#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x6j h SER 292 N 0.00 0.00 0.33 0.00 0.02 -2.08 -3.38 113.55 108.45 2x6j h SER 292 Ca 0.00 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.63 2x6j h SER 292 Cb 0.00 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 2x6j h SER 292 CO 0.00 0.33 -1.92 -0.38 -1.14 0.00 0.00 176.83 173.71 2x6j n ILE 293 N -3.31 1.55 0.27 3.27 5.41 -1.26 -4.14 119.36 121.14 2x6j n ILE 293 Ca -0.03 -0.81 0.16 0.00 1.00 0.00 0.00 62.75 63.07 2x6j n ILE 293 Cb 0.10 -0.87 0.65 0.00 -0.71 0.00 0.00 39.64 38.81 2x6j n ILE 293 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 176.55 176.63 2x6j h ARG 294 N 0.00 0.00 -0.27 0.38 0.11 -2.03 -3.20 114.38 109.38 2x6j h ARG 294 Ca -0.37 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.65 2x6j h ARG 294 Cb 2.09 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 33.16 2x6j h ARG 294 CO 0.06 0.03 -0.07 0.22 0.10 0.00 0.00 179.97 180.31 2x6j h ASP 295 N 0.00 0.52 -0.66 0.08 1.82 -1.74 -2.98 116.42 113.46 2x6j h ASP 295 Ca -0.00 -0.37 0.02 0.00 -0.39 0.00 0.00 57.03 56.30 2x6j h ASP 295 Cb 0.55 -0.14 -0.04 0.00 0.68 0.00 0.00 39.33 40.38 2x6j h ASP 295 CO 0.00 0.77 0.42 -0.61 -1.61 0.00 0.00 179.24 178.21 2x6j h GLN 296 N 0.27 0.80 -0.20 0.28 5.75 -1.77 0.28 115.11 120.52 2x6j h GLN 296 Ca 0.07 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.44 2x6j h GLN 296 Cb 0.54 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 2x6j h GLN 296 CO 0.03 0.53 -0.20 1.37 -2.65 0.00 0.00 178.83 177.91 2x6j h LEU 297 N 0.83 0.34 0.34 -2.39 -0.00 -1.72 0.15 115.31 112.85 2x6j h LEU 297 Ca 0.26 -0.09 -0.02 0.00 -0.00 0.00 0.00 57.88 58.03 2x6j h LEU 297 Cb -0.01 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 40.57 2x6j h LEU 297 CO -0.09 0.56 -0.16 0.45 -0.00 0.00 0.00 178.44 179.19 2x6j h HIS 298 N 0.31 -0.42 -0.38 0.17 3.86 -1.02 -2.35 115.15 115.32 2x6j h HIS 298 Ca 0.05 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2x6j h HIS 298 Cb 0.54 0.14 -0.02 0.00 1.06 0.00 0.00 27.41 29.13 2x6j h HIS 298 CO 0.01 -0.13 0.22 1.79 0.86 0.00 0.00 177.93 180.67 2x6j h THR 299 N -0.68 1.12 -0.43 2.45 1.35 -0.27 -1.80 112.91 114.64 2x6j h THR 299 Ca -0.05 -0.29 -0.09 0.00 -0.55 0.00 0.00 66.41 65.44 2x6j h THR 299 Cb 0.48 0.59 -0.01 0.00 -1.73 0.00 0.00 68.15 67.47 2x6j h THR 299 CO 0.08 0.13 -0.07 -0.29 -0.25 0.00 0.00 175.52 175.12 2x6j h ILE 300 N 0.53 1.27 -0.10 6.82 -0.00 -0.70 -2.83 117.51 122.49 2x6j h ILE 300 Ca 0.14 -1.15 -0.13 0.00 -0.00 0.00 0.00 64.86 63.72 2x6j h ILE 300 Cb 0.00 1.13 -0.01 0.00 -0.00 0.00 0.00 36.82 37.94 2x6j h ILE 300 CO -0.02 0.39 -0.51 -0.37 -0.00 0.00 0.00 178.15 177.64 2x6j h VAL 301 N 0.64 1.35 -0.06 2.19 -1.51 -0.78 0.01 116.25 118.09 2x6j h VAL 301 Ca 0.11 -1.76 -0.18 0.00 -1.23 0.00 0.00 66.70 63.65 2x6j h VAL 301 Cb 0.59 1.83 -0.01 0.00 -2.13 0.00 0.00 31.29 31.57 2x6j h VAL 301 CO 0.04 0.52 -0.75 0.10 -1.23 0.00 0.00 177.57 176.25 2x6j h TYR 302 N 0.22 0.46 0.05 5.19 -0.00 -1.44 -3.36 116.97 118.09 2x6j h TYR 302 Ca 0.01 -0.21 -0.32 0.00 0.00 0.00 0.00 58.73 58.21 2x6j h TYR 302 Cb 0.97 -0.07 -0.04 0.00 0.00 0.00 0.00 36.73 37.60 2x6j h TYR 302 CO 0.02 0.96 -1.80 0.00 -0.00 0.00 0.00 178.16 177.34 2x6j h ARG 303 N 0.22 0.11 0.06 0.10 3.08 -1.38 -3.45 114.38 113.13 2x6j h ARG 303 Ca -0.03 -0.20 -0.35 0.00 0.07 0.00 0.00 59.98 59.47 2x6j h ARG 303 Cb 1.32 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 31.41 2x6j h ARG 303 CO 0.12 0.80 -1.98 0.66 -1.07 0.00 0.00 179.97 178.51 2x6j n TYR 304 N -3.23 0.82 -3.75 3.04 4.01 -0.02 -4.91 117.16 113.12 2x6j n TYR 304 Ca -0.22 0.23 -0.36 0.00 -0.16 0.00 0.00 57.90 57.39 2x6j n TYR 304 Cb 1.05 -1.10 -0.06 0.00 -0.31 0.00 0.00 39.34 38.92 2x6j n TYR 304 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2x6j s PRO 305 N -2.50 3.60 0.04 -0.72 0.05 -1.26 -5.00 135.00 129.21 2x6j s PRO 305 Ca -0.28 -0.01 -0.01 0.00 0.05 0.00 0.00 61.00 60.75 2x6j s PRO 305 Cb 0.08 -3.13 -0.27 0.00 0.05 0.00 0.00 34.50 31.24 2x6j s PRO 305 CO 0.66 0.69 0.99 -1.00 0.05 0.00 0.00 177.00 178.39 2x6j h PRO 306 N 4.34 0.20 -2.69 0.56 0.13 -1.93 -3.46 132.00 129.16 2x6j h PRO 306 Ca -0.51 -0.34 -0.13 0.00 -0.87 0.00 0.00 66.00 64.15 2x6j h PRO 306 Cb 1.21 0.13 -0.27 0.00 0.13 0.00 0.00 31.00 32.19 2x6j h PRO 306 CO 0.63 1.08 -0.34 0.95 -0.23 0.00 0.00 178.00 180.10 2x6j s THR 307 N -2.64 -0.12 -0.12 1.56 -4.23 -1.26 -5.03 115.64 103.80 2x6j s THR 307 Ca -0.06 0.12 -0.02 0.00 -1.18 0.00 0.00 61.69 60.55 2x6j s THR 307 Cb 0.07 -0.58 0.04 0.00 1.34 0.00 0.00 72.50 73.37 2x6j s THR 307 CO 0.85 0.05 0.02 -0.31 -0.54 0.00 0.00 174.62 174.70 2x6j s TYR 308 N 1.57 0.72 0.23 3.99 4.12 -1.26 -4.94 117.35 121.78 2x6j s TYR 308 Ca -0.08 -0.40 -0.07 0.00 0.02 0.00 0.00 57.07 56.54 2x6j s TYR 308 Cb -0.09 -0.85 0.20 0.00 -1.52 0.00 0.00 41.96 39.70 2x6j s TYR 308 CO -0.12 -0.44 1.86 0.28 0.02 0.00 0.00 175.55 177.15 2x6j h VAL 309 N 6.40 1.25 -4.02 0.71 2.07 -2.03 -3.47 116.25 117.17 2x6j h VAL 309 Ca -0.18 -0.60 -0.54 0.00 0.82 0.00 0.00 66.70 66.20 2x6j h VAL 309 Cb 1.13 0.04 0.19 0.00 -1.52 0.00 0.00 31.29 31.13 2x6j h VAL 309 CO 0.28 0.28 0.17 -0.11 0.02 0.00 0.00 177.57 178.21 2x6j n LEU 310 N -4.37 3.59 -2.88 2.57 -0.00 -1.26 -4.11 117.00 110.54 2x6j n LEU 310 Ca 0.09 0.56 -0.12 0.00 -0.00 0.00 0.00 56.01 56.54 2x6j n LEU 310 Cb 0.08 -1.45 0.06 0.00 -0.00 0.00 0.00 43.42 42.11 2x6j n LEU 310 CO 0.38 -2.03 0.04 -1.20 -0.00 0.00 0.00 177.39 174.58 2x6j n SER 311 N -2.80 -4.87 0.04 1.96 7.64 -1.26 -4.83 113.62 109.50 2x6j n SER 311 Ca 0.13 -0.54 -0.11 0.00 1.01 0.00 0.00 58.87 59.36 2x6j n SER 311 Cb 0.51 -4.19 0.02 0.00 -1.01 0.00 0.00 64.21 59.54 2x6j n SER 311 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2x6j h SER 312 N -0.99 0.55 -0.02 6.43 4.64 -1.96 0.33 113.55 122.53 2x6j h SER 312 Ca -0.48 -0.36 -0.11 0.00 -0.47 0.00 0.00 61.79 60.38 2x6j h SER 312 Cb 1.25 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 2x6j h SER 312 CO 0.36 1.10 -0.31 1.05 -0.87 0.00 0.00 176.83 178.16 2x6j h GLU 313 N 0.32 0.48 -0.52 4.77 9.09 -1.95 -3.00 114.58 123.77 2x6j h GLU 313 Ca -0.03 -0.20 -0.08 0.00 0.05 0.00 0.00 59.36 59.10 2x6j h GLU 313 Cb 1.30 -0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 28.36 2x6j h GLU 313 CO 0.13 0.73 -0.01 1.49 0.05 0.00 0.00 179.01 181.40 2x6j h GLU 314 N 0.41 0.88 -0.90 1.06 4.81 -1.80 -0.10 114.58 118.94 2x6j h GLU 314 Ca 0.05 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 59.03 2x6j h GLU 314 Cb 0.75 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.99 2x6j h GLU 314 CO 0.06 0.88 0.55 -0.56 -0.73 0.00 0.00 179.01 179.21 2x6j h GLN 315 N 0.81 1.21 0.00 1.92 3.07 -0.24 0.53 115.11 122.42 2x6j h GLN 315 Ca 0.15 -0.10 -0.16 0.00 0.09 0.00 0.00 58.65 58.63 2x6j h GLN 315 Cb 0.50 -0.26 -0.02 0.00 0.08 0.00 0.00 27.48 27.78 2x6j h GLN 315 CO 0.02 0.84 -0.74 -0.44 0.09 0.00 0.00 178.83 178.60 2x6j h ASP 316 N 1.23 0.00 -0.23 0.06 5.19 -1.38 -2.63 116.42 118.66 2x6j h ASP 316 Ca 0.32 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.64 2x6j h ASP 316 Cb -0.07 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.44 2x6j h ASP 316 CO -0.06 0.74 -0.21 0.17 -3.12 0.00 0.00 179.24 176.76 2x6j h LEU 317 N 0.00 0.59 -0.77 1.55 8.10 -0.15 -3.18 115.31 121.45 2x6j h LEU 317 Ca -0.01 -0.47 0.06 0.00 0.11 0.00 0.00 57.88 57.58 2x6j h LEU 317 Cb 1.39 -0.17 -0.06 0.00 -0.44 0.00 0.00 40.66 41.38 2x6j h LEU 317 CO 0.10 0.94 0.46 1.62 -4.11 0.00 0.00 178.44 177.44 2x6j h VAL 318 N 0.26 1.00 -0.85 0.15 3.04 0.12 -3.06 116.25 116.91 2x6j h VAL 318 Ca 0.04 -0.29 0.08 0.00 -1.01 0.00 0.00 66.70 65.52 2x6j h VAL 318 Cb 0.76 0.10 -0.10 0.00 -2.01 0.00 0.00 31.29 30.04 2x6j h VAL 318 CO 0.05 0.15 -0.50 1.87 -1.01 0.00 0.00 177.57 178.14 2x6j n TRP 319 N -4.70 -0.37 -0.25 3.17 -0.00 -1.00 0.29 117.44 114.58 2x6j n TRP 319 Ca 0.11 1.06 0.05 0.00 -0.00 0.00 0.00 57.50 58.71 2x6j n TRP 319 Cb 0.18 -0.56 0.18 0.00 -0.00 0.00 0.00 31.31 31.10 2x6j n TRP 319 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 177.69 179.26 2x6j h LYS 320 N 0.00 0.41 0.00 5.87 2.10 -1.67 0.06 116.57 123.35 2x6j h LYS 320 Ca 0.14 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 2x6j h LYS 320 Cb 0.35 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2x6j h LYS 320 CO -0.80 0.27 -0.90 0.34 -2.00 0.00 0.00 179.45 176.36 2x6j n PHE 321 N -5.01 0.28 0.14 0.07 7.35 0.16 -4.17 117.46 116.28 2x6j n PHE 321 Ca 0.14 0.08 -0.14 0.00 -0.76 0.00 0.00 57.45 56.77 2x6j n PHE 321 Cb 0.40 -0.44 -0.08 0.00 0.35 0.00 0.00 39.48 39.71 2x6j n PHE 321 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 2x6j h ARG 322 N 0.00 -0.29 -0.76 -4.13 1.12 0.64 -2.37 114.38 108.58 2x6j h ARG 322 Ca 0.00 0.02 0.17 0.00 -1.11 0.00 0.00 59.98 59.06 2x6j h ARG 322 Cb 0.70 0.07 -0.13 0.00 -0.01 0.00 0.00 29.97 30.60 2x6j h ARG 322 CO 0.00 -0.14 0.02 0.35 -3.11 0.00 0.00 179.97 177.10 2x6j h PHE 323 N -0.37 -0.01 0.02 2.20 3.57 -1.49 -2.09 116.94 118.77 2x6j h PHE 323 Ca -0.03 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 2x6j h PHE 323 Cb 0.28 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.15 2x6j h PHE 323 CO -0.04 -0.23 -0.01 1.88 -2.23 0.00 0.00 178.31 177.67 2x6j h TYR 324 N 0.11 -0.03 0.04 0.41 0.99 -1.73 -3.34 116.97 113.42 2x6j h TYR 324 Ca 0.42 -0.00 0.01 0.00 2.00 0.00 0.00 58.73 61.16 2x6j h TYR 324 Cb 0.75 0.01 -0.02 0.00 1.00 0.00 0.00 36.73 38.46 2x6j h TYR 324 CO -0.41 0.50 -0.23 -0.07 -0.00 0.00 0.00 178.16 177.95 2x6j h LEU 325 N -0.98 -0.69 0.65 3.88 -0.00 -1.39 -3.42 115.31 113.36 2x6j h LEU 325 Ca -0.00 0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 2x6j h LEU 325 Cb 0.54 0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.46 2x6j h LEU 325 CO 0.01 -0.23 0.00 -1.54 -0.00 0.00 0.00 178.44 176.67 2x6j n SER 326 N -3.74 0.00 -0.06 -0.43 3.41 -0.79 -4.65 113.62 107.35 2x6j n SER 326 Ca -0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.49 2x6j n SER 326 Cb 0.17 -0.42 -0.08 0.00 -0.26 0.00 0.00 64.21 63.63 2x6j n SER 326 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2x6j h SER 327 N 0.00 0.00 -3.36 4.04 0.02 -1.88 -3.38 113.55 108.98 2x6j h SER 327 Ca 0.00 -0.58 -0.68 0.00 -0.84 0.00 0.00 61.79 59.69 2x6j h SER 327 Cb 0.00 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.39 2x6j h SER 327 CO 0.00 0.83 -0.63 -2.28 -1.14 0.00 0.00 176.83 173.60 2x6j s HIS 328 N -1.97 3.13 0.34 3.45 2.46 -1.26 -4.70 115.29 116.73 2x6j s HIS 328 Ca -0.12 0.17 0.02 0.00 0.47 0.00 0.00 55.06 55.60 2x6j s HIS 328 Cb -0.01 -1.77 0.59 0.00 -0.13 0.00 0.00 32.58 31.25 2x6j s HIS 328 CO 0.41 0.45 1.97 1.57 -2.47 0.00 0.00 174.74 176.68 2x6j h LYS 329 N 5.13 0.83 0.00 2.88 2.10 -1.87 -2.31 116.57 123.33 2x6j h LYS 329 Ca -0.51 -0.07 -0.02 0.00 -2.00 0.00 0.00 60.65 58.05 2x6j h LYS 329 Cb 1.19 -0.17 -0.00 0.00 -0.90 0.00 0.00 32.23 32.34 2x6j h LYS 329 CO 0.54 0.59 -0.10 0.87 -2.00 0.00 0.00 179.45 179.35 2x6j h LYS 330 N 0.84 0.00 -0.54 0.07 1.57 -1.93 0.44 116.57 117.02 2x6j h LYS 330 Ca 0.22 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.95 2x6j h LYS 330 Cb -0.01 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2x6j h LYS 