 3gjw n ASP 296 Cb 0.48 -1.39 0.83 0.00 2.34 0.00 0.00 41.12 43.37 3gjw n ASP 296 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3gjw h PRO 297 N 10.45 0.00 0.00 -0.67 0.10 -1.90 -2.55 132.00 137.42 3gjw h PRO 297 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.65 3gjw h PRO 297 Cb 1.27 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.37 3gjw h PRO 297 CO 0.96 0.06 0.00 0.66 0.10 0.00 0.00 178.00 179.78 3gjw h SER 298 N 0.00 0.00 -0.79 -2.05 4.64 -2.00 -2.97 113.55 110.38 3gjw h SER 298 Ca -0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 3gjw h SER 298 Cb 0.17 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.01 3gjw h SER 298 CO 0.01 0.00 0.38 0.00 -0.87 0.00 0.00 176.83 176.35 3gjw n ALA 299 N -2.06 5.33 -1.83 5.18 0.00 -0.96 -5.00 120.51 121.18 3gjw n ALA 299 Ca -0.00 -3.14 -0.32 0.00 0.00 0.00 0.00 53.44 49.98 3gjw n ALA 299 Cb 0.22 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 3gjw n ALA 299 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3gjw s ASN 300 N -1.91 6.57 -0.24 0.00 0.02 -1.13 -3.86 114.94 114.39 3gjw s ASN 300 Ca 0.54 1.59 -0.03 0.00 -1.02 0.00 0.00 52.86 53.95 3gjw s ASN 300 Cb 0.46 -2.51 0.12 0.00 0.02 0.00 0.00 41.25 39.34 3gjw s ASN 300 CO 0.05 -0.63 0.31 -0.63 0.02 0.00 0.00 177.10 176.23 3gjw s ILE 301 N -2.61 -0.48 -0.14 0.60 1.09 -0.65 -4.98 121.20 114.03 3gjw s ILE 301 Ca 0.59 -0.15 -0.23 0.00 -1.10 0.00 0.00 60.65 59.76 3gjw s ILE 301 Cb -0.10 -0.80 -0.03 0.00 -1.06 0.00 0.00 42.46 40.47 3gjw s ILE 301 CO 0.32 -0.20 0.72 -0.94 -0.10 0.00 0.00 174.94 174.73 3gjw s SER 302 N 2.45 6.88 -0.19 3.58 1.04 -1.25 -0.97 113.70 125.24 3gjw s SER 302 Ca 0.10 1.07 -0.06 0.00 0.48 0.00 0.00 55.95 57.54 3gjw s SER 302 Cb -0.15 -2.41 -0.03 0.00 0.10 0.00 0.00 66.02 63.53 3gjw s SER 302 CO -0.17 -0.26 0.02 -0.76 0.98 0.00 0.00 173.24 173.05 3gjw s LEU 303 N 1.58 3.46 0.00 2.42 1.43 1.60 -4.42 118.68 124.75 3gjw s LEU 303 Ca 0.35 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 3gjw s LEU 303 Cb -0.17 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.18 3gjw s LEU 303 CO 0.14 0.11 0.00 -0.67 0.23 0.00 0.00 176.35 176.16 3gjw n ASP 304 N 3.95 -2.50 0.00 2.29 4.64 -1.26 0.40 116.55 124.07 3gjw n ASP 304 Ca -0.17 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.24 3gjw n ASP 304 Cb 0.52 -2.76 0.00 0.00 -1.04 0.00 0.00 41.12 37.84 3gjw n ASP 304 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3gjw n GLY 305 N -0.58 1.98 3.67 0.27 0.00 -1.26 -5.08 105.19 104.18 3gjw n GLY 305 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3gjw n GLY 305 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gjw s VAL 306 N -1.90 3.83 0.08 1.61 1.01 1.33 -4.68 120.40 121.67 3gjw s VAL 306 Ca 0.00 1.