#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jws s PHE 300 N 0.00 3.64 -0.04 -0.14 0.40 -1.26 -4.79 117.98 115.78 3jws s PHE 300 Ca 0.00 1.36 0.06 0.00 -0.60 0.00 0.00 56.93 57.75 3jws s PHE 300 Cb 0.00 -2.84 -0.01 0.00 0.51 0.00 0.00 43.02 40.68 3jws s PHE 300 CO 0.00 0.14 -0.22 -0.51 0.70 0.00 0.00 175.22 175.33 3jws s LEU 301 N 0.54 2.03 -0.12 -0.37 1.43 -0.95 -4.94 118.68 116.30 3jws s LEU 301 Ca 0.39 -0.44 -0.08 0.00 -1.03 0.00 0.00 54.13 52.97 3jws s LEU 301 Cb -0.19 -1.21 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 3jws s LEU 301 CO 0.21 0.24 0.16 -0.54 0.23 0.00 0.00 176.35 176.65 3jws s LYS 302 N -0.27 3.61 -0.06 1.70 3.01 -1.26 0.17 119.74 126.64 3jws s LYS 302 Ca 0.01 -0.09 0.06 0.00 -1.01 0.00 0.00 55.97 54.94 3jws s LYS 302 Cb -0.11 -3.23 -0.01 0.00 -1.01 0.00 0.00 37.83 33.47 3jws s LYS 302 CO 0.01 0.69 -0.24 0.14 0.51 0.00 0.00 175.35 176.46 3jws s VAL 303 N -0.79 2.01 0.00 3.17 -7.23 0.63 -4.96 120.40 113.23 3jws s VAL 303 Ca 0.15 -1.04 0.05 0.00 -1.81 0.00 0.00 61.98 59.33 3jws s VAL 303 Cb -0.12 -1.70 -0.03 0.00 0.56 0.00 0.00 36.38 35.09 3jws s VAL 303 CO 0.04 0.56 -0.13 -0.75 -0.31 0.00 0.00 175.10 174.51 3jws s LYS 304 N -0.12 2.36 -0.27 4.82 2.20 -1.26 -0.08 119.74 127.38 3jws s LYS 304 Ca -0.04 -0.81 -0.10 0.00 -0.36 0.00 0.00 55.97 54.66 3jws s LYS 304 Cb -0.14 -2.35 -0.04 0.00 -1.51 0.00 0.00 37.83 33.79 3jws s LYS 304 CO 0.04 0.59 0.15 1.21 -0.36 0.00 0.00 175.35 176.97 3jws s ASN 305 N -1.23 5.72 0.00 1.43 3.84 -0.09 -1.53 114.94 123.07 3jws s ASN 305 Ca 0.15 -0.08 0.30 0.00 0.21 0.00 0.00 52.86 53.43 3jws s ASN 305 Cb -0.11 -2.05 1.37 0.00 -0.55 0.00 0.00 41.25 39.91 3jws s ASN 305 CO 0.05 -0.05 1.97 0.79 -2.79 0.00 0.00 177.10 177.07 3jws n TRP 306 N 5.01 0.00 -0.04 0.43 7.02 -0.25 -0.06 117.44 129.55 3jws n TRP 306 Ca -0.15 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.14 3jws n TRP 306 Cb 0.52 -0.32 -0.13 0.00 -2.42 0.00 0.00 31.31 28.95 3jws n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3jws n GLU 307 N -1.30 0.72 -0.00 -0.99 2.13 -1.26 -4.61 120.64 115.33 3jws n GLU 307 Ca 0.12 0.22 0.06 0.00 0.66 0.00 0.00 57.16 58.23 3jws n GLU 307 Cb 0.27 -1.65 -0.09 0.00 0.27 0.00 0.00 31.44 30.24 3jws n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3jws n THR 308 N -3.38 0.00 -0.82 6.31 -2.24 -1.21 -4.99 114.28 107.96 3jws n THR 308 Ca -0.35 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 3jws n THR 308 Cb 1.03 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.84 3jws n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3jws n ASP 309 N -1.65 -1.17 -4.70 3.42 8.00 0.91 -4.97 116.55 116.38 3jws n ASP 309 Ca -0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 3jws n ASP 309 Cb 0.28 -1.42 -0.03 0.00 -0.02 0.00 0.00 41.12 39.93 3jws n ASP 309 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3jws s VAL 310 N -2.26 2.98 -0.12 2.53 1.01 -1.24 -4.76 120.40 118.54 3jws s VAL 310 Ca 0.00 0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.54 3jws s VAL 310 Cb 0.00 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 3jws s VAL 310 CO 0.00 0.01 -0.15 -0.69 0.00 0.00 0.00 175.10 174.27 3jws s VAL 311 N 2.07 2.85 0.13 2.92 1.01 -1.26 -0.92 120.40 127.21 3jws s VAL 311 Ca 0.71 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 62.05 3jws s VAL 311 Cb -0.40 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 3jws s VAL 311 CO 0.31 0.54 -0.18 -0.76 0.00 0.00 0.00 175.10 175.01 3jws s LEU 312 N 0.26 2.70 -0.20 3.92 1.43 0.88 -4.95 118.68 122.72 3jws s LEU 312 Ca -0.11 -0.60 -0.04 0.00 -1.03 0.00 0.00 54.13 52.36 3jws s LEU 312 Cb -0.16 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 3jws s LEU 312 CO 0.06 0.16 -0.03 -0.89 0.23 0.00 0.00 176.35 175.88 3jws s THR 313 N -1.27 3.59 -0.33 5.49 2.01 -1.26 -0.27 115.64 123.60 3jws s THR 313 Ca 0.19 -0.43 -0.12 0.00 0.31 0.00 0.00 61.69 61.64 3jws s THR 313 Cb -0.10 -2.62 -0.01 0.00 0.01 0.00 0.00 72.50 69.78 3jws s THR 313 CO 0.11 0.43 0.22 -0.62 -0.69 0.00 0.00 174.62 174.07 3jws s ASP 314 N 1.16 5.94 -0.01 3.53 -1.08 0.44 -4.63 116.67 122.03 3jws s ASP 314 Ca 0.02 -0.45 0.12 0.00 -0.52 0.00 0.00 52.55 51.72 3jws s ASP 314 Cb -0.14 -2.11 -0.16 0.00 -1.46 0.00 0.00 42.92 39.05 3jws s ASP 314 CO -0.00 -0.23 0.38 0.35 0.52 0.00 0.00 175.17 176.19 3jws n THR 315 N 5.08 0.00 0.20 1.71 -2.24 0.90 -2.23 114.28 117.70 3jws n THR 315 Ca -0.13 -0.25 0.06 0.00 -2.27 0.00 0.00 64.05 61.46 3jws n THR 315 Cb 0.50 0.62 0.42 0.00 -2.10 0.00 0.00 70.33 69.76 3jws n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3jws h LEU 316 N 0.00 0.00 -2.43 3.22 5.85 -1.49 -2.87 115.31 117.59 3jws h LEU 316 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3jws h LEU 316 Cb 0.41 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 3jws h LEU 316 CO 0.00 0.33 0.01 1.12 -0.34 0.00 0.00 178.44 179.56 3jws h HIS 317 N 0.00 0.00 0.00 1.25 2.07 -1.84 -1.76 115.15 114.87 3jws h HIS 317 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3jws h HIS 317 Cb 0.70 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.68 3jws h HIS 317 CO 0.00 0.00 0.00 -0.07 -3.07 0.00 0.00 177.93 174.79 3jws h LEU 318 N 0.00 0.00 -1.67 6.12 3.38 -1.84 -1.13 115.31 120.17 3jws h LEU 318 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3jws h LEU 318 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3jws h LEU 318 CO -0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 3jws n LYS 319 N -2.52 2.09 -2.30 1.13 5.02 -0.66 -4.96 118.16 115.97 3jws n LYS 319 Ca -0.00 -1.65 -0.41 0.00 -2.02 0.00 0.00 58.31 54.24 3jws n LYS 319 Cb 0.15 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.68 3jws n LYS 319 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3jws s SER 320 N -1.50 7.01 -0.01 4.39 0.15 -0.43 -4.91 113.70 118.40 3jws s SER 320 Ca 0.35 2.43 0.01 0.00 0.70 0.00 0.00 55.95 59.44 3jws s SER 320 Cb 0.20 -2.63 -0.02 0.00 -1.71 0.00 0.00 66.02 61.86 3jws s SER 320 CO 0.28 -0.37 0.01 1.07 1.20 0.00 0.00 173.24 175.43 3jws n THR 321 N 1.48 0.08 -3.61 6.45 5.66 -1.14 -5.04 114.28 118.16 3jws n THR 321 Ca 0.01 -0.06 -0.26 0.00 -3.05 0.00 0.00 64.05 60.69 3jws n THR 321 Cb 0.43 -0.68 -0.03 0.00 -1.55 0.00 0.00 70.33 68.51 3jws n THR 321 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3jws s LEU 322 N -3.91 4.17 0.27 1.09 1.43 -1.23 -5.10 118.68 115.40 3jws s LEU 322 Ca -0.01 0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 53.37 3jws s LEU 322 Cb 0.01 -3.22 -0.08 0.00 0.03 0.00 0.00 46.19 42.92 3jws s LEU 322 CO 0.06 -0.12 0.69 -1.61 0.23 0.00 0.00 176.35 175.60 3jws s GLU 323 N -3.60 4.02 0.20 1.70 2.02 -1.26 -4.44 118.70 117.35 3jws s GLU 323 Ca 0.39 0.63 0.19 0.00 0.02 0.00 0.00 54.97 56.20 3jws s GLU 323 Cb -0.10 -2.60 0.01 0.00 0.10 0.00 0.00 34.13 31.54 3jws s GLU 323 CO 0.30 0.26 1.15 1.79 0.02 0.00 0.00 175.26 178.78 3jws h THR 324 N 2.20 0.40 0.00 3.63 1.35 -1.99 -3.48 112.91 115.03 3jws h THR 324 Ca -0.48 -1.67 0.00 0.00 -0.55 0.00 0.00 66.41 63.71 3jws h THR 324 Cb 1.18 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 3jws h THR 324 CO 0.66 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 176.77 3jws n GLY 325 N 1.26 2.61 3.82 5.82 0.00 -1.26 -4.84 105.19 112.59 3jws n GLY 325 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 3jws n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jws s THR 327 N -3.21 0.05 0.30 0.00 -4.23 -0.25 -5.00 115.64 103.31 3jws s THR 327 Ca 0.60 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 59.48 3jws s THR 327 Cb -0.14 -2.48 0.37 0.00 1.34 0.00 0.00 72.50 71.60 3jws s THR 327 CO 0.54 0.00 2.11 -0.33 -0.54 0.00 0.00 174.62 176.39 3jws h GLU 328 N 2.13 0.00 0.00 3.99 3.07 -2.05 -3.12 114.58 118.60 3jws h GLU 328 Ca -0.26 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.54 3jws h GLU 328 Cb 1.24 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.14 3jws h GLU 328 CO 0.39 0.00 -1.99 0.72 -1.40 0.00 0.00 179.01 176.73 3jws n HIS 329 N -2.84 0.00 -3.77 4.33 8.25 -1.26 -5.00 115.22 114.93 3jws n HIS 329 Ca -0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.32 3jws n HIS 329 Cb 0.11 -0.54 -0.12 0.00 1.12 0.00 0.00 29.99 30.57 3jws n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3jws s ILE 330 N -3.28 -0.01 -0.21 1.59 2.07 -1.18 -5.14 121.20 115.05 3jws s ILE 330 Ca -0.08 0.02 -0.08 0.00 -1.41 0.00 0.00 60.65 59.11 3jws s ILE 330 Cb 0.12 -0.40 -0.04 0.00 0.13 0.00 0.00 42.46 42.27 3jws s ILE 330 CO 0.84 0.01 0.08 0.00 -1.91 0.00 0.00 174.94 173.96 3jws n MET 332 N 3.96 2.42 0.25 0.00 2.81 -1.26 -4.76 117.12 120.54 3jws n MET 332 Ca -0.16 -3.00 0.18 0.00 -1.81 0.00 0.00 57.70 52.90 3jws n MET 332 Cb 0.52 -1.85 0.84 0.00 -0.71 0.00 0.00 33.22 32.01 3jws n MET 332 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3jws h GLY 333 N 1.41 0.00 -1.65 3.03 0.00 -1.93 -1.22 103.07 102.70 3jws h GLY 333 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 3jws h GLY 333 CO 0.35 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.75 3jws n SER 334 N -3.27 2.89 -4.71 0.19 3.41 -1.26 -4.86 113.62 106.01 3jws n SER 334 Ca 0.01 -1.85 -0.42 0.00 -0.26 0.00 0.00 58.87 56.35 3jws n SER 334 Cb 0.41 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 3jws n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3jws s ILE 335 N -1.23 4.09 0.16 -1.33 -1.09 -0.46 -4.96 121.20 116.38 3jws s ILE 335 Ca 0.27 1.48 -0.12 0.00 -2.23 0.00 0.00 60.65 60.06 3jws s ILE 335 Cb 0.16 -3.95 0.04 0.00 -1.58 0.00 0.00 42.46 37.13 3jws s ILE 335 CO 0.23 0.08 1.65 0.24 -1.23 0.00 0.00 174.94 175.91 3jws h MET 336 N 7.01 0.88 -3.08 2.79 2.86 -1.92 -3.36 114.93 120.11 3jws h MET 336 Ca -0.40 -0.23 -0.62 0.00 -2.06 0.00 0.00 59.70 56.39 3jws h MET 336 Cb 1.20 -0.11 -0.41 0.00 0.06 0.00 0.00 31.60 32.34 3jws h MET 336 CO 0.83 0.85 -0.66 -0.51 1.06 0.00 0.00 176.91 178.48 3jws s LEU 337 N -9.54 3.92 0.11 1.22 1.43 -1.26 -5.16 118.68 109.40 3jws s LEU 337 Ca -0.13 -3.29 -0.07 0.00 -1.03 0.00 0.00 54.13 49.61 3jws s LEU 337 Cb 0.12 -1.40 -0.14 0.00 0.03 0.00 0.00 46.19 44.80 3jws s LEU 337 CO 0.81 -0.17 1.27 1.55 0.23 0.00 0.00 176.35 180.04 3jws h PRO 338 N 6.01 0.51 0.00 1.29 0.14 -1.89 -3.53 132.00 134.53 3jws h PRO 338 Ca 0.06 -0.55 0.00 0.00 0.14 0.00 0.00 66.00 65.65 3jws h PRO 338 Cb 0.84 0.15 0.00 0.00 0.14 0.00 0.00 31.00 32.14 3jws h PRO 338 CO 0.63 1.18 0.00 2.41 0.14 0.00 0.00 178.00 182.36 3jws n THR 350 N -3.79 0.00 0.08 1.56 -1.04 -1.26 -4.90 114.28 104.93 3jws n THR 350 Ca -0.08 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.80 3jws n THR 350 Cb 0.85 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.27 3jws n THR 350 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 3jws h LYS 351 N 0.00 -0.18 -0.97 -2.82 1.57 -1.94 -3.19 116.57 109.04 3jws h LYS 351 Ca 0.00 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.92 3jws h LYS 351 Cb 0.00 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.27 3jws h LYS 351 CO 0.00 0.13 0.61 -0.44 -0.57 0.00 0.00 179.45 179.18 3jws h ASP 352 N -0.49 0.84 0.76 0.86 3.45 -1.97 -2.20 116.42 117.67 3jws h ASP 352 Ca -0.02 0.05 -0.10 0.00 0.43 0.00 0.00 57.03 57.39 3jws h ASP 352 Cb 0.39 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.03 3jws h ASP 352 CO 0.03 0.43 -0.47 1.56 -1.57 0.00 0.00 179.24 179.22 3jws h GLN 353 N 0.89 0.00 0.13 3.56 4.20 -2.02 -3.34 115.11 118.53 3jws h GLN 353 Ca 0.49 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.92 3jws h GLN 353 Cb 0.58 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.37 3jws h GLN 353 CO -0.26 0.47 -1.23 1.25 -0.67 0.00 0.00 178.83 178.39 3jws h LEU 354 N 0.00 0.50 -0.49 1.46 5.85 -1.38 -3.33 115.31 117.93 3jws h LEU 354 Ca -0.00 -0.51 -0.06 0.00 0.84 0.00 0.00 57.88 58.14 3jws h LEU 354 Cb 0.98 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 3jws h LEU 354 CO 0.06 1.39 0.05 0.15 -0.34 0.00 0.00 178.44 179.75 3jws h PHE 355 N 0.11 0.88 -0.90 1.25 3.57 -1.68 0.90 116.94 121.08 3jws h PHE 355 Ca -0.14 -0.13 -0.01 0.00 3.53 0.00 0.00 57.97 61.21 3jws h PHE 355 Cb 1.94 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 40.40 3jws h PHE 355 CO 0.07 0.82 0.52 -1.00 -2.23 0.00 0.00 178.31 176.49 3jws h PRO 356 N 0.69 1.23 -0.57 6.41 0.13 -1.78 0.11 132.00 138.22 3jws h PRO 356 Ca 0.14 -0.13 -0.02 0.00 -0.87 0.00 0.00 66.00 65.12 3jws h PRO 356 Cb 0.44 -0.25 -0.03 0.00 0.13 0.00 0.00 31.00 31.29 3jws h PRO 356 CO 0.01 0.88 0.26 -0.07 -0.23 0.00 0.00 178.00 178.86 3jws h LEU 357 N 1.24 0.75 -0.30 1.56 3.38 -1.59 0.12 115.31 120.48 3jws h LEU 357 Ca 0.32 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3jws h LEU 357 Cb -0.