330 CO -0.04 0.10 0.13 0.00 -0.57 0.00 0.00 179.45 179.08 2x6j h ALA 331 N 1.90 0.72 -0.53 3.86 0.00 -1.73 -3.12 119.26 120.35 2x6j h ALA 331 Ca -0.00 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 54.80 2x6j h ALA 331 Cb 0.23 -0.21 -0.10 0.00 0.00 0.00 0.00 17.79 17.71 2x6j h ALA 331 CO 0.01 0.41 -0.09 1.25 0.00 0.00 0.00 179.25 180.83 2x6j h LEU 332 N 0.77 -0.42 -0.70 0.00 5.85 -0.95 -1.03 115.31 118.83 2x6j h LEU 332 Ca 0.17 0.15 0.10 0.00 0.84 0.00 0.00 57.88 59.14 2x6j h LEU 332 Cb 0.34 0.30 -0.07 0.00 0.37 0.00 0.00 40.66 41.59 2x6j h LEU 332 CO 0.00 -0.15 0.34 0.74 -0.34 0.00 0.00 178.44 179.03 2x6j h THR 333 N 0.03 0.82 -0.35 1.05 2.02 -1.47 -0.89 112.91 114.12 2x6j h THR 333 Ca 0.26 -0.19 -0.15 0.00 0.77 0.00 0.00 66.41 67.10 2x6j h THR 333 Cb 0.41 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2x6j h THR 333 CO -0.52 0.10 -0.38 0.11 0.37 0.00 0.00 175.52 175.20 2x6j h LYS 334 N 0.57 0.84 -0.08 6.66 1.79 -1.47 -3.22 116.57 121.66 2x6j h LYS 334 Ca 0.35 -0.43 0.03 0.00 -2.18 0.00 0.00 60.65 58.42 2x6j h LYS 334 Cb 0.39 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.02 2x6j h LYS 334 CO -0.28 1.07 -0.09 0.35 -1.08 0.00 0.00 179.45 179.42 2x6j h PHE 335 N 0.69 -0.22 -0.13 -1.35 -0.00 0.10 -2.41 116.94 113.60 2x6j h PHE 335 Ca 0.06 0.01 0.04 0.00 -0.00 0.00 0.00 57.97 58.08 2x6j h PHE 335 Cb 0.95 0.11 -0.01 0.00 -0.00 0.00 0.00 35.95 37.01 2x6j h PHE 335 CO 0.05 -0.14 0.10 -0.07 -0.00 0.00 0.00 178.31 178.26 2x6j h LEU 336 N -0.12 0.00 -0.45 0.59 -0.00 -1.32 -2.91 115.31 111.10 2x6j h LEU 336 Ca 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.94 2x6j h LEU 336 Cb 0.21 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.85 2x6j h LEU 336 CO -0.15 0.00 0.26 0.11 -0.00 0.00 0.00 178.44 178.66 2x6j h LYS 337 N 0.00 0.61 -0.27 1.13 1.57 -1.49 -3.25 116.57 114.87 2x6j h LYS 337 Ca 0.06 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 2x6j h LYS 337 Cb 0.26 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2x6j h LYS 337 CO -0.00 0.46 -0.53 0.00 -0.57 0.00 0.00 179.45 178.81 2x6j h ILE 339 N 0.60 0.75 0.11 0.00 3.07 -1.68 -3.32 117.51 117.04 2x6j h ILE 339 Ca 0.01 -1.64 -0.27 0.00 1.55 0.00 0.00 64.86 64.51 2x6j h ILE 339 Cb 1.14 2.06 -0.00 0.00 -0.27 0.00 0.00 36.82 39.74 2x6j h ILE 339 CO 0.12 0.36 -1.30 0.78 -1.05 0.00 0.00 178.15 177.06 2x6j h ASN 340 N 0.00 0.35 -0.98 2.16 4.21 -1.73 -2.44 115.58 117.15 2x6j h ASN 340 Ca -0.00 -0.40 0.05 0.00 1.21 0.00 0.00 56.30 57.15 2x6j h ASN 340 Cb 1.03 -0.11 -0.06 0.00 -1.12 0.00 0.00 38.32 38.06 2x6j h ASN 340 CO 0.05 1.32 0.64 -0.25 -1.29 0.00 0.00 177.43 177.90 2x6j h TRP 341 N 0.06 1.19 -4.03 1.19 2.91 -1.81 -3.42 115.95 112.04 2x6j h TRP 341 Ca -0.15 0.03 -0.54 0.00 1.13 0.00 0.00 58.89 59.36 2x6j h TRP 341 Cb 1.96 -0.39 0.12 0.00 -0.51 0.00 0.00 29.16 30.33 2x6j h TRP 341 CO 0.05 0.66 0.60 0.21 -1.03 0.00 0.00 178.44 178.93 2x6j s LYS 342 N -6.07 3.37 1.40 2.65 2.47 -0.92 -4.98 119.74 117.66 2x6j s LYS 342 Ca -0.13 2.17 -0.21 0.00 -1.56 0.00 0.00 55.97 56.25 2x6j s LYS 342 Cb 0.19 -2.36 0.36 0.00 -1.46 0.00 0.00 37.83 34.56 2x6j s LYS 342 CO 0.81 -0.99 0.93 -1.17 0.16 0.00 0.00 175.35 175.09 2x6j s LEU 343 N -3.27 -0.92 0.16 5.43 2.96 -1.26 -4.83 118.68 116.96 2x6j s LEU 343 Ca 0.68 1.04 -0.07 0.00 -0.22 0.00 0.00 54.13 55.56 2x6j s LEU 343 Cb -0.39 -2.53 0.03 0.00 0.50 0.00 0.00 46.19 43.80 2x6j s LEU 343 CO 0.47 -5.30 1.48 -0.08 -1.32 0.00 0.00 176.35 171.60 2x6j h GLU 344 N -3.37 0.74 0.00 1.98 4.81 -1.91 -3.27 114.58 113.55 2x6j h GLU 344 Ca -0.48 -0.44 -0.09 0.00 -0.13 0.00 0.00 59.36 58.22 2x6j h GLU 344 Cb 1.35 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.75 2x6j h GLU 344 CO 0.33 1.06 -0.42 0.22 -0.73 0.00 0.00 179.01 179.47 2x6j h ASP 345 N 0.58 0.00 0.83 1.04 -0.00 -1.99 -0.60 116.42 116.28 2x6j h ASP 345 Ca 0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 57.03 56.95 2x6j h ASP 345 Cb 1.07 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.38 2x6j h ASP 345 CO 0.11 0.42 -0.50 1.05 -0.00 0.00 0.00 179.24 180.32 2x6j h GLU 346 N 0.00 0.00 -0.48 0.28 4.11 -1.94 -3.23 114.58 113.32 2x6j h GLU 346 Ca -0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.43 2x6j h GLU 346 Cb 0.80 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 2x6j h GLU 346 CO 0.05 0.50 0.31 0.28 0.07 0.00 0.00 179.01 180.22 2x6j h VAL 347 N 0.00 1.10 -0.22 -1.06 2.07 -1.16 0.14 116.25 117.12 2x6j h VAL 347 Ca -0.00 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 2x6j h VAL 347 Cb 1.05 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2x6j h VAL 347 CO 0.06 0.11 -0.16 0.71 0.02 0.00 0.00 177.57 178.32 2x6j h THR 348 N 0.63 1.22 -0.29 2.57 1.35 -1.55 -2.15 112.91 114.68 2x6j h THR 348 Ca 0.18 -0.99 -0.14 0.00 -0.55 0.00 0.00 66.41 64.91 2x6j h THR 348 Cb -0.05 1.22 -0.01 0.00 -1.73 0.00 0.00 68.15 67.58 2x6j h THR 348 CO -0.05 0.31 -0.39 1.56 -0.25 0.00 0.00 175.52 176.70 2x6j h GLN 349 N 0.35 0.70 -0.07 4.72 4.20 -1.44 -3.02 115.11 120.54 2x6j h GLN 349 Ca 0.06 -0.36 -0.09 0.00 0.06 0.00 0.00 58.65 58.33 2x6j h GLN 349 Cb 0.48 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2x6j h GLN 349 CO 0.03 0.97 -0.36 0.00 -0.67 0.00 0.00 178.83 178.80 2x6j h ALA 350 N 0.98 1.26 -0.51 3.87 0.00 -0.34 -1.44 119.26 123.09 2x6j h ALA 350 Ca 0.05 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 2x6j h ALA 350 Cb 0.93 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2x6j h ALA 350 CO 0.08 0.52 -0.14 -0.07 0.00 0.00 0.00 179.25 179.64 2x6j h LEU 351 N 0.12 1.01 -0.76 0.00 3.38 -1.28 1.98 115.31 119.77 2x6j h LEU 351 Ca 0.01 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 2x6j h LEU 351 Cb 0.70 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 2x6j h LEU 351 CO 0.05 1.15 0.31 -0.25 0.09 0.00 0.00 178.44 179.78 2x6j h TRP 352 N 0.87 1.15 -0.54 1.13 7.01 -1.40 1.35 115.95 125.51 2x6j h TRP 352 Ca 0.13 -0.09 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 2x6j h TRP 352 Cb 0.71 -0.35 -0.03 0.00 -2.10 0.00 0.00 29.16 27.40 2x6j h TRP 352 CO 0.05 0.88 0.31 0.52 -2.79 0.00 0.00 178.44 177.40 2x6j h MET 353 N 1.10 0.74 0.16 2.65 2.86 -0.77 -2.23 114.93 119.45 2x6j h MET 353 Ca 0.25 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 2x6j h MET 353 Cb 0.21 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.72 2x6j h MET 353 CO -0.02 0.56 -0.08 1.25 1.06 0.00 0.00 176.91 179.68 2x6j h LEU 354 N 0.72 -0.19 -1.04 1.22 6.46 0.42 -0.44 115.31 122.45 2x6j h LEU 354 Ca 0.19 -0.22 0.11 0.00 -0.12 0.00 0.00 57.88 57.84 2x6j h LEU 354 Cb 0.02 0.05 -0.08 0.00 -0.73 0.00 0.00 40.66 39.92 2x6j h LEU 354 CO -0.03 0.12 0.63 0.00 -0.62 0.00 0.00 178.44 178.54 2x6j h ALA 355 N 0.27 1.53 0.00 1.25 0.00 0.17 -1.33 119.26 121.15 2x6j h ALA 355 Ca -0.02 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 2x6j h ALA 355 Cb 0.39 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2x6j h ALA 355 CO 0.04 0.25 -0.83 -0.91 0.00 0.00 0.00 179.25 177.80 2x6j h ASN 356 N 1.00 0.00 -3.84 0.00 4.21 -1.31 -3.47 115.58 112.17 2x6j h ASN 356 Ca 0.47 0.00 -0.55 0.00 1.21 0.00 0.00 56.30 57.43 2x6j h ASN 356 Cb 0.43 0.00 0.13 0.00 -1.12 0.00 0.00 38.32 37.76 2x6j h ASN 356 CO -0.24 0.83 0.62 1.87 -1.29 0.00 0.00 177.43 179.22 2x6j n TRP 357 N -3.45 2.46 -1.57 1.19 -0.00 -0.18 -4.88 117.44 111.01 2x6j n TRP 357 Ca -0.00 0.46 -0.53 0.00 -0.00 0.00 0.00 57.50 57.42 2x6j n TRP 357 Cb 0.82 -2.42 -0.06 0.00 -0.00 0.00 0.00 31.31 29.65 2x6j n TRP 357 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2x6j n ALA 358 N -0.33 -1.61 -1.77 5.87 0.00 -1.26 -4.85 120.51 116.57 2x6j n ALA 358 Ca 0.06 0.53 -0.40 0.00 0.00 0.00 0.00 53.44 53.63 2x6j n ALA 358 Cb 0.41 -1.99 -0.01 0.00 0.00 0.00 0.00 19.45 17.86 2x6j n ALA 358 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2x6j s PRO 359 N 0.26 4.17 0.55 0.00 0.04 -1.26 -4.43 135.00 134.33 2x6j s PRO 359 Ca 0.85 2.19 -0.17 0.00 0.04 0.00 0.00 61.00 63.90 2x6j s PRO 359 Cb -1.02 -2.91 -0.06 0.00 0.04 0.00 0.00 34.50 30.55 2x6j s PRO 359 CO 0.50 -0.34 1.04 -1.64 0.04 0.00 0.00 177.00 176.60 2x6j s MET 360 N -2.02 3.55 0.65 4.56 -1.94 -1.26 -4.79 119.30 118.05 2x6j s MET 360 Ca 0.53 1.20 -0.13 0.00 -1.71 0.00 0.00 55.69 55.58 2x6j s MET 360 Cb -0.39 -2.07 -0.01 0.00 2.01 0.00 0.00 34.83 34.38 2x6j s MET 360 CO 0.51 -0.62 1.06 -0.51 -0.01 0.00 0.00 175.02 175.44 2x6j s ASP 361 N -2.64 5.51 0.34 3.03 1.01 -1.26 -4.96 116.67 117.70 2x6j s ASP 361 Ca 0.64 1.72 0.04 0.00 0.71 0.00 0.00 52.55 55.65 2x6j s ASP 361 Cb -0.15 -2.51 0.67 0.00 1.01 0.00 0.00 42.92 41.93 2x6j s ASP 361 CO 0.32 -1.35 1.94 0.58 0.21 0.00 0.00 175.17 176.86 2x6j h VAL 362 N -0.22 1.03 -0.48 -1.27 2.07 -1.97 -2.98 116.25 112.43 2x6j h VAL 362 Ca -0.45 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 66.79 2x6j h VAL 362 Cb 1.22 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 2x6j h VAL 362 CO 0.57 0.16 0.31 -0.33 0.02 0.00 0.00 177.57 178.29 2x6j h GLU 363 N 0.85 0.60 -0.11 1.57 3.07 -1.98 -0.55 114.58 118.04 2x6j h GLU 363 Ca 0.35 -0.04 0.03 0.00 -0.50 0.00 0.00 59.36 59.20 2x6j h GLU 363 Cb 0.26 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.03 2x6j h GLU 363 CO -0.12 0.40 0.09 -0.44 -1.40 0.00 0.00 179.01 177.53 2x6j h ASP 364 N 0.62 0.00 0.09 1.42 3.32 -1.92 -1.81 116.42 118.14 2x6j h ASP 364 Ca 0.18 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.04 2x6j h ASP 364 Cb -0.04 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 2x6j h ASP 364 CO -0.06 0.00 -0.70 0.00 -1.72 0.00 0.00 179.24 176.77 2x6j h ALA 365 N 1.93 0.54 -0.37 3.45 0.00 -1.19 -2.36 119.26 121.25 2x6j h ALA 365 Ca 0.05 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2x6j h ALA 365 Cb 0.22 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2x6j h ALA 365 CO -0.00 0.72 0.24 -0.07 0.00 0.00 0.00 179.25 180.15 2x6j h LEU 366 N 0.39 0.43 -1.49 0.00 3.38 -1.09 0.28 115.31 117.21 2x6j h LEU 366 Ca -0.03 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2x6j h LEU 366 Cb 1.28 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2x6j h LEU 366 CO 0.13 0.32 -0.10 -0.08 0.09 0.00 0.00 178.44 178.80 2x6j h GLU 367 N 0.51 0.21 0.00 1.13 4.81 -1.23 -3.01 114.58 117.00 2x6j h GLU 367 Ca 0.14 -0.04 -0.24 0.00 -0.13 0.00 0.00 59.36 59.08 2x6j h GLU 367 Cb -0.05 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 2x6j h GLU 367 CO -0.03 0.32 -1.28 -0.07 -0.73 0.00 0.00 179.01 177.22 2x6j h LEU 368 N 0.21 0.00 0.00 1.64 3.38 -0.11 -2.92 115.31 117.51 2x6j h LEU 368 Ca 0.04 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2x6j h LEU 368 Cb 0.31 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2x6j h LEU 368 CO 0.02 1.00 0.00 0.18 0.09 0.00 0.00 178.44 179.73 2x6j n LEU 369 N -3.23 0.00 -4.49 1.67 4.77 -0.31 -4.59 117.00 110.81 2x6j n LEU 369 Ca -0.07 0.13 -0.36 0.00 -0.03 0.00 0.00 56.01 55.68 2x6j n LEU 369 Cb 0.99 -0.13 0.07 0.00 -2.33 0.00 0.00 43.42 42.02 2x6j n LEU 369 CO 0.46 -0.09 0.14 -1.20 -1.33 0.00 0.00 177.39 175.38 2x6j n SER 370 N -1.13 -0.93 0.28 -1.43 7.64 -1.11 -4.87 113.62 112.08 2x6j n SER 370 Ca 0.06 0.60 0.16 0.00 1.01 0.00 0.00 58.87 60.69 2x6j n SER 370 Cb 0.05 -1.25 0.79 0.00 -1.01 0.00 0.00 64.21 62.79 2x6j n SER 370 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2x6j h PRO 371 N -0.39 0.00 -0.06 1.43 0.13 -1.89 -3.18 132.00 128.04 2x6j h PRO 371 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2x6j h PRO 371 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 2x6j h PRO 371 CO 0.43 0.07 0.03 1.79 -0.23 0.00 0.00 178.00 180.10 2x6j h THR 372 N 0.00 1.09 -3.58 1.56 1.35 -1.91 -3.39 112.91 108.03 2x6j h THR 372 Ca -0.00 -0.26 -0.64 0.00 -0.55 0.00 0.00 66.41 64.96 2x6j h THR 372 Cb 0.36 1.15 -0.14 0.00 -1.73 0.00 0.00 68.15 67.79 2x6j h THR 372 CO 0.01 0.08 0.07 -0.36 -0.25 0.00 0.00 175.52 175.06 2x6j s PHE 373 N -5.80 3.15 0.11 4.73 0.08 -1.20 -4.94 117.98 114.11 2x6j s PHE 373 Ca -0.14 0.24 0.06 0.00 0.12 0.00 0.00 56.93 57.22 2x6j s PHE 373 Cb 0.06 -3.07 -0.22 0.00 -0.57 0.00 0.00 43.02 39.22 2x6j s PHE 373 CO 0.67 -0.62 1.25 1.15 -0.10 0.00 0.00 175.22 177.57 2x6j h THR 374 N 5.67 1.67 -3.27 0.64 2.02 -1.85 -3.45 112.91 114.35 2x6j h THR 374 Ca -0.27 -3.37 -0.53 0.00 0.77 0.00 0.00 66.41 63.01 2x6j h THR 374 Cb 1.11 2.84 0.07 0.00 -1.74 0.00 0.00 68.15 70.43 2x6j h THR 374 CO 0.82 0.96 0.84 -2.28 0.37 0.00 0.00 175.52 176.22 2x6j s HIS 375 N -2.70 2.90 0.24 3.16 5.04 -1.26 -4.96 115.29 117.71 2x6j s HIS 375 Ca 0.00 0.85 -0.04 0.00 -1.54 0.00 0.00 55.06 54.33 2x6j s HIS 375 Cb 0.10 -3.95 0.25 0.00 0.04 0.00 0.00 32.58 29.02 2x6j s HIS 375 CO 0.83 -3.22 1.74 -1.00 -2.34 0.00 0.00 174.74 170.75 2x6j h PRO 376 N 5.22 0.94 -0.26 2.88 0.13 -2.01 -3.21 132.00 135.69 2x6j h PRO 376 Ca -0.46 -0.24 -0.11 0.00 -0.87 0.00 0.00 66.00 64.32 2x6j h PRO 376 Cb 1.22 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2x6j h PRO 376 CO 0.81 0.88 -0.32 1.96 -0.23 0.00 0.00 178.00 181.10 2x6j h GLN 377 N 0.88 0.54 -0.39 0.86 1.08 -2.00 -2.85 115.11 113.23 2x6j h GLN 377 Ca 0.18 -0.24 -0.11 0.00 -1.45 0.00 0.00 58.65 57.03 2x6j h GLN 377 Cb 0.42 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 2x6j h GLN 377 CO 0.01 0.80 -0.20 -0.39 -0.95 0.00 0.00 178.83 178.10 2x6j h VAL 378 N 0.46 1.27 -0.32 -0.54 -1.51 -1.96 -2.24 116.25 111.41 2x6j h VAL 378 Ca 0.06 -1.29 -0.08 0.00 -1.23 0.00 0.00 66.70 64.16 2x6j h VAL 378 Cb 0.79 1.18 -0.02 0.00 -2.13 0.00 0.00 31.29 31.11 2x6j h VAL 378 CO 0.06 0.43 -0.12 0.03 -1.23 0.00 0.00 177.57 176.74 2x6j h ARG 379 N 0.66 0.55 -0.28 5.19 3.08 -1.55 0.67 114.38 122.70 2x6j h ARG 379 Ca 0.10 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2x6j h ARG 379 Cb 0.69 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 2x6j h ARG 379 CO 0.05 0.67 0.18 -0.22 -1.07 0.00 0.00 179.97 179.58 2x6j h LYS 380 N 0.51 0.37 -0.13 0.04 3.64 -1.35 -1.16 116.57 118.49 2x6j h LYS 380 Ca 0.09 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2x6j h LYS 380 Cb 0.51 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2x6j h LYS 380 CO 0.03 0.25 0.09 -0.92 -2.27 0.00 0.00 179.45 176.62 2x6j h TYR 381 N 0.38 0.16 -0.70 1.91 3.20 -0.39 -0.44 116.97 121.09 2x6j h TYR 381 Ca 0.10 0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.02 2x6j h TYR 381 Cb -0.04 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.13 2x6j h TYR 381 CO -0.06 0.10 0.42 0.00 -1.64 0.00 0.00 178.16 176.98 2x6j h ALA 382 N 1.05 0.93 -0.37 1.82 0.00 0.34 -1.27 119.26 121.75 2x6j h ALA 382 Ca 0.05 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2x6j h ALA 382 Cb -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2x6j h ALA 382 CO -0.01 0.14 -0.17 0.28 0.00 0.00 0.00 179.25 179.49 2x6j h VAL 383 N 0.79 1.26 -0.44 0.00 2.07 -0.86 -0.59 116.25 118.48 2x6j h VAL 383 Ca 0.30 -1.22 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 2x6j h VAL 383 Cb 0.11 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2x6j h VAL 383 CO -0.15 0.41 0.10 0.77 0.02 0.00 0.00 177.57 178.72 2x6j h SER 384 N 0.62 0.60 -0.48 0.57 4.64 -0.42 0.29 113.55 119.38 2x6j h SER 384 Ca 0.10 -0.10 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 2x6j h SER 384 Cb 0.63 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 2x6j h SER 384 CO 0.04 0.61 0.18 0.03 -0.87 0.00 0.00 176.83 176.82 2x6j h ARG 385 N 0.63 0.73 -0.67 4.77 2.47 -0.52 -2.85 114.38 118.94 2x6j h ARG 385 Ca 0.14 -0.14 -0.06 0.00 -1.26 0.00 0.00 59.98 58.66 2x6j h ARG 385 Cb 0.25 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.43 2x6j h ARG 385 CO -0.00 0.67 0.18 -0.07 0.56 0.00 0.00 179.97 181.30 2x6j h LEU 386 N 0.64 1.01 -1.24 3.04 3.38 -0.10 -2.38 115.31 119.67 2x6j h LEU 386 Ca 0.16 -0.23 0.22 0.00 0.09 0.00 0.00 57.88 58.12 2x6j h LEU 386 Cb 0.22 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 40.61 2x6j h LEU 386 CO -0.01 0.97 0.63 0.00 0.09 0.00 0.00 178.44 180.12 2x6j h ALA 387 N 1.08 1.99 0.00 1.53 0.00 -0.24 -0.11 119.26 123.51 2x6j h ALA 387 Ca 0.21 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 2x6j h ALA 387 Cb 0.35 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2x6j h ALA 387 CO -0.00 -0.36 -0.40 1.96 0.00 0.00 0.00 179.25 180.45 2x6j h GLN 388 N 0.55 0.00 -6.79 0.00 1.08 -1.24 -3.45 115.11 105.26 2x6j h GLN 388 Ca 0.56 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 57.24 2x6j h GLN 388 Cb 1.18 0.00 0.08 0.00 -0.05 0.00 0.00 27.48 28.69 2x6j h GLN 388 CO -0.31 0.40 0.90 0.00 -0.95 0.00 0.00 178.83 178.86 2x6j s ALA 389 N -4.08 3.76 0.57 3.87 0.00 -0.05 -4.98 121.76 120.85 2x6j s ALA 389 Ca -0.02 1.57 -0.20 0.00 0.00 0.00 0.00 51.96 53.31 2x6j s ALA 389 Cb 0.14 -3.65 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 2x6j s ALA 389 CO 0.72 -0.98 1.23 -1.25 0.00 0.00 0.00 175.76 175.49 2x6j s PRO 390 N -0.37 3.07 0.41 0.00 0.04 -1.26 -4.85 135.00 132.04 2x6j s PRO 390 Ca 0.64 1.91 0.16 0.00 0.04 0.00 0.00 61.00 63.75 2x6j s PRO 390 Cb -0.48 -2.04 1.05 0.00 0.04 0.00 0.00 34.50 33.07 2x6j s PRO 390 CO 0.47 -1.15 1.84 -0.44 0.04 0.00 0.00 177.00 177.76 2x6j h ASP 391 N 1.11 0.45 -0.74 6.66 3.32 -1.96 -1.32 116.42 123.94 2x6j h ASP 391 Ca -0.50 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 2x6j h ASP 391 Cb 1.29 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.78 2x6j h ASP 391 CO 0.56 0.17 0.41 1.05 -1.72 0.00 0.00 179.24 179.71 2x6j h GLU 392 N 0.44 1.04 -0.40 3.56 4.11 -1.99 0.12 114.58 121.47 2x6j h GLU 392 Ca 0.48 -0.12 -0.08 0.00 0.07 0.00 0.00 59.36 59.72 2x6j h GLU 392 Cb 1.16 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2x6j h GLU 392 CO -0.20 0.77 -0.06 -0.44 0.07 0.00 0.00 179.01 179.15 2x6j h ASP 393 N 1.05 0.75 -0.50 3.06 5.19 -1.60 -1.84 116.42 122.53 2x6j h ASP 393 Ca 0.27 -0.34 -0.04 0.00 -0.62 0.00 0.00 57.03 56.29 2x6j h ASP 393 Cb 0.03 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.31 2x6j h ASP 393 CO -0.04 0.92 0.17 -0.07 -3.12 0.00 0.00 179.24 177.09 2x6j h LEU 394 N 0.57 0.76 -0.63 1.55 4.07 -1.40 -1.69 115.31 118.54 2x6j h LEU 394 Ca 0.11 -0.12 0.03 0.00 0.08 0.00 0.00 57.88 57.98 2x6j h LEU 394 Cb 0.57 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 42.07 2x6j h LEU 394 CO 0.03 0.72 0.39 0.25 -1.08 0.00 0.00 178.44 178.75 2x6j h LEU 395 N 0.80 0.62 -0.82 1.67 6.46 -0.43 -2.40 115.31 121.21 2x6j h LEU 395 Ca 0.18 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.91 2x6j h LEU 395 Cb 0.24 -0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.01 2x6j h LEU 395 CO -0.01 0.43 0.34 -0.07 -0.62 0.00 0.00 178.44 178.51 2x6j h LEU 396 N 0.75 1.11 -1.09 2.25 4.07 -0.48 -3.03 115.31 118.88 2x6j h LEU 396 Ca 0.26 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 58.05 2x6j h LEU 396 Cb 0.04 -0.29 0.00 0.00 1.08 0.00 0.00 40.66 41.49 2x6j h LEU 396 CO -0.11 0.97 0.00 -1.22 -1.08 0.00 0.00 178.44 176.99 2x6j n TYR 397 N -4.28 0.25 0.02 1.13 4.01 -0.88 -4.52 117.16 112.89 2x6j n TYR 397 Ca 0.08 -0.12 -0.10 0.00 -0.16 0.00 0.00 57.90 57.59 2x6j n TYR 397 Cb 0.18 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.17 2x6j n TYR 397 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2x6j h LEU 398 N 2.08 -0.34 -0.70 7.72 7.12 -1.31 -0.70 115.31 129.17 2x6j h LEU 398 Ca 0.00 0.06 0.14 0.00 0.13 0.00 0.00 57.88 58.21 2x6j h LEU 398 Cb 0.46 0.16 -0.13 0.00 -0.53 0.00 0.00 40.66 40.62 2x6j h LEU 398 CO 0.00 -0.16 -0.18 -0.07 -0.13 0.00 0.00 178.44 177.91 2x6j h LEU 399 N -0.16 -0.66 -1.05 2.25 -0.00 -1.84 0.15 115.31 114.01 2x6j h LEU 399 Ca 0.07 0.21 -0.08 0.00 -0.00 0.00 0.00 57.88 58.08 2x6j h LEU 399 Cb 0.25 0.43 -0.02 0.00 -0.00 0.00 0.00 40.66 41.33 2x6j h LEU 399 CO -0.17 -0.23 -0.14 1.56 -0.00 0.00 0.00 178.44 179.46 2x6j h GLN 400 N -0.00 0.51 -0.40 1.13 7.50 -1.66 -2.37 115.11 119.82 2x6j h GLN 400 Ca 0.33 -0.16 -0.15 0.00 0.50 0.00 0.00 58.65 59.18 2x6j h GLN 400 Cb 0.51 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.98 2x6j h GLN 400 CO -0.72 0.65 -0.34 -0.07 -1.50 0.00 0.00 178.83 176.85 2x6j h LEU 401 N 0.47 0.97 -0.72 1.46 3.38 0.69 -0.10 115.31 121.47 2x6j h LEU 401 Ca 0.08 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 2x6j h LEU 401 Cb 0.53 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2x6j h LEU 401 CO 0.03 1.21 0.41 0.58 0.09 0.00 0.00 178.44 180.77 2x6j h VAL 402 N 0.77 1.21 -0.64 1.22 2.07 -0.93 -1.43 116.25 118.51 2x6j h VAL 402 Ca 0.07 -0.50 0.05 0.00 0.82 0.00 0.00 66.70 67.15 2x6j h VAL 402 Cb 0.92 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 2x6j h VAL 402 CO 0.09 0.23 0.36 1.56 0.02 0.00 0.00 177.57 179.82 2x6j h GLN 403 N 0.98 0.66 -0.07 1.57 1.08 -1.13 -1.51 115.11 116.69 2x6j h GLN 403 Ca 0.26 -0.04 0.02 0.00 -1.45 0.00 0.00 58.65 57.44 2x6j h GLN 403 Cb 0.00 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.28 2x6j h GLN 403 CO -0.04 0.44 0.16 0.00 -0.95 0.00 0.00 178.83 178.43 2x6j h ALA 404 N 1.33 1.43 -0.50 3.87 0.00 0.06 0.33 119.26 125.77 2x6j h ALA 404 Ca 0.28 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 2x6j h ALA 404 Cb 0.15 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2x6j h ALA 404 CO -0.17 -0.20 0.15 -0.07 0.00 0.00 0.00 179.25 178.97 2x6j h LEU 405 N 0.00 0.69 -1.46 0.00 3.38 -0.80 -2.55 115.31 114.56 2x6j h LEU 405 Ca 0.03 -0.10 0.07 0.00 0.09 0.00 0.00 57.88 57.98 2x6j h LEU 405 Cb 0.36 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 2x6j h LEU 405 CO -0.00 0.66 0.45 0.11 0.09 0.00 0.00 178.44 179.74 2x6j h LYS 406 N 0.73 0.62 -6.51 1.13 1.57 -0.43 -3.39 116.57 110.30 2x6j h LYS 406 Ca 0.17 -0.04 -0.53 0.00 -1.87 0.00 0.00 60.65 58.38 2x6j h LYS 406 Cb 0.22 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.40 2x6j h LYS 406 CO -0.01 0.41 0.57 0.71 -0.57 0.00 0.00 179.45 180.56 2x6j s TYR 407 N -5.58 3.43 1.00 -1.35 4.12 -0.96 -4.98 117.35 113.03 2x6j s TYR 407 Ca -0.09 1.30 -0.19 0.00 0.02 0.00 0.00 57.07 58.11 2x6j s TYR 407 Cb 0.19 -3.43 0.01 0.00 -1.52 0.00 0.00 41.96 37.21 2x6j s TYR 407 CO 0.76 -1.31 -0.46 0.39 0.02 0.00 0.00 175.55 174.95 2x6j n GLU 408 N 3.74 -1.07 -4.25 -0.62 1.02 -1.26 -4.90 120.64 113.30 2x6j n GLU 408 Ca 0.08 -0.31 -0.35 0.00 -0.02 0.00 0.00 57.16 56.56 2x6j n GLU 408 Cb 0.46 -1.35 -0.09 0.00 -0.02 0.00 0.00 31.44 30.44 2x6j n GLU 408 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2x6j s ASP 409 N -1.51 5.42 0.38 1.62 -1.08 -1.26 -5.00 116.67 115.25 2x6j s ASP 409 Ca 0.40 