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.72 3gjw s VAL 306 Cb 0.00 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 3gjw s VAL 306 CO 0.00 -0.08 1.01 -0.62 0.00 0.00 0.00 175.10 175.41 3gjw s ASP 307 N 2.64 7.39 -0.35 3.32 -1.08 0.42 0.45 116.67 129.46 3gjw s ASP 307 Ca 0.66 1.81 0.02 0.00 -0.52 0.00 0.00 52.55 54.52 3gjw s ASP 307 Cb -0.29 -2.58 0.10 0.00 -1.46 0.00 0.00 42.92 38.69 3gjw s ASP 307 CO 0.24 -0.19 0.09 -0.69 0.52 0.00 0.00 175.17 175.15 3gjw s VAL 308 N 0.41 1.75 -1.30 1.11 1.01 -0.14 0.03 120.40 123.27 3gjw s VAL 308 Ca 0.50 -2.10 -0.12 0.00 0.00 0.00 0.00 61.98 60.25 3gjw s VAL 308 Cb -0.24 -2.30 0.13 0.00 0.00 0.00 0.00 36.38 33.98 3gjw s VAL 308 CO 0.30 -0.66 1.80 -0.81 0.00 0.00 0.00 175.10 175.73 3gjw n PRO 309 N 4.33 3.36 -0.14 2.72 -0.04 -1.26 -1.64 135.00 142.33 3gjw n PRO 309 Ca 0.02 -3.42 0.06 0.00 -0.04 0.00 0.00 63.50 60.12 3gjw n PRO 309 Cb 0.41 -3.10 0.19 0.00 -0.04 0.00 0.00 33.50 30.96 3gjw n PRO 309 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 3gjw n LEU 310 N 5.34 1.64 -4.57 1.53 -0.00 -1.26 -4.83 117.00 114.85 3gjw n LEU 310 Ca 0.42 -0.79 -0.36 0.00 -0.00 0.00 0.00 56.01 55.28 3gjw n LEU 310 Cb 0.40 -0.19 0.08 0.00 -0.00 0.00 0.00 43.42 43.71 3gjw n LEU 310 CO 0.77 0.40 0.39 0.61 -0.00 0.00 0.00 177.39 179.56 3gjw n GLY 311 N 1.02 -0.76 3.77 1.47 0.00 -1.25 -4.42 105.19 105.02 3gjw n GLY 311 Ca 0.12 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 3gjw n GLY 311 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3gjw s THR 312 N -1.83 3.05 0.13 2.61 -1.32 -1.26 -4.05 115.64 112.97 3gjw s THR 312 Ca 0.71 1.04 -0.32 0.00 -1.21 0.00 0.00 61.69 61.91 3gjw s THR 312 Cb -0.35 -3.66 -0.12 0.00 -1.51 0.00 0.00 72.50 66.86 3gjw s THR 312 CO 0.52 0.24 1.75 0.61 -2.21 0.00 0.00 174.62 175.53 3gjw n GLY 313 N 0.93 1.49 3.34 6.08 0.00 -1.24 -0.62 105.19 115.18 3gjw n GLY 313 Ca -0.00 0.69 -0.18 0.00 0.00 0.00 0.00 46.02 46.53 3gjw n GLY 313 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3gjw s ILE 314 N 2.04 1.27 0.25 -0.61 -4.36 0.43 -4.85 121.20 115.37 3gjw s ILE 314 Ca 0.81 -2.08 -0.30 0.00 -0.26 0.00 0.00 60.65 58.81 3gjw s ILE 314 Cb -0.56 -2.25 -0.11 0.00 