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3jws h LEU 357 CO -0.06 0.68 0.06 0.00 0.09 0.00 0.00 178.44 179.21 3jws h ALA 358 N 1.10 0.40 -0.25 1.53 0.00 -0.59 -2.47 119.26 118.98 3jws h ALA 358 Ca 0.19 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3jws h ALA 358 Cb 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3jws h ALA 358 CO -0.02 0.08 0.15 -0.22 0.00 0.00 0.00 179.25 179.24 3jws h LYS 359 N 0.32 0.35 -0.68 0.00 3.64 -0.48 -0.60 116.57 119.13 3jws h LYS 359 Ca 0.09 -0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.55 3jws h LYS 359 Cb 0.33 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.00 3jws h LYS 359 CO 0.00 0.29 0.27 1.49 -2.27 0.00 0.00 179.45 179.24 3jws h GLU 360 N 0.31 0.43 -0.19 1.90 4.81 -0.75 -0.89 114.58 120.20 3jws h GLU 360 Ca 0.09 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 3jws h GLU 360 Cb 0.04 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 3jws h GLU 360 CO -0.02 0.29 -0.12 0.35 -0.73 0.00 0.00 179.01 178.78 3jws h PHE 361 N 0.44 0.50 -0.65 0.92 3.57 -0.93 -2.41 116.94 118.37 3jws h PHE 361 Ca 0.35 -0.13 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 3jws h PHE 361 Cb 0.47 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 3jws h PHE 361 CO -0.16 0.74 0.13 -0.07 -2.23 0.00 0.00 178.31 176.72 3jws h LEU 362 N 0.11 0.99 -0.74 0.59 3.38 -0.88 0.08 115.31 118.83 3jws h LEU 362 Ca 0.04 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.81 3jws h LEU 362 Cb 0.63 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 3jws h LEU 362 CO 0.03 0.97 0.48 0.44 0.09 0.00 0.00 178.44 180.45 3jws h ASP 363 N 0.99 0.82 0.09 -0.43 3.32 -1.19 0.16 116.42 120.18 3jws h ASP 363 Ca 0.20 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3jws h ASP 363 Cb 0.38 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3jws h ASP 363 CO 0.01 0.58 -0.10 1.56 -1.72 0.00 0.00 179.24 179.57 3jws h GLN 364 N 0.97 -0.21 0.55 3.56 4.20 -0.84 -1.62 115.11 121.73 3jws h GLN 364 Ca 0.28 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.98 3jws h GLN 364 Cb -0.06 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.77 3jws h GLN 364 CO -0.08 -0.14 -0.28 -0.92 -0.67 0.00 0.00 178.83 176.74 3jws h TYR 365 N -0.22 -0.72 -0.41 2.96 3.20 -0.67 -0.43 116.97 120.69 3jws h TYR 365 Ca 0.01 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 3jws h TYR 365 Cb 0.21 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 3jws h TYR 365 CO -0.12 -0.44 0.13 1.88 -1.64 0.00 0.00 178.16 177.97 3jws h TYR 366 N -0.76 0.58 -0.80 -3.82 -1.99 -0.72 -0.50 116.97 108.97 3jws h TYR 366 Ca -0.07 -0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.61 3jws h TYR 366 Cb 0.59 -0.18 -0.04 0.00 2.00 0.00 0.00 36.73 39.10 3jws h TYR 366 CO -0.05 0.48 0.41 1.03 -0.00 0.00 0.00 178.16 180.03 3jws h SER 367 N 0.58 1.03 -0.47 3.88 0.87 -1.13 0.23 113.55 118.55 3jws h SER 367 Ca 0.14 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 3jws h SER 367 Cb 0.16 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 3jws h SER 367 CO -0.01 0.86 0.24 0.77 -0.53 0.00 0.00 176.83 178.15 3jws h SER 368 N 1.12 0.63 -0.46 6.23 4.64 0.59 -1.54 113.55 124.77 3jws h SER 368 Ca 0.28 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3jws h SER 368 Cb 0.08 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3jws h SER 368 CO -0.04 0.55 0.00 2.30 -0.87 0.00 0.00 176.83 178.77 3jws n ILE 369 N -4.38 1.07 -3.69 0.95 -5.35 -0.98 -4.94 119.36 102.04 3jws n ILE 369 Ca 0.04 -0.75 -0.24 0.00 -0.27 0.00 0.00 62.75 61.53 3jws n ILE 369 Cb 0.13 0.10 0.05 0.00 -1.74 0.00 0.00 39.64 38.18 3jws n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3jws n LYS 370 N 0.77 -6.33 -1.09 6.28 5.02 -0.58 -4.92 118.16 117.30 3jws n LYS 370 Ca 0.17 0.72 0.05 0.00 -2.02 0.00 0.00 58.31 57.23 3jws n LYS 370 Cb 0.58 -5.61 0.10 0.00 -0.02 0.00 0.00 35.03 30.08 3jws n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3jws n ARG 371 N -4.60 0.66 -1.69 1.97 1.74 0.79 -5.02 116.66 110.53 3jws n ARG 371 Ca -0.10 -2.52 -0.42 0.00 -0.77 0.00 0.00 57.85 54.04 3jws n ARG 371 Cb 0.60 -0.69 -0.03 0.00 -1.02 0.00 0.00 32.46 31.31 3jws n ARG 371 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3jws s PHE 372 N -1.36 1.95 -0.00 -1.55 5.36 -1.09 -2.08 117.98 119.21 3jws s PHE 372 Ca 0.35 -0.14 0.00 0.00 -0.96 0.00 0.00 56.93 56.18 3jws s PHE 372 Cb 0.37 -4.21 0.00 0.00 -0.34 0.00 0.00 43.02 38.84 3jws s PHE 372 CO -0.12 -5.09 0.00 0.41 -1.46 0.00 0.00 175.22 168.95 3jws n GLY 373 N 4.32 0.48 3.88 13.12 0.00 -1.26 -5.00 105.19 120.73 3jws n GLY 373 Ca 0.18 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3jws n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jws s SER 374 N -2.02 2.69 0.05 1.61 1.04 -0.88 -4.83 113.70 111.36 3jws s SER 374 Ca 0.00 0.30 -0.22 0.00 0.48 0.00 0.00 55.95 56.51 3jws s SER 374 Cb 0.00 -0.36 -0.14 0.00 0.10 0.00 0.00 66.02 65.63 3jws s SER 374 CO 0.00 -3.00 1.49 0.50 0.98 0.00 0.00 173.24 173.21 3jws h LYS 375 N -1.83 0.19 -0.67 4.02 3.64 -1.96 -1.88 116.57 118.08 3jws h LYS 375 Ca -0.44 -0.06 0.12 0.00 -1.27 0.00 0.00 60.65 59.00 3jws h LYS 375 Cb 1.24 -0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.95 3jws h LYS 375 CO 0.36 0.42 0.21 0.00 -2.27 0.00 0.00 179.45 178.18 3jws h ALA 376 N 0.76 0.87 0.99 5.00 0.00 -1.94 -0.83 119.26 124.12 3jws h ALA 376 Ca 0.03 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3jws h ALA 376 Cb 0.33 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.26 3jws h ALA 376 CO 0.00 -0.25 -0.48 1.25 0.00 0.00 0.00 179.25 179.78 3jws h HIS 377 N 0.36 -1.24 -0.91 0.00 -0.00 -1.77 -0.13 115.15 111.46 3jws h HIS 377 Ca 0.36 -0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.76 3jws h HIS 377 Cb 0.53 0.41 -0.06 0.00 -0.00 0.00 0.00 27.41 28.29 3jws h HIS 377 CO -0.21 -0.77 0.59 0.52 -0.00 0.00 0.00 177.93 178.07 3jws h MET 378 N -1.34 1.02 -0.18 5.26 2.86 -1.27 -0.99 114.93 120.29 3jws h MET 378 Ca -0.14 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.33 3jws h MET 378 Cb 1.02 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.44 3jws h MET 378 CO 0.22 0.67 -0.36 -0.44 1.06 0.00 0.00 176.91 178.06 3jws h ASP 379 N 1.05 0.40 -0.27 1.22 3.45 -1.11 -1.57 116.42 119.59 3jws h ASP 379 Ca 0.39 -0.16 -0.08 0.00 0.43 0.00 0.00 57.03 57.61 3jws h ASP 379 Cb 0.18 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 38.83 3jws h ASP 379 CO -0.14 0.74 -0.15 -0.09 -1.57 0.00 0.00 179.24 178.03 3jws h ARG 380 N 0.33 0.58 -0.65 3.56 9.65 -0.28 -2.12 114.38 125.44 3jws h ARG 380 Ca 0.04 -0.26 -0.03 0.00 -1.10 0.00 0.00 59.98 58.63 3jws h ARG 380 Cb 0.80 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.33 3jws h ARG 380 CO 0.06 0.83 0.29 1.25 2.80 0.00 0.00 179.97 185.21 3jws h LEU 381 N 0.32 0.85 -0.37 3.80 5.85 -1.01 -0.89 115.31 123.87 3jws h LEU 381 Ca 0.06 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.55 3jws h LEU 381 Cb 0.67 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3jws h LEU 381 CO 0.04 0.74 -0.25 -0.08 -0.34 0.00 0.00 178.44 178.55 3jws h GLU 382 N 0.93 0.83 -0.65 1.25 4.57 -1.29 -0.89 114.58 119.33 3jws h GLU 382 Ca 0.23 -0.39 -0.00 0.00 -1.18 0.00 0.00 59.36 58.01 3jws h GLU 382 Cb 0.13 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 3jws h GLU 382 CO -0.03 1.03 0.39 1.49 -1.18 0.00 0.00 179.01 180.72 3jws h GLU 383 N 0.62 0.88 -0.31 1.92 4.81 -0.91 -0.96 114.58 120.63 3jws h GLU 383 Ca 0.07 -0.08 -0.09 0.00 -0.13 0.00 0.00 59.36 59.13 3jws h GLU 383 Cb 0.82 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 3jws h GLU 383 CO 0.07 0.63 -0.16 0.28 -0.73 0.00 0.00 179.01 179.10 3jws h VAL 384 N 0.88 1.29 -0.72 0.32 2.07 -1.17 -2.28 116.25 116.64 3jws h VAL 384 Ca 0.23 -1.27 0.09 0.00 0.82 0.00 0.00 66.70 66.57 3jws h VAL 384 Cb -0.03 1.46 -0.07 0.00 -1.52 0.00 0.00 31.29 31.14 3jws h VAL 384 CO -0.04 0.41 0.37 -1.13 0.02 0.00 0.00 177.57 177.19 3jws h ASN 385 N 0.41 0.49 -0.36 0.57 -0.00 -0.95 -1.06 115.58 114.67 3jws h ASN 385 Ca 0.07 0.06 -0.13 0.00 -0.00 0.00 0.00 56.30 56.29 3jws h ASN 385 Cb 0.69 -0.03 -0.01 0.00 -0.00 0.00 0.00 38.32 38.97 3jws h ASN 385 CO 0.05 0.28 -0.26 0.11 -0.00 0.00 0.00 177.43 177.60 3jws h LYS 386 N 0.62 0.87 -0.46 6.67 1.57 -1.12 -1.13 116.57 123.60 3jws h LYS 386 Ca 0.35 -0.39 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 3jws h LYS 386 Cb 0.36 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3jws h LYS 386 CO -0.26 1.03 -0.21 1.49 -0.57 0.00 0.00 179.45 180.93 3jws h GLU 387 N 0.75 0.95 -0.21 3.15 4.81 -1.14 -1.43 114.58 121.46 3jws h GLU 387 Ca 0.09 -0.41 -0.02 0.00 -0.13 0.00 0.00 59.36 58.89 3jws h GLU 387 Cb 0.82 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 3jws h GLU 387 CO 0.07 1.08 0.06 0.82 -0.73 0.00 0.00 179.01 180.31 3jws h ILE 388 N 0.80 1.20 -0.40 2.32 2.04 -1.11 0.36 117.51 122.71 3jws h ILE 388 Ca 0.10 -0.62 0.09 0.00 1.00 0.00 0.00 64.86 65.43 3jws h ILE 388 Cb 0.78 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 3jws h ILE 388 CO 0.06 0.20 0.28 -0.33 0.00 0.00 0.00 178.15 178.36 3jws h GLU 389 N 0.16 0.16 0.00 2.37 4.39 -1.11 -1.83 114.58 118.71 3jws h GLU 389 Ca 0.07 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.76 3jws h GLU 389 Cb 0.25 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3jws h GLU 389 CO -0.00 0.11 -0.54 0.45 -1.16 0.00 0.00 179.01 177.87 3jws n SER 390 N -4.46 1.79 0.01 1.42 2.88 -0.55 -4.72 113.62 109.99 3jws n SER 390 Ca 0.06 0.61 0.11 0.00 -1.33 0.00 0.00 58.87 58.32 3jws n SER 390 Cb 0.36 -0.86 -0.01 0.00 -0.75 0.00 0.00 64.21 62.95 3jws n SER 390 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3jws n THR 391 N -4.57 0.04 -0.09 2.46 -2.24 0.13 -4.96 114.28 105.05 3jws n THR 391 Ca -0.07 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3jws n THR 391 Cb 0.28 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 3jws n THR 391 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3jws n SER 392 N -1.67 0.00 -1.25 3.42 3.41 -0.69 -4.98 113.62 111.86 3jws n SER 392 Ca 0.03 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.62 3jws n SER 392 Cb 0.37 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.32 3jws n SER 392 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3jws n THR 393 N -2.00 0.00 -4.00 6.66 5.66 -1.26 -4.69 114.28 114.66 3jws n THR 393 Ca 0.00 -0.27 -0.11 0.00 -3.05 0.00 0.00 64.05 60.62 3jws n THR 393 Cb 0.00 0.14 -0.04 0.00 -1.55 0.00 0.00 70.33 68.88 3jws n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3jws s TYR 394 N -2.45 0.55 -0.07 1.09 -0.85 -1.26 -3.04 117.35 111.32 3jws s TYR 394 Ca 0.04 -0.92 0.04 0.00 -0.52 0.00 0.00 57.07 55.72 3jws s TYR 394 Cb 0.00 0.21 -0.01 0.00 0.38 0.00 0.00 41.96 42.54 3jws s TYR 394 CO 0.03 -1.14 -0.20 -0.65 -1.52 0.00 0.00 175.55 172.07 3jws s GLN 395 N -3.42 2.73 0.30 -3.49 -1.52 -1.26 -5.06 119.66 107.95 3jws s GLN 395 Ca 0.24 -0.81 -0.27 0.00 -1.95 0.00 0.00 55.36 52.57 3jws s GLN 395 Cb -0.01 -2.32 -0.09 0.00 -0.22 0.00 0.00 33.01 30.36 3jws s GLN 395 CO 0.13 0.40 0.97 -0.51 -0.25 0.00 0.00 175.29 176.03 3jws s LEU 396 N -0.18 4.43 0.70 2.90 1.43 -1.26 -5.06 118.68 121.65 3jws s LEU 396 Ca -0.02 1.93 -0.14 0.00 -1.03 0.00 0.00 54.13 54.88 3jws s LEU 396 Cb -0.14 -3.88 0.02 0.00 0.03 0.00 0.00 46.19 42.23 3jws s LEU 396 CO 0.03 -0.05 1.12 -0.54 0.23 0.00 0.00 176.35 177.14 3jws s LYS 397 N -1.78 2.53 0.23 1.70 -0.14 -1.26 -4.83 119.74 116.19 3jws s LYS 397 Ca 0.48 1.40 -0.06 0.00 -1.36 0.00 0.00 55.97 56.43 3jws s LYS 397 Cb -0.22 -1.91 0.36 0.00 -1.68 0.00 0.00 37.83 34.37 3jws s LYS 397 CO 0.28 -1.46 1.76 -0.44 -0.76 0.00 0.00 175.35 174.73 3jws h ASP 398 N -0.32 0.39 -0.88 2.83 3.32 -1.99 -0.27 116.42 119.50 3jws h ASP 398 Ca -0.46 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 3jws h ASP 398 Cb 1.25 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.78 3jws h ASP 398 CO 0.52 0.21 0.50 0.71 -1.72 0.00 0.00 179.24 179.46 3jws h THR 399 N 0.54 1.25 -0.40 0.35 1.35 -2.00 -1.69 112.91 112.32 3jws h THR 399 Ca 0.36 -0.59 -0.14 0.00 -0.55 0.00 0.00 66.41 65.49 3jws h THR 399 Cb 0.44 0.04 -0.01 0.00 -1.73 0.00 0.00 68.15 66.89 3jws h THR 399 CO -0.31 0.27 -0.31 -0.33 -0.25 0.00 0.00 175.52 174.60 3jws h GLU 400 N 1.23 0.92 -0.53 4.72 5.08 -1.65 -1.60 114.58 122.74 3jws h GLU 400 Ca 0.31 -0.45 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3jws h GLU 400 Cb -0.00 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3jws h GLU 400 CO -0.05 1.10 0.33 1.25 -1.00 0.00 0.00 179.01 180.64 3jws h LEU 401 N 0.74 0.63 -0.36 1.33 5.85 -0.81 0.16 115.31 122.86 3jws h LEU 401 Ca 0.08 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 3jws h LEU 401 Cb 0.89 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 3jws h LEU 401 CO 0.08 0.49 -0.05 0.40 -0.34 0.00 0.00 178.44 179.02 3jws h ILE 402 N 0.72 1.27 -0.27 4.05 2.04 -1.25 -1.51 117.51 122.56 3jws h ILE 402 Ca 0.19 -1.09 0.02 0.00 1.00 0.00 0.00 64.86 64.98 3jws h ILE 402 Cb -0.03 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3jws h ILE 402 CO -0.04 0.36 0.13 0.22 0.00 0.00 0.00 178.15 178.82 3jws h TYR 403 N 0.47 0.24 -0.52 1.37 3.20 -1.18 -2.01 116.97 118.54 3jws h TYR 403 Ca 0.09 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.93 3jws h TYR 403 Cb 0.55 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 3jws h TYR 403 CO 0.05 0.13 0.16 0.78 -1.64 0.00 0.00 178.16 177.64 3jws h GLY 404 N 0.27 0.87 0.94 1.82 0.00 -0.55 -0.66 103.07 105.77 3jws h GLY 404 Ca 0.11 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 3jws h GLY 404 CO -0.08 0.49 0.16 0.00 0.00 0.00 0.00 176.54 177.11 3jws h ALA 405 N 1.02 0.46 -0.41 3.60 0.00 -1.26 -0.42 119.26 122.25 3jws h ALA 405 Ca 0.17 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3jws h ALA 405 Cb 0.28 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3jws h ALA 405 CO -0.00 0.03 -0.04 0.87 0.00 0.00 0.00 179.25 180.10 3jws h LYS 406 N 0.44 0.69 -0.01 0.00 1.57 -1.17 -2.65 116.57 115.43 3jws h LYS 406 Ca 0.12 -0.19 -0.19 0.00 -1.87 0.00 0.00 60.65 58.53 3jws h LYS 406 Cb 0.14 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3jws h LYS 406 CO -0.01 0.73 -0.82 0.45 -0.57 0.00 0.00 179.45 179.23 3jws h HIS 407 N 0.64 0.29 -0.56 -1.35 3.86 -0.96 -0.89 115.15 116.18 3jws h HIS 407 Ca 0.12 -0.15 0.01 0.00 -1.16 0.00 0.00 60.37 59.19 3jws h HIS 407 Cb 0.46 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.87 3jws h HIS 407 CO 0.02 0.93 0.37 0.00 0.86 0.00 0.00 177.93 180.11 3jws h ALA 408 N 1.02 1.62 0.02 2.45 0.00 -0.86 0.16 119.26 123.67 3jws h ALA 408 Ca -0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3jws h ALA 408 Cb 1.43 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3jws h ALA 408 CO 0.13 0.35 -0.01 2.35 0.00 0.00 0.00 179.25 182.07 3jws h TRP 409 N 0.74 -0.03 -1.03 0.00 7.01 -1.30 -2.72 115.95 118.62 3jws h TRP 409 Ca 0.21 -0.00 0.27 0.00 2.11 0.00 0.00 58.89 61.47 3jws h TRP 409 Cb -0.07 0.01 -0.12 0.00 -2.10 0.00 0.00 29.16 26.88 3jws h TRP 409 CO -0.00 0.51 0.63 -0.09 -2.79 0.00 