0.16 0.07 0.00 -0.52 0.00 0.00 52.55 52.65 2x6j s ASP 409 Cb -0.02 -1.66 0.77 0.00 -1.46 0.00 0.00 42.92 40.55 2x6j s ASP 409 CO 0.53 0.33 1.97 -0.65 0.52 0.00 0.00 175.17 177.87 2x6j h PRO 410 N 5.52 0.46 -0.42 4.34 0.11 -1.93 -2.59 132.00 137.48 2x6j h PRO 410 Ca -0.47 -0.06 0.10 0.00 0.11 0.00 0.00 66.00 65.67 2x6j h PRO 410 Cb 1.19 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2x6j h PRO 410 CO 0.58 0.41 0.29 0.00 -0.21 0.00 0.00 178.00 179.08 2x6j h ARG 411 N 0.45 0.10 -0.59 1.05 3.08 -1.99 -0.56 114.38 115.93 2x6j h ARG 411 Ca 0.11 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 2x6j h ARG 411 Cb 0.16 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 2x6j h ARG 411 CO -0.01 0.07 -0.03 1.25 -1.07 0.00 0.00 179.97 180.18 2x6j h HIS 412 N 0.10 1.16 -0.16 3.04 2.76 -1.89 -1.64 115.15 118.52 2x6j h HIS 412 Ca 0.20 -0.21 -0.17 0.00 -2.20 0.00 0.00 60.37 57.99 2x6j h HIS 412 Cb 0.64 -0.30 0.01 0.00 1.55 0.00 0.00 27.41 29.31 2x6j h HIS 412 CO -0.00 1.04 -0.54 0.82 -1.30 0.00 0.00 177.93 177.95 2x6j h ILE 413 N 0.95 1.32 -0.16 6.26 2.04 -1.24 -2.82 117.51 123.86 2x6j h ILE 413 Ca 0.16 -1.79 -0.12 0.00 1.00 0.00 0.00 64.86 64.11 2x6j h ILE 413 Cb 0.60 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 2x6j h ILE 413 CO 0.04 0.56 -0.41 -0.37 0.00 0.00 0.00 178.15 177.96 2x6j h VAL 414 N 0.33 1.31 -0.33 1.67 -1.51 -1.19 0.96 116.25 117.50 2x6j h VAL 414 Ca -0.02 -1.56 -0.04 0.00 -1.23 0.00 0.00 66.70 63.85 2x6j h VAL 414 Cb 1.17 1.64 -0.01 0.00 -2.13 0.00 0.00 31.29 31.95 2x6j h VAL 414 CO 0.12 0.48 0.05 -0.74 -1.23 0.00 0.00 177.57 176.24 2x6j h HIS 415 N 0.32 0.58 -0.47 5.19 -0.00 -1.34 0.42 115.15 119.84 2x6j h HIS 415 Ca 0.03 -0.08 -0.09 0.00 -0.00 0.00 0.00 60.37 60.22 2x6j h HIS 415 Cb 0.86 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 28.10 2x6j h HIS 415 CO 0.02 0.62 -0.08 1.25 -0.00 0.00 0.00 177.93 179.74 2x6j h LEU 416 N 0.37 0.82 -0.25 0.26 5.85 -1.30 0.13 115.31 121.19 2x6j h LEU 416 Ca 0.10 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 2x6j h LEU 416 Cb 0.35 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2x6j h LEU 416 CO 0.01 0.93 0.08 -0.74 -0.34 0.00 0.00 178.44 178.37 2x6j h HIS 417 N 0.76 0.40 0.00 1.25 2.76 -0.63 -1.96 115.15 117.73 2x6j h HIS 417 Ca 0.13 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.26 2x6j h HIS 417 Cb 0.57 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.42 2x6j h HIS 417 CO 0.03 0.45 -0.01 0.78 -1.30 0.00 0.00 177.93 177.88 2x6j h GLY 418 N 0.23 0.00 1.77 5.26 0.00 0.20 -1.97 103.07 108.56 2x6j h GLY 418 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.26 2x6j h GLY 418 CO -0.00 0.00 -0.82 0.00 0.00 0.00 0.00 176.54 175.72 2x6j n ILE 420 N -3.18 0.66 -4.39 0.00 2.08 -0.86 -5.06 119.36 108.61 2x6j n ILE 420 Ca -0.01 -0.83 -0.21 0.00 0.56 0.00 0.00 62.75 62.25 2x6j n ILE 420 Cb 0.81 0.74 -0.09 0.00 -0.75 0.00 0.00 39.64 40.36 2x6j n ILE 420 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 2x6j s PHE 421 N -0.96 1.70 0.09 1.39 0.08 -0.79 -5.08 117.98 114.41 2x6j s PHE 421 Ca 0.19 -1.39 -0.19 0.00 0.12 0.00 0.00 56.93 55.66 2x6j s PHE 421 Cb 0.11 -0.94 -0.08 0.00 -0.57 0.00 0.00 43.02 41.53 2x6j s PHE 421 CO 0.14 -0.50 1.60 -1.00 -0.10 0.00 0.00 175.22 175.37 2x6j h PRO 422 N 2.05 0.37 0.00 0.24 0.13 -1.87 -3.46 132.00 129.46 2x6j h PRO 422 Ca -0.33 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2x6j h PRO 422 Cb 1.25 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2x6j h PRO 422 CO 0.51 0.45 0.00 0.39 -0.23 0.00 0.00 178.00 179.12 2x6j n GLU 423 N -4.76 0.00 0.00 0.86 1.02 -1.26 -5.13 120.64 111.38 2x6j n GLU 423 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2x6j n GLU 423 Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.58 2x6j n GLU 423 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2x6j n ALA 531 N 10.81 0.00 -2.35 0.62 0.00 -1.26 -5.19 120.51 123.14 2x6j n ALA 531 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2x6j n ALA 531 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2x6j n ALA 531 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2x6j s ASN 532 N -4.00 0.86 0.02 0.00 0.01 -1.26 -4.82 114.94 105.74 2x6j s ASN 532 Ca 0.00 -0.87 -0.07 0.00 -0.71 0.00 0.00 52.86 51.21 2x6j s ASN 532 Cb 0.00 0.11 -0.03 0.00 0.41 0.00 0.00 41.25 41.74 2x6j s ASN 532 CO 0.00 -0.43 1.10 0.25 -1.51 0.00 0.00 177.10 176.51 2x6j h LEU 533 N 3.45 -0.28 -0.50 0.60 6.46 -1.98 0.44 115.31 123.50 2x6j h LEU 533 Ca -0.35 0.03 0.06 0.00 -0.12 0.00 0.00 57.88 57.49 2x6j h LEU 533 Cb 1.17 0.10 -0.05 0.00 -0.73 0.00 0.00 40.66 41.15 2x6j h LEU 533 CO 0.58 -0.11 0.21 0.00 -0.62 0.00 0.00 178.44 178.50 2x6j h THR 535 N 0.42 0.54 0.01 0.00 1.35 -1.92 -1.26 112.91 112.05 2x6j h THR 535 Ca 0.23 -0.04 0.02 0.00 -0.55 0.00 0.00 66.41 66.07 2x6j h THR 535 Cb 0.20 0.40 -0.03 0.00 -1.73 0.00 0.00 68.15 66.98 2x6j h THR 535 CO -0.20 0.02 -0.18 0.15 -0.25 0.00 0.00 175.52 175.06 2x6j h PHE 536 N 0.13 -0.47 -0.90 4.73 3.04 0.96 0.21 116.94 124.65 2x6j h PHE 536 Ca 0.30 0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.33 2x6j h PHE 536 Cb 0.47 0.21 -0.06 0.00 2.56 0.00 0.00 35.95 39.13 2x6j h PHE 536 CO -0.34 -0.26 0.58 -0.07 -2.02 0.00 0.00 178.31 176.20 2x6j h LEU 537 N -0.30 0.88 0.34 0.59 3.38 -0.61 0.21 115.31 119.80 2x6j h LEU 537 Ca 0.05 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2x6j h LEU 537 Cb 0.37 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2x6j h LEU 537 CO -0.16 0.56 -0.16 0.40 0.09 0.00 0.00 178.44 179.17 2x6j h ILE 538 N 1.00 0.45 -0.89 1.22 2.04 -0.38 -0.00 117.51 120.94 2x6j h ILE 538 Ca 0.39 -0.73 0.15 0.00 1.00 0.00 0.00 64.86 65.67 2x6j h ILE 538 Cb 0.23 0.71 -0.10 0.00 -0.74 0.00 0.00 36.82 36.92 2x6j h ILE 538 CO -0.15 0.10 0.49 -0.61 0.00 0.00 0.00 178.15 177.98 2x6j h GLN 539 N -0.97 0.67 -0.58 2.37 4.15 -0.31 0.17 115.11 120.61 2x6j h GLN 539 Ca -0.05 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.28 2x6j h GLN 539 Cb 0.51 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 2x6j h GLN 539 CO 0.08 0.44 0.16 0.00 -1.93 0.00 0.00 178.83 177.58 2x6j h ARG 540 N 0.69 0.91 -0.68 1.69 2.47 -0.57 -2.57 114.38 116.33 2x6j h ARG 540 Ca 0.49 -0.21 -0.04 0.00 -1.26 0.00 0.00 59.98 58.95 2x6j h ARG 540 Cb 0.68 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.84 2x6j h ARG 540 CO -0.35 0.84 0.26 0.00 0.56 0.00 0.00 179.97 181.27 2x6j h ALA 541 N 1.04 0.89 0.00 0.04 0.00 0.94 -2.73 119.26 119.44 2x6j h ALA 541 Ca 0.18 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2x6j h ALA 541 Cb 0.32 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2x6j h ALA 541 CO -0.00 0.53 -0.51 0.00 0.00 0.00 0.00 179.25 179.27 2x6j h THR 543 N 0.00 0.98 -3.82 0.00 2.02 -1.14 -3.44 112.91 107.51 2x6j h THR 543 Ca -0.01 -0.14 -0.48 0.00 0.77 0.00 0.00 66.41 66.56 2x6j h THR 543 Cb 0.94 0.53 -0.31 0.00 -1.74 0.00 0.00 68.15 67.57 2x6j h THR 543 CO 0.07 0.07 -0.80 0.21 0.37 0.00 0.00 175.52 175.44 2x6j s ASN 544 N -5.45 1.54 -0.02 4.18 3.84 -1.11 -5.07 114.94 112.85 2x6j s ASN 544 Ca -0.13 -0.25 -0.25 0.00 0.21 0.00 0.00 52.86 52.45 2x6j s ASN 544 Cb 0.12 -0.44 -0.20 0.00 -0.55 0.00 0.00 41.25 40.18 2x6j s ASN 544 CO 0.72 0.09 1.21 0.00 -2.79 0.00 0.00 177.10 176.33 2x6j h ALA 545 N 6.39 0.06 -0.52 1.71 0.00 -1.85 -1.73 119.26 123.31 2x6j h ALA 545 Ca -0.33 -0.32 0.10 0.00 0.00 0.00 0.00 54.91 54.36 2x6j h ALA 545 Cb 1.17 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 2x6j h ALA 545 CO 0.48 -0.10 0.07 0.00 0.00 0.00 0.00 179.25 179.71 2x6j h THR 546 N -0.42 0.67 -0.32 0.00 1.03 -1.94 0.84 112.91 112.77 2x6j h THR 546 Ca 0.00 -0.07 0.06 0.00 -0.01 0.00 0.00 66.41 66.39 2x6j h THR 546 Cb 0.65 0.45 -0.05 0.00 -1.07 0.00 0.00 68.15 68.13 2x6j h THR 546 CO 0.02 0.04 -0.01 0.25 -0.01 0.00 0.00 175.52 175.80 2x6j h LEU 547 N 0.20 -0.15 -0.39 0.00 6.46 -1.86 -2.21 115.31 117.37 2x6j h LEU 547 Ca 0.27 0.07 0.03 0.00 -0.12 0.00 0.00 57.88 58.13 2x6j h LEU 547 Cb 0.38 0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.41 2x6j h LEU 547 CO -0.37 -0.04 0.19 0.00 -0.62 0.00 0.00 178.44 177.59 2x6j h ALA 548 N 1.28 0.48 0.05 1.25 0.00 -0.30 -0.92 119.26 121.09 2x6j h ALA 548 Ca 0.15 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2x6j h ALA 548 Cb 0.21 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2x6j h ALA 548 CO -0.26 -0.18 -0.42 -0.97 0.00 0.00 0.00 179.25 177.42 2x6j h ASN 549 N 0.38 -1.25 -0.93 0.00 -0.00 -0.39 0.15 115.58 113.54 2x6j h ASN 549 Ca 0.17 0.15 -0.00 0.00 -0.00 0.00 0.00 56.30 56.61 2x6j h ASN 549 Cb 0.09 0.48 -0.05 0.00 -0.00 0.00 0.00 38.32 38.85 2x6j h ASN 549 CO -0.13 -0.47 0.58 1.88 -0.00 0.00 0.00 177.43 179.29 2x6j h TYR 550 N -0.60 1.21 -0.83 0.67 0.05 -1.10 -0.92 116.97 115.45 2x6j h TYR 550 Ca 0.04 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.84 2x6j h TYR 550 Cb 0.66 -0.40 -0.04 0.00 1.01 0.00 0.00 36.73 37.96 2x6j h TYR 550 CO -0.40 0.79 0.55 0.35 -1.05 0.00 0.00 178.16 178.40 2x6j h PHE 551 N 1.27 1.03 -0.24 4.88 3.57 -0.71 -2.29 116.94 124.46 2x6j h PHE 551 Ca 0.34 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.86 2x6j h PHE 551 Cb -0.08 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.30 2x6j h PHE 551 CO 0.00 0.64 0.15 -0.92 -2.23 0.00 0.00 178.31 175.95 2x6j h TYR 552 N 1.10 0.30 0.00 0.41 3.20 0.42 -1.94 116.97 120.46 2x6j h TYR 552 Ca 0.31 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.14 2x6j h TYR 552 Cb -0.10 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 2x6j h TYR 552 CO -0.02 0.21 -0.21 -1.49 -1.64 0.00 0.00 178.16 175.01 2x6j h TRP 553 N 0.31 0.00 0.22 -3.82 4.06 -1.08 0.22 115.95 115.86 2x6j h TRP 553 Ca 0.09 0.00 -0.30 0.00 2.06 0.00 0.00 58.89 60.73 2x6j h TRP 553 Cb -0.01 0.00 0.04 0.00 -1.00 0.00 0.00 29.16 28.18 2x6j h TRP 553 CO -0.06 0.21 -1.32 1.88 -3.56 0.00 0.00 178.44 175.60 2x6j h TYR 554 N 0.00 0.90 0.06 0.49 -1.99 -1.31 -3.09 116.97 112.02 2x6j h TYR 554 Ca -0.00 -0.65 -0.00 0.00 2.00 0.00 0.00 58.73 60.08 2x6j h TYR 554 Cb 0.72 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 39.42 2x6j h TYR 554 CO 0.00 1.50 -0.03 -0.07 -0.00 0.00 0.00 178.16 179.57 2x6j h LEU 555 N 0.04 -0.06 -0.87 3.88 3.38 -1.09 -3.21 115.31 117.37 2x6j h LEU 555 Ca -0.23 -0.11 0.23 0.00 0.09 0.00 0.00 57.88 57.86 2x6j h LEU 555 Cb 2.04 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 42.67 2x6j h LEU 555 CO 0.25 0.07 0.28 -1.28 0.09 0.00 0.00 178.44 177.85 2x6j h SER 556 N -0.20 0.10 0.16 -0.43 0.87 -0.64 -1.72 113.55 111.69 2x6j h SER 556 Ca -0.01 0.18 -0.18 0.00 -1.23 0.00 0.00 61.79 60.55 2x6j h SER 556 Cb 0.17 0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2x6j h SER 556 CO 0.01 -0.10 -0.69 0.40 -0.53 0.00 0.00 176.83 175.92 2x6j h ILE 557 N 0.27 1.35 0.00 2.23 2.04 -1.56 -3.19 117.51 118.64 2x6j h ILE 557 Ca 0.55 -2.04 -0.02 0.00 1.00 0.00 0.00 64.86 64.35 2x6j h ILE 557 Cb 1.08 2.01 -0.00 0.00 -0.74 0.00 0.00 36.82 39.17 2x6j h ILE 557 CO -0.61 0.62 -0.08 -0.33 0.00 0.00 0.00 178.15 177.75 2x6j h GLU 558 N 0.34 0.00 0.00 2.37 4.39 -1.32 -3.14 114.58 117.22 2x6j h GLU 558 Ca -0.02 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2x6j h