1.25 0.00 0.00 42.46 40.79 3gjw s ILE 314 CO 0.38 -0.42 1.55 -0.55 0.24 0.00 0.00 174.94 176.13 3gjw s SER 315 N -3.32 6.51 0.77 4.36 0.15 -1.26 -1.56 113.70 119.35 3gjw s SER 315 Ca 0.26 2.78 -0.04 0.00 0.70 0.00 0.00 55.95 59.65 3gjw s SER 315 Cb 0.04 -2.62 0.10 0.00 -1.71 0.00 0.00 66.02 61.83 3gjw s SER 315 CO 0.08 -0.83 0.63 -1.54 1.20 0.00 0.00 173.24 172.78 3gjw n SER 316 N 2.71 0.43 -0.08 5.45 3.41 0.25 -4.80 113.62 120.99 3gjw n SER 316 Ca 0.09 -1.46 -0.07 0.00 -0.26 0.00 0.00 58.87 57.18 3gjw n SER 316 Cb 0.38 -0.45 -0.00 0.00 -0.26 0.00 0.00 64.21 63.89 3gjw n SER 316 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3gjw h GLY 317 N -0.62 0.31 -5.39 5.00 0.00 -1.88 -3.44 103.07 97.05 3gjw h GLY 317 Ca -0.21 0.01 -0.55 0.00 0.00 0.00 0.00 47.33 46.59 3gjw h GLY 317 CO 0.18 -0.04 -0.83 -1.34 0.00 0.00 0.00 176.54 174.51 3gjw s VAL 318 N -6.18 1.34 -1.32 4.60 -7.23 -1.26 -5.00 120.40 105.36 3gjw s VAL 318 Ca -0.13 -0.66 0.11 0.00 -1.81 0.00 0.00 61.98 59.50 3gjw s VAL 318 Cb 0.11 -1.17 0.15 0.00 0.56 0.00 0.00 36.38 36.04 3gjw s VAL 318 CO 0.70 0.39 0.97 -0.46 -0.31 0.00 0.00 175.10 176.39 3gjw n ASN 319 N 3.28 2.23 -0.57 4.85 0.23 -1.26 -4.19 115.26 119.83 3gjw n ASN 319 Ca -0.19 -1.62 0.00 0.00 -0.53 0.00 0.00 54.58 52.24 3gjw n ASN 319 Cb 0.53 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 3gjw n ASN 319 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3gjw n ASP 320 N 0.62 1.07 -5.00 0.53 5.75 -1.26 -4.78 116.55 113.48 3gjw n ASP 320 Ca 0.08 -1.66 -0.18 0.00 -0.01 0.00 0.00 54.79 53.02 3gjw n ASP 320 Cb 0.33 -0.41 0.02 0.00 -1.03 0.00 0.00 41.12 40.02 3gjw n ASP 320 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3gjw s THR 321 N -0.83 2.88 -1.38 2.12 -1.32 -1.26 -4.99 115.64 110.86 3gjw s THR 321 Ca 0.00 -0.94 0.22 0.00 -1.21 0.00 0.00 61.69 59.77 3gjw s THR 321 Cb 0.00 -2.94 -0.10 0.00 -1.51 0.00 0.00 72.50 67.95 3gjw s THR 321 CO 0.00 0.00 1.07 -1.20 -2.21 0.00 0.00 174.62 172.28 3gjw n SER 322 N -1.97 1.26 -4.75 8.08 7.64 -1.03 -4.94 113.62 117.91 3gjw n SER 322 Ca 0.09 -1.06 -0.30 0.00 1.01 0.00 0.00 58.87 58.60 3gjw n SER 322 Cb 0.59 0.68 -0.07 0.00 -1.01 0.00 0.00 64.21 64.41 3gjw n SER 322 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3gjw s LEU 323 N -2.80 3.70 -0.01 -3.43 1.43 -1.26 -5.02 118.68 111.28 3gjw s LEU 323 Ca 0.13 -0.07 0.15 0.00 -1.03 0.00 0.00 54.13 53.30 3gjw s LEU 323 Cb 0.17 -2.39 -0.19 0.00 0.03 0.00 0.00 46.19 43.81 