0.00 178.44 176.70 3jws h ARG 410 N -0.59 0.46 -0.01 2.65 2.43 -0.74 -0.67 114.38 117.91 3jws h ARG 410 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3jws h ARG 410 Cb 0.55 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3jws h ARG 410 CO 0.01 0.31 -0.06 0.09 -1.51 0.00 0.00 179.97 178.81 3jws n ASN 411 N -4.80 1.17 -4.55 -3.80 3.02 0.54 -4.83 115.26 102.01 3jws n ASN 411 Ca 0.27 -1.26 -0.37 0.00 -0.03 0.00 0.00 54.58 53.20 3jws n ASN 411 Cb 0.84 0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.99 3jws n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3jws s ALA 412 N -2.13 2.26 0.06 5.41 0.00 -0.26 -4.69 121.76 122.41 3jws s ALA 412 Ca 0.36 -1.22 0.33 0.00 0.00 0.00 0.00 51.96 51.42 3jws s ALA 412 Cb 0.21 -4.38 1.45 0.00 0.00 0.00 0.00 23.12 20.40 3jws s ALA 412 CO 0.38 -3.92 1.98 0.66 0.00 0.00 0.00 175.76 174.86 3jws h SER 413 N 12.30 0.00 -0.10 0.00 4.64 -1.88 -1.58 113.55 126.94 3jws h SER 413 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3jws h SER 413 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3jws h SER 413 CO 1.26 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.76 3jws n ARG 414 N -2.88 1.68 -3.57 4.77 1.74 -1.26 0.02 116.66 117.16 3jws n ARG 414 Ca 0.00 -1.01 -0.40 0.00 -0.77 0.00 0.00 57.85 55.67 3jws n ARG 414 Cb 0.24 -1.43 -0.11 0.00 -1.02 0.00 0.00 32.46 30.14 3jws n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jws h VAL 416 N 5.56 0.00 -0.69 0.00 3.04 -1.89 -3.32 116.25 118.95 3jws h VAL 416 Ca -0.31 -0.43 -0.24 0.00 -1.01 0.00 0.00 66.70 64.71 3jws h VAL 416 Cb 1.15 1.33 -0.14 0.00 -2.01 0.00 0.00 31.29 31.62 3jws h VAL 416 CO 0.63 0.00 0.30 0.61 -1.01 0.00 0.00 177.57 178.10 3jws n GLY 417 N 0.72 3.51 0.00 3.17 0.00 -1.26 -4.48 105.19 106.84 3jws n GLY 417 Ca 0.04 -0.87 0.10 0.00 0.00 0.00 0.00 46.02 45.29 3jws n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jws n ARG 418 N -0.23 0.18 0.26 1.61 1.74 -1.25 -2.76 116.66 116.21 3jws n ARG 418 Ca 0.39 0.11 0.18 0.00 -0.77 0.00 0.00 57.85 57.75 3jws n ARG 418 Cb 1.30 -1.50 0.91 0.00 -1.02 0.00 0.00 32.46 32.15 3jws n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3jws h ILE 419 N 0.00 0.25 -0.15 0.55 2.10 -1.89 0.98 117.51 119.35 3jws h ILE 419 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3jws h ILE 419 Cb 0.26 0.82 0.00 0.00 -1.09 0.00 0.00 36.82 36.82 3jws h ILE 419 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 3jws n GLN 420 N -3.41 1.74 -0.05 2.19 1.13 -1.11 -4.65 117.38 113.21 3jws n GLN 420 Ca -0.00 -1.11 0.13 0.00 -1.94 0.00 0.00 57.00 54.08 3jws n GLN 420 Cb 0.30 -1.41 0.54 0.00 0.11 0.00 0.00 30.24 29.79 3jws n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3jws h TRP 421 N 2.29 0.33 -0.00 1.08 5.08 -1.03 -0.67 115.95 123.03 3jws h TRP 421 Ca 0.00 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.98 3jws h TRP 421 Cb 0.50 -0.11 0.00 0.00 -3.00 0.00 0.00 29.16 26.55 3jws h TRP 421 CO 0.10 0.15 -0.12 -1.13 -1.28 0.00 0.00 178.44 176.16 3jws n SER 422 N -4.46 0.34 -0.65 0.11 3.41 -1.26 -3.86 113.62 107.25 3jws n SER 422 Ca 0.09 -0.33 0.13 0.00 -0.26 0.00 0.00 58.87 58.51 3jws n SER 422 Cb 0.41 -0.13 0.38 0.00 -0.26 0.00 0.00 64.21 64.61 3jws n SER 422 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3jws n LYS 423 N -1.14 1.90 -1.66 4.33 5.02 -0.26 -4.97 118.16 121.39 3jws n LYS 423 Ca 0.12 -1.31 -0.48 0.00 -2.02 0.00 0.00 58.31 54.62 3jws n LYS 423 Cb 0.29 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.78 3jws n LYS 423 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3jws n LEU 424 N 0.58 2.86 -4.66 -0.35 7.94 -1.25 -4.82 117.00 117.30 3jws n LEU 424 Ca 0.17 1.06 -0.40 0.00 -1.11 0.00 0.00 56.01 55.73 3jws n LEU 424 Cb 0.43 -1.35 -0.05 0.00 0.53 0.00 0.00 43.42 42.98 3jws n LEU 424 CO 0.16 -0.39 0.44 -1.58 -1.11 0.00 0.00 177.39 174.91 3jws s GLN 425 N 1.70 4.22 -0.25 1.96 2.00 -0.75 -4.99 119.66 123.55 3jws s GLN 425 Ca 0.84 0.70 -0.07 0.00 -2.00 0.00 0.00 55.36 54.84 3jws s GLN 425 Cb -0.76 -3.59 -0.02 0.00 0.80 0.00 0.00 33.01 29.44 3jws s GLN 425 CO 0.44 -0.29 0.05 0.08 -0.50 0.00 0.00 175.29 175.07 3jws s VAL 426 N 2.07 4.09 -0.34 1.34 1.01 -1.26 -1.39 120.40 125.92 3jws s VAL 426 Ca 0.31 -0.27 -0.12 0.00 0.00 0.00 0.00 61.98 61.90 3jws s VAL 426 Cb -0.16 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 3jws s VAL 426 CO 0.10 0.34 0.22 -0.36 0.00 0.00 0.00 175.10 175.40 3jws s PHE 427 N 1.58 3.22 -0.51 5.22 0.08 0.54 -4.99 117.98 123.12 3jws s PHE 427 Ca 0.06 -0.38 -0.26 0.00 0.12 0.00 0.00 56.93 56.47 3jws s PHE 427 Cb -0.15 -2.45 0.03 0.00 -0.57 0.00 0.00 43.02 39.89 3jws s PHE 427 CO 0.02 -0.42 1.00 0.34 -0.10 0.00 0.00 175.22 176.07 3jws s ASP 428 N 1.68 6.46 -0.26 1.36 3.68 -1.26 -0.97 116.67 127.36 3jws s ASP 428 Ca 0.05 0.03 0.11 0.00 2.13 0.00 0.00 52.55 54.88 3jws s ASP 428 Cb -0.17 -2.48 0.51 0.00 -1.45 0.00 0.00 42.92 39.33 3jws s ASP 428 CO 0.09 -1.20 1.46 0.00 0.13 0.00 0.00 175.17 175.65 3jws n ALA 429 N 7.56 3.94 0.41 3.66 0.00 0.00 -4.66 120.51 131.42 3jws n ALA 429 Ca 0.06 -2.88 0.10 0.00 0.00 0.00 0.00 53.44 50.72 3jws n ALA 429 Cb 0.48 -0.75 0.42 0.00 0.00 0.00 0.00 19.45 19.60 3jws n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3jws n ARG 430 N -0.96 0.12 0.00 0.00 1.74 -1.07 -1.83 116.66 114.66 3jws n ARG 430 Ca 0.31 0.38 0.15 0.00 -0.77 0.00 0.00 57.85 57.91 3jws n ARG 430 Cb 1.01 -1.74 0.68 0.00 -1.02 0.00 0.00 32.46 31.39 3jws n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3jws n ASP 431 N -1.97 0.92 -4.77 0.55 3.85 -1.26 -4.49 116.55 109.37 3jws n ASP 431 Ca 0.02 -1.28 -0.40 0.00 -0.71 0.00 0.00 54.79 52.43 3jws n ASP 431 Cb 0.19 -0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 39.95 3jws n ASP 431 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3jws n THR 433 N 0.40 0.00 -4.20 0.00 -2.24 -1.26 -4.79 114.28 102.18 3jws n THR 433 Ca 0.02 -0.18 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 3jws n THR 433 Cb 0.44 0.70 -0.10 0.00 -2.10 0.00 0.00 70.33 69.27 3jws n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3jws s THR 434 N -0.93 0.16 0.26 4.28 -4.23 -1.26 -4.70 115.64 109.21 3jws s THR 434 Ca 0.00 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 58.56 3jws s THR 434 Cb 0.00 -2.36 0.03 0.00 1.34 0.00 0.00 72.50 71.51 3jws s THR 434 CO 0.00 -0.17 1.66 0.00 -0.54 0.00 0.00 174.62 175.57 3jws h ALA 435 N 2.66 0.99 -0.73 3.99 0.00 -1.90 -0.35 119.26 123.93 3jws h ALA 435 Ca -0.36 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.12 3jws h ALA 435 Cb 1.23 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3jws h ALA 435 CO 0.57 0.61 0.36 0.45 0.00 0.00 0.00 179.25 181.24 3jws h HIS 436 N 0.38 1.02 -0.47 0.00 -0.00 -1.97 0.58 115.15 114.70 3jws h HIS 436 Ca 0.04 -0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.30 3jws h HIS 436 Cb 0.81 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 27.88 3jws h HIS 436 CO 0.03 0.73 -0.02 0.78 -0.00 0.00 0.00 177.93 179.45 3jws h GLY 437 N 1.08 0.90 0.97 2.45 0.00 -1.77 -1.34 103.07 105.38 3jws h GLY 437 Ca 0.25 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 3jws h GLY 437 CO -0.04 0.62 0.20 -0.33 0.00 0.00 0.00 176.54 177.00 3jws h MET 438 N 0.69 0.48 -0.54 4.80 0.00 -0.88 -1.56 114.93 117.91 3jws h MET 438 Ca 0.13 -0.05 0.08 0.00 0.00 0.00 0.00 59.70 59.86 3jws h MET 438 Cb 0.53 -0.10 -0.06 0.00 0.00 0.00 0.00 31.60 31.97 3jws h MET 438 CO 0.03 0.37 0.19 0.35 0.00 0.00 0.00 176.91 177.85 3jws h PHE 439 N 0.45 0.34 0.19 -0.22 3.04 -0.67 0.41 116.94 120.47 3jws h PHE 439 Ca 0.12 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.10 3jws h PHE 439 Cb 0.03 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.46 3jws h PHE 439 CO -0.03 0.10 -0.15 -0.97 -2.02 0.00 0.00 178.31 175.23 3jws h ASN 440 N 0.37 -0.38 -0.92 0.41 -1.24 -1.02 -0.05 115.58 112.75 3jws h ASN 440 Ca 0.27 0.03 0.13 0.00 0.71 0.00 0.00 56.30 57.44 3jws h ASN 440 Cb 0.31 0.12 -0.09 0.00 0.73 0.00 0.00 38.32 39.39 3jws h ASN 440 CO -0.27 -0.23 0.54 1.88 -1.29 0.00 0.00 177.43 178.06 3jws h TYR 441 N -0.35 0.98 -0.12 0.67 -1.99 -0.98 -1.36 116.97 113.82 3jws h TYR 441 Ca -0.01 0.03 -0.18 0.00 2.00 0.00 0.00 58.73 60.57 3jws h TYR 441 Cb 0.31 -0.30 0.01 0.00 2.00 0.00 0.00 36.73 38.75 3jws h TYR 441 CO -0.11 0.34 -0.63 0.82 -0.00 0.00 0.00 178.16 178.57 3jws h ILE 442 N 0.83 1.32 -0.55 -2.88 2.04 -0.65 0.20 117.51 117.83 3jws h ILE 442 Ca 0.47 -1.90 0.04 0.00 1.00 0.00 0.00 64.86 64.47 3jws h ILE 442 Cb 0.55 2.10 -0.04 0.00 -0.74 0.00 0.00 36.82 38.69 3jws h ILE 442 CO -0.30 0.59 0.31 0.00 0.00 0.00 0.00 178.15 178.75 3jws h ASN 444 N 0.60 0.90 0.07 0.00 2.35 -1.04 -1.11 115.58 117.35 3jws h ASN 444 Ca 0.23 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3jws h ASN 444 Cb 0.08 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 3jws h ASN 444 CO -0.13 0.68 -0.04 -0.74 -1.65 0.00 0.00 177.43 175.55 3jws h HIS 445 N 1.04 -0.12 -0.36 1.19 2.76 -0.49 -1.50 115.15 117.67 3jws h HIS 445 Ca 0.28 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.51 3jws h HIS 445 Cb -0.08 0.04 -0.06 0.00 1.55 0.00 0.00 27.41 28.86 3jws h HIS 445 CO -0.01 -0.07 -0.02 0.28 -1.30 0.00 0.00 177.93 176.81 3jws h VAL 446 N -0.11 0.72 -0.45 5.26 2.07 -0.31 0.26 116.25 123.68 3jws h VAL 446 Ca -0.01 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 3jws h VAL 446 Cb 0.10 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3jws h VAL 446 CO 0.01 0.01 0.03 0.50 0.02 0.00 0.00 177.57 178.14 3jws h LYS 447 N 0.08 0.77 -0.06 1.57 3.64 -1.16 -0.36 116.57 121.05 3jws h LYS 447 Ca 0.17 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3jws h LYS 447 Cb 0.25 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3jws h LYS 447 CO -0.31 0.82 0.03 -0.92 -2.27 0.00 0.00 179.45 176.80 3jws h TYR 448 N 0.62 0.08 -0.47 1.91 3.20 -0.88 -1.91 116.97 119.52 3jws h TYR 448 Ca 0.13 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.89 3jws h TYR 448 Cb 0.45 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 3jws h TYR 448 CO 0.03 0.14 -0.12 0.00 -1.64 0.00 0.00 178.16 176.57 3jws h ALA 449 N 0.93 0.89 0.08 1.82 0.00 -0.88 -3.25 119.26 118.85 3jws h ALA 449 Ca 0.02 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3jws h ALA 449 Cb 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3jws h ALA 449 CO -0.00 0.63 -0.04 1.15 0.00 0.00 0.00 179.25 180.99 3jws h THR 450 N 0.78 1.13 -6.23 0.00 2.02 -1.00 -0.38 112.91 109.24 3jws h THR 450 Ca 0.12 -0.79 -0.46 0.00 0.77 0.00 0.00 66.41 66.06 3jws h THR 450 Cb 0.64 1.64 -0.00 0.00 -1.74 0.00 0.00 68.15 68.68 3jws h THR 450 CO 0.04 0.19 -0.78 -3.20 0.37 0.00 0.00 175.52 172.15 3jws n ASN 451 N -4.97 -3.82 -2.57 4.18 5.15 -0.73 -0.97 115.26 111.53 3jws n ASN 451 Ca -0.08 -0.78 -0.17 0.00 -0.60 0.00 0.00 54.58 52.94 3jws n ASN 451 Cb 0.21 -3.98 -0.00 0.00 -0.53 0.00 0.00 39.78 35.48 3jws n ASN 451 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3jws n LYS 452 N -4.59 -2.45 0.00 1.20 5.02 -1.26 -1.90 118.16 114.18 3jws n LYS 452 Ca -0.06 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 3jws n LYS 452 Cb 0.57 -5.40 0.00 0.00 -0.02 0.00 0.00 35.03 30.18 3jws n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jws n GLY 453 N -0.98 1.98 3.40 0.72 0.00 -0.14 -4.94 105.19 105.23 3jws n GLY 453 Ca -0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.42 3jws n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3jws n ASN 454 N 0.00 5.32 -4.77 1.61 4.05 -0.80 -1.19 115.26 119.48 3jws n ASN 454 Ca 0.00 -3.01 -0.39 0.00 0.45 0.00 0.00 54.58 51.63 3jws n ASN 454 Cb 0.00 -1.51 -0.02 0.00 1.23 0.00 0.00 39.78 39.48 3jws n ASN 454 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3jws s LEU 455 N 0.70 4.27 -0.02 1.20 1.43 -1.24 -4.49 118.68 120.53 3jws s LEU 455 Ca 0.40 2.51 0.05 0.00 -1.03 0.00 0.00 54.13 56.06 3jws s LEU 455 Cb -0.04 -3.88 -0.01 0.00 0.03 0.00 0.00 46.19 42.29 3jws s LEU 455 CO -0.02 -0.67 -0.17 -0.13 0.23 0.00 0.00 176.35 175.59 3jws s ARG 456 N -2.12 1.51 0.30 1.70 0.52 -0.15 -5.00 118.95 115.72 3jws s ARG 456 Ca 0.55 -0.61 -0.28 0.00 -0.52 0.00 0.00 55.73 54.87 3jws s ARG 456 Cb -0.35 -1.41 -0.09 0.00 0.52 0.00 0.00 34.95 33.61 3jws s ARG 456 CO 0.45 0.33 0.98 -1.54 0.02 0.00 0.00 175.30 175.54 3jws s SER 457 N -0.27 7.36 0.03 0.23 1.04 -1.26 -4.45 113.70 116.38 3jws s SER 457 Ca 0.04 1.96 -0.16 0.00 0.48 0.00 0.00 55.95 58.26 3jws s SER 457 Cb -0.08 -2.60 0.03 0.00 0.10 0.00 0.00 66.02 63.47 3jws s SER 457 CO 0.00 -0.05 0.36 0.00 0.98 0.00 0.00 173.24 174.53 3jws s ALA 458 N -1.42 -0.86 -0.00 5.32 0.00 -0.80 -1.81 121.76 122.18 3jws s ALA 458 Ca 0.47 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.69 3jws s ALA 458 Cb -0.23 0.26 -0.00 0.00 0.00 0.00 0.00 23.12 23.14 3jws s ALA 458 CO 0.29 -0.39 -0.04 -1.50 0.00 0.00 0.00 175.76 174.12 3jws s ILE 459 N -2.18 0.32 -0.16 0.00 2.07 -0.49 -1.02 121.20 119.75 3jws s ILE 459 Ca -0.07 -0.17 -0.01 0.00 -1.41 0.00 0.00 60.65 58.99 3jws s ILE 459 Cb -0.02 -0.28 -0.01 0.00 0.13 0.00 0.00 42.46 42.29 3jws s ILE 459 CO -0.01 0.09 -0.12 -0.89 -1.91 0.00 0.00 174.94 172.11 3jws s THR 460 N -0.07 3.03 -0.31 4.00 2.01 -0.57 -0.34 115.64 123.39 3jws s THR 460 Ca 0.01 -0.65 -0.03 0.00 0.31 0.00 0.00 61.69 61.34 3jws s THR 460 Cb -0.02 -2.30 0.05 0.00 0.01 0.00 0.00 72.50 70.24 3jws s THR 460 CO -0.00 0.50 0.02 -0.63 -0.69 0.00 0.00 174.62 173.82 3jws s ILE 461 N 0.73 3.16 0.81 1.82 1.01 -0.15 -2.99 121.20 125.60 3jws s ILE 461 Ca -0.05 -1.33 -0.11 0.00 0.00 0.00 0.00 60.65 59.16 3jws s ILE 461 Cb -0.15 -2.81 0.11 0.00 0.01 0.00 0.00 42.46 39.61 3jws s ILE 461 CO 0.02 -0.13 1.15 -0.36 0.00 0.00 0.00 174.94 175.62 3jws s PHE 462 N 1.28 2.48 0.56 3.97 0.08 -0.50 -0.82 117.98 125.03 3jws s PHE 462 Ca -0.04 0.46 -0.21 0.00 0.12 0.00 0.00 56.93 57.26 3jws s PHE 462 Cb -0.20 -3.53 -0.04 0.00 -0.57 0.00 0.00 43.02 38.68 3jws s PHE 462 CO -0.00 -1.89 1.36 -2.14 -0.10 0.00 0.00 175.22 172.45 3jws s PRO 463 N -5.52 3.07 0.66 0.24 0.02 -1.26 -4.66 135.00 127.55 3jws s PRO 463 Ca 0.65 2.24 -0.14 0.00 0.02 0.00 0.00 61.00 63.77 3jws s PRO 463 Cb -0.09 -2.22 -0.00 0.00 0.02 0.00 0.00 34.50 32.22 3jws s PRO 463 CO 0.48 -1.25 1.08 1.14 -0.33 0.00 0.00 177.00 178.13 3jws s GLN 464 N -2.95 2.89 0.44 5.54 -2.07 -1.26 -4.60 119.66 117.64 3jws s GLN 464 Ca 0.73 1.24 -0.24 0.00 -1.82 0.00 0.00 55.36 55.27 3jws s GLN 464 Cb -0.41 -1.97 -0.09 0.00 -1.09 0.00 0.00 33.01 29.45 3jws s GLN 464 CO 0.48 -1.16 1.10 -2.13 -1.32 0.00 0.00 175.29 172.26 3jws n ARG 465 N -2.57 1.50 0.00 9.60 0.63 0.97 -4.94 116.66 121.85 3jws n ARG 465 Ca 0.09 0.54 0.00 0.00 -0.92 0.00 0.00 57.85 57.56 3jws n ARG 465 Cb 0.53 -2.18 0.00 0.00 0.45 0.00 0.00 32.46 31.25 3jws n ARG 465 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3jws n THR 466 N -0.55 0.00 0.90 5.15 -2.24 -1.26 -4.78 114.28 111.50 3jws n THR 466 Ca 0.09 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.00 3jws n THR 466 Cb 0.40 -0.07 0.41 0.00 -2.10 0.00 0.00 70.33 68.97 3jws n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3jws n ASP 467 N 0.00 0.36 0.00 3.42 5.75 -1.26 -4.94 116.55 119.88 3jws n ASP 467 Ca 0.00 0.20 0.00 0.00 -0.01 0.00 0.00 54.79 54.98 3jws n ASP 467 Cb 0.00 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 39.91 3jws n ASP 467 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3jws n GLY 468 N 1.46 0.72 0.73 6.12 0.00 -1.26 -4.88 105.19 108.07 3jws n GLY 468 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.15 3jws n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jws n LYS 469 N -2.47 2.05 -2.27 1.61 5.02 -1.26 -4.58 118.16 116.27 3jws n LYS 469 Ca 0.00 -1.85 -0.09 0.00 -2.02 0.00 0.00 58.31 54.35 3jws n LYS 469 Cb 0.00 -1.32 0.05 0.00 -0.02 0.00 0.00 35.03 33.74 3jws n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3jws n HIS 470 N 0.82 1.66 -2.21 2.13 8.25 -1.26 -4.29 115.22 120.32 3jws n HIS 470 Ca 0.12 -2.00 -0.41 0.00 -0.26 0.00 0.00 57.72 55.17 3jws n HIS 470 Cb 0.43 -0.27 -0.03 0.00 1.12 0.00 0.00 29.99 31.24 3jws n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3jws s ASP 471 N -3.55 6.89 -0.05 0.41 1.11 -1.26 -4.00 116.67 116.22 3jws s ASP 471 Ca 0.38 2.41 -0.23 0.00 0.18 0.00 0.00 52.55 55.28 3jws s ASP 471 Cb 0.36 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.70 3jws s ASP 471 CO -0.02 -0.53 0.70 -0.36 1.18 0.00 0.00 175.17 176.13 3jws s PHE 472 N 0.12 3.60 -0.03 4.23 0.40 -1.26 -1.58 117.98 123.45 3jws s PHE 472 Ca 0.57 1.27 -0.04 0.00 -0.60 0.00 0.00 56.93 58.12 3jws s PHE 472 Cb -0.37 -2.79 0.01 0.00 0.51 0.00 0.00 43.02 40.38 3jws s PHE 472 CO 0.38 0.13 0.10 1.03 0.70 0.00 0.00 175.22 177.56 3jws s ARG 473 N 0.63 0.18 -0.28 0.44 1.81 0.32 -3.33 118.95 118.72 3jws s ARG 473 Ca 0.37 0.04 -0.14 0.00 -1.72 0.00 0.00 55.73 54.28 3jws s ARG 473 Cb -0.18 0.08 -0.04 0.00 -0.45 0.00 0.00 34.95 34.36 3jws s ARG 473 CO 0.18 -0.03 0.31 0.08 -0.68 0.00 0.00 175.30 175.17 3jws s VAL 474 N -0.20 5.22 0.00 3.52 1.01 -1.26 -1.04 120.40 127.64 3jws s VAL 474 Ca -0.03 0.42 0.14 0.00 0.00 0.00 0.00 61.98 62.51 3jws s VAL 474 Cb -0.02 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.73 3jws s VAL 474 CO 0.00 0.18 1.49 -0.50 0.00 0.00 0.00 175.10 176.27 3jws h TRP 475 N 8.25 0.00 -4.05 5.22 4.06 -1.68 -3.41 115.95 124.34 3jws h TRP 475 Ca -0.33 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.07 3jws h TRP 475 Cb 1.17 0.00 0.14 0.00 -1.00 0.00 0.00 29.16 29.47 3jws h TRP 475 CO 0.76 0.58 0.61 -0.80 -3.56 0.00 0.00 178.44 176.03 3jws s ASN 476 N -6.53 5.24 0.05 -3.49 -0.87 -1.26 -4.92 114.94 103.16 3jws s ASN 476 Ca 0.02 2.77 -0.15 0.00 -1.57 0.00 0.00 52.86 53.93 3jws s ASN 476 Cb 0.09 -2.64 -0.25 0.00 -0.02 0.00 0.00 41.25 38.43 3jws s ASN 476 CO 0.75 -1.59 1.14 0.77 -2.57 0.00 0.00 177.10 175.59 3jws h SER 477 N 1.43 0.83 -3.29 -1.22 4.64 -1.91 -3.34 113.55 110.69 3jws h SER 477 Ca -0.51 -0.77 -0.48 0.00 -0.47 0.00 0.00 61.79 59.55 3jws h SER 477 Cb 1.30 -0.26 -0.16 0.00 -0.31 0.00 0.00 62.40 62.98 3jws h SER 477 CO 0.57 1.51 -0.75 -1.10 -0.87 0.00 0.00 176.83 176.19 3jws s GLN 478 N -3.17 1.32 0.22 4.77 -0.21 -1.26 -1.26 119.66 120.07 3jws s GLN 478 Ca -0.10 -1.52 -0.06 0.00 0.02 0.00 0.00 55.36 53.70 3jws s GLN 478 Cb 0.06 -1.22 0.21 0.00 1.00 0.00 0.00 33.01 33.05 3jws s GLN 478 CO 0.91 0.22 1.72 -0.07 -2.12 0.00 0.00 175.29 175.95 3jws h LEU 479 N 2.81 0.93 -7.90 2.90 3.38 -1.14 -3.40 115.31 112.89 3jws h LEU 479 Ca -0.40 -0.23 -0.65 0.00 0.09 0.00 0.00 57.88 56.70 3jws h LEU 479 Cb 1.22 -0.25 -0.36 0.00 0.09 0.00 0.00 40.66 41.36 3jws h LEU 479 CO 0.58 0.96 -0.82 -0.63 0.09 0.00 0.00 178.44 178.61 3jws s ILE 480 N -5.08 1.91 0.12 1.22 1.01 -1.26 -4.84 121.20 114.28 3jws s ILE 480 Ca -0.11 -1.13 -0.08 0.00 0.00 0.00 0.00 60.65 59.33 3jws s ILE 480 Cb 0.14 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 3jws s ILE 480 CO 0.83 0.25 0.20 -0.13 0.00 0.00 0.00 174.94 176.09 3jws s ARG 481 N 1.29 0.96 -0.06 2.79 0.52 -1.26 -4.87 118.95 118.32 3jws s ARG 481 Ca -0.01 -1.10 -0.09 0.00 -0.52 0.00 0.00 55.73 54.01 3jws s ARG 481 Cb -0.16 0.34 -0.05 0.00 0.52 0.00 0.00 34.95 35.60 3jws s ARG 481 CO -0.09 -0.32 0.24 0.71 0.02 0.00 0.00 175.30 175.86 3jws s TYR 482 N -3.92 3.63 0.71 -0.53 4.12 -1.26 -0.65 117.35 119.45 3jws s TYR 482 Ca 0.12 0.67 -0.16 0.00 0.02 0.00 0.00 57.07 57.72 3jws s TYR 482 Cb 0.05 -2.04 0.03 0.00 -1.52 0.00 0.00 41.96 38.47 3jws s TYR 482 CO -0.05 0.69 1.22 0.00 0.02 0.00 0.00 175.55 177.43 3jws s ALA 483 N -1.10 2.18 -0.05 3.71 0.00 0.05 -4.34 121.76 122.22 3jws s ALA 483 Ca 0.20 0.94 0.02 0.00 0.00 0.00 0.00 51.96 53.12 3jws s ALA 483 Cb -0.14 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 19.51 3jws s ALA 483 CO 0.09 -1.79 -0.09 0.20 0.00 0.00 0.00 175.76 174.17 3jws s GLY 484 N -1.90 0.62 -0.07 0.00 0.00 -1.22 -1.08 107.32 103.66 3jws s GLY 484 Ca 0.76 -0.29 0.03 0.00 0.00 0.00 0.00 44.72 45.22 3jws s GLY 484 CO 0.44 0.13 -0.15 -0.19 0.00 0.00 0.00 173.10 173.33 3jws s TYR 485 N 0.57 1.73 0.23 1.90 1.51 -0.40 -3.95 117.35 118.95 3jws s TYR 485 Ca -0.10 -0.66 -0.30 0.00 -1.01 0.00 0.00 57.07 55.00 3jws s TYR 485 Cb -0.13 -1.23 -0.09 0.00 -0.11 0.00 0.00 41.96 40.40 3jws s TYR 485 CO 0.02 -0.31 1.11 0.15 -1.11 0.00 0.00 175.55 175.40 3jws s LYS 486 N 0.59 4.61 0.17 -0.62 1.02 -1.26 -1.57 119.74 122.68 3jws s LYS 486 Ca -0.16 1.78 0.09 0.00 0.02 0.00 0.00 55.97 57.71 3jws s LYS 486 Cb -0.16 -3.23 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 3jws s LYS 486 CO 0.05 0.14 -0.14 -0.65 -0.92 0.00 0.00 175.35 173.83 3jws s GLN 487 N -0.94 1.91 0.30 1.68 -0.21 -0.96 -4.95 119.66 116.49 3jws s GLN 487 Ca 0.47 -1.29 0.04 0.00 0.02 0.00 0.00 55.36 54.60 3jws s GLN 487 Cb -0.31 -2.10 0.78 0.00 1.00 0.00 0.00 33.01 32.38 3jws s GLN 487 CO 0.38 0.44 1.64 -1.35 -2.12 0.00 0.00 175.29 174.28 3jws h PRO 488 N 3.14 0.20 -0.67 2.91 0.11 -1.97 0.25 132.00 135.97 3jws h PRO 488 Ca -0.47 -0.01 0.19 0.00 0.11 0.00 0.00 66.00 65.82 3jws h PRO 488 Cb 1.20 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3jws h PRO 488 CO 0.51 0.13 0.61 0.22 -0.21 0.00 0.00 178.00 179.26 3jws h ASP 489 N 0.20 0.00 0.00 -2.05 -0.00 -2.02 -3.45 116.42 109.10 3jws h ASP 489 Ca 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.62 3jws h ASP 489 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.56 3jws h ASP 489 CO -0.67 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.18 3jws n GLY 490 N -1.60 3.36 0.00 -0.78 0.00 0.89 -5.05 105.19 102.01 3jws n GLY 490 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3jws n GLY 490 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jws n SER 491 N 0.00 0.00 -4.02 1.61 3.41 -1.26 -4.76 113.62 108.60 3jws n SER 491 Ca 0.00 -0.81 -0.24 0.00 -0.26 0.00 0.00 58.87 57.56 3jws n SER 491 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 3jws n SER 491 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3jws s THR 492 N -0.37 1.09 -0.14 6.66 2.01 -1.26 -2.25 115.64 121.37 3jws s THR 492 Ca 0.00 -0.46 -0.14 0.00 0.31 0.00 0.00 61.69 61.40 3jws s THR 492 Cb 0.00 -0.99 -0.05 0.00 0.01 0.00 0.00 72.50 71.47 3jws s THR 492 CO 0.00 0.34 0.33 -0.22 -0.69 0.00 0.00 174.62 174.38 3jws s LEU 493 N 0.60 4.27 0.00 4.42 2.96 -0.61 -4.95 118.68 125.38 3jws s LEU 493 Ca -0.13 0.59 0.00 0.00 -0.22 0.00 0.00 54.13 54.38 3jws s LEU 493 Cb -0.15 -2.43 0.00 0.00 0.50 0.00 0.00 46.19 44.11 3jws s LEU 493 CO 0.03 0.11 0.00 0.61 -1.32 0.00 0.00 176.35 175.78 3jws n GLY 494 N 3.18 0.33 3.51 7.98 0.00 -1.26 -1.28 105.19 117.65 3jws n GLY 494 Ca -0.12 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 3jws n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jws s ASP 495 N -4.00 6.28 0.54 1.61 -1.08 -0.25 -4.77 116.67 115.00 3jws s ASP 495 Ca 0.00 -0.44 0.29 0.00 -0.52 0.00 0.00 52.55 51.88 3jws s ASP 495 Cb 0.00 -2.28 1.56 0.00 -1.46 0.00 0.00 42.92 40.74 3jws s ASP 495 CO 0.00 -0.70 2.12 -0.65 0.52 0.00 0.00 175.17 176.46 3jws h PRO 496 N 8.81 0.00 0.00 4.34 0.11 -1.80 -2.14 132.00 141.31 3jws h PRO 496 Ca -0.26 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.84 3jws h PRO 496 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3jws h PRO 496 CO 0.85 0.09 -0.05 0.00 -0.21 0.00 0.00 178.00 178.68 3jws h ALA 497 N 1.91 1.21 -0.46 -0.75 0.00 -1.93 -2.94 119.26 116.32 3jws h ALA 497 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3jws h ALA 497 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3jws h ALA 497 CO 0.01 0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.41 3jws n ASN 498 N -3.45 3.23 -0.08 0.00 3.02 -0.81 -4.58 115.26 112.59 3jws n ASN 498 Ca -0.02 -1.98 -0.07 0.00 -0.03 0.00 0.00 54.58 52.48 3jws n ASN 498 Cb 0.17 -0.30 -0.01 0.00 -0.61 0.00 0.00 39.78 39.02 3jws n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3jws h VAL 499 N 2.84 0.34 -0.33 2.41 2.07 -1.56 0.37 116.25 122.39 3jws h VAL 499 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3jws h VAL 499 Cb 0.81 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3jws h VAL 499 CO 0.00 0.00 0.21 -0.61 0.02 0.00 0.00 177.57 177.19 3jws h GLN 500 N -0.23 0.44 -0.48 1.57 4.15 -1.84 -1.88 115.11 116.84 3jws h GLN 500 Ca 0.16 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.48 3jws h GLN 500 Cb 0.48 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 3jws h GLN 500 CO -0.45 0.31 0.02 0.35 -1.93 0.00 0.00 178.83 177.13 3jws h PHE 501 N 0.44 0.91 -0.70 3.99 3.57 -1.75 -2.29 116.94 121.10 3jws h PHE 501 Ca 0.12 -0.15 0.03 0.00 3.53 0.00 0.00 57.97 61.51 3jws h PHE 501 Cb -0.03 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.43 3jws h PHE 501 CO -0.05 0.85 0.46 1.15 -2.23 0.00 0.00 178.31 178.50 3jws h THR 502 N 0.70 1.10 -0.00 4.41 2.02 0.04 -1.11 112.91 120.06 3jws h THR 502 Ca 0.14 -0.29 -0.17 0.00 0.77 0.00 0.00 66.41 66.86 3jws h THR 502 Cb 0.48 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.05 3jws h THR 502 CO 0.02 0.15 -0.80 -0.33 0.37 0.00 0.00 175.52 174.93 3jws h GLU 503 N 0.84 0.04 -0.33 6.66 5.08 -1.11 -1.87 114.58 123.89 3jws h GLU 503 Ca 0.28 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.50 3jws h GLU 503 Cb 0.07 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3jws h GLU 503 CO -0.08 0.82 -0.22 0.82 -1.00 0.00 0.00 179.01 179.35 3jws h ILE 504 N 0.02 1.27 -0.32 3.13 2.04 -0.77 0.18 117.51 123.07 3jws h ILE 504 Ca -0.01 -1.29 -0.03 0.00 1.00 0.00 0.00 64.86 64.52 3jws h ILE 504 Cb 1.42 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 38.74 3jws h ILE 504 CO 0.11 0.42 0.07 0.00 0.00 0.00 0.00 178.15 178.75 3jws h ILE 506 N 0.35 1.21 -0.62 0.00 2.04 -1.17 -0.77 117.51 118.56 3jws h ILE 506 Ca 0.10 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 3jws h ILE 506 Cb 0.32 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 3jws h ILE 506 CO 0.00 0.28 0.28 -0.61 0.00 0.00 0.00 178.15 178.10 3jws h GLN 507 N 0.61 0.88 0.00 2.37 4.15 -0.43 -2.89 115.11 119.81 3jws h GLN 507 Ca 0.13 -0.12 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3jws h GLN 507 Cb 0.32 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.85 3jws h GLN 507 CO 0.01 0.70 -0.13 1.96 -1.93 0.00 0.00 178.83 179.44 3jws h GLN 508 N 0.88 0.00 0.00 1.69 1.08 -0.43 -3.47 115.11 114.86 3jws h GLN 508 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 3jws h GLN 508 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 3jws h GLN 508 CO -0.02 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.27 3jws n GLY 509 N 1.23 -0.31 3.70 3.46 0.00 -0.62 -4.99 105.19 107.67 3jws n GLY 509 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3jws n GLY 509 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3jws s TRP 510 N -0.66 2.80 -0.63 1.61 -0.00 -0.39 -4.95 118.94 116.71 3jws s TRP 510 Ca 0.00 0.64 -0.25 0.00 -0.00 0.00 0.00 56.10 56.50 3jws s TRP 510 Cb 0.00 -3.81 0.05 0.00 -0.00 0.00 0.00 33.47 29.71 3jws s TRP 510 CO 0.00 -3.06 1.05 0.15 -0.00 0.00 0.00 176.95 175.09 3jws s LYS 511 N 2.08 3.24 0.01 5.86 1.02 -1.26 -4.43 119.74 126.26 3jws s LYS 511 Ca 0.68 -0.41 -0.30 0.00 0.02 0.00 0.00 55.97 55.96 3jws s LYS 511 Cb -0.37 -4.14 -0.04 0.00 -0.52 0.00 0.00 37.83 32.77 3jws s LYS 511 CO 0.30 -1.76 1.08 0.00 -0.92 0.00 0.00 175.35 174.05 3jws s ALA 512 N 4.47 3.30 0.13 5.17 0.00 -1.26 -4.93 121.76 128.64 3jws s ALA 512 Ca 0.30 0.65 0.34 0.00 0.00 0.00 0.00 51.96 53.24 3jws s ALA 512 Cb -0.13 -3.40 1.57 0.00 0.00 0.00 0.00 23.12 21.16 3jws s ALA 512 CO 0.16 -0.39 2.02 -1.35 0.00 0.00 0.00 175.76 176.20 3jws h PRO 513 N 6.89 0.00 -5.98 0.00 0.11 -1.99 -3.47 132.00 127.56 3jws h PRO 513 Ca -0.40 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.31 3jws h PRO 513 Cb 1.21 0.00 0.08 0.00 0.11 0.00 