GLU 558 Cb 1.26 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.91 2x6j h GLU 558 CO 0.12 0.08 -1.49 1.33 -1.16 0.00 0.00 179.01 177.89 2x6j n VAL 559 N -4.07 0.40 0.20 3.13 0.24 -1.19 -4.84 118.33 112.19 2x6j n VAL 559 Ca -0.03 -0.54 0.17 0.00 -2.04 0.00 0.00 64.34 61.90 2x6j n VAL 559 Cb 0.17 -0.22 0.67 0.00 -1.47 0.00 0.00 33.84 32.99 2x6j n VAL 559 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 2x6j h GLU 560 N 0.00 0.00 0.00 7.34 4.11 -1.57 -3.49 114.58 120.97 2x6j h GLU 560 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 2x6j h GLU 560 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2x6j h GLU 560 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 179.01 179.44 2x6j n LYS 567 N -3.17 0.04 -0.00 1.06 2.85 -1.26 -5.12 118.16 112.56 2x6j n LYS 567 Ca 0.04 0.08 0.05 0.00 -1.05 0.00 0.00 58.31 57.42 2x6j n LYS 567 Cb 0.64 -1.55 -0.06 0.00 -0.65 0.00 0.00 35.03 33.41 2x6j n LYS 567 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 2x6j n GLN 568 N -1.63 3.61 -0.25 -1.58 -0.06 -1.26 -4.57 117.38 111.65 2x6j n GLN 568 Ca 0.06 -0.01 -0.07 0.00 -2.00 0.00 0.00 57.00 54.99 2x6j n GLN 568 Cb 0.33 -0.97 0.05 0.00 -4.06 0.00 0.00 30.24 25.58 2x6j n GLN 568 CO 0.00 0.00 0.00 0.22 -0.20 0.00 0.00 177.06 177.08 2x6j h ASP 569 N 0.00 0.96 -0.97 1.69 3.58 -2.04 -3.03 116.42 116.62 2x6j h ASP 569 Ca 0.00 -0.17 0.02 0.00 0.42 0.00 0.00 57.03 57.30 2x6j h ASP 569 Cb 0.24 -0.25 -0.05 0.00 1.72 0.00 0.00 39.33 40.99 2x6j h ASP 569 CO 0.00 0.87 0.64 -0.33 -2.88 0.00 0.00 179.24 177.54 2x6j h GLU 570 N 1.00 1.23 -0.16 0.28 3.07 -1.99 -0.14 114.58 117.86 2x6j h GLU 570 Ca 0.23 -0.07 -0.15 0.00 -0.50 0.00 0.00 59.36 58.87 2x6j h GLU 570 Cb 0.20 -0.28 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 2x6j h GLU 570 CO -0.02 0.81 -0.52 0.00 -1.40 0.00 0.00 179.01 177.88 2x6j h ARG 571 N 1.26 0.46 -0.39 2.33 3.08 -1.83 -0.91 114.38 118.39 2x6j h ARG 571 Ca 0.37 -0.28 -0.12 0.00 0.07 0.00 0.00 59.98 60.02 2x6j h ARG 571 Cb -0.07 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2x6j h ARG 571 CO -0.10 0.87 -0.24 0.00 -1.07 0.00 0.00 179.97 179.43 2x6j h ALA 572 N 1.08 0.55 -0.17 0.04 0.00 -1.37 -2.45 119.26 116.94 2x6j h ALA 572 Ca 0.01 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.57 2x6j h ALA 572 Cb 1.03 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2x6j h ALA 572 CO 0.09 0.54 -0.04 1.25 0.00 0.00 0.00 179.25 181.09 2x6j h HIS 573 N 0.65 -0.09 -0.57 0.00 -0.00 -0.88 -1.74 115.15 112.52 2x6j h HIS 573 Ca 0.08 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.49 2x6j h HIS 573 Cb 0.81 0.07 -0.04 0.00 -0.00 0.00 0.00 27.41 28.25 2x6j h HIS 573 CO 0.06 -0.07 0.34 -0.44 -0.00 0.00 0.00 177.93 177.81 2x6j h ASP 574 N -0.00 0.54 -0.15 3.26 3.32 -1.12 -0.97 116.42 121.29 2x6j h ASP 574 Ca 0.08 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.18 2x6j h ASP 574 Cb 0.13 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 2x6j h ASP 574 CO -0.17 0.38 -0.08 -0.03 -1.72 0.00 0.00 179.24 177.62 2x6j h MET 575 N 0.67 -0.06 -0.85 3.56 1.85 -1.23 -2.24 114.93 116.62 2x6j h MET 575 Ca 0.23 0.00 0.12 0.00 -0.61 0.00 0.00 59.70 59.45 2x6j h MET 575 Cb 0.04 0.01 -0.08 0.00 0.43 0.00 0.00 31.60 32.00 2x6j h MET 575 CO -0.11 -0.04 0.46 1.88 -0.40 0.00 0.00 176.91 178.70 2x6j h TYR 576 N -0.07 0.83 -0.93 1.39 -1.99 -0.39 -1.42 116.97 114.39 2x6j h TYR 576 Ca 0.09 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.88 2x6j h TYR 576 Cb 0.20 -0.24 -0.05 0.00 2.00 0.00 0.00 36.73 38.63 2x6j h TYR 576 CO -0.22 0.27 0.61 0.00 -0.00 0.00 0.00 178.16 178.82 2x6j h ALA 577 N 1.51 1.22 -0.71 3.88 0.00 -0.63 -2.19 119.26 122.34 2x6j h ALA 577 Ca 0.44 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 2x6j h ALA 577 Cb 0.52 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2x6j h ALA 577 CO -0.30 0.51 0.29 0.52 0.00 0.00 0.00 179.25 180.27 2x6j h MET 578 N 1.21 1.05 -0.35 0.00 2.86 -0.84 -2.79 114.93 116.06 2x6j h MET 578 Ca 0.36 -0.19 -0.06 0.00 -2.06 0.00 0.00 59.70 57.75 2x6j h MET 578 Cb -0.05 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.42 2x6j h MET 578 CO -0.11 0.86 -0.04 0.28 1.06 0.00 0.00 176.91 178.97 2x6j h VAL 579 N 1.00 1.22 -0.20 -2.22 2.07 -1.12 -1.49 116.25 115.51 2x6j h VAL 579 Ca 0.24 -0.90 -0.09 0.00 0.82 0.00 0.00 66.70 66.76 2x6j h VAL 579 Cb 0.20 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2x6j h VAL 579 CO -0.02 0.31 -0.22 0.25 0.02 0.00 0.00 177.57 177.91 2x6j h LEU 580 N 0.54 0.53 -0.74 2.57 6.46 -1.31 -1.87 115.31 121.49 2x6j h LEU 580 Ca 0.11 -0.49 -0.07 0.00 -0.12 0.00 0.00 57.88 57.31 2x6j h LEU 580 Cb 0.41 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.16 2x6j h LEU 580 CO 0.02 0.92 0.17 0.11 -0.62 0.00 0.00 178.44 179.03 2x6j h LYS 581 N 0.16 1.13 0.50 1.25 6.56 -1.21 -0.38 116.57 124.57 2x6j h LYS 581 Ca 0.03 -0.27 -0.02 0.00 -1.06 0.00 0.00 60.65 59.32 2x6j h LYS 581 Cb 0.78 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 32.29 2x6j h LYS 581 CO 0.05 0.99 -0.24 0.52 -2.06 0.00 0.00 179.45 178.72 2x6j h MET 582 N 1.07 -0.64 -0.92 3.15 2.86 -1.32 -0.65 114.93 118.48 2x6j h MET 582 Ca 0.22 0.04 0.20 0.00 -2.06 0.00 0.00 59.70 58.10 2x6j h MET 582 Cb 0.37 0.15 -0.11 0.00 0.06 0.00 0.00 31.60 32.07 2x6j h MET 582 CO 0.00 -0.38 0.47 0.35 1.06 0.00 0.00 176.91 178.41 2x6j h PHE 583 N -0.76 0.81 -0.20 -0.22 3.57 -1.06 0.67 116.94 119.76 2x6j h PHE 583 Ca -0.07 0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.30 2x6j h PHE 583 Cb 0.55 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 2x6j h PHE 583 CO -0.02 0.08 -0.57 -0.07 -2.23 0.00 0.00 178.31 175.50 2x6j h LEU 584 N 0.55 0.71 -0.67 0.59 3.38 -0.91 -2.74 115.31 116.23 2x6j h LEU 584 Ca 0.55 -0.39 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 2x6j h LEU 584 Cb 0.94 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2x6j h LEU 584 CO -0.45 1.13 -0.48 0.50 0.09 0.00 0.00 178.44 179.24 2x6j h LYS 585 N 0.48 0.46 -0.78 1.13 1.63 0.51 -2.36 116.57 117.65 2x6j h LYS 585 Ca 0.00 -0.26 -0.01 0.00 -0.85 0.00 0.00 60.65 59.53 2x6j h LYS 585 Cb 1.14 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.75 2x6j h LYS 585 CO 0.11 0.84 0.44 0.28 -3.45 0.00 0.00 179.45 177.68 2x6j h VAL 586 N 0.37 1.23 -0.45 2.00 2.07 -0.93 -2.17 116.25 118.38 2x6j h VAL 586 Ca 0.02 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 2x6j h VAL 586 Cb 0.97 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 2x6j h VAL 586 CO 0.09 0.24 0.21 -0.07 0.02 0.00 0.00 177.57 178.06 2x6j h LEU 587 N 1.07 0.59 -0.60 2.57 3.38 -1.16 -2.45 115.31 118.70 2x6j h LEU 587 Ca 0.28 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 2x6j h LEU 587 Cb 0.00 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2x6j h LEU 587 CO -0.05 0.56 0.08 -0.33 0.09 0.00 0.00 178.44 178.79 2x6j h GLU 588 N 0.58 1.01 0.00 1.13 5.08 -1.19 -1.29 114.58 119.90 2x6j h GLU 588 Ca 0.15 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2x6j h GLU 588 Cb 0.13 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2x6j h GLU 588 CO -0.02 0.96 0.00 0.09 -1.00 0.00 0.00 179.01 179.04 2x6j n ASN 589 N -4.28 0.00 -4.77 1.42 3.02 -0.84 -4.84 115.26 104.97 2x6j n ASN 589 Ca 0.03 -0.80 -0.34 0.00 -0.03 0.00 0.00 54.58 53.45 2x6j n ASN 589 Cb 0.29 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.50 2x6j n ASN 589 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2x6j s GLY 590 N -1.97 2.29 0.98 7.41 0.00 -0.50 -5.02 107.32 110.50 2x6j s GLY 590 Ca 0.35 0.62 -0.14 0.00 0.00 0.00 0.00 44.72 45.56 2x6j s GLY 590 CO 0.27 0.98 0.33 1.16 0.00 0.00 0.00 173.10 175.84 2x6j n ASN 591 N -2.12 -2.17 -0.27 1.64 0.23 -1.26 -4.53 115.26 106.77 2x6j n ASN 591 Ca 0.11 0.26 0.18 0.00 -0.53 0.00 0.00 54.58 54.60 2x6j n ASN 591 Cb 0.52 -1.16 0.35 0.00 -2.08 0.00 0.00 39.78 37.40 2x6j n ASN 591 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 2x6j n PHE 592 N -3.72 0.71 -0.13 -2.53 0.99 -1.26 -1.64 117.46 109.89 2x6j n PHE 592 Ca 0.06 0.97 -0.10 0.00 -0.00 0.00 0.00 57.45 58.37 2x6j n PHE 592 Cb 0.55 -1.23 -0.02 0.00 -1.00 0.00 0.00 39.48 37.78 2x6j n PHE 592 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 2x6j h ASN 593 N 0.00 0.64 0.11 4.37 2.35 -1.97 -1.58 115.58 119.51 2x6j h ASN 593 Ca 0.58 -0.30 0.01 0.00 -0.55 0.00 0.00 56.30 56.04 2x6j h ASN 593 Cb 1.39 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 39.56 2x6j h ASN 593 CO -0.70 0.79 -0.16 -0.07 -1.65 0.00 0.00 177.43 175.63 2x6j h LEU 594 N 0.48 -0.45 -1.19 1.61 3.38 -1.59 -0.18 115.31 117.37 2x6j h LEU 594 Ca 0.11 0.05 0.22 0.00 0.09 0.00 0.00 57.88 58.35 2x6j h LEU 594 Cb 0.45 0.17 -0.10 0.00 0.09 0.00 0.00 40.66 41.27 2x6j h LEU 594 CO 0.02 -0.24 0.62 0.03 0.09 0.00 0.00 178.44 178.96 2x6j h ARG 595 N -0.33 0.57 -0.19 1.13 3.08 -1.38 0.13 114.38 117.39 2x6j h ARG 595 Ca 0.02 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 2x6j h ARG 595 Cb 0.34 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2x6j h ARG 595 CO -0.08 0.38 -0.01 0.78 -1.07 0.00 0.00 179.97 179.96 2x6j h GLY 596 N 0.59 0.38 0.80 0.04 0.00 -0.24 0.10 103.07 104.74 2x6j h GLY 596 Ca 0.57 -0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.64 2x6j h GLY 596 CO -0.33 0.27 0.07 -2.22 0.00 0.00 0.00 176.54 174.32 2x6j h ILE 597 N 0.09 0.93 -0.20 2.60 2.04 0.42 -1.59 117.51 121.80 2x6j h ILE 597 Ca 0.05 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.89 2x6j h ILE 597 Cb 0.42 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 2x6j h ILE 597 CO 0.01 0.03 -0.03 0.15 0.00 0.00 0.00 178.15 178.32 2x6j h PHE 598 N 0.17 -0.06 -0.96 1.37 3.57 -0.63 -0.47 116.94 119.93 2x6j h PHE 598 Ca 0.10 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.62 2x6j h PHE 598 Cb 0.08 0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 2x6j h PHE 598 CO -0.13 -0.06 0.63 -0.92 -2.23 0.00 0.00 178.31 175.60 2x6j h TYR 599 N 0.03 1.21 -0.84 0.41 -0.00 -0.59 -1.67 116.97 115.52 2x6j h TYR 599 Ca 0.10 0.02 0.03 0.00 -0.00 0.00 0.00 58.73 58.88 2x6j h TYR 599 Cb 0.13 -0.41 -0.05 0.00 -0.00 0.00 0.00 36.73 36.41 2x6j h TYR 599 CO -0.20 0.77 0.54 -0.91 -0.00 0.00 0.00 178.16 178.36 2x6j h ASN 600 N 1.30 0.91 -0.67 -2.11 2.35 -0.41 -1.21 115.58 115.74 2x6j h ASN 600 Ca 0.35 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.08 2x6j h ASN 600 Cb -0.14 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 37.99 2x6j h ASN 600 CO -0.07 0.63 0.38 -0.07 -1.65 0.00 0.00 177.43 176.64 2x6j h LEU 601 N 1.06 0.82 -0.11 1.61 3.38 -0.23 -1.41 115.31 120.43 2x6j h LEU 601 Ca 0.33 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2x6j h LEU 601 Cb -0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2x6j h LEU 601 CO -0.11 0.67 0.07 0.03 0.09 0.00 0.00 178.44 179.19 2x6j h ARG 602 N 0.91 0.14 -0.43 1.13 3.08 -0.93 -1.67 114.38 116.61 2x6j h ARG 602 Ca 0.24 -0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.36 2x6j h ARG 602 Cb 0.02 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 29.96 2x6j h ARG 602 CO -0.04 0.09 -0.08 0.87 -1.07 0.00 0.00 179.97 179.74 2x6j h LYS 603 N 0.14 0.02 -0.16 0.04 1.57 -0.97 -0.79 116.57 116.43 2x6j h LYS 603 Ca 0.04 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 