3gjw s LEU 323 CO 0.73 0.17 0.71 -0.11 0.23 0.00 0.00 176.35 178.08 3gjw n LEU 324 N 0.43 0.83 -4.29 1.79 7.94 -1.26 -1.60 117.00 120.84 3gjw n LEU 324 Ca -0.09 0.38 -0.15 0.00 -1.11 0.00 0.00 56.01 55.04 3gjw n LEU 324 Cb 0.52 0.14 -0.10 0.00 0.53 0.00 0.00 43.42 44.51 3gjw n LEU 324 CO 0.43 0.29 -0.31 -0.31 -1.11 0.00 0.00 177.39 176.38 3gjw s TYR 325 N -2.74 1.42 0.45 1.96 2.02 -1.26 -1.02 117.35 118.18 3gjw s TYR 325 Ca -0.04 -1.04 -0.23 0.00 -0.37 0.00 0.00 57.07 55.39 3gjw s TYR 325 Cb 0.08 -0.82 -0.08 0.00 -0.40 0.00 0.00 41.96 40.75 3gjw s TYR 325 CO 0.82 -0.20 1.17 -0.80 -1.57 0.00 0.00 175.55 174.97 3gjw s ASN 326 N -3.26 6.24 -0.03 2.29 0.01 -1.25 -3.67 114.94 115.28 3gjw s ASN 326 Ca 0.29 2.31 0.02 0.00 -0.71 0.00 0.00 52.86 54.77 3gjw s ASN 326 Cb 0.06 -2.60 0.01 0.00 0.41 0.00 0.00 41.25 39.13 3gjw s ASN 326 CO 0.08 -0.87 -0.06 -1.61 -1.51 0.00 0.00 177.10 173.13 3gjw s GLU 327 N -2.63 0.84 -0.14 -0.60 2.02 -0.65 -4.19 118.70 113.36 3gjw s GLU 327 Ca 0.62 -0.19 0.02 0.00 0.02 0.00 0.00 54.97 55.44 3gjw s GLU 327 Cb -0.29 -0.81 0.00 0.00 0.10 0.00 0.00 34.13 33.14 3gjw s GLU 327 CO 0.35 0.02 -0.20 0.71 0.02 0.00 0.00 175.26 176.16 3gjw s TYR 328 N 0.51 2.68 -0.07 1.61 1.51 0.05 0.72 117.35 124.36 3gjw s TYR 328 Ca -0.07 -1.21 0.04 0.00 -1.01 0.00 0.00 57.07 54.82 3gjw s TYR 328 Cb -0.11 -1.82 0.00 0.00 -0.11 0.00 0.00 41.96 39.93 3gjw s TYR 328 CO 0.00 -0.54 -0.19 0.42 -1.11 0.00 0.00 175.55 174.14 3gjw s ILE 329 N 0.72 1.60 0.07 2.71 1.09 0.10 -0.27 121.20 127.22 3gjw s ILE 329 Ca -0.09 -0.77 0.09 0.00 -1.10 0.00 0.00 60.65 58.78 3gjw s ILE 329 Cb -0.16 -1.40 -0.03 0.00 -1.06 0.00 0.00 42.46 39.81 3gjw s ILE 329 CO 0.00 0.46 -0.25 0.68 -0.10 0.00 0.00 174.94 175.74 3gjw s VAL 330 N 0.32 2.33 -0.80 2.92 -7.23 -0.88 -1.75 120.40 115.30 3gjw s VAL 330 Ca -0.12 -1.44 0.10 0.00 -1.81 0.00 0.00 61.98 58.70 3gjw s VAL 330 Cb -0.15 -1.96 0.28 0.00 0.56 0.00 0.00 36.38 35.11 3gjw s VAL 330 CO 0.05 0.29 1.23 -1.22 -0.31 0.00 0.00 175.10 175.14 3gjw n TYR 331 N 1.49 0.43 -4.46 2.82 4.02 -1.26 -0.87 117.16 119.32 3gjw n TYR 331 Ca -0.17 -0.51 -0.27 0.00 -0.01 0.00 0.00 57.90 56.93 3gjw n TYR 331 Cb 0.52 -0.04 -0.17 0.00 -0.02 0.00 0.00 39.34 39.64 3gjw n TYR 331 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3gjw s ASP 332 N -1.03 2.24 0.40 7.72 -1.08 -1.26 -5.01 116.67 118.65 3gjw s ASP 332 Ca 0.21 -0.38 0.09 0.00 -0.52 0.00 0.00 52.55 51.95 3gjw s ASP 332 Cb 0.11 -1.00 0.84 