0.00 31.00 32.40 3jws h PRO 513 CO 0.79 0.00 -0.80 0.54 -0.21 0.00 0.00 178.00 178.32 3jws n ARG 514 N -2.89 -5.50 -3.08 1.05 1.74 -1.26 -5.03 116.66 101.69 3jws n ARG 514 Ca -0.00 0.68 -0.17 0.00 -0.77 0.00 0.00 57.85 57.59 3jws n ARG 514 Cb 0.21 -5.40 -0.01 0.00 -1.02 0.00 0.00 32.46 26.24 3jws n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jws n GLY 515 N -1.49 3.03 0.10 -0.13 0.00 -1.26 -5.06 105.19 100.38 3jws n GLY 515 Ca -0.26 -2.26 -0.03 0.00 0.00 0.00 0.00 46.02 43.47 3jws n GLY 515 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3jws h ARG 516 N 0.00 0.00 -2.10 1.61 2.43 -1.93 -3.39 114.38 111.00 3jws h ARG 516 Ca -0.23 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.42 3jws h ARG 516 Cb 0.79 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 29.94 3jws h ARG 516 CO 0.36 0.70 -1.00 1.19 -1.51 0.00 0.00 179.97 179.71 3jws n PHE 517 N -3.24 1.57 -3.05 2.20 3.01 -1.26 -4.22 117.46 112.46 3jws n PHE 517 Ca -0.01 -3.88 -0.42 0.00 1.01 0.00 0.00 57.45 54.14 3jws n PHE 517 Cb 0.86 -0.44 -0.06 0.00 -0.01 0.00 0.00 39.48 39.82 3jws n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3jws s ASP 518 N -2.79 6.43 0.02 4.37 1.01 -1.26 -4.94 116.67 119.51 3jws s ASP 518 Ca 0.43 0.04 -0.30 0.00 0.71 0.00 0.00 52.55 53.43 3jws s ASP 518 Cb 0.32 -2.35 -0.08 0.00 1.01 0.00 0.00 42.92 41.82 3jws s ASP 518 CO -0.10 -0.72 1.89 -0.69 0.21 0.00 0.00 175.17 175.77 3jws s VAL 519 N 2.92 3.12 0.62 -1.27 1.01 -1.26 -0.77 120.40 124.76 3jws s VAL 519 Ca 0.26 0.17 -0.18 0.00 0.00 0.00 0.00 61.98 62.24 3jws s VAL 519 Cb -0.14 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.11 3jws s VAL 519 CO 0.18 -0.01 1.22 -0.76 0.00 0.00 0.00 175.10 175.72 3jws s LEU 520 N 4.28 3.60 0.70 3.92 1.43 0.18 -4.89 118.68 127.90 3jws s LEU 520 Ca 0.85 2.42 -0.12 0.00 -1.03 0.00 0.00 54.13 56.25 3jws s LEU 520 Cb -0.41 -4.60 0.02 0.00 0.03 0.00 0.00 46.19 41.23 3jws s LEU 520 CO 0.39 -1.75 1.07 -2.16 0.23 0.00 0.00 176.35 174.13 3jws s PRO 521 N -3.44 2.76 0.17 1.29 0.04 -1.26 -4.77 135.00 129.79 3jws s PRO 521 Ca 0.78 1.09 -0.26 0.00 0.04 0.00 0.00 61.00 62.65 3jws s PRO 521 Cb -0.31 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.19 3jws s PRO 521 CO 0.36 -1.24 0.81 -0.51 0.04 0.00 0.00 177.00 176.45 3jws s LEU 522 N -5.46 4.59 -0.25 -3.56 1.43 0.64 -4.89 118.68 111.19 3jws s LEU 522 Ca 0.60 1.69 0.02 0.00 -1.03 0.00 0.00 54.13 55.41 3jws s LEU 522 Cb -0.16 -3.35 0.06 0.00 0.03 0.00 0.00 46.19 42.77 3jws s LEU 522 CO 0.52 0.19 -0.08 -0.22 0.23 0.00 0.00 176.35 176.98 3jws s LEU 523 N -1.07 3.01 -0.06 1.79 0.20 -1.26 -1.00 118.68 120.29 3jws s LEU 523 Ca 0.37 -1.29 0.05 0.00 0.69 0.00 0.00 54.13 53.95 3jws s LEU 523 Cb -0.23 -1.36 -0.01 0.00 -0.43 0.00 0.00 46.19 44.16 3jws s LEU 523 CO 0.27 -0.21 -0.24 -0.76 -0.29 0.00 0.00 176.35 175.12 3jws s LEU 524 N 1.25 2.05 -0.22 -0.68 1.43 -0.59 -1.88 118.68 120.04 3jws s LEU 524 Ca -0.07 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 3jws s LEU 524 Cb -0.19 -1.33 0.03 0.00 0.03 0.00 0.00 46.19 44.73 3jws s LEU 524 CO -0.06 0.22 -0.13 -1.58 0.23 0.00 0.00 176.35 175.03 3jws s GLN 525 N -0.03 2.77 -0.16 1.70 0.74 -0.21 -1.02 119.66 123.46 3jws s GLN 525 Ca -0.07 -1.00 -0.04 0.00 0.05 0.00 0.00 55.36 54.31 3jws s GLN 525 Cb -0.14 -2.79 -0.03 0.00 1.10 0.00 0.00 33.01 31.15 3jws s GLN 525 CO 0.05 -0.36 -0.03 0.00 -0.55 0.00 0.00 175.29 174.40 3jws s ALA 526 N 1.26 3.01 -1.58 1.58 0.00 -1.26 -0.52 121.76 124.25 3jws s ALA 526 Ca 0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 3jws s ALA 526 Cb -0.16 -1.58 0.01 0.00 0.00 0.00 0.00 23.12 21.39 3jws s ALA 526 CO -0.08 0.18 0.39 -1.71 0.00 0.00 0.00 175.76 174.55 3jws n ASN 527 N 3.59 -5.78 0.00 0.00 4.05 -1.19 -1.81 115.26 114.12 3jws n ASN 527 Ca -0.17 -0.19 0.00 0.00 0.45 0.00 0.00 54.58 54.66 3jws n ASN 527 Cb 0.52 -4.72 0.00 0.00 1.23 0.00 0.00 39.78 36.81 3jws n ASN 527 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3jws n GLY 528 N -1.32 0.68 3.92 8.20 0.00 -0.62 -4.54 105.19 111.51 3jws n GLY 528 Ca -0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.60 3jws n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jws s ASN 529 N -2.35 4.54 0.48 1.61 0.01 -0.75 -4.91 114.94 113.58 3jws s ASN 529 Ca 0.00 0.55 -0.24 0.00 -0.71 0.00 0.00 52.86 52.46 3jws s ASN 529 Cb 0.00 -1.08 -0.07 0.00 0.41 0.00 0.00 41.25 40.51 3jws s ASN 529 CO 0.00 -1.82 1.38 0.47 -1.51 0.00 0.00 177.10 175.63 3jws n ASP 530 N -3.14 2.99 -4.86 -1.22 10.43 -1.26 -4.56 116.55 114.92 3jws n ASP 530 Ca 0.09 1.07 -0.31 0.00 2.57 0.00 0.00 54.79 58.21 3jws n ASP 530 Cb 0.61 -1.58 0.02 0.00 1.84 0.00 0.00 41.12 42.01 3jws n ASP 530 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 3jws s PRO 531 N -2.56 3.41 -0.01 -0.24 0.04 -1.26 -4.73 135.00 129.65 3jws s PRO 531 Ca 0.65 0.78 0.05 0.00 0.04 0.00 0.00 61.00 62.52 3jws s PRO 531 Cb -0.45 -2.06 -0.01 0.00 0.04 0.00 0.00 34.50 32.03 3jws s PRO 531 CO 0.55 -0.71 -0.16 -1.21 0.04 0.00 0.00 177.00 175.51 3jws s GLU 532 N -5.16 1.27 0.26 4.56 2.02 -0.19 -4.84 118.70 116.63 3jws s GLU 532 Ca 0.56 -0.57 -0.24 0.00 0.02 0.00 0.00 54.97 54.75 3jws s GLU 532 Cb -0.12 -1.23 -0.09 0.00 0.10 0.00 0.00 34.13 32.80 3jws s GLU 532 CO 0.54 0.34 0.84 -0.51 0.02 0.00 0.00 175.26 176.49 3jws s LEU 533 N -0.38 4.39 -0.13 1.80 1.43 -1.26 -1.54 118.68 122.99 3jws s LEU 533 Ca 0.06 1.66 -0.08 0.00 -1.03 0.00 0.00 54.13 54.74 3jws s LEU 533 Cb -0.06 -3.74 0.05 0.00 0.03 0.00 0.00 46.19 42.46 3jws s LEU 533 CO -0.01 0.02 0.31 -0.36 0.23 0.00 0.00 176.35 176.54 3jws s PHE 534 N -1.50 -0.41 -0.24 0.29 0.40 -0.17 -4.98 117.98 111.38 3jws s PHE 534 Ca 0.45 0.94 -0.24 0.00 -0.60 0.00 0.00 56.93 57.49 3jws s PHE 534 Cb -0.19 0.13 -0.01 0.00 0.51 0.00 0.00 43.02 43.46 3jws s PHE 534 CO 0.23 -0.25 0.79 -1.14 0.70 0.00 0.00 175.22 175.56 3jws s GLN 535 N 1.02 4.18 0.16 0.44 0.74 -1.26 -0.26 119.66 124.67 3jws s GLN 535 Ca -0.07 0.87 -0.31 0.00 0.05 0.00 0.00 55.36 55.90 3jws s GLN 535 Cb -0.08 -3.64 -0.10 0.00 1.10 0.00 0.00 33.01 30.29 3jws s GLN 535 CO -0.07 -0.49 1.60 0.42 -0.55 0.00 0.00 175.29 176.20 3jws s ILE 536 N 2.74 2.61 -0.17 -2.34 1.01 -1.26 -4.93 121.20 118.86 3jws s ILE 536 Ca 0.33 0.40 -0.37 0.00 0.00 0.00 0.00 60.65 61.01 3jws s ILE 536 Cb -0.15 -3.25 -0.14 0.00 0.01 0.00 0.00 42.46 38.92 3jws s ILE 536 CO 0.08 0.03 1.79 -2.65 0.00 0.00 0.00 174.94 174.18 3jws n PRO 537 N 4.22 1.65 -0.29 2.79 -0.02 -1.26 -4.83 135.00 137.26 3jws n PRO 537 Ca 0.14 0.60 0.15 0.00 -2.02 0.00 0.00 63.50 62.38 3jws n PRO 537 Cb 0.38 -2.36 0.41 0.00 -0.02 0.00 0.00 33.50 31.91 3jws n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3jws h PRO 538 N 8.01 0.60 0.00 0.52 0.11 -1.93 0.58 132.00 139.88 3jws h PRO 538 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3jws h PRO 538 Cb 1.30 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3jws h PRO 538 CO 0.95 0.40 0.00 1.05 -0.21 0.00 0.00 178.00 180.18 3jws h GLU 539 N 0.62 0.00 0.00 1.05 9.09 -2.04 -0.70 114.58 122.60 3jws h GLU 539 Ca 0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.91 3jws h GLU 539 Cb 0.95 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.05 3jws h GLU 539 CO -0.25 0.00 -0.70 -0.07 0.05 0.00 0.00 179.01 178.04 3jws h LEU 540 N 0.00 0.00 -8.10 3.06 3.38 -0.17 -3.44 115.31 110.05 3jws h LEU 540 Ca 0.00 -0.17 -0.71 0.00 0.09 0.00 0.00 57.88 57.10 3jws h LEU 540 Cb 0.05 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.60 3jws h LEU 540 CO 0.00 0.08 0.23 -0.69 0.09 0.00 0.00 178.44 178.16 3jws s VAL 541 N -3.21 4.88 -0.12 1.22 1.01 -0.27 -4.77 120.40 119.14 3jws s VAL 541 Ca 0.05 -1.23 -0.29 0.00 0.00 0.00 0.00 61.98 60.50 3jws s VAL 541 Cb 0.12 -4.54 -0.02 0.00 0.00 0.00 0.00 36.38 31.94 3jws s VAL 541 CO 0.74 -1.19 1.26 -0.22 0.00 0.00 0.00 175.10 175.69 3jws s LEU 542 N 2.45 4.22 0.14 3.92 2.96 -1.26 -4.98 118.68 126.13 3jws s LEU 542 Ca 0.16 1.77 0.11 0.00 -0.22 0.00 0.00 54.13 55.94 3jws s LEU 542 Cb -0.19 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 3jws s LEU 542 CO 0.02 -0.71 -0.26 -1.61 -1.32 0.00 0.00 176.35 172.47 3jws s GLU 543 N 3.06 1.43 -0.21 1.98 2.02 -1.26 -0.22 118.70 125.51 3jws s GLU 543 Ca 0.56 -1.39 0.01 0.00 0.02 0.00 0.00 54.97 54.17 3jws s GLU 543 Cb -0.23 -1.89 0.03 0.00 0.10 0.00 0.00 34.13 32.13 3jws s GLU 543 CO 0.18 0.44 -0.15 0.08 0.02 0.00 0.00 175.26 175.83 3jws s VAL 544 N -1.20 2.31 0.25 2.63 1.01 0.11 -4.91 120.40 120.62 3jws s VAL 544 Ca 0.16 -1.04 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 3jws s VAL 544 Cb -0.10 -2.08 -0.09 0.00 0.00 0.00 0.00 36.38 34.11 3jws s VAL 544 CO 0.07 0.38 1.29 -2.16 0.00 0.00 0.00 175.10 174.68 3jws s PRO 545 N 1.28 4.41 -0.37 2.72 0.04 -1.26 -1.75 135.00 140.06 3jws s PRO 545 Ca 0.02 2.09 -0.16 0.00 0.04 0.00 0.00 61.00 62.99 3jws s PRO 545 Cb -0.15 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.24 3jws s PRO 545 CO -0.09 -0.18 0.36 0.42 0.04 0.00 0.00 177.00 177.55 3jws s ILE 546 N -0.47 5.17 0.32 0.56 -1.09 0.11 -4.86 121.20 120.95 3jws s ILE 546 Ca 0.53 -0.18 0.07 0.00 -2.23 0.00 0.00 60.65 58.83 3jws s ILE 546 Cb -0.37 -3.89 -0.06 0.00 -1.58 0.00 0.00 42.46 36.56 3jws s ILE 546 CO 0.44 -0.21 -0.03 0.00 -1.23 0.00 0.00 174.94 173.91 3jws s ARG 547 N 1.98 1.70 -0.06 2.79 3.03 -1.26 -3.99 118.95 123.13 3jws s ARG 547 Ca 0.10 -1.90 0.03 0.00 2.03 0.00 0.00 55.73 55.99 3jws s ARG 547 Cb -0.17 -1.28 -0.02 0.00 -1.03 0.00 0.00 34.95 32.44 3jws s ARG 547 CO 0.12 -0.01 -0.14 -1.58 -1.13 0.00 0.00 175.30 172.56 3jws s HIS 548 N -2.94 2.72 0.56 5.89 2.46 -1.26 -4.43 115.29 118.29 3jws s HIS 548 Ca 0.33 -0.24 0.32 0.00 0.47 0.00 0.00 55.06 55.93 3jws s HIS 548 Cb 0.06 -1.67 1.84 0.00 -0.13 0.00 0.00 32.58 32.68 3jws s HIS 548 CO 0.15 0.12 2.24 -1.00 -2.47 0.00 0.00 174.74 173.77 3jws h PRO 549 N 5.58 0.00 0.00 2.88 0.13 -1.94 -3.29 132.00 135.37 3jws h PRO 549 Ca -0.43 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.60 3jws h PRO 549 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 3jws h PRO 549 CO 0.51 0.02 -1.40 1.63 -0.23 0.00 0.00 178.00 178.53 3jws n LYS 550 N -3.68 1.18 -3.09 0.86 5.02 -1.26 -4.97 118.16 112.22 3jws n LYS 550 Ca -0.03 0.03 -0.44 0.00 -2.02 0.00 0.00 58.31 55.85 3jws n LYS 550 Cb 0.11 -1.15 -0.05 0.00 -0.02 0.00 0.00 35.03 33.92 3jws n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3jws s PHE 551 N -2.14 2.99 0.28 2.13 2.99 -1.24 -4.92 117.98 118.06 3jws s PHE 551 Ca -0.07 -0.57 0.01 0.00 0.00 0.00 0.00 56.93 56.29 3jws s PHE 551 Cb 0.02 -3.74 0.53 0.00 0.00 0.00 0.00 43.02 39.83 3jws s PHE 551 CO 0.19 -1.16 1.84 0.22 -0.00 0.00 0.00 175.22 176.31 3jws h ASP 552 N 9.10 0.92 0.63 1.36 3.58 -1.93 -1.26 116.42 128.81 3jws h ASP 552 Ca -0.28 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.22 3jws h ASP 552 Cb 1.09 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.00 3jws h ASP 552 CO 1.02 0.50 0.00 4.11 -2.88 0.00 0.00 179.24 181.99 3jws h TRP 553 N 1.00 0.00 -0.22 0.28 5.08 -1.95 -3.29 115.95 116.84 3jws h TRP 553 Ca 0.49 0.00 0.05 0.00 1.08 0.00 0.00 58.89 60.51 3jws h TRP 553 Cb 0.46 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 26.57 3jws h TRP 553 CO -0.01 0.00 -0.08 0.35 -1.28 0.00 0.00 178.44 177.42 3jws h PHE 554 N 0.00 -0.19 -1.18 0.12 3.57 -1.59 -0.91 116.94 116.76 3jws h PHE 554 Ca 0.00 0.02 0.34 0.00 3.53 0.00 0.00 57.97 61.86 3jws h PHE 554 Cb 0.31 0.12 -0.09 0.00 2.79 0.00 0.00 35.95 39.08 3jws h PHE 554 CO 0.00 -0.13 0.79 1.57 -2.23 0.00 0.00 178.31 178.30 3jws h LYS 555 N -0.04 0.20 0.00 1.11 2.10 -1.69 -0.71 116.57 117.54 3jws h LYS 555 Ca 0.12 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 3jws h LYS 555 Cb 0.22 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 3jws h LYS 555 CO -0.26 0.13 0.00 -3.47 -2.00 0.00 0.00 179.45 173.86 3jws n ASP 556 N -4.51 0.49 0.00 7.07 2.03 -0.35 -3.10 116.55 118.18 3jws n ASP 556 Ca 0.29 0.61 0.05 0.00 0.52 0.00 0.00 54.79 56.26 3jws n ASP 556 Cb 1.14 -0.72 0.23 0.00 -0.72 0.00 0.00 41.12 41.06 3jws n ASP 556 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3jws n LEU 557 N -2.03 0.00 -0.68 -2.67 4.77 -0.27 -4.86 117.00 111.26 3jws n LEU 557 Ca 0.03 0.35 -0.07 0.00 -0.03 0.00 0.00 56.01 56.28 3jws n LEU 557 Cb 0.23 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 40.95 3jws n LEU 557 CO 0.19 -0.24 -0.08 0.61 -1.33 0.00 0.00 177.39 176.54 3jws n GLY 558 N -0.49 0.59 3.84 -0.72 0.00 -1.18 -5.02 105.19 102.21 3jws n GLY 558 Ca 0.04 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.03 3jws n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jws s LEU 559 N -1.86 4.44 0.19 0.99 1.43 -1.26 -5.03 118.68 117.58 3jws s LEU 559 Ca 0.00 0.93 -0.10 0.00 -1.03 0.00 0.00 54.13 53.93 3jws s LEU 559 Cb 0.00 -2.70 -0.01 0.00 0.03 0.00 0.00 46.19 43.51 3jws s LEU 559 CO 0.00 0.28 0.34 -1.59 0.23 0.00 0.00 176.35 175.61 3jws s LYS 560 N -1.31 1.28 0.21 1.70 -2.85 -1.26 -0.71 119.74 116.80 3jws s LYS 560 Ca 0.26 -1.22 -0.07 0.00 -1.00 0.00 0.00 55.97 53.95 3jws s LYS 560 Cb -0.16 0.40 -0.02 0.00 -2.06 0.00 0.00 37.83 35.99 3jws s LYS 560 CO 0.15 -0.49 0.28 -0.46 0.10 0.00 0.00 175.35 174.92 3jws s TRP 561 N -3.99 0.72 0.26 1.78 -0.11 -0.71 -4.93 118.94 111.95 3jws s TRP 561 Ca 0.20 -1.03 -0.05 0.00 1.22 0.00 0.00 56.10 56.44 3jws s TRP 561 Cb 0.02 -0.20 -0.05 0.00 -1.50 0.00 0.00 33.47 31.74 3jws s TRP 561 CO 0.03 -0.77 0.52 1.52 -4.62 0.00 0.00 176.95 173.64 3jws s TYR 562 N -4.07 3.47 -0.10 5.86 -0.85 -1.26 0.10 117.35 120.50 3jws s TYR 562 Ca 0.28 0.64 0.16 0.00 -0.52 0.00 0.00 57.07 57.63 3jws s TYR 562 Cb 0.04 -2.09 0.22 0.00 0.38 0.00 0.00 41.96 40.50 3jws s TYR 562 CO 0.08 0.23 1.51 0.78 -1.52 0.00 0.00 175.55 176.63 3jws h GLY 563 N 1.92 0.00 -7.63 5.49 0.00 -0.95 -3.45 103.07 98.46 3jws h GLY 563 Ca -0.47 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.16 