2x6j h LYS 603 Cb -0.01 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 2x6j h LYS 603 CO -0.01 0.01 -0.10 1.96 -0.57 0.00 0.00 179.45 180.75 2x6j h GLN 604 N 0.02 -0.09 0.23 3.15 4.20 -0.90 -1.46 115.11 120.27 2x6j h GLN 604 Ca 0.21 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 2x6j h GLN 604 Cb 0.32 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2x6j h GLN 604 CO -0.42 -0.06 -0.11 -0.09 -0.67 0.00 0.00 178.83 177.48 2x6j h ARG 605 N -0.09 -0.30 -0.67 1.46 2.43 -0.57 0.11 114.38 116.74 2x6j h ARG 605 Ca 0.09 0.02 0.14 0.00 -0.81 0.00 0.00 59.98 59.42 2x6j h ARG 605 Cb 0.23 0.07 -0.13 0.00 -0.42 0.00 0.00 29.97 29.72 2x6j h ARG 605 CO -0.22 -0.10 -0.16 0.00 -1.51 0.00 0.00 179.97 177.98 2x6j h ARG 606 N -0.45 0.00 -0.04 0.20 3.08 -1.04 0.19 114.38 116.32 2x6j h ARG 606 Ca -0.03 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.04 2x6j h ARG 606 Cb 0.34 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 2x6j h ARG 606 CO 0.05 0.00 -0.11 0.35 -1.07 0.00 0.00 179.97 179.20 2x6j h PHE 607 N 0.00 -0.27 -0.99 3.04 3.04 -0.81 -2.19 116.94 118.76 2x6j h PHE 607 Ca 0.33 0.01 0.08 0.00 3.98 0.00 0.00 57.97 62.37 2x6j h PHE 607 Cb 0.50 0.13 -0.07 0.00 2.56 0.00 0.00 35.95 39.07 2x6j h PHE 607 CO -0.54 -0.17 0.63 0.82 -2.02 0.00 0.00 178.31 177.04 2x6j h ILE 608 N -0.17 1.04 -0.06 1.41 1.08 0.19 -1.91 117.51 119.09 2x6j h ILE 608 Ca 0.05 -0.38 -0.17 0.00 -0.39 0.00 0.00 64.86 63.98 2x6j h ILE 608 Cb 0.24 -0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 33.81 2x6j h ILE 608 CO -0.14 0.20 -0.69 0.44 -0.69 0.00 0.00 178.15 177.27 2x6j h ASP 609 N 1.10 0.34 -0.57 1.72 3.32 -0.77 0.10 116.42 121.66 2x6j h ASP 609 Ca 0.44 -0.22 -0.08 0.00 0.02 0.00 0.00 57.03 57.20 2x6j h ASP 609 Cb 0.26 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2x6j h ASP 609 CO -0.20 0.93 0.04 -0.33 -1.72 0.00 0.00 179.24 177.96 2x6j h GLU 610 N 0.20 1.00 -0.05 3.56 4.39 -0.89 -1.53 114.58 121.25 2x6j h GLU 610 Ca -0.02 -0.28 -0.16 0.00 0.34 0.00 0.00 59.36 59.24 2x6j h GLU 610 Cb 1.25 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 2x6j h GLU 610 CO 0.11 0.96 -0.68 1.25 -1.16 0.00 0.00 179.01 179.49 2x6j h LEU 611 N 0.93 0.28 -0.06 1.33 6.46 -0.97 -1.97 115.31 121.30 2x6j h LEU 611 Ca 0.18 -0.17 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2x6j h LEU 611 Cb 0.48 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.33 2x6j h LEU 611 CO 0.02 0.87 0.04 0.58 -0.62 0.00 0.00 178.44 179.33 2x6j h VAL 612 N 0.16 1.06 0.04 1.05 2.07 -0.62 -0.92 116.25 119.09 2x6j h VAL 612 Ca -0.02 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.36 2x6j h VAL 612 Cb 1.22 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 2x6j h VAL 612 CO 0.10 0.05 -0.20 0.11 0.02 0.00 0.00 177.57 177.65 2x6j h LYS 613 N 0.03 -0.33 -0.44 1.57 1.57 -1.19 -0.17 116.57 117.60 2x6j h LYS 613 Ca 0.02 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.91 2x6j h LYS 613 Cb 0.05 0.08 -0.08 0.00 0.08 0.00 0.00 32.23 32.35 2x6j h LYS 613 CO -0.00 -0.22 -0.11 1.25 -0.57 0.00 0.00 179.45 179.79 2x6j h LEU 614 N -0.35 -0.42 -0.94 2.94 5.85 -1.27 -0.55 115.31 120.57 2x6j h LEU 614 Ca 0.05 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.93 2x6j h LEU 614 Cb 0.40 0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 2x6j h LEU 614 CO -0.16 -0.15 0.62 0.58 -0.34 0.00 0.00 178.44 178.99 2x6j h VAL 615 N -0.00 1.19 -0.45 1.05 2.07 -0.67 -1.57 116.25 117.86 2x6j h VAL 615 Ca 0.21 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.33 2x6j h VAL 615 Cb 0.33 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 2x6j h VAL 615 CO -0.46 0.22 0.30 0.11 0.02 0.00 0.00 177.57 177.76 2x6j h LYS 616 N 1.22 0.54 0.01 1.57 1.57 0.46 0.11 116.57 122.04 2x6j h LYS 616 Ca 0.36 -0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 58.92 2x6j h LYS 616 Cb -0.05 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 2x6j h LYS 616 CO -0.10 0.36 -0.88 -0.07 -0.57 0.00 0.00 179.45 178.18 2x6j h LEU 617 N 0.56 0.15 -0.10 2.94 3.38 -0.32 -2.44 115.31 119.48 2x6j h LEU 617 Ca 0.17 -0.13 -0.24 0.00 0.09 0.00 0.00 57.88 57.78 2x6j h LEU 617 Cb 0.01 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2x6j h LEU 617 CO -0.04 0.95 -1.01 0.58 0.09 0.00 0.00 178.44 179.01 2x6j h VAL 618 N 0.06 1.41 -0.50 1.22 2.07 -0.50 -3.21 116.25 116.80 2x6j h VAL 618 Ca -0.03 -2.55 -0.07 0.00 0.82 0.00 0.00 66.70 64.87 2x6j h VAL 618 Cb 1.53 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 33.80 2x6j h VAL 618 CO 0.13 0.76 0.02 0.00 0.02 0.00 0.00 177.57 178.50 2x6j h ALA 619 N 0.68 1.09 -0.84 1.67 0.00 -0.85 -3.16 119.26 117.86 2x6j h ALA 619 Ca -0.10 -0.26 0.15 0.00 0.00 0.00 0.00 54.91 54.70 2x6j h ALA 619 Cb 1.67 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 19.16 2x6j h ALA 619 CO 0.17 0.58 0.42 -0.22 0.00 0.00 0.00 179.25 180.20 2x6j h LYS 620 N 0.77 0.58 -6.75 0.00 3.64 -1.43 -3.43 116.57 109.96 2x6j h LYS 620 Ca 0.15 -0.03 -0.53 0.00 -1.27 0.00 0.00 60.65 58.97 2x6j h LYS 620 Cb 0.44 -0.13 0.07 0.00 -0.41 0.00 0.00 32.23 32.20 2x6j h LYS 620 CO 0.02 0.38 0.90 -2.00 -2.27 0.00 0.00 179.45 176.48 2x6j s GLU 621 N -5.97 4.15 0.40 1.90 2.12 -1.20 -4.91 118.70 115.18 2x6j s GLU 621 Ca -0.12 2.53 0.17 0.00 0.36 0.00 0.00 54.97 57.91 2x6j s GLU 621 Cb 0.22 -3.06 0.83 0.00 0.26 0.00 0.00 34.13 32.38 2x6j s GLU 621 CO 0.78 -0.63 1.83 -1.35 -0.54 0.00 0.00 175.26 175.35 2x6j h PRO 622 N 5.48 0.00 -6.57 4.30 0.11 -1.91 -3.47 132.00 129.94 2x6j h PRO 622 Ca -0.46 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.08 2x6j h PRO 622 Cb 1.21 0.00 0.18 0.00 0.11 0.00 0.00 31.00 32.50 2x6j h PRO 622 CO 0.84 0.34 -0.39 0.41 -0.21 0.00 0.00 178.00 178.98 2x6j n GLY 623 N -0.24 -1.51 3.48 -0.55 0.00 -1.26 -4.94 105.19 100.17 2x6j n GLY 623 Ca -0.01 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 2x6j n GLY 623 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2x6j n ASN 624 N 0.19 -1.17 -0.28 1.61 2.85 -1.26 -4.55 115.26 112.65 2x6j n ASN 624 Ca 0.11 0.50 0.02 0.00 -0.11 0.00 0.00 54.58 55.11 2x6j n ASN 624 Cb 0.49 -1.26 0.10 0.00 1.24 0.00 0.00 39.78 40.35 2x6j n ASN 624 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 2x6j h ARG 625 N -0.85 0.00 -0.96 1.20 2.43 -1.98 0.15 114.38 114.37 2x6j h ARG 625 Ca -0.45 -0.00 0.09 0.00 -0.81 0.00 0.00 59.98 58.81 2x6j h ARG 625 Cb 1.32 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.80 2x6j h ARG 625 CO 0.40 0.00 0.61 -0.97 -1.51 0.00 0.00 179.97 178.50 2x6j h ASN 626 N 0.00 0.94 0.26 -3.80 -0.73 -1.97 0.90 115.58 111.18 2x6j h ASN 626 Ca 0.38 0.03 -0.08 0.00 1.87 0.00 0.00 56.30 58.50 2x6j h ASN 626 Cb 0.59 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 39.00 2x6j h ASN 626 CO -0.81 0.56 -0.32 0.11 -0.37 0.00 0.00 177.43 176.60 2x6j h LYS 627 N 1.05 0.11 -0.10 6.67 1.57 -1.12 -2.95 116.57 121.80 2x6j h LYS 627 Ca 0.44 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.99 2x6j h LYS 627 Cb 0.29 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 2x6j h LYS 627 CO -0.21 0.42 -0.74 0.87 -0.57 0.00 0.00 179.45 179.22 2x6j h LYS 628 N 0.10 0.51 -0.57 3.15 1.57 0.12 -2.48 116.57 118.97 2x6j h LYS 628 Ca 0.01 -0.42 -0.02 0.00 -1.87 0.00 0.00 60.65 58.36 2x6j h LYS 628 Cb 0.62 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 2x6j h LYS 628 CO 0.05 1.05 0.28 1.79 -0.57 0.00 0.00 179.45 182.04 2x6j h THR 629 N 0.35 1.20 -0.72 -0.16 1.35 -1.00 -0.55 112.91 113.38 2x6j h THR 629 Ca -0.04 -0.56 -0.03 0.00 -0.55 0.00 0.00 66.41 65.24 2x6j h THR 629 Cb 1.33 0.53 -0.03 0.00 -1.73 0.00 0.00 68.15 68.24 2x6j h THR 629 CO 0.13 0.23 0.35 1.05 -0.25 0.00 0.00 175.52 177.03 2x6j h GLU 630 N 0.77 1.03 -0.27 4.72 4.11 -1.46 -0.34 114.58 123.14 2x6j h GLU 630 Ca 0.20 -0.15 -0.01 0.00 0.07 0.00 0.00 59.36 59.47 2x6j h GLU 630 Cb 0.11 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2x6j h GLU 630 CO -0.03 0.80 0.12 -0.22 0.07 0.00 0.00 179.01 179.76 2x6j h LYS 631 N 1.00 0.39 -0.18 1.06 1.63 -1.28 -2.66 116.57 116.53 2x6j h LYS 631 Ca 0.25 -0.06 0.04 0.00 -0.85 0.00 0.00 60.65 60.03 2x6j h LYS 631 Cb 0.11 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.63 2x6j h LYS 631 CO -0.03 0.40 -0.09 0.35 -3.45 0.00 0.00 179.45 176.63 2x6j h PHE 632 N 0.29 -0.22 -0.94 1.91 3.04 -0.56 -1.28 116.94 119.18 2x6j h PHE 632 Ca 0.09 0.02 0.09 0.00 3.98 0.00 0.00 57.97 62.15 2x6j h PHE 632 Cb 0.15 0.13 -0.07 0.00 2.56 0.00 0.00 35.95 38.72 2x6j h PHE 632 CO -0.01 -0.15 0.61 1.96 -2.02 0.00 0.00 178.31 178.70 2x6j h GLN 633 N -0.08 0.97 -0.20 1.11 4.20 -1.02 -1.96 115.11 118.14 2x6j h GLN 633 Ca 0.10 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.60 2x6j h GLN 633 Cb 0.23 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2x6j h GLN 633 CO -0.23 0.64 -0.49 0.87 -0.67 0.00 0.00 178.83 178.95 2x6j h LYS 634 N 1.00 0.54 -0.16 1.46 1.79 -0.98 -2.39 116.57 117.83 2x6j h LYS 634 Ca 0.43 -0.31 -0.05 0.00 -2.18 0.00 0.00 60.65 58.54 2x6j h LYS 634 Cb 0.33 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 2x6j h LYS 634 CO -0.19 0.91 -0.14 -0.07 -1.08 0.00 0.00 179.45 178.88 2x6j h LEU 635 N 0.43 0.24 -0.27 2.94 -0.00 -0.51 -2.74 115.31 115.40 2x6j h LEU 635 Ca 0.02 -0.05 -0.21 0.00 -0.00 0.00 0.00 57.88 57.64 2x6j h LEU 635 Cb 1.01 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.61 2x6j h LEU 635 CO 0.09 0.40 -0.82 -0.07 -0.00 0.00 0.00 178.44 178.04 2x6j h LEU 636 N 0.24 0.60 -0.26 1.67 3.38 -1.25 -3.32 115.31 116.36 2x6j h LEU 636 Ca 0.05 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2x6j h LEU 636 Cb 0.39 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2x6j h LEU 636 CO 0.02 1.20 0.00 0.00 0.09 0.00 0.00 178.44 179.75 2x6j h ALA 637 N 0.78 1.00 -2.99 1.53 0.00 -1.12 -3.31 119.26 115.15 2x6j h ALA 637 Ca -0.06 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.19 2x6j h ALA 637 Cb 1.43 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.97 2x6j h ALA 637 CO 0.15 0.00 -0.65 -2.00 0.00 0.00 0.00 179.25 176.75 2x6j s GLU 638 N -3.20 3.35 0.78 0.00 2.56 -1.19 -4.93 118.70 116.07 2x6j s GLU 638 Ca 0.08 -0.67 -0.10 0.00 0.00 0.00 0.00 54.97 54.28 2x6j s GLU 638 Cb 0.10 -3.27 0.08 0.00 2.00 0.00 0.00 34.13 33.04 2x6j s GLU 638 CO 0.55 -0.30 1.13 1.14 -0.56 0.00 0.00 175.26 177.22 2x6j s GLN 639 N 1.53 1.96 0.00 4.30 0.00 -1.26 -4.06 119.66 122.13 2x6j s GLN 639 Ca 0.05 -0.06 0.00 0.00 -0.00 0.00 0.00 55.36 55.34 2x6j s GLN 639 Cb -0.16 -2.02 0.00 0.00 0.00 0.00 0.00 33.01 30.83 2x6j s GLN 639 CO 0.02 -1.52 0.00 -0.40 0.00 0.00 0.00 175.29 173.38 2x6j n ASP 640 N -3.20 0.00 -0.25 12.60 5.68 -1.26 -4.71 116.55 125.42 2x6j n ASP 640 Ca 0.09 0.00 0.28 0.00 -0.50 0.00 0.00 54.79 54.65 2x6j n ASP 640 Cb 0.61 -0.23 0.66 0.00 -1.14 0.00 0.00 41.12 41.01 2x6j n ASP 640 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 2x6j h MET 641 N 0.49 0.13 -4.34 0.11 2.86 -1.91 -3.42 114.93 108.85 2x6j h MET 641 Ca 0.00 -0.01 -0.26 0.00 -2.06 0.00 0.00 59.70 57.37 2x6j h MET 641 Cb 0.00 -0.03 -0.23 0.00 0.06 0.00 0.00 31.60 31.40 2x6j h MET 641 CO 0.00 0.08 -0.73 -0.06 1.06 0.00 0.00 176.91 177.27 2x6j s PHE 642 N -5.13 0.50 0.34 -0.22 0.40 -1.26 -5.02 117.98 