0.00 -1.46 0.00 0.00 42.92 41.42 3gjw s ASP 332 CO 0.14 0.01 1.98 0.16 0.52 0.00 0.00 175.17 177.98 3gjw h ILE 333 N 5.98 1.14 0.00 4.11 3.07 -1.90 -2.70 117.51 127.20 3gjw h ILE 333 Ca -0.30 -0.53 0.00 0.00 1.55 0.00 0.00 64.86 65.57 3gjw h ILE 333 Cb 1.18 0.98 0.00 0.00 -0.27 0.00 0.00 36.82 38.70 3gjw h ILE 333 CO 0.48 0.18 0.00 0.00 -1.05 0.00 0.00 178.15 177.76 3gjw n ALA 334 N -2.49 2.41 1.18 0.16 0.00 -1.26 -2.66 120.51 117.85 3gjw n ALA 334 Ca 0.00 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.46 3gjw n ALA 334 Cb 0.19 -1.29 0.43 0.00 0.00 0.00 0.00 19.45 18.78 3gjw n ALA 334 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3gjw n GLN 335 N -0.84 0.41 -4.71 0.00 6.02 -1.02 -4.03 117.38 113.21 3gjw n GLN 335 Ca 0.13 -0.19 -0.33 0.00 -0.01 0.00 0.00 57.00 56.59 3gjw n GLN 335 Cb 0.06 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 29.71 3gjw n GLN 335 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3gjw s VAL 336 N -2.72 3.48 -0.37 5.09 1.01 -1.09 -1.58 120.40 124.22 3gjw s VAL 336 Ca 0.20 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.62 3gjw s VAL 336 Cb 0.19 -2.41 0.13 0.00 0.00 0.00 0.00 36.38 34.29 3gjw s VAL 336 CO 0.57 0.59 0.20 0.21 0.00 0.00 0.00 175.10 176.67 3gjw s ASN 337 N -0.72 3.39 0.10 3.32 3.04 -0.15 -4.86 114.94 119.06 3gjw s ASN 337 Ca 0.11 -2.19 -0.32 0.00 0.04 0.00 0.00 52.86 50.50 3gjw s ASN 337 Cb -0.11 -0.67 -0.11 0.00 -1.54 0.00 0.00 41.25 38.81 3gjw s ASN 337 CO 0.01 -0.32 1.82 0.18 -3.04 0.00 0.00 177.10 175.76 3gjw n LEU 338 N 4.07 3.87 -0.03 3.21 4.77 -1.26 -1.04 117.00 130.58 3gjw n LEU 338 Ca 0.07 0.99 -0.04 0.00 -0.03 0.00 0.00 56.01 57.00 3gjw n LEU 338 Cb 0.37 -1.51 -0.04 0.00 -2.33 0.00 0.00 43.42 39.91 3gjw n LEU 338 CO 0.17 0.09 -0.73 0.29 -1.33 0.00 0.00 177.39 175.88 3gjw n LYS 339 N 5.62 1.72 -4.02 3.23 4.76 -0.20 -4.50 118.16 124.76 3gjw n LYS 339 Ca 0.19 0.02 -0.09 0.00 -2.87 0.00 0.00 58.31 55.55 3gjw n LYS 339 Cb 0.35 -1.16 -0.11 0.00 -1.84 0.00 0.00 35.03 32.28 3gjw n LYS 339 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3gjw s TYR 340 N -2.15 0.41 -0.08 2.13 2.02 -0.29 -0.38 117.35 119.00 3gjw s TYR 340 Ca -0.07 -0.66 0.01 0.00 -0.37 0.00 0.00 57.07 55.99 3gjw s TYR 340 Cb 0.02 -0.28 0.02 0.00 -0.40 0.00 0.00 41.96 41.32 3gjw s TYR 340 CO 0.22 -0.21 -0.10 -1.17 -1.57 0.00 0.00 175.55 172.72 3gjw s LEU 341 N -1.86 1.44 -0.07 -1.29 0.20 0.63 -0.99 118.68 116.75 3gjw s LEU 341 Ca -0.09 -0.28 0.02 0.00 