3jws h GLY 563 CO 0.67 0.00 -0.59 -2.27 0.00 0.00 0.00 176.54 174.35 3jws s LEU 564 N -6.56 4.52 -0.29 3.11 2.96 -1.26 -4.52 118.68 116.64 3jws s LEU 564 Ca 0.03 -1.33 -0.28 0.00 -0.22 0.00 0.00 54.13 52.33 3jws s LEU 564 Cb 0.08 -1.86 0.01 0.00 0.50 0.00 0.00 46.19 44.92 3jws s LEU 564 CO 0.73 -0.38 1.02 -2.16 -1.32 0.00 0.00 176.35 174.23 3jws s PRO 565 N 1.35 4.10 -0.33 0.98 0.04 -1.26 -4.71 135.00 135.17 3jws s PRO 565 Ca -0.00 1.07 -0.01 0.00 0.04 0.00 0.00 61.00 62.10 3jws s PRO 565 Cb -0.21 -3.71 0.13 0.00 0.04 0.00 0.00 34.50 30.75 3jws s PRO 565 CO 0.01 -0.80 0.22 0.00 0.04 0.00 0.00 177.00 176.47 3jws s ALA 566 N 3.42 0.55 0.02 8.56 0.00 -1.26 -2.86 121.76 130.19 3jws s ALA 566 Ca 0.43 -1.41 -0.30 0.00 0.00 0.00 0.00 51.96 50.67 3jws s ALA 566 Cb -0.13 -1.62 -0.06 0.00 0.00 0.00 0.00 23.12 21.31 3jws s ALA 566 CO 0.13 -1.96 1.47 0.08 0.00 0.00 0.00 175.76 175.47 3jws s VAL 567 N 1.50 3.55 0.00 0.00 1.01 -0.44 -0.53 120.40 125.48 3jws s VAL 567 Ca 0.15 0.94 0.00 0.00 0.00 0.00 0.00 61.98 63.07 3jws s VAL 567 Cb -0.19 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.58 3jws s VAL 567 CO -0.12 -0.00 0.50 -1.54 0.00 0.00 0.00 175.10 173.93 3jws n SER 568 N 5.46 0.88 -0.63 3.32 3.41 -0.39 -1.32 113.62 124.35 3jws n SER 568 Ca 0.14 -1.22 0.06 0.00 -0.26 0.00 0.00 58.87 57.59 3jws n SER 568 Cb 0.43 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.51 3jws n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3jws n ASN 569 N -0.11 2.72 -4.96 4.04 2.04 -1.20 -4.27 115.26 113.52 3jws n ASN 569 Ca 0.00 -1.86 -0.23 0.00 -0.44 0.00 0.00 54.58 52.05 3jws n ASN 569 Cb 0.17 -0.18 0.01 0.00 -2.53 0.00 0.00 39.78 37.25 3jws n ASN 569 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 3jws s MET 570 N -1.00 3.01 -0.16 -3.83 -1.94 -1.26 -4.39 119.30 109.73 3jws s MET 570 Ca 0.22 -0.53 -0.03 0.00 -1.71 0.00 0.00 55.69 53.64 3jws s MET 570 Cb 0.12 -2.56 -0.02 0.00 2.01 0.00 0.00 34.83 34.38 3jws s MET 570 CO 0.16 -0.31 -0.07 -1.17 -0.01 0.00 0.00 175.02 173.62 3jws s LEU 571 N -4.57 3.02 -0.27 -0.03 0.20 0.42 -4.36 118.68 113.10 3jws s LEU 571 Ca 0.49 -0.23 -0.16 0.00 0.69 0.00 0.00 54.13 54.92 3jws s LEU 571 Cb -0.10 -1.72 -0.04 0.00 -0.43 0.00 0.00 46.19 43.91 3jws s LEU 571 CO 0.38 0.14 0.40 -0.22 -0.29 0.00 0.00 176.35 176.76 3jws s LEU 572 N 0.53 4.04 -0.29 -0.68 2.96 -0.19 -0.21 118.68 124.84 3jws s LEU 572 Ca -0.05 0.34 -0.06 0.00 -0.22 0.00 0.00 54.13 54.14 3jws s LEU 572 Cb -0.15 -2.48 0.01 0.00 0.50 0.00 0.00 46.19 44.08 3jws s LEU 572 CO 0.03 -0.20 0.06 -0.70 -1.32 0.00 0.00 176.35 174.22 3jws s GLU 573 N 2.11 3.03 -0.13 1.98 2.12 -0.05 -0.33 118.70 127.42 3jws s GLU 573 Ca 0.16 -0.89 -0.00 0.00 0.36 0.00 0.00 54.97 54.60 3jws s GLU 573 Cb -0.16 -3.33 0.03 0.00 0.26 0.00 0.00 34.13 30.93 3jws s GLU 573 CO 0.10 -0.45 -0.08 0.42 -0.54 0.00 0.00 175.26 174.71 3jws s ILE 574 N 1.47 1.13 -1.56 -3.70 1.01 -0.79 -1.99 121.20 116.78 3jws s ILE 574 Ca 0.02 -0.44 -0.13 0.00 0.00 0.00 0.00 60.65 60.10 3jws s ILE 574 Cb -0.17 -1.18 0.09 0.00 0.01 0.00 0.00 42.46 41.21 3jws s ILE 574 CO 0.02 0.32 0.87 0.61 0.00 0.00 0.00 174.94 176.75 3jws n GLY 575 N 4.90 -0.45 3.01 6.18 0.00 -1.26 -1.32 105.19 116.25 3jws n GLY 575 Ca -0.13 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3jws n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jws n GLY 576 N -1.62 2.92 3.79 -0.02 0.00 -1.26 -3.68 105.19 105.32 3jws n GLY 576 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 3jws n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jws s LEU 577 N 0.00 4.52 -0.17 0.99 1.43 -0.44 -5.04 118.68 119.97 3jws s LEU 577 Ca 0.00 1.58 -0.00 0.00 -1.03 0.00 0.00 54.13 54.67 3jws s LEU 577 Cb 0.00 -3.38 0.00 0.00 0.03 0.00 0.00 46.19 42.85 3jws s LEU 577 CO 0.00 0.16 -0.14 -1.61 0.23 0.00 0.00 176.35 174.98 3jws s GLU 578 N -1.39 3.19 -0.49 1.70 2.02 -1.26 -1.88 118.70 120.59 3jws s GLU 578 Ca 0.38 -0.75 -0.06 0.00 0.02 0.00 0.00 54.97 54.56 3jws s GLU 578 Cb -0.21 -2.68 0.13 0.00 0.10 0.00 0.00 34.13 31.46 3jws s GLU 578 CO 0.24 -0.08 0.33 -0.06 0.02 0.00 0.00 175.26 175.71 3jws s PHE 579 N 1.06 3.50 -0.88 1.61 0.40 0.55 -0.02 117.98 124.20 3jws s PHE 579 Ca -0.01 -2.19 0.28 0.00 -0.60 0.00 0.00 56.93 54.41 3jws s PHE 579 Cb -0.15 -3.38 1.01 0.00 0.51 0.00 0.00 43.02 41.01 3jws s PHE 579 CO -0.04 -0.97 1.83 -1.13 0.70 0.00 0.00 175.22 175.61 3jws n SER 580 N 4.56 0.38 -3.82 1.36 3.41 -1.26 -1.03 113.62 117.22 3jws n SER 580 Ca -0.03 0.49 -0.30 0.00 -0.26 0.00 0.00 58.87 58.78 3jws n SER 580 Cb 0.41 -0.58 -0.15 0.00 -0.26 0.00 0.00 64.21 63.63 3jws n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jws s ALA 581 N -3.05 1.71 -0.41 7.33 0.00 -1.21 -4.65 121.76 121.48 3jws s ALA 581 Ca 0.12 -1.50 0.09 0.00 0.00 0.00 0.00 51.96 50.67 3jws s ALA 581 Cb 0.16 -1.53 0.34 0.00 0.00 0.00 0.00 23.12 22.10 3jws s ALA 581 CO 0.57 -1.44 0.97 0.00 0.00 0.00 0.00 175.76 175.86 3jws s PRO 583 N -0.97 4.14 0.12 0.00 0.04 -1.16 -4.68 135.00 132.49 3jws s PRO 583 Ca 0.29 2.56 0.05 0.00 0.04 0.00 0.00 61.00 63.95 3jws s PRO 583 Cb 0.33 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.77 3jws s PRO 583 CO -0.06 -0.67 -0.13 -0.59 0.04 0.00 0.00 177.00 175.59 3jws s PHE 584 N 0.56 1.34 -0.01 0.56 -0.12 -0.44 -1.51 117.98 118.36 3jws s PHE 584 Ca 0.68 -0.59 -0.10 0.00 -0.05 0.00 0.00 56.93 56.87 3jws s PHE 584 Cb -0.48 -0.70 0.01 0.00 -0.63 0.00 0.00 43.02 41.22 3jws s PHE 584 CO 0.40 0.12 0.21 -1.54 -0.05 0.00 0.00 175.22 174.36 3jws s SER 585 N -2.52 -0.08 0.00 1.98 1.04 -0.18 -1.33 113.70 112.60 3jws s SER 585 Ca 0.09 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.47 3jws s SER 585 Cb -0.04 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.34 3jws s SER 585 CO 0.02 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.46 3jws n GLY 586 N 1.44 3.63 3.19 7.32 0.00 -1.13 -1.91 105.19 117.72 3jws n GLY 586 Ca -0.22 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.32 3jws n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3jws s TRP 587 N 3.29 0.37 0.36 1.61 -2.14 -1.26 -4.52 118.94 116.66 3jws s TRP 587 Ca 0.00 -0.82 -0.26 0.00 2.66 0.00 0.00 56.10 57.69 3jws s TRP 587 Cb 0.00 -0.20 -0.09 0.00 -3.10 0.00 0.00 33.47 30.08 3jws s TRP 587 CO 0.00 -0.52 1.05 0.71 -2.66 0.00 0.00 176.95 175.53 3jws s TYR 588 N -3.91 3.40 0.07 1.66 1.51 -1.26 -4.92 117.35 113.90 3jws s TYR 588 Ca 0.09 1.68 -0.23 0.00 -1.01 0.00 0.00 57.07 57.60 3jws s TYR 588 Cb 0.06 -3.14 -0.06 0.00 -0.11 0.00 0.00 41.96 38.71 3jws s TYR 588 CO -0.08 -0.49 0.71 1.41 -1.11 0.00 0.00 175.55 175.99 3jws s MET 589 N -2.18 4.44 0.28 -0.62 -2.45 -1.26 -1.24 119.30 116.27 3jws s MET 589 Ca 0.54 0.98 0.02 0.00 -1.25 0.00 0.00 55.69 55.98 3jws s MET 589 Cb -0.24 -3.31 0.63 0.00 1.25 0.00 0.00 34.83 33.16 3jws s MET 589 CO 0.30 0.44 1.77 0.78 1.05 0.00 0.00 175.02 179.35 3jws h GLY 590 N 5.11 1.57 2.00 2.11 0.00 -0.92 -2.16 103.07 110.77 3jws h GLY 590 Ca -0.46 -0.30 -0.01 0.00 0.00 0.00 0.00 47.33 46.57 3jws h GLY 590 CO 0.68 -0.06 -0.03 -0.91 0.00 0.00 0.00 176.54 176.22 3jws h THR 591 N 0.68 0.95 -0.85 4.70 1.35 -1.94 -0.92 112.91 116.89 3jws h THR 591 Ca 0.52 -0.11 0.11 0.00 -0.55 0.00 0.00 66.41 66.38 3jws h THR 591 Cb 0.78 1.06 -0.08 0.00 -1.73 0.00 0.00 68.15 68.18 3jws h THR 591 CO -0.38 0.03 0.48 -0.33 -0.25 0.00 0.00 175.52 175.07 3jws h GLU 592 N 0.00 0.75 0.00 4.72 5.08 -1.80 0.73 114.58 124.06 3jws h GLU 592 Ca -0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3jws h GLU 592 Cb 0.06 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 3jws h GLU 592 CO 0.00 0.49 -0.13 0.82 -1.00 0.00 0.00 179.01 179.20 3jws h ILE 593 N 0.77 0.34 -0.29 3.13 2.04 -1.61 -0.76 117.51 121.13 3jws h ILE 593 Ca 0.42 -1.28 -0.08 0.00 1.00 0.00 0.00 64.86 64.93 3jws h ILE 593 Cb 0.44 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 3jws h ILE 593 CO -0.28 0.12 -0.15 1.23 0.00 0.00 0.00 178.15 179.07 3jws h GLY 594 N -1.00 0.54 0.00 5.37 0.00 -1.18 -0.18 103.07 106.62 3jws h GLY 594 Ca -0.01 -0.39 -0.19 0.00 0.00 0.00 0.00 47.33 46.74 3jws h GLY 594 CO -0.01 0.36 -1.51 -0.62 0.00 0.00 0.00 176.54 174.76 3jws n VAL 595 N -4.18 1.50 0.01 4.60 0.31 0.20 -4.10 118.33 116.68 3jws n VAL 595 Ca 0.00 -0.05 -0.08 0.00 -0.01 0.00 0.00 64.34 64.21 3jws n VAL 595 Cb 0.34 -2.16 -0.06 0.00 -0.91 0.00 0.00 33.84 31.06 3jws n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3jws h ARG 596 N -1.00 -0.14 -0.50 5.55 2.47 -1.43 -2.18 114.38 117.14 3jws h ARG 596 Ca -0.29 0.01 -0.09 0.00 -1.26 0.00 0.00 59.98 58.35 3jws h ARG 596 Cb 1.18 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.52 3jws h ARG 596 CO -0.17 0.23 -0.04 -0.44 0.56 0.00 0.00 179.97 180.11 3jws h ASP 597 N -0.97 0.91 0.31 7.04 3.32 -0.75 -2.86 116.42 123.42 3jws h ASP 597 Ca -0.01 -0.32 -0.33 0.00 0.02 0.00 0.00 57.03 56.38 3jws h ASP 597 Cb 0.44 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 3jws h ASP 597 CO 0.02 1.01 -1.78 1.88 -1.72 0.00 0.00 179.24 178.65 3jws h TYR 598 N 0.78 0.36 0.00 4.55 0.99 -1.22 -2.10 116.97 120.34 3jws h TYR 598 Ca 0.14 -0.27 0.00 0.00 2.00 0.00 0.00 58.73 60.60 3jws h TYR 598 Cb 0.57 -0.01 0.00 0.00 1.00 0.00 0.00 36.73 38.29 3jws h TYR 598 CO 0.04 1.47 -0.80 0.00 -0.00 0.00 0.00 178.16 178.87 3jws n ASP 600 N -1.44 2.35 -0.22 0.00 9.92 -1.08 -4.65 116.55 121.44 3jws n ASP 600 Ca 0.01 1.20 0.02 0.00 -0.53 0.00 0.00 54.79 55.49 3jws n ASP 600 Cb 0.21 -1.43 0.14 0.00 -0.64 0.00 0.00 41.12 39.40 3jws n ASP 600 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 3jws h ASN 601 N 2.38 0.13 -0.41 -2.24 -0.00 -1.93 -2.37 115.58 111.15 3jws h ASN 601 Ca -0.44 0.11 0.00 0.00 -0.00 0.00 0.00 56.30 55.96 3jws h ASN 601 Cb 1.30 0.12 0.00 0.00 -0.00 0.00 0.00 38.32 39.74 3jws h ASN 601 CO 0.62 0.06 0.00 -1.54 -0.00 0.00 0.00 177.43 176.57 3jws n SER 602 N -5.06 2.65 0.00 1.15 3.41 -1.26 -4.62 113.62 109.89 3jws n SER 602 Ca 0.11 -2.13 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 3jws n SER 602 Cb 0.35 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 3jws n SER 602 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3jws n ARG 603 N 0.66 0.53 0.25 4.33 5.12 -0.91 -4.19 116.66 122.44 3jws n ARG 603 Ca 0.15 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 56.20 3jws n ARG 603 Cb 0.47 0.00 0.49 0.00 -1.16 0.00 0.00 32.46 32.26 3jws n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3jws h TYR 604 N 0.00 0.00 -6.35 -1.55 -1.99 -1.53 -3.41 116.97 102.14 3jws h TYR 604 Ca 0.00 0.00 -0.48 0.00 2.00 0.00 0.00 58.73 60.25 3jws h TYR 604 Cb 0.00 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.69 3jws h TYR 604 CO 0.00 0.08 -0.83 -1.71 -0.00 0.00 0.00 178.16 175.71 3jws n ASN 605 N -3.18 -2.27 -0.29 3.88 4.05 0.06 -4.86 115.26 112.67 3jws n ASN 605 Ca 0.01 -0.88 0.13 0.00 0.45 0.00 0.00 54.58 54.28 3jws n ASN 605 Cb 0.40 -3.56 0.60 0.00 1.23 0.00 0.00 39.78 38.45 3jws n ASN 605 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 3jws n ILE 606 N -4.44 0.05 0.08 -1.44 -5.35 -0.11 -4.32 119.36 103.83 3jws n ILE 606 Ca -0.15 -0.16 -0.12 0.00 -0.27 0.00 0.00 62.75 62.04 3jws n ILE 606 Cb 0.61 0.06 -0.06 0.00 -1.74 0.00 0.00 39.64 38.52 3jws n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3jws h LEU 607 N 1.27 -0.34 -0.47 7.28 3.38 -1.87 -2.14 115.31 122.42 3jws h LEU 607 Ca 0.00 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.11 3jws h LEU 607 Cb 0.27 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.06 3jws h LEU 607 CO 0.00 -0.18 -0.21 -0.33 0.09 0.00 0.00 178.44 177.81 3jws h GLU 608 N -0.24 -0.10 -0.67 1.13 5.08 -1.99 -2.49 114.58 115.30 3jws h GLU 608 Ca 0.02 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 3jws h GLU 608 Cb 0.26 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 3jws h GLU 608 CO -0.07 -0.07 0.27 0.93 -1.00 0.00 0.00 179.01 179.07 3jws h GLU 609 N -0.11 1.00 -0.14 2.33 5.08 -1.76 -2.57 114.58 118.41 3jws h GLU 609 Ca 0.22 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 3jws h GLU 609 Cb 0.45 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 3jws h GLU 609 CO -0.54 0.83 -0.03 0.28 -1.00 0.00 0.00 179.01 178.56 3jws h VAL 610 N 0.95 1.28 -0.67 3.13 2.07 -1.17 -2.40 116.25 119.44 3jws h VAL 610 Ca 0.22 -0.95 0.06 0.00 0.82 0.00 0.00 66.70 66.85 3jws h VAL 610 Cb 0.20 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 3jws h VAL 610 CO -0.02 0.28 0.45 0.00 0.02 0.00 0.00 177.57 178.30 3jws h ALA 611 N 0.72 1.75 -0.05 1.67 0.00 -1.46 -1.41 119.26 120.48 3jws h ALA 611 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3jws h ALA 611 Cb 0.44 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3jws h ALA 611 CO 0.01 0.14 0.03 0.87 0.00 0.00 0.00 179.25 180.31 3jws h LYS 612 N 0.69 0.06 -0.13 0.00 1.57 -1.26 -1.98 116.57 115.52 3jws h LYS 612 Ca 0.29 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.03 3jws h LYS 612 Cb 0.27 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3jws h LYS 612 CO -0.09 0.06 -0.08 0.87 -0.57 0.00 0.00 179.45 179.63 3jws h LYS 613 N 0.05 0.19 0.00 3.15 1.79 -0.90 -1.81 116.57 119.04 3jws h LYS 613 Ca 0.02 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3jws h LYS 613 Cb 0.01 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 3jws h LYS 613 CO -0.00 0.28 0.00 -1.33 -1.08 0.00 0.00 179.45 177.32 3jws n MET 614 N -4.34 0.35 -3.76 3.15 2.81 -0.59 -4.93 117.12 109.81 3jws n MET 614 Ca -0.01 0.02 -0.27 0.00 -1.81 0.00 0.00 57.70 55.63 3jws n MET 614 Cb 0.22 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.28 3jws n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3jws n ASP 615 N -1.32 -5.39 -4.88 7.83 2.03 -0.68 -4.98 116.55 109.16 3jws n ASP 615 Ca 0.13 -0.67 -0.30 0.00 0.52 0.00 0.00 54.79 54.47 3jws n ASP 615 Cb 0.24 -4.44 0.01 0.00 -0.72 0.00 0.00 41.12 36.22 3jws n ASP 615 