107.58 2x6j s PHE 642 Ca -0.06 -0.40 0.13 0.00 -0.60 0.00 0.00 56.93 56.00 2x6j s PHE 642 Cb 0.23 -0.31 1.01 0.00 0.51 0.00 0.00 43.02 44.45 2x6j s PHE 642 CO 0.79 -0.09 1.70 0.87 0.70 0.00 0.00 175.22 179.18 2x6j h LYS 643 N 4.91 0.43 -5.46 0.44 1.79 -1.98 -3.29 116.57 113.41 2x6j h LYS 643 Ca -0.33 -0.03 -0.60 0.00 -2.18 0.00 0.00 60.65 57.52 2x6j h LYS 643 Cb 1.20 -0.10 -0.10 0.00 -1.58 0.00 0.00 32.23 31.65 2x6j h LYS 643 CO 0.43 0.28 -0.39 0.08 -1.08 0.00 0.00 179.45 178.78 2x6j s VAL 644 N -5.70 5.35 -0.10 0.50 1.01 -1.26 -5.00 120.40 115.20 2x6j s VAL 644 Ca -0.10 0.41 -0.15 0.00 0.00 0.00 0.00 61.98 62.14 2x6j s VAL 644 Cb 0.29 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 2x6j s VAL 644 CO 0.79 0.43 0.38 0.21 0.00 0.00 0.00 175.10 176.91 2x6j s ASN 645 N 0.23 6.62 0.00 3.32 2.47 -1.24 -4.78 114.94 121.55 2x6j s ASN 645 Ca 0.14 0.73 0.12 0.00 0.42 0.00 0.00 52.86 54.27 2x6j s ASN 645 Cb -0.12 -2.23 -0.21 0.00 -1.45 0.00 0.00 41.25 37.23 2x6j s ASN 645 CO 0.02 0.14 0.81 -0.26 -3.72 0.00 0.00 177.10 174.09 2x6j h PHE 646 N 6.07 0.00 0.00 0.43 -1.00 -1.88 -3.32 116.94 117.24 2x6j h PHE 646 Ca -0.45 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.31 2x6j h PHE 646 Cb 1.19 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.74 2x6j h PHE 646 CO 0.64 0.96 -0.14 1.79 -1.61 0.00 0.00 178.31 179.96 2x6j h THR 647 N 0.00 0.39 -1.86 -1.55 1.35 -1.80 -2.64 112.91 106.81 2x6j h THR 647 Ca -0.22 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.85 2x6j h THR 647 Cb 1.92 1.58 -0.23 0.00 -1.73 0.00 0.00 68.15 69.69 2x6j h THR 647 CO 0.09 0.13 0.24 0.21 -0.25 0.00 0.00 175.52 175.93 2x6j s ASN 648 N -6.01 -0.66 0.18 5.36 3.84 -1.25 -4.77 114.94 111.63 2x6j s ASN 648 Ca -0.00 1.25 -0.06 0.00 0.21 0.00 0.00 52.86 54.25 2x6j s ASN 648 Cb 0.11 1.27 -0.02 0.00 -0.55 0.00 0.00 41.25 42.05 2x6j s ASN 648 CO 0.59 -0.21 0.23 0.72 -2.79 0.00 0.00 177.10 175.64 2x6j s PHE 649 N 0.46 0.66 0.12 0.43 -0.12 -0.74 -4.46 117.98 114.33 2x6j s PHE 649 Ca -0.00 -1.00 -0.31 0.00 -0.05 0.00 0.00 56.93 55.57 2x6j s PHE 649 Cb -0.05 -0.22 -0.09 0.00 -0.63 0.00 0.00 43.02 42.03 2x6j s PHE 649 CO -0.03 -0.71 1.51 -1.21 -0.05 0.00 0.00 175.22 174.73 2x6j s GLU 650 N -4.04 4.25 -0.19 1.99 2.02 -1.26 -4.68 118.70 116.79 2x6j s GLU 650 Ca 0.25 2.24 -0.42 0.00 0.02 0.00 0.00 54.97 57.05 2x6j s GLU 650 Cb 0.04 -3.28 -0.19 0.00 0.10 0.00 0.00 34.13 30.80 2x6j s GLU 650 CO 0.05 -0.57 1.34 -2.30 0.02 0.00 0.00 175.26 173.79 2x6j n PRO 651 N 4.29 0.19 -4.78 0.39 -0.02 -1.26 -4.93 135.00 128.89 2x6j n PRO 651 Ca 0.13 0.07 -0.31 0.00 -2.02 0.00 0.00 63.50 61.37 2x6j n PRO 651 Cb 0.40 -1.60 -0.13 0.00 -0.02 0.00 0.00 33.50 32.16 2x6j n PRO 651 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2x6j s ILE 652 N 1.39 2.80 -0.02 4.25 1.01 -0.95 -4.90 121.20 124.78 2x6j s ILE 652 Ca 0.96 -1.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.25 2x6j s ILE 652 Cb -1.31 -2.14 -0.05 0.00 0.01 0.00 0.00 42.46 38.97 2x6j s ILE 652 CO 0.66 0.42 1.39 -2.16 0.00 0.00 0.00 174.94 175.25 2x6j s PRO 653 N -1.19 4.28 0.07 2.79 0.04 -1.26 -0.18 135.00 139.55 2x6j s PRO 653 Ca 0.13 1.93 -0.36 0.00 0.04 0.00 0.00 61.00 62.74 2x6j s PRO 653 Cb -0.10 -3.62 -0.16 0.00 0.04 0.00 0.00 34.50 30.66 2x6j s PRO 653 CO 0.04 -0.59 1.46 0.34 0.04 0.00 0.00 177.00 178.28 2x6j n PHE 654 N 5.59 1.81 -0.07 0.56 -0.00 0.10 -4.86 117.46 120.60 2x6j n PHE 654 Ca 0.13 0.49 -0.01 0.00 -0.00 0.00 0.00 57.45 58.07 2x6j n PHE 654 Cb 0.44 -2.42 0.26 0.00 -0.00 0.00 0.00 39.48 37.76 2x6j n PHE 654 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 2x6j h PRO 655 N 5.35 0.68 -0.17 -7.13 0.11 -1.91 -2.76 132.00 126.16 2x6j h PRO 655 Ca -0.47 -0.13 -0.21 0.00 0.11 0.00 0.00 66.00 65.30 2x6j h PRO 655 Cb 1.31 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.32 2x6j h PRO 655 CO 0.83 0.62 -0.72 1.25 -0.21 0.00 0.00 178.00 179.77 2x6j h LEU 656 N 0.66 0.90 -7.67 2.35 6.46 -1.96 -3.39 115.31 112.65 2x6j h LEU 656 Ca 0.15 -0.56 -0.63 0.00 -0.12 0.00 0.00 57.88 56.72 2x6j h LEU 656 Cb 0.26 -0.26 -0.38 0.00 -0.73 0.00 0.00 40.66 39.54 2x6j h LEU 656 CO -0.00 1.36 -0.78 -0.62 -0.62 0.00 0.00 178.44 177.77 2x6j s ASP 657 N -7.06 4.08 0.26 1.25 3.68 -1.15 -4.87 116.67 112.87 2x6j s ASP 657 Ca -0.10 -1.35 -0.02 0.00 2.13 0.00 0.00 52.55 53.22 2x6j s ASP 657 Cb 0.09 -1.29 0.43 0.00 -1.45 0.00 0.00 42.92 40.70 2x6j s ASP 657 CO 0.89 -0.25 1.86 -0.65 0.13 0.00 0.00 175.17 177.16 2x6j h PRO 658 N 7.89 1.06 -0.62 4.34 0.11 -1.70 -3.20 132.00 139.87 2x6j h PRO 658 Ca -0.17 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.87 2x6j h PRO 658 Cb 1.06 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 31.90 2x6j h PRO 658 CO 0.44 0.70 0.36 0.93 -0.21 0.00 0.00 178.00 180.22 2x6j h GLU 659 N 1.09 0.86 -6.69 1.05 5.08 -1.95 -3.37 114.58 110.65 2x6j h GLU 659 Ca 0.44 -0.09 -0.52 0.00 -1.00 0.00 0.00 59.36 58.19 2x6j h GLU 659 Cb 0.25 -0.17 0.03 0.00 0.50 0.00 0.00 28.75 29.35 2x6j h GLU 659 CO -0.20 0.63 0.58 0.42 -1.00 0.00 0.00 179.01 179.45 2x6j s ILE 660 N -5.92 3.41 -0.04 3.13 1.01 -1.21 -4.91 121.20 116.67 2x6j s ILE 660 Ca -0.13 1.20 -0.03 0.00 0.00 0.00 0.00 60.65 61.69 2x6j s ILE 660 Cb 0.13 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 2x6j s ILE 660 CO 0.77 0.20 0.14 -0.31 0.00 0.00 0.00 174.94 175.75 2x6j s TYR 661 N -0.15 3.49 -0.08 3.97 2.02 -1.26 0.01 117.35 125.35 2x6j s TYR 661 Ca 0.53 0.37 0.04 0.00 -0.37 0.00 0.00 57.07 57.64 2x6j s TYR 661 Cb -0.34 -1.84 -0.01 0.00 -0.40 0.00 0.00 41.96 39.37 2x6j s TYR 661 CO 0.38 0.64 -0.22 0.96 -1.57 0.00 0.00 175.55 175.75 2x6j s ILE 662 N -1.20 2.26 -0.12 2.71 -4.36 0.74 0.60 121.20 121.84 2x6j s ILE 662 Ca 0.23 -0.97 -0.14 0.00 -0.26 0.00 0.00 60.65 59.51 2x6j s ILE 662 Cb -0.12 -1.86 -0.12 0.00 1.25 0.00 0.00 42.46 41.60 2x6j s ILE 662 CO 0.13 0.56 0.35 0.71 0.24 0.00 0.00 174.94 176.93 2x6j h THR 663 N 5.33 0.83 -3.05 8.37 1.35 -0.62 -2.53 112.91 122.58 2x6j h THR 663 Ca -0.27 -1.63 -0.04 0.00 -0.55 0.00 0.00 66.41 63.92 2x6j h THR 663 Cb 1.21 1.57 -0.13 0.00 -1.73 0.00 0.00 68.15 69.06 2x6j h THR 663 CO 0.48 0.28 0.08 -1.59 -0.25 0.00 0.00 175.52 174.52 2x6j s LYS 664 N -1.88 1.15 0.34 4.72 -2.85 -1.23 -1.80 119.74 118.18 2x6j s LYS 664 Ca -0.09 -0.48 -0.25 0.00 -1.00 0.00 0.00 55.97 54.15 2x6j s LYS 664 Cb -0.01 0.52 -0.10 0.00 -2.06 0.00 0.00 37.83 36.18 2x6j s LYS 664 CO 0.33 -0.46 0.94 0.42 0.10 0.00 0.00 175.35 176.67 2x6j s ILE 665 N -3.40 4.24 -0.34 3.79 1.01 -1.00 0.14 121.20 125.64 2x6j s ILE 665 Ca -0.00 1.77 -0.15 0.00 0.00 0.00 0.00 60.65 62.27 2x6j s ILE 665 Cb 0.00 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 2x6j s ILE 665 CO -0.09 0.08 0.34 -0.69 0.00 0.00 0.00 174.94 174.57 2x6j s VAL 666 N -1.69 5.19 0.13 2.92 1.01 0.40 -4.54 120.40 123.81 2x6j s VAL 666 Ca 0.52 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.38 2x6j s VAL 666 Cb -0.17 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 2x6j s VAL 666 CO 0.22 -0.07 1.47 -0.65 0.00 0.00 0.00 175.10 176.07 2x6j h PRO 667 N 8.46 0.85 -0.17 2.72 0.11 -1.92 -3.28 132.00 138.78 2x6j h PRO 667 Ca -0.30 -0.43 -0.06 0.00 0.11 0.00 0.00 66.00 65.32 2x6j h PRO 667 Cb 1.15 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2x6j h PRO 667 CO 0.68 1.07 -0.15 0.52 -0.21 0.00 0.00 178.00 179.91 2x6j h MET 668 N 0.65 0.28 0.00 1.05 2.86 -1.95 -2.75 114.93 115.06 2x6j h MET 668 Ca 0.06 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2x6j h MET 668 Cb 0.90 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.52 2x6j h MET 668 CO 0.08 0.43 0.00 0.00 1.06 0.00 0.00 176.91 178.48 2x6j h ARG 669 N 0.26 0.00 -6.57 1.72 3.08 -1.97 -3.46 114.38 107.43 2x6j h ARG 669 Ca 0.05 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.53 2x6j h ARG 669 Cb 0.43 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.54 2x6j h ARG 669 CO 0.03 0.00 0.81 -2.37 -1.07 0.00 0.00 179.97 177.37 2x6j n THR 670 N -2.85 0.25 -4.40 2.04 5.66 -1.04 -4.82 114.28 109.11 2x6j n THR 670 Ca 0.04 -0.06 -0.20 0.00 -3.05 0.00 0.00 64.05 60.77 2x6j n THR 670 Cb 0.47 -1.64 -0.10 0.00 -1.55 0.00 0.00 70.33 67.50 2x6j n THR 670 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2x6j s SER 671 N 0.82 2.71 -0.00 1.09 0.01 -0.93 -4.98 113.70 112.41 2x6j s SER 671 Ca 0.75 -1.13 0.05 0.00 1.31 0.00 0.00 55.95 56.93 2x6j s SER 671 Cb -0.63 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 65.43 2x6j s SER 671 CO 0.40 -0.27 -0.17 -0.22 0.41 0.00 0.00 173.24 173.39 2x6j s LEU 672 N -3.40 2.06 0.39 2.44 0.20 -1.26 -0.61 118.68 118.51 2x6j s LEU 672 Ca 0.27 -0.34 -0.11 0.00 0.69 0.00 0.00 54.13 54.64 2x6j s LEU 672 Cb 0.02 -0.83 -0.07 0.00 -0.43 0.00 0.00 46.19 44.88 2x6j s LEU 672 CO 0.10 0.18 0.76 -0.36 -0.29 0.00 0.00 176.35 176.74 2x6j s PHE 673 N -0.48 3.46 0.29 5.38 0.08 0.35 -4.97 117.98 122.08 2x6j s PHE 673 Ca 0.06 1.06 0.03 0.00 0.12 0.00 0.00 56.93 58.20 2x6j s PHE 673 Cb -0.07 -2.45 0.43 0.00 -0.57 0.00 0.00 43.02 40.36 2x6j s PHE 673 CO -0.00 -0.08 1.74 1.57 -0.10 0.00 0.00 175.22 178.34 2x6j h LYS 674 N 1.37 0.49 -6.77 0.44 2.10 -1.93 -3.39 116.57 108.88 2x6j h LYS 674 Ca -0.47 -0.17 -0.57 0.00 -2.00 0.00 0.00 60.65 57.43 2x6j h LYS 674 Cb 1.19 -0.03 0.16 0.00 -0.90 0.00 0.00 32.23 32.65 2x6j h LYS 674 CO 0.64 0.68 0.04 -1.13 -2.00 0.00 0.00 179.45 177.69 2x6j n SER 675 N -4.14 0.48 0.27 7.07 3.41 -1.26 -4.91 113.62 114.54 2x6j n SER 675 Ca -0.00 0.80 -0.18 0.00 -0.26 0.00 0.00 58.87 59.23 2x6j n SER 675 Cb 0.39 -1.35 -0.10 0.00 -0.26 0.00 0.00 64.21 62.89 2x6j n SER 675 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x6j h ALA 676 N 0.47 -1.09 -2.41 7.33 0.00 -2.03 -3.21 119.26 118.31 2x6j h ALA 676 Ca -0.48 -0.17 -0.53 0.00 0.00 0.00 0.00 54.91 53.73 2x6j h ALA 676 Cb 1.37 0.73 0.02 0.00 0.00 0.00 0.00 17.79 19.92 2x6j h ALA 676 CO 0.50 -1.16 1.17 -1.17 0.00 0.00 0.00 179.25 178.59 2x6j s LEU 677 N -10.14 4.41 -0.49 0.00 0.20 -1.26 -4.96 118.68 106.43 2x6j s LEU 677 Ca -0.18 2.66 -0.05 0.00 0.69 0.00 0.00 54.13 57.26 2x6j s LEU 677 Cb 0.05 -3.55 0.13 0.00 -0.43 0.00 0.00 46.19 42.39 2x6j s LEU 677 CO 0.61 -1.02 0.32 0.00 -0.29 0.00 0.00 176.35 175.97 2x6j s MET 678 N 3.69 2.32 0.57 1.98 0.23 -1.21 -4.96 119.30 121.92 2x6j s MET 678 Ca 0.84 -2.02 -0.20 0.00 -1.03 0.00 0.00 55.69 53.29 2x6j s MET 678 Cb -0.43 -3.74 -0.04 0.00 -1.53 0.00 0.00 34.83 29.09 2x6j s MET 678 CO 0.38 -1.14 1.22 -1.25 -2.03 0.00 0.00 175.02 172.21 2x6j s PRO 679 N 0.85 3.09 -0.05 3.16 0.05 -1.26 -4.73 135.00 136.11 2x6j s PRO 679 Ca 0.10 1.88 0.02 0.00 0.05 0.00 0.00 61.00 63.05 2x6j s PRO 679 Cb -0.23 -2.03 -0.03 0.00 0.05 0.00 0.00 34.50 32.27 2x6j s PRO 679 CO -0.03 -1.12 -0.10 0.00 0.05 0.00 0.00 177.00 175.79 2x6j s ALA 680 N -1.55 2.85 -0.22 8.56 0.00 -0.98 -0.50 121.76 129.93 2x6j s ALA 680 Ca 0.75 -0.95 -0.09 0.00 0.00 0.00 0.00 51.96 51.67 2x6j s ALA 680 Cb -0.32 -1.10 -0.05 0.00 0.00 0.00 0.00 23.12 21.66 2x6j s ALA 680 CO 0.35 0.57 0.12 0.21 0.00 0.00 0.00 175.76 177.01 2x6j s LYS 681 N -0.85 4.04 -0.05 0.00 2.20 0.23 -1.59 119.74 123.71 2x6j s LYS 681 Ca 0.12 -0.29 0.06 0.00 -0.36 0.00 0.00 55.97 55.50 2x6j s LYS 681 Cb -0.11 -3.42 -0.01 