0.69 0.00 0.00 54.13 54.47 3gjw s LEU 341 Cb -0.05 -0.79 -0.03 0.00 -0.43 0.00 0.00 46.19 44.89 3gjw s LEU 341 CO -0.03 -0.03 -0.11 -0.76 -0.29 0.00 0.00 176.35 175.13 3gjw s LEU 342 N 1.07 2.94 -0.23 -0.68 1.02 0.14 -0.08 118.68 122.86 3gjw s LEU 342 Ca -0.07 -0.13 -0.07 0.00 0.02 0.00 0.00 54.13 53.88 3gjw s LEU 342 Cb -0.14 -1.62 -0.03 0.00 0.02 0.00 0.00 46.19 44.41 3gjw s LEU 342 CO -0.01 0.33 0.07 -0.75 0.02 0.00 0.00 176.35 176.02 3gjw s LYS 343 N -0.64 3.76 0.06 1.70 2.20 0.07 -1.13 119.74 125.76 3gjw s LYS 343 Ca 0.10 -0.43 0.06 0.00 -0.36 0.00 0.00 55.97 55.34 3gjw s LYS 343 Cb -0.11 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 32.87 3gjw s LYS 343 CO 0.01 -0.06 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.26 3gjw s LEU 344 N 1.27 2.22 -0.13 5.43 1.43 -0.44 -1.86 118.68 126.61 3gjw s LEU 344 Ca 0.05 -0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 52.56 3gjw s LEU 344 Cb -0.15 -0.76 -0.03 0.00 0.03 0.00 0.00 46.19 45.28 3gjw s LEU 344 CO 0.04 0.05 -0.04 -0.75 0.23 0.00 0.00 176.35 175.88 3gjw s LYS 345 N -1.47 3.38 -0.25 1.70 2.20 -0.09 -1.16 119.74 124.05 3gjw s LYS 345 Ca 0.04 -0.52 -0.10 0.00 -0.36 0.00 0.00 55.97 55.03 3gjw s LYS 345 Cb -0.09 -2.82 -0.05 0.00 -1.51 0.00 0.00 37.83 33.37 3gjw s LYS 345 CO 0.02 0.39 0.15 -0.06 -0.36 0.00 0.00 175.35 175.49 3gjw s PHE 346 N -0.05 3.24 -0.47 4.03 0.40 0.22 -1.63 117.98 123.72 3gjw s PHE 346 Ca 0.01 0.08 -0.14 0.00 -0.60 0.00 0.00 56.93 56.28 3gjw s PHE 346 Cb -0.13 -2.28 0.08 0.00 0.51 0.00 0.00 43.02 41.20 3gjw s PHE 346 CO 0.03 -0.06 0.39 -0.80 0.70 0.00 0.00 175.22 175.48 3gjw s ASN 347 N 1.30 6.06 0.13 1.36 0.01 -0.10 -4.81 114.94 118.88 3gjw s ASN 347 Ca 0.07 -1.43 -0.30 0.00 -0.71 0.00 0.00 52.86 50.48 3gjw s ASN 347 Cb -0.14 -2.15 -0.07 0.00 0.41 0.00 0.00 41.25 39.29 3gjw s ASN 347 CO 0.06 -0.66 1.19 -0.36 -1.51 0.00 0.00 177.10 175.82 3gjw s PHE 348 N 1.60 3.45 -0.14 2.20 0.40 -1.26 -0.94 117.98 123.29 3gjw s PHE 348 Ca 0.04 1.38 0.21 0.00 -0.60 0.00 0.00 56.93 57.95 3gjw s PHE 348 Cb -0.25 -3.42 0.45 0.00 0.51 0.00 0.00 43.02 40.32 3gjw s PHE 348 CO 0.05 -1.20 1.63 -0.22 0.70 0.00 0.00 175.22 176.18 3gjw h LYS 349 N 5.94 0.00 0.00 0.44 3.11 -1.53 -3.48 116.57 121.06 3gjw h LYS 349 Ca -0.43 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.41 3gjw h LYS 349 Cb 1.21 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.44 3gjw h LYS 349 CO 0.78 0.26 0.00 0.25 -2.81 0.00 0.00 179.45 177.93