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3jws s LEU 616 N -7.27 3.28 -0.64 -2.67 1.43 -0.97 -4.99 118.68 106.86 3jws s LEU 616 Ca 0.60 1.26 -0.27 0.00 -1.03 0.00 0.00 54.13 54.68 3jws s LEU 616 Cb -0.29 -4.25 0.02 0.00 0.03 0.00 0.00 46.19 41.70 3jws s LEU 616 CO 0.78 -0.86 1.38 -0.62 0.23 0.00 0.00 176.35 177.26 3jws s ASP 617 N -4.19 6.10 -0.09 2.29 3.68 -1.26 -4.87 116.67 118.33 3jws s ASP 617 Ca 0.54 -0.02 0.17 0.00 2.13 0.00 0.00 52.55 55.37 3jws s ASP 617 Cb -0.11 -2.55 0.64 0.00 -1.45 0.00 0.00 42.92 39.46 3jws s ASP 617 CO 0.51 -1.80 1.54 0.23 0.13 0.00 0.00 175.17 175.79 3jws n MET 618 N 8.96 3.32 0.07 4.34 2.81 -1.26 -4.44 117.12 130.92 3jws n MET 618 Ca 0.09 -2.56 -0.18 0.00 -1.81 0.00 0.00 57.70 53.25 3jws n MET 618 Cb 0.49 -1.78 -0.09 0.00 -0.71 0.00 0.00 33.22 31.13 3jws n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3jws h ARG 619 N 3.75 0.55 -5.15 0.03 3.08 -2.04 -3.46 114.38 111.14 3jws h ARG 619 Ca 0.00 -0.64 -0.45 0.00 0.07 0.00 0.00 59.98 58.96 3jws h ARG 619 Cb 1.26 0.19 -0.28 0.00 0.08 0.00 0.00 29.97 31.22 3jws h ARG 619 CO 0.18 1.25 -0.80 -1.59 -1.07 0.00 0.00 179.97 177.94 3jws s LYS 620 N -3.18 1.00 0.54 0.04 -2.85 -1.26 -5.02 119.74 109.00 3jws s LYS 620 Ca -0.08 -0.50 0.25 0.00 -1.00 0.00 0.00 55.97 54.64 3jws s LYS 620 Cb 0.07 -0.97 1.50 0.00 -2.06 0.00 0.00 37.83 36.38 3jws s LYS 620 CO 0.90 0.26 2.14 1.79 0.10 0.00 0.00 175.35 180.54 3jws h THR 621 N 4.77 0.70 0.00 3.79 1.35 -1.92 -2.80 112.91 118.80 3jws h THR 621 Ca -0.34 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 3jws h THR 621 Cb 1.17 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 3jws h THR 621 CO 0.48 0.07 0.00 -1.54 -0.25 0.00 0.00 175.52 174.28 3jws n SER 622 N -3.94 0.00 0.00 5.36 3.41 -1.26 -1.44 113.62 115.74 3jws n SER 622 Ca -0.03 -0.30 0.14 0.00 -0.26 0.00 0.00 58.87 58.42 3jws n SER 622 Cb 0.16 -0.17 0.69 0.00 -0.26 0.00 0.00 64.21 64.63 3jws n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3jws n SER 623 N -1.17 0.00 -3.59 4.04 3.41 -1.06 -4.92 113.62 110.33 3jws n SER 623 Ca 0.13 0.01 -0.27 0.00 -0.26 0.00 0.00 58.87 58.49 3jws n SER 623 Cb 0.13 -0.33 0.02 0.00 -0.26 0.00 0.00 64.21 63.78 3jws n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3jws n LEU 624 N -1.33 -2.35 -0.38 1.04 4.77 -0.52 -4.90 117.00 113.32 3jws n LEU 624 Ca 0.12 -0.57 -0.01 0.00 -0.03 0.00 0.00 56.01 55.52 3jws n LEU 624 Cb 0.25 -2.55 0.13 0.00 -2.33 0.00 0.00 43.42 38.92 3jws n LEU 624 CO 0.23 0.35 1.29 4.11 -1.33 0.00 0.00 177.39 182.04 3jws h TRP 625 N -1.70 1.25 -0.55 -1.77 5.08 -1.82 -0.76 115.95 115.68 3jws h TRP 625 Ca -0.53 0.03 -0.02 0.00 1.08 0.00 0.00 58.89 59.45 3jws h TRP 625 Cb 1.35 -0.42 -0.03 0.00 -3.00 0.00 0.00 29.16 27.07 3jws h TRP 625 CO 0.59 0.75 0.28 0.87 -1.28 0.00 0.00 178.44 179.65 3jws h LYS 626 N 1.32 0.79 -0.44 0.12 1.57 -1.90 -1.90 116.57 116.12 3jws h LYS 626 Ca 0.39 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.96 3jws h LYS 626 Cb -0.08 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 3jws h LYS 626 CO -0.10 0.63 -0.12 -0.44 -0.57 0.00 0.00 179.45 178.84 3jws h ASP 627 N 0.75 0.86 -0.30 0.86 5.19 -1.84 -0.82 116.42 121.12 3jws h ASP 627 Ca 0.19 -0.37 -0.02 0.00 -0.62 0.00 0.00 57.03 56.21 3jws h ASP 627 Cb 0.09 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.35 3jws h ASP 627 CO -0.03 1.03 0.10 -0.61 -3.12 0.00 0.00 179.24 176.61 3jws h GLN 628 N 0.68 0.47 -0.76 3.56 4.15 -1.01 -2.55 115.11 119.66 3jws h GLN 628 Ca 0.11 -0.10 -0.06 0.00 0.77 0.00 0.00 58.65 59.37 3jws h GLN 628 Cb 0.66 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.25 3jws h GLN 628 CO 0.05 0.52 0.24 0.00 -1.93 0.00 0.00 178.83 177.71 3jws h ALA 629 N 0.93 1.00 -0.52 3.38 0.00 -1.35 -2.81 119.26 119.89 3jws h ALA 629 Ca 0.10 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.87 3jws h ALA 629 Cb 0.24 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 3jws h ALA 629 CO -0.00 0.67 0.14 1.25 0.00 0.00 0.00 179.25 181.31 3jws h LEU 630 N 1.13 0.09 -0.02 0.00 5.85 -0.86 -1.05 115.31 120.45 3jws h LEU 630 Ca 0.25 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 3jws h LEU 630 Cb 0.30 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 3jws h LEU 630 CO -0.01 0.07 0.01 0.58 -0.34 0.00 0.00 178.44 178.75 3jws h VAL 631 N 0.30 1.10 -0.51 1.05 2.07 -1.26 -2.37 116.25 116.62 3jws h VAL 631 Ca 0.26 -0.28 0.09 0.00 0.82 0.00 0.00 66.70 67.59 3jws h VAL 631 Cb 0.33 1.25 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 3jws h VAL 631 CO -0.30 0.08 0.09 -0.33 0.02 0.00 0.00 177.57 177.12 3jws h GLU 632 N -0.09 0.21 -0.78 1.57 4.39 -1.20 -0.23 114.58 118.46 3jws h GLU 632 Ca 0.01 -0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.78 3jws h GLU 632 Cb 0.11 -0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.65 3jws h GLU 632 CO -0.00 0.14 0.44 0.82 -1.16 0.00 0.00 179.01 179.25 3jws h ILE 633 N 0.22 0.93 0.00 3.13 2.04 -1.10 -0.76 117.51 121.97 3jws h ILE 633 Ca 0.26 -0.26 -0.14 0.00 1.00 0.00 0.00 64.86 65.72 3jws h ILE 633 Cb 0.36 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 3jws h ILE 633 CO -0.35 0.14 -0.67 0.78 0.00 0.00 0.00 178.15 178.05 3jws h ASN 634 N 0.76 0.00 -0.73 1.72 2.35 -0.80 -1.76 115.58 117.13 3jws h ASN 634 Ca 0.37 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.10 3jws h ASN 634 Cb 0.30 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 3jws h ASN 634 CO -0.23 0.67 0.39 0.40 -1.65 0.00 0.00 177.43 177.01 3jws h ILE 635 N 0.00 1.23 0.00 2.81 2.04 -0.68 -2.71 117.51 120.20 3jws h ILE 635 Ca -0.01 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.27 3jws h ILE 635 Cb 1.31 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 3jws h ILE 635 CO 0.09 0.25 0.00 0.00 0.00 0.00 0.00 178.15 178.49 3jws h ALA 636 N 1.19 1.00 0.00 1.87 0.00 -0.47 -1.25 119.26 121.60 3jws h ALA 636 Ca 0.25 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 3jws h ALA 636 Cb 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3jws h ALA 636 CO -0.04 0.00 -0.57 0.28 0.00 0.00 0.00 179.25 178.92 3jws h VAL 637 N 0.00 1.20 -0.54 0.00 2.07 -1.27 -3.24 116.25 114.48 3jws h VAL 637 Ca 0.00 -2.11 -0.02 0.00 0.82 0.00 0.00 66.70 65.39 3jws h VAL 637 Cb 0.49 2.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 3jws h VAL 637 CO 0.00 0.41 0.27 -0.07 0.02 0.00 0.00 177.57 178.19 3jws h LEU 638 N -1.00 0.69 -0.70 2.57 3.38 -1.38 -2.27 115.31 116.61 3jws h LEU 638 Ca -0.15 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.71 3jws h LEU 638 Cb 1.04 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 3jws h LEU 638 CO -0.09 0.62 0.46 0.22 0.09 0.00 0.00 178.44 179.74 3jws h TYR 639 N 0.72 0.88 0.02 1.13 3.20 -1.42 -1.86 116.97 119.64 3jws h TYR 639 Ca 0.19 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 3jws h TYR 639 Cb 0.10 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.07 3jws h TYR 639 CO -0.01 0.55 -0.01 0.77 -1.64 0.00 0.00 178.16 177.82 3jws h SER 640 N 0.95 -0.03 -0.61 -2.11 0.02 -1.53 0.07 113.55 110.30 3jws h SER 640 Ca 0.26 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3jws h SER 640 Cb -0.11 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 3jws h SER 640 CO -0.06 0.17 0.38 -0.26 -1.14 0.00 0.00 176.83 175.93 3jws h PHE 641 N -0.23 0.80 -0.37 3.45 -1.00 -1.41 -1.65 116.94 116.53 3jws h PHE 641 Ca -0.00 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.65 3jws h PHE 641 Cb 0.22 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.50 3jws h PHE 641 CO -0.01 0.54 -0.30 1.96 -1.61 0.00 0.00 178.31 178.89 3jws h GLN 642 N 0.83 0.79 -0.17 1.51 4.20 -1.23 0.37 115.11 121.41 3jws h GLN 642 Ca 0.22 -0.36 -0.07 0.00 0.06 0.00 0.00 58.65 58.50 3jws h GLN 642 Cb -0.04 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3jws h GLN 642 CO -0.04 0.99 -0.21 0.77 -0.67 0.00 0.00 178.83 179.67 3jws h SER 643 N 0.67 0.28 -0.27 1.46 0.02 -0.81 -2.26 113.55 112.64 3jws h SER 643 Ca 0.08 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3jws h SER 643 Cb 0.84 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.30 3jws h SER 643 CO 0.07 0.50 0.00 0.47 -1.14 0.00 0.00 176.83 176.74 3jws n ASP 644 N -4.19 1.95 -3.96 3.07 9.92 -0.64 -4.95 116.55 117.75 3jws n ASP 644 Ca -0.01 -1.85 -0.29 0.00 -0.53 0.00 0.00 54.79 52.12 3jws n ASP 644 Cb 0.34 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.64 3jws n ASP 644 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3jws n LYS 645 N 0.53 -4.31 -4.08 -1.24 4.01 -0.80 -4.98 118.16 107.29 3jws n LYS 645 Ca 0.15 0.50 -0.35 0.00 -0.51 0.00 0.00 58.31 58.10 3jws n LYS 645 Cb 0.34 -5.10 -0.13 0.00 -0.51 0.00 0.00 35.03 29.64 3jws n LYS 645 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3jws s VAL 646 N -3.53 3.94 0.14 -0.18 1.01 0.05 -4.36 120.40 117.47 3jws s VAL 646 Ca 0.40 -0.32 -0.34 0.00 0.00 0.00 0.00 61.98 61.71 3jws s VAL 646 Cb -0.21 -2.78 -0.15 0.00 0.00 0.00 0.00 36.38 33.24 3jws s VAL 646 CO 0.86 0.43 1.37 0.41 0.00 0.00 0.00 175.10 178.17 3jws n THR 647 N 4.23 0.31 -3.64 3.92 -1.04 -0.33 -4.30 114.28 113.43 3jws n THR 647 Ca -0.17 -0.08 -0.14 0.00 -2.04 0.00 0.00 64.05 61.62 3jws n THR 647 Cb 0.52 -1.09 -0.06 0.00 -1.82 0.00 0.00 70.33 67.88 3jws n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3jws s ILE 648 N 0.38 0.04 -0.03 12.58 2.07 -1.26 -4.45 121.20 130.53 3jws s ILE 648 Ca 0.79 -0.36 0.06 0.00 -1.41 0.00 0.00 60.65 59.73 3jws s ILE 648 Cb -0.83 -0.92 -0.01 0.00 0.13 0.00 0.00 42.46 40.84 3jws s ILE 648 CO 0.46 -0.20 -0.22 0.54 -1.91 0.00 0.00 174.94 173.61 3jws s VAL 649 N -2.17 1.74 0.67 4.00 0.11 -0.37 -5.00 120.40 119.38 3jws s VAL 649 Ca -0.07 -0.93 -0.11 0.00 -2.93 0.00 0.00 61.98 57.94 3jws s VAL 649 Cb -0.01 -1.46 -0.01 0.00 -1.53 0.00 0.00 36.38 33.37 3jws s VAL 649 CO 0.00 0.49 1.05 1.51 -3.33 0.00 0.00 175.10 174.82 3jws s ASP 650 N -0.38 5.72 0.49 3.54 -4.77 -1.26 -0.23 116.67 119.78 3jws s ASP 650 Ca 0.05 1.48 0.20 0.00 -3.30 0.00 0.00 52.55 50.98 3jws s ASP 650 Cb -0.10 -2.42 1.26 0.00 -1.09 0.00 0.00 42.92 40.57 3jws s ASP 650 CO 0.00 -1.21 2.06 1.12 0.70 0.00 0.00 175.17 177.85 3jws h HIS 651 N -0.56 0.00 0.11 2.11 2.07 -1.98 -1.43 115.15 115.47 3jws h HIS 651 Ca -0.44 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.07 3jws h HIS 651 Cb 1.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 3jws h HIS 651 CO 0.62 0.12 -0.05 0.45 -3.07 0.00 0.00 177.93 176.00 3jws h HIS 652 N 0.00 -0.13 -0.41 6.12 3.86 -1.97 -1.98 115.15 120.64 3jws h HIS 652 Ca -0.00 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 3jws h HIS 652 Cb 0.25 0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.75 3jws h HIS 652 CO 0.00 0.22 0.15 1.03 0.86 0.00 0.00 177.93 180.19 3jws h SER 653 N -0.50 0.58 -0.48 2.45 0.87 -1.91 -1.21 113.55 113.35 3jws h SER 653 Ca -0.01 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.33 3jws h SER 653 Cb 0.41 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 3jws h SER 653 CO 0.02 0.60 0.17 0.00 -0.53 0.00 0.00 176.83 177.10 3jws h ALA 654 N 1.00 0.62 -0.31 6.23 0.00 -1.32 -0.62 119.26 124.87 3jws h ALA 654 Ca 0.14 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 3jws h ALA 654 Cb 0.21 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3jws h ALA 654 CO -0.01 0.26 -0.48 1.79 0.00 0.00 0.00 179.25 180.81 3jws h THR 655 N 0.64 1.28 -0.37 0.00 1.35 -1.27 -1.12 112.91 113.42 3jws h THR 655 Ca 0.16 -1.67 0.07 0.00 -0.55 0.00 0.00 66.41 64.42 3jws h THR 655 Cb 0.23 1.55 -0.06 0.00 -1.73 0.00 0.00 68.15 68.14 3jws h THR 655 CO -0.01 0.54 -0.01 -0.08 -0.25 0.00 0.00 175.52 175.71 3jws h GLU 656 N 0.67 0.08 -0.91 4.72 4.81 -1.00 -1.66 114.58 121.30 3jws h GLU 656 Ca 0.03 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.29 3jws h GLU 656 Cb 1.07 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.38 3jws h GLU 656 CO 0.11 0.05 0.59 0.77 -0.73 0.00 0.00 179.01 179.80 3jws h SER 657 N 0.08 1.00 -0.77 1.04 0.02 -0.89 -2.33 113.55 111.71 3jws h SER 657 Ca 0.18 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 3jws h SER 657 Cb 0.25 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 3jws h SER 657 CO -0.31 0.69 0.43 0.15 -1.14 0.00 0.00 176.83 176.65 3jws h PHE 658 N 1.16 1.05 -0.29 3.45 3.57 -0.82 0.14 116.94 125.19 3jws h PHE 658 Ca 0.36 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.85 3jws h PHE 658 Cb -0.03 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 38.35 3jws h PHE 658 CO -0.01 0.73 0.16 0.82 -2.23 0.00 0.00 178.31 177.77 3jws h ILE 659 N 1.06 1.02 -0.87 1.41 1.08 -0.94 0.20 117.51 120.47 3jws h ILE 659 Ca 0.27 -0.11 0.08 0.00 -0.39 0.00 0.00 64.86 64.70 3jws h ILE 659 Cb 0.02 0.66 -0.07 0.00 -3.07 0.00 0.00 36.82 34.35 3jws h ILE 659 CO -0.05 0.06 0.53 0.50 -0.69 0.00 0.00 178.15 178.50 3jws h LYS 660 N 0.33 0.91 0.12 2.37 3.64 -1.05 -1.31 116.57 121.59 3jws h LYS 660 Ca 0.12 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 3jws h LYS 660 Cb 0.01 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 3jws h LYS 660 CO -0.07 0.60 -0.06 1.25 -2.27 0.00 0.00 179.45 178.90 3jws h HIS 661 N 0.93 -0.16 -0.61 1.91 2.76 -0.14 -1.00 115.15 118.86 3jws h HIS 661 Ca 0.39 -0.00 0.12 0.00 -2.20 0.00 0.00 60.37 58.68 3jws h HIS 661 Cb 0.25 0.05 -0.11 0.00 1.55 0.00 0.00 27.41 29.15 3jws h HIS 661 CO -0.04 0.08 -0.12 0.52 -1.30 0.00 0.00 177.93 177.08 3jws h MET 662 N -0.38 0.02 -0.55 5.26 2.86 -0.40 0.17 114.93 121.91 3jws h MET 662 Ca -0.02 -0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.65 3jws h MET 662 Cb 0.31 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 3jws h MET 662 CO 0.03 0.02 0.32 0.93 1.06 0.00 0.00 176.91 179.27 3jws h GLU 663 N 0.02 0.62 0.05 1.72 5.08 -1.04 0.14 114.58 121.17 3jws h GLU 663 Ca 0.30 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.64 3jws h GLU 663 Cb 0.47 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3jws h GLU 663 CO -0.60 0.41 -0.13 -0.91 -1.00 0.00 0.00 179.01 176.77 3jws h ASN 664 N 0.63 -0.36 -0.85 1.42 2.35 -0.19 -2.18 115.58 116.40 3jws h ASN 664 Ca 0.23 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 56.00 3jws h ASN 664 Cb 0.06 0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 3jws h ASN 664 CO -0.12 -0.19 0.41 -0.33 -1.65 0.00 0.00 177.43 175.56 3jws h GLU 665 N -0.24 1.23 -0.43 0.81 4.39 -0.33 0.16 114.58 120.17 3jws h GLU 665 Ca 0.03 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 3jws h GLU 665 Cb 0.27 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 3jws h GLU 665 CO -0.09 0.94 0.23 1.88 -1.16 0.00 0.00 179.01 180.80 3jws h TYR 666 N 1.21 0.59 -0.05 4.33 -1.99 -0.63 0.17 116.97 120.61 3jws h TYR 666 Ca 0.29 -0.02 -0.17 0.00 2.00 0.00 0.00 58.73 60.83 3jws h TYR 666 Cb 0.11 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 38.65 3jws h TYR 666 CO 0.01 0.46 -0.72 0.07 -0.00 0.00 0.00 178.16 177.98 3jws h ARG 667 N 0.55 0.28 0.00 4.88 0.11 -1.14 -2.53 114.38 116.53 3jws h ARG 667 Ca 0.15 -0.23 -0.12 0.00 0.10 0.00 0.00 59.98 59.88 3jws h ARG 667 Cb 0.07 0.05 -0.02 0.00 1.11 0.00 0.00 29.97 31.18 3jws h ARG 667 CO -0.02 0.89 -1.72 0.00 0.10 0.00 0.00 179.97 179.22 3jws n ARG 669 N -2.61 2.91 -1.00 0.00 0.63 0.54 -5.03 116.66 112.10 3jws n ARG 669 Ca -0.10 -0.06 -0.00 0.00 -0.92 0.00 0.00 57.85 56.77 3jws n ARG 669 Cb 0.75 -0.37 -0.00 0.00 0.45 0.00 0.00 32.46 33.29 3jws n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3jws n GLY 670 N 0.43 0.48 0.00 5.14 0.00 -0.93 -4.60 105.19 105.71 3jws n GLY 670 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3jws n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jws n GLY 671 N -2.95 -2.90 3.11 -0.02 0.00 -1.13 -0.07 105.19 101.23 3jws n GLY 671 Ca -0.00 -1.32 0.02 0.00 0.00 0.00 0.00 46.02 44.72 3jws n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jws s PRO 673 N 2.81 4.29 -0.09 0.00 0.04 -1.26 -4.60 135.00 136.20 3jws s PRO 673 Ca 0.19 2.13 -0.07 0.00 0.04 0.00 0.00 61.00 63.30 3jws s PRO 673 Cb -0.15 -3.27 0.03 0.00 0.04 0.00 0.00 34.50 31.15 3jws s PRO 673 CO -0.20 -0.49 0.22 0.00 0.04 0.00 0.00 177.00 176.56 3jws s ALA 674 N 1.28 -0.53 -0.47 8.56 0.00 -0.38 -4.27 121.76 125.95 3jws s ALA 674 Ca 0.66 0.73 -0.11 0.00 0.00 0.00 0.00 51.96 53.24 3jws s ALA 674 Cb -0.38 -0.45 0.10 0.00 0.00 0.00 0.00 23.12 22.40 3jws s ALA 674 CO 0.30 -0.13 0.36 0.34 0.00 0.00 0.00 175.76 176.63 3jws s ASP 675 N 0.53 5.85 0.24 0.00 3.68 0.10 -3.47 116.67 123.60 3jws s ASP 675 Ca -0.03 -1.69 -0.04 0.00 2.13 0.00 0.00 52.55 52.91 3jws s ASP 675 Cb -0.05 -2.07 0.40 0.00 -1.45 0.00 0.00 42.92 39.75 3jws s ASP 675 CO -0.03 -0.68 1.80 -0.25 0.13 0.00 0.00 175.17 176.15 3jws h TRP 676 N 8.57 0.81 -0.78 -5.34 7.01 -1.90 0.62 115.95 124.94 3jws h TRP 676 Ca -0.24 0.03 0.11 0.00 2.11 0.00 0.00 58.89 60.90 3jws h TRP 676 Cb 1.09 -0.24 -0.05 0.00 -2.10 0.00 0.00 29.16 27.85 3jws h TRP 676 CO 0.65 0.31 0.51 0.28 -2.79 0.00 0.00 178.44 177.41 3jws h VAL 677 N 0.75 0.90 0.06 2.65 2.07 -1.93 -1.93 116.25 118.81 3jws h VAL 677 Ca 0.40 -0.22 -0.33 0.00 0.82 0.00 0.00 66.70 67.36 3jws h VAL 677 Cb 0.39 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 3jws h VAL 677 CO -0.26 0.12 -1.90 0.79 0.02 0.00 0.00 177.57 176.34 3jws n TRP 678 N -4.51 1.03 -0.16 1.57 7.02 -0.63 -4.47 117.44 117.29 3jws n TRP 678 Ca 0.14 0.29 -0.10 0.00 -1.02 0.00 0.00 57.50 56.80 3jws n TRP 678 Cb 0.38 -1.16 -0.00 0.00 -2.42 0.00 0.00 31.31 28.10 3jws n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3jws h ILE 679 N 0.03 1.27 -2.92 -0.99 1.08 -0.57 -3.43 117.51 111.97 3jws h ILE 679 Ca -0.37 -1.17 -0.54 0.00 -0.39 0.00 0.00 64.86 62.39 3jws h ILE 679 Cb 2.03 1.07 0.01 0.00 -3.07 0.00 0.00 36.82 36.86 3jws h ILE 679 CO 0.08 0.40 0.81 -0.69 -0.69 0.00 0.00 178.15 178.06 3jws s VAL 680 N -4.88 3.57 0.77 1.67 1.01 -0.76 -4.92 120.40 116.85 3jws s VAL 680 Ca -0.12 1.02 -0.14 0.00 0.00 0.00 0.00 61.98 62.73 3jws s VAL 680 Cb 0.11 -3.66 0.06 0.00 0.00 0.00 0.00 36.38 32.90 3jws s VAL 680 CO 0.83 0.02 1.22 -2.84 0.00 0.00 0.00 175.10 174.34 3jws s PRO 681 N 2.04 1.86 0.00 2.72 0.02 -1.26 -4.90 135.00 135.48 3jws s PRO 681 Ca 0.65 1.82 0.23 0.00 0.02 0.00 0.00 61.00 63.72 3jws s PRO 681 Cb -0.33 -1.79 1.39 0.00 0.02 0.00 0.00 34.50 33.79 3jws s PRO 681 CO 0.28 -2.07 1.84 -0.35 -0.33 0.00 0.00 177.00 176.38 3jws n PRO 682 N -2.97 0.91 -4.10 5.54 -0.04 -1.26 -4.28 135.00 128.79 3jws n PRO 682 Ca 0.14 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.48 3jws n PRO 682 Cb 0.50 -1.40 -0.11 0.00 -0.04 0.00 0.00 33.50 32.45 3jws n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jws s MET 683 N -2.00 0.64 -1.36 0.54 0.23 -1.26 -4.91 119.30 111.19 3jws s MET 683 Ca 0.35 -0.99 -0.08 0.00 -1.03 0.00 0.00 55.69 53.95 3jws s MET 683 Cb 0.16 -0.25 0.05 0.00 -1.53 0.00 0.00 34.83 33.26 3jws s MET 683 CO 0.27 0.02 0.51 0.43 -2.03 0.00 0.00 175.02 174.22 3jws n SER 684 N 0.86 -4.47 -0.29 -1.18 7.64 -1.26 -4.86 113.62 110.06 3jws n SER 684 Ca -0.19 -0.33 -0.08 0.00 1.01 0.00 0.00 58.87 59.28 3jws n SER 684 Cb 0.57 -3.66 -0.07 0.00 -1.01 0.00 0.00 64.21 60.04 3jws n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3jws n GLY 685 N -1.27 -2.52 0.00 0.23 0.00 -1.26 -2.07 105.19 98.30 3jws n GLY 685 Ca -0.05 0.96 0.13 0.00 0.00 0.00 0.00 46.02 47.05 3jws n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3jws n SER 686 N -4.60 0.00 -0.43 1.61 3.41 -1.26 -1.94 113.62 110.41 3jws n SER 686 Ca 0.01 0.13 0.13 0.00 -0.26 0.00 0.00 58.87 58.89 3jws n SER 686 Cb 0.18 -0.37 0.53 0.00 -0.26 0.00 0.00 64.21 64.30 3jws n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3jws n ILE 687 N -1.37 0.05 -3.99 -1.33 -5.35 -0.88 -4.82 119.36 101.68 3jws n ILE 687 Ca 0.10 -0.24 -0.32 0.00 -0.27 0.00 0.00 62.75 62.02 3jws n ILE 687 Cb 0.24 0.35 -0.06 0.00 -1.74 0.00 0.00 39.64 38.44 3jws n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3jws s THR 688 N -1.95 5.06 0.26 7.28 -4.23 -0.82 -5.03 115.64 116.21 3jws s THR 688 Ca 0.37 -0.40 0.22 0.00 -1.18 0.00 0.00 61.69 60.71 3jws s THR 688 Cb 0.20 -3.39 0.20 0.00 1.34 0.00 0.00 72.50 70.85 3jws s THR 688 CO 0.32 0.25 1.87 1.55 -0.54 0.00 0.00 174.62 178.07 3jws h PRO 689 N 3.63 0.00 0.00 3.99 0.13 -1.87 -3.02 132.00 134.85 3jws h PRO 689 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 3jws h PRO 689 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3jws h PRO 689 CO 0.68 0.26 -0.20 -0.39 -0.23 0.00 0.00 178.00 178.12 3jws h VAL 690 N 0.00 0.92 -0.81 1.56 -1.51 -1.89 -2.52 116.25 112.00 3jws h VAL 690 Ca -0.00 -0.72 0.08 0.00 -1.23 0.00 0.00 66.70 64.82 3jws h VAL 690 Cb 0.65 1.42 -0.05 0.00 -2.13 0.00 0.00 31.29 31.18 3jws h VAL 690 CO 0.03 0.19 0.53 0.15 -1.23 0.00 0.00 177.57 177.25 3jws h PHE 691 N 0.00 0.87 -0.22 5.19 3.57 -1.72 -1.63 116.94 123.00 3jws h PHE 691 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3jws h PHE 691 Cb 0.40 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.86 3jws h PHE 691 CO 0.00 0.44 0.00 0.72 -2.23 0.00 0.00 178.31 177.24 3jws n HIS 692 N -4.50 0.28 -3.52 0.41 8.25 -0.95 -4.85 115.22 110.34 3jws n HIS 692 Ca 0.13 -0.14 -0.39 0.00 -0.26 0.00 0.00 57.72 57.06 3jws n HIS 692 Cb 0.26 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.26 3jws n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3jws s GLN 693 N -1.72 3.77 0.35 -0.41 2.00 -0.61 -1.09 119.66 121.94 3jws s GLN 693 Ca 0.34 -0.39 -0.28 0.00 -2.00 0.00 0.00 55.36 53.03 3jws s GLN 693 Cb 0.19 -3.72 -0.10 0.00 0.80 0.00 0.00 33.01 30.17 3jws s GLN 693 CO 0.28 -0.32 1.30 -1.21 -0.50 0.00 0.00 175.29 174.84 3jws s GLU 694 N 1.82 4.28 0.00 1.67 2.02 -0.58 -4.99 118.70 122.92 3jws s GLU 694 Ca 0.08 2.19 0.03 0.00 0.02 0.00 0.00 54.97 57.29 3jws s GLU 694 Cb -0.16 -3.00 -0.01 0.00 0.10 0.00 0.00 34.13 31.05 3jws s GLU 694 CO 0.11 -0.24 -0.08 -1.64 0.02 0.00 0.00 175.26 173.42 3jws s MET 695 N -1.89 0.65 -0.19 1.61 -1.94 -1.26 -4.62 119.30 111.66 3jws s MET 695 Ca 0.50 -0.37 -0.07 0.00 -1.71 0.00 0.00 55.69 54.05 3jws s MET 695 Cb -0.39 -0.61 -0.04 0.00 2.01 0.00 0.00 34.83 35.80 3jws s MET 695 CO 0.52 0.16 0.06 -0.51 -0.01 0.00 0.00 175.02 175.23 3jws s LEU 696 N -0.41 3.74 -0.19 -0.03 1.43 -1.26 -4.89 118.68 117.07 3jws s LEU 696 Ca 0.02 0.04 -0.08 0.00 -1.03 0.00 0.00 54.13 53.07 3jws s LEU 696 Cb -0.04 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 3jws s LEU 696 CO -0.00 0.15 0.09 0.21 0.23 0.00 0.00 176.35 177.03 3jws s ASN 697 N 0.49 5.80 0.17 2.29 3.04 -1.23 -1.25 114.94 124.25 3jws s ASN 697 Ca 0.03 0.11 -0.21 0.00 0.04 0.00 0.00 52.86 52.83 3jws s ASN 697 Cb -0.13 -2.01 0.05 0.00 -1.54 0.00 0.00 41.25 37.63 3jws s ASN 697 CO 0.01 0.16 0.56 -0.72 -3.04 0.00 0.00 177.10 174.07 3jws s TYR 698 N 0.47 -0.39 -0.30 0.43 -0.85 -1.26 -4.96 117.35 110.50 3jws s TYR 698 Ca 0.05 0.12 -0.07 0.00 -0.52 0.00 0.00 57.07 56.65 3jws s TYR 698 Cb -0.12 0.50 0.01 0.00 0.38 0.00 0.00 41.96 42.72 3jws s TYR 698 CO 0.00 -0.87 0.09 1.03 -1.52 0.00 0.00 175.55 174.28 3jws s ARG 699 N -3.79 3.14 0.12 -3.49 0.52 -1.26 -4.81 118.95 109.38 3jws s ARG 699 Ca 0.03 -0.83 0.07 0.00 -0.52 0.00 0.00 55.73 54.49 3jws s ARG 699 Cb -0.01 -3.39 -0.04 0.00 0.52 0.00 0.00 34.95 32.03 3jws s ARG 699 CO -0.10 -0.43 -0.08 -0.51 0.02 0.00 0.00 175.30 174.20 3jws s LEU 700 N 1.52 3.11 0.11 2.53 1.43 -1.26 -2.90 118.68 123.22 3jws s LEU 700 Ca 0.03 -0.39 0.10 0.00 -1.03 0.00 0.00 54.13 52.83 3jws s LEU 700 Cb -0.17 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 3jws s LEU 700 CO 0.03 0.15 -0.23 0.28 0.23 0.00 0.00 176.35 176.81 3jws s THR 701 N -1.36 2.51 0.63 5.49 -1.32 -1.26 -4.20 115.64 116.13 3jws s THR 701 Ca 0.23 -1.61 -0.18 0.00 -1.21 0.00 0.00 61.69 58.93 3jws s THR 701 Cb -0.11 -2.12 -0.04 0.00 -1.51 0.00 0.00 72.50 68.73 3jws s THR 701 CO 0.15 0.12 0.92 -2.65 -2.21 0.00 0.00 174.62 170.96 3jws n PRO 702 N 0.96 0.76 -3.90 7.08 -0.02 -1.26 -5.01 135.00 133.61 3jws n PRO 702 Ca -0.17 0.30 -0.09 0.00 -2.02 0.00 0.00 63.50 61.53 3jws n PRO 702 Cb 0.53 -2.15 -0.08 0.00 -0.02 0.00 0.00 33.50 31.78 3jws n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3jws s SER 703 N -1.35 0.17 -0.16 2.55 1.04 -0.84 -3.75 113.70 111.36 3jws s SER 703 Ca 0.75 -0.65 -0.12 0.00 0.48 0.00 0.00 55.95 56.42 3jws s SER 703 Cb -0.40 0.30 -0.05 0.00 0.10 0.00 0.00 66.02 65.98 3jws s SER 703 CO 0.48 -0.66 0.22 -0.36 0.98 0.00 0.00 173.24 173.90 3jws s PHE 704 N -3.55 3.47 0.19 5.02 0.40 -1.26 -0.87 117.98 121.37 3jws s PHE 704 Ca 0.03 0.51 0.08 0.00 -0.60 0.00 0.00 56.93 56.96 3jws s PHE 704 Cb 0.04 -2.23 -0.04 0.00 0.51 0.00 0.00 43.02 41.30 3jws s PHE 704 CO -0.09 0.33 -0.17 -1.21 0.70 0.00 0.00 175.22 174.78 3jws s GLU 705 N 0.19 1.32 0.62 0.44 0.41 0.70 -4.94 118.70 117.45 3jws s GLU 705 Ca 0.14 -1.50 -0.14 0.00 -0.41 0.00 0.00 54.97 53.06 3jws s GLU 705 Cb -0.12 -1.29 -0.03 0.00 -1.78 0.00 0.00 34.13 30.91 3jws s GLU 705 CO 0.02 0.24 1.05 0.71 -0.49 0.00 0.00 175.26 176.79 3jws s TYR 706 N -2.41 3.15 0.04 1.61 1.51 -1.26 -0.44 117.35 119.56 3jws s TYR 706 Ca 0.19 1.45 -0.08 0.00 -1.01 0.00 0.00 57.07 57.63 3jws s TYR 706 Cb -0.04 -2.91 -0.00 0.00 -0.11 0.00 0.00 41.96 38.90 3jws s TYR 706 CO 0.07 -1.02 0.15 1.14 -1.11 0.00 0.00 175.55 174.79 3jws s GLN 707 N -4.51 0.67 0.58 -0.62 -2.07 -1.26 -4.77 119.66 107.67 3jws s GLN 707 Ca 0.60 -0.72 -0.20 0.00 -1.82 0.00 0.00 55.36 53.22 3jws s GLN 707 Cb -0.14 0.27 -0.04 0.00 -1.09 0.00 0.00 33.01 32.02 3jws s GLN 707 CO 0.44 -0.19 1.33 -2.14 -1.32 0.00 0.00 175.29 173.41 3jws s PRO 708 N -2.74 2.94 0.19 9.60 0.02 -1.26 -4.90 135.00 138.84 3jws s PRO 708 Ca -0.04 2.15 -0.33 0.00 0.02 0.00 0.00 61.00 62.80 3jws s PRO 708 Cb -0.00 -2.10 -0.14 0.00 0.02 0.00 0.00 34.50 32.28 3jws s PRO 708 CO -0.05 -1.32 1.52 -0.25 -0.33 0.00 0.00 177.00 176.57 3jws n ASP 709 N -1.35 2.98 0.26 2.53 8.00 -1.26 -4.89 116.55 122.82 3jws n ASP 709 Ca 0.12 1.10 0.08 0.00 0.71 0.00 0.00 54.79 56.81 3jws n ASP 709 Cb 0.46 -1.43 0.64 0.00 -0.02 0.00 0.00 41.12 40.77 3jws n ASP 709 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3jws h PRO 710 N 5.33 0.00 0.00 -0.24 0.13 -1.91 -2.66 132.00 132.65 3jws h PRO 710 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3jws h PRO 710 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3jws h PRO 710 CO 0.84 0.02 0.00 0.11 -0.23 0.00 0.00 178.00 178.74 3jws h TRP 711 N 0.00 0.00 0.00 1.56 0.09 -1.95 0.15 115.95 115.80 3jws h TRP 711 Ca -0.00 0.00 -0.24 0.00 0.09 0.00 0.00 58.89 58.74 3jws h TRP 711 Cb 0.03 0.00 -0.04 0.00 0.08 0.00 0.00 29.16 29.23 3jws h TRP 711 CO 0.00 0.00 -1.52 -0.91 0.09 0.00 0.00 178.44 176.10 3jws h ASN 712 N 0.00 0.00 0.10 0.11 2.35 -1.86 -3.40 115.58 112.88 3jws h ASN 712 Ca 0.00 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.49 3jws h ASN 712 Cb 0.24 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 3jws h ASN 712 CO 0.00 0.86 -1.34 0.74 -1.65 0.00 0.00 177.43 176.04 3jws h THR 713 N 0.00 1.04 -2.29 2.81 2.02 -1.42 -3.48 112.91 111.58 3jws h THR 713 Ca -0.22 -2.37 -0.61 0.00 0.77 0.00 0.00 66.41 63.98 3jws h THR 713 Cb 1.85 2.68 0.07 0.00 -1.74 0.00 0.00 68.15 71.02 3jws h THR 713 CO 0.07 0.66 0.54 1.57 0.37 0.00 0.00 175.52 178.73 3jws n HIS 714 N -4.00 1.88 -3.66 3.16 -0.00 0.46 -4.98 115.22 108.08 3jws n HIS 714 Ca -0.25 0.49 -0.38 0.00 -0.00 0.00 0.00 57.72 57.58 3jws n HIS 714 Cb 0.86 -2.41 -0.12 0.00 -0.00 0.00 0.00 29.99 28.32 3jws n HIS 714 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 3jws s VAL 715 N 0.15 4.72 -2.00 3.57 -7.23 -1.26 -5.02 120.40 113.32 3jws s VAL 715 Ca 0.73 -0.23 0.29 0.00 -1.81 0.00 0.00 61.98 60.96 3jws s VAL 715 Cb -0.74 -3.33 0.82 0.00 0.56 0.00 0.00 36.38 33.68 3jws s VAL 715 CO 0.48 0.16 2.06 0.79 -0.31 0.00 0.00 175.10 178.27