0.00 -1.51 0.00 0.00 37.83 32.79 2x6j s LYS 681 CO 0.02 0.15 -0.24 -0.51 -0.36 0.00 0.00 175.35 174.41 2x6j s LEU 682 N 0.77 2.04 -0.15 5.43 1.02 0.79 -2.20 118.68 126.37 2x6j s LEU 682 Ca 0.06 -0.48 -0.13 0.00 0.02 0.00 0.00 54.13 53.60 2x6j s LEU 682 Cb -0.13 -1.30 -0.05 0.00 0.02 0.00 0.00 46.19 44.74 2x6j s LEU 682 CO 0.02 0.23 0.28 -0.89 0.02 0.00 0.00 176.35 176.01 2x6j s THR 683 N -0.13 5.31 0.21 5.49 2.01 -1.26 -0.97 115.64 126.30 2x6j s THR 683 Ca -0.04 0.52 0.08 0.00 0.31 0.00 0.00 61.69 62.56 2x6j s THR 683 Cb -0.13 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 2x6j s THR 683 CO 0.03 0.41 0.03 -0.36 -0.69 0.00 0.00 174.62 174.05 2x6j s PHE 684 N 0.33 2.85 -0.21 4.92 0.08 -0.24 -0.46 117.98 125.25 2x6j s PHE 684 Ca 0.16 -0.15 -0.09 0.00 0.12 0.00 0.00 56.93 56.97 2x6j s PHE 684 Cb -0.13 -1.33 -0.04 0.00 -0.57 0.00 0.00 43.02 40.94 2x6j s PHE 684 CO 0.04 0.55 0.10 0.08 -0.10 0.00 0.00 175.22 175.89 2x6j s VAL 685 N -1.96 4.99 0.77 -0.44 1.01 0.36 -2.47 120.40 122.67 2x6j s VAL 685 Ca 0.29 0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.21 2x6j s VAL 685 Cb -0.08 -3.29 0.06 0.00 0.00 0.00 0.00 36.38 33.06 2x6j s VAL 685 CO 0.20 0.40 1.11 0.42 0.00 0.00 0.00 175.10 177.23 2x6j s THR 686 N 0.75 3.08 0.29 3.92 -4.23 -0.51 0.01 115.64 118.96 2x6j s THR 686 Ca 0.05 0.39 0.01 0.00 -1.18 0.00 0.00 61.69 60.96 2x6j s THR 686 Cb -0.13 -2.82 0.11 0.00 1.34 0.00 0.00 72.50 71.00 2x6j s THR 686 CO 0.02 -0.42 1.78 0.77 -0.54 0.00 0.00 174.62 176.22 2x6j h SER 687 N -0.97 0.59 -3.47 3.99 4.64 -0.15 -3.40 113.55 114.78 2x6j h SER 687 Ca -0.44 -0.15 -0.66 0.00 -0.47 0.00 0.00 61.79 60.06 2x6j h SER 687 Cb 1.24 -0.16 -0.23 0.00 -0.31 0.00 0.00 62.40 62.94 2x6j h SER 687 CO 0.50 0.72 -0.72 0.27 -0.87 0.00 0.00 176.83 176.74 2x6j s ILE 688 N -4.81 3.45 -1.41 0.95 -4.36 -1.26 -4.67 121.20 109.09 2x6j s ILE 688 Ca -0.08 -0.54 0.00 0.00 -0.26 0.00 0.00 60.65 59.77 2x6j s ILE 688 Cb 0.15 -2.45 0.00 0.00 1.25 0.00 0.00 42.46 41.41 2x6j s ILE 688 CO 0.79 0.54 0.00 0.00 0.24 0.00 0.00 174.94 176.51 2x6j n ALA 689 N 3.10 -0.20 -2.06 2.27 0.00 -1.26 -2.74 120.51 119.62 2x6j n ALA 689 Ca -0.18 0.21 -0.09 0.00 0.00 0.00 0.00 53.44 53.39 2x6j n ALA 689 Cb 0.53 -1.54 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 2x6j n ALA 689 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2x6j n HIS 690 N -2.55 -1.25 -1.58 0.00 8.25 -1.26 -4.93 115.22 111.90 2x6j n HIS 690 Ca -0.13 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 56.88 2x6j n HIS 690 Cb 0.47 -2.20 -0.02 0.00 1.12 0.00 0.00 29.99 29.36 2x6j n HIS 690 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2x6j n HIS 691 N -2.63 1.15 -5.03 4.41 -0.00 -1.11 -4.86 115.22 107.16 2x6j n HIS 691 Ca -0.10 0.72 -0.32 0.00 -0.00 0.00 0.00 57.72 58.02 2x6j n HIS 691 Cb 0.48 -2.23 -0.14 0.00 -0.00 0.00 0.00 29.99 28.10 2x6j n HIS 691 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 2x6j s GLU 692 N -1.41 2.39 -0.08 -0.41 -1.05 -1.26 -1.42 118.70 115.46 2x6j s GLU 692 Ca 0.60 -0.77 0.04 0.00 -0.15 0.00 0.00 54.97 54.69 2x6j s GLU 692 Cb -0.73 -2.27 -0.02 0.00 -0.44 0.00 0.00 34.13 30.67 2x6j s GLU 692 CO 0.59 0.60 -0.19 -0.47 0.95 0.00 0.00 175.26 176.74 2x6j s TYR 693 N -0.67 2.62 -0.12 4.83 6.14 -1.03 -4.96 117.35 124.16 2x6j s TYR 693 Ca 0.10 -0.57 -0.06 0.00 0.64 0.00 0.00 57.07 57.18 2x6j s TYR 693 Cb -0.11 -1.68 -0.04 0.00 0.42 0.00 0.00 41.96 40.55 2x6j s TYR 693 CO 0.00 -0.12 0.12 0.00 0.64 0.00 0.00 175.55 176.20 2x6j s ALA 694 N -0.14 3.81 0.15 3.97 0.00 -1.26 -1.08 121.76 127.21 2x6j s ALA 694 Ca -0.03 -0.66 -0.00 0.00 0.00 0.00 0.00 51.96 51.27 2x6j s ALA 694 Cb -0.14 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 2x6j s ALA 694 CO 0.04 0.62 0.04 0.00 0.00 0.00 0.00 175.76 176.45 2x6j s ALA 695 N -1.01 1.05 -0.02 0.00 0.00 -0.14 -3.03 121.76 118.61 2x6j s ALA 695 Ca 0.15 -1.53 0.08 0.00 0.00 0.00 0.00 51.96 50.66 2x6j s ALA 695 Cb -0.12 0.79 -0.02 0.00 0.00 0.00 0.00 23.12 23.77 2x6j s ALA 695 CO 0.04 -0.44 -0.25 0.42 0.00 0.00 0.00 175.76 175.53 2x6j s ILE 696 N -3.92 2.00 -0.16 0.00 1.01 0.19 -0.15 121.20 120.16 2x6j s ILE 696 Ca 0.25 -1.08 0.01 0.00 0.00 0.00 0.00 60.65 59.83 2x6j s ILE 696 Cb 0.07 -1.66 0.00 0.00 0.01 0.00 0.00 42.46 40.89 2x6j s ILE 696 CO 0.03 0.56 -0.17 0.12 0.00 0.00 0.00 174.94 175.49 2x6j s PHE 697 N -0.57 2.77 -0.16 3.97 5.36 -0.62 -0.03 117.98 128.70 2x6j s PHE 697 Ca 0.09 -1.23 -0.01 0.00 -0.96 0.00 0.00 56.93 54.82 2x6j s PHE 697 Cb -0.10 -1.90 -0.01 0.00 -0.34 0.00 0.00 43.02 40.68 2x6j s PHE 697 CO -0.01 -0.58 -0.12 0.21 -1.46 0.00 0.00 175.22 173.25 2x6j s LYS 698 N 0.98 3.29 0.00 10.12 2.20 0.07 -2.31 119.74 134.09 2x6j s LYS 698 Ca -0.03 -0.71 0.25 0.00 -0.36 0.00 0.00 55.97 55.12 2x6j s LYS 698 Cb -0.15 -2.71 0.43 0.00 -1.51 0.00 0.00 37.83 33.89 2x6j s LYS 698 CO -0.04 0.01 1.36 -2.39 -0.36 0.00 0.00 175.35 173.94 2x6j n HIS 699 N 4.10 0.00 -0.08 4.03 1.44 -1.25 -0.89 115.22 122.56 2x6j n HIS 699 Ca -0.19 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.43 2x6j n HIS 699 Cb 0.52 -0.17 -0.05 0.00 0.12 0.00 0.00 29.99 30.40 2x6j n HIS 699 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 2x6j h GLY 700 N 4.98 0.00 -2.73 -1.39 0.00 -1.89 -3.41 103.07 98.63 2x6j h GLY 700 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.06 2x6j h GLY 700 CO 0.00 0.00 -0.66 0.51 0.00 0.00 0.00 176.54 176.39 2x6j s ASP 701 N -6.05 1.07 0.14 0.19 -4.77 -1.25 -4.56 116.67 101.43 2x6j s ASP 701 Ca -0.16 -1.18 -0.30 0.00 -3.30 0.00 0.00 52.55 47.60 2x6j s ASP 701 Cb 0.02 0.15 -0.07 0.00 -1.09 0.00 0.00 42.92 41.93 2x6j s ASP 701 CO 0.33 -0.60 1.21 1.51 0.70 0.00 0.00 175.17 178.32 2x6j s ASP 702 N -3.15 7.07 -0.09 2.11 -4.77 -1.26 -3.06 116.67 113.52 2x6j s ASP 702 Ca 0.24 2.16 0.16 0.00 -3.30 0.00 0.00 52.55 51.82 2x6j s ASP 702 Cb 0.06 -2.60 0.62 0.00 -1.09 0.00 0.00 42.92 39.92 2x6j s ASP 702 CO 0.04 -0.42 1.51 0.18 0.70 0.00 0.00 175.17 177.18 2x6j n LEU 703 N 3.09 4.12 -0.31 2.11 4.77 -1.26 -4.42 117.00 125.11 2x6j n LEU 703 Ca 0.06 -2.08 0.20 0.00 -0.03 0.00 0.00 56.01 54.16 2x6j n LEU 703 Cb 0.45 -0.53 0.47 0.00 -2.33 0.00 0.00 43.42 41.48 2x6j n LEU 703 CO 0.56 0.74 1.21 0.03 -1.33 0.00 0.00 177.39 178.60 2x6j h ARG 704 N 3.61 0.46 0.34 3.23 3.08 -1.94 0.35 114.38 123.50 2x6j h ARG 704 Ca 0.00 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 2x6j h ARG 704 Cb 1.25 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.20 2x6j h ARG 704 CO 0.18 0.31 -0.16 0.37 -1.07 0.00 0.00 179.97 179.59 2x6j h GLN 705 N 0.48 -0.44 -0.97 0.04 4.15 -1.94 -2.53 115.11 113.90 2x6j h GLN 705 Ca 0.56 0.03 0.09 0.00 0.77 0.00 0.00 58.65 60.11 2x6j h GLN 705 Cb 1.30 0.10 -0.08 0.00 0.21 0.00 0.00 27.48 29.02 2x6j h GLN 705 CO -0.29 -0.12 0.61 -0.44 -1.93 0.00 0.00 178.83 176.66 2x6j h ASP 706 N -0.79 0.92 0.15 -0.69 5.19 -1.20 -1.87 116.42 118.14 2x6j h ASP 706 Ca -0.05 0.03 -0.15 0.00 -0.62 0.00 0.00 57.03 56.25 2x6j h ASP 706 Cb 0.52 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.86 2x6j h ASP 706 CO 0.08 0.54 -0.55 0.06 -3.12 0.00 0.00 179.24 176.25 2x6j h GLN 707 N 1.03 0.42 -0.19 3.56 3.07 -0.46 -2.09 115.11 120.44 2x6j h GLN 707 Ca 0.45 -0.26 -0.01 0.00 0.09 0.00 0.00 58.65 58.92 2x6j h GLN 707 Cb 0.33 0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.91 2x6j h GLN 707 CO -0.22 0.86 0.08 1.25 0.09 0.00 0.00 178.83 180.89 2x6j h LEU 708 N 0.32 0.26 -0.36 0.06 6.46 -0.91 -1.07 115.31 120.08 2x6j h LEU 708 Ca 0.01 -0.15 0.04 0.00 -0.12 0.00 0.00 57.88 57.66 2x6j h LEU 708 Cb 1.07 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.89 2x6j h LEU 708 CO 0.10 0.34 0.13 0.40 -0.62 0.00 0.00 178.44 178.78 2x6j h ILE 709 N 0.17 0.90 -0.39 4.05 1.08 -1.26 -0.19 117.51 121.88 2x6j h ILE 709 Ca 0.07 -0.10 -0.03 0.00 -0.39 0.00 0.00 64.86 64.41 2x6j h ILE 709 Cb 0.15 0.59 -0.02 0.00 -3.07 0.00 0.00 36.82 34.47 2x6j h ILE 709 CO -0.01 0.05 0.11 -0.07 -0.69 0.00 0.00 178.15 177.55 2x6j h LEU 710 N 0.29 0.52 -0.43 1.44 4.07 -1.16 0.14 115.31 120.17 2x6j h LEU 710 Ca 0.16 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.06 2x6j h LEU 710 Cb 0.13 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 2x6j h LEU 710 CO -0.16 0.51 0.28 -0.61 -1.08 0.00 0.00 178.44 177.38 2x6j h GLN 711 N 0.56 0.58 -0.31 1.13 4.15 -0.27 0.44 115.11 121.38 2x6j h GLN 711 Ca 0.13 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.50 2x6j h GLN 711 Cb 0.19 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 2x6j h GLN 711 CO -0.01 0.39 0.16 0.52 -1.93 0.00 0.00 178.83 177.97 2x6j h MET 712 N 0.58 0.44 -0.44 1.69 2.86 0.38 0.11 114.93 120.55 2x6j h MET 712 Ca 0.16 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.78 2x6j h MET 712 Cb -0.05 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.49 2x6j h MET 712 CO -0.03 0.39 0.21 0.82 1.06 0.00 0.00 176.91 179.36 2x6j h ILE 713 N 0.38 0.94 -0.53 -1.22 2.04 -0.63 0.12 117.51 118.62 2x6j h ILE 713 Ca 0.11 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 2x6j h ILE 713 Cb 0.09 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 2x6j h ILE 713 CO -0.02 0.08 0.27 0.74 0.00 0.00 0.00 178.15 179.22 2x6j h THR 714 N 0.42 1.19 0.09 -0.27 2.02 -0.58 0.98 112.91 116.75 2x6j h THR 714 Ca 0.19 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 66.89 2x6j h THR 714 Cb 0.12 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 2x6j h THR 714 CO -0.15 0.20 -0.16 0.25 0.37 0.00 0.00 175.52 176.04 2x6j h LEU 715 N 0.70 -0.43 -0.38 2.58 6.46 -0.36 -1.36 115.31 122.52 2x6j h LEU 715 Ca 0.18 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.96 2x6j h LEU 715 Cb 0.08 0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 2x6j h LEU 715 CO -0.03 -0.23 0.09 0.24 -0.62 0.00 0.00 178.44 177.89 2x6j h MET 716 N -0.31 0.61 -0.42 1.25 2.86 -0.56 -1.37 114.93 117.00 2x6j h MET 716 Ca 0.02 -0.15 0.08 0.00 -2.06 0.00 0.00 59.70 57.59 2x6j h MET 716 Cb 0.32 -0.08 -0.09 0.00 0.06 0.00 0.00 31.60 31.81 2x6j h MET 716 CO -0.09 0.65 -0.36 0.22 1.06 0.00 0.00 176.91 178.39 2x6j h ASP 717 N 0.47 -1.21 -0.92 1.22 3.58 -0.68 -0.07 116.42 118.80 2x6j h ASP 717 Ca 0.12 0.20 0.08 0.00 0.42 0.00 0.00 57.03 57.86 2x6j h ASP 717 Cb 0.31 0.56 -0.07 0.00 1.72 0.00 0.00 39.33 41.85 2x6j h ASP 717 CO 0.00 -0.34 0.57 0.11 -2.88 0.00 0.00 179.24 176.71 2x6j h LYS 718 N -0.27 0.96 -0.09 0.28 1.57 -0.33 0.25 116.57 118.94 2x6j h LYS 718 Ca 0.17 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2x6j h LYS 718 Cb 0.56 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 2x6j h LYS 718 CO -0.57 0.64 0.03 -0.07 -0.57 0.00 0.00 179.45 178.91 2x6j h LEU 719 N 0.99 0.13 -0.37 2.94 3.38 -0.54 -0.09 115.31 121.76 2x6j h LEU 719 Ca 0.42 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.21 2x6j h LEU 719 Cb 0.28 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2x6j h LEU 719 CO -0.21 0.29 0.22 -0.07 0.09 0.00 0.00 178.44 178.76 2x6j h LEU 720 N -0.03 0.37 -1.45 1.67 3.38 0.09 -0.39 115.31 118.95 2x6j h LEU 720 Ca 0.03 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2x6j h LEU 720 Cb 0.20 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2x6j h LEU 720 CO -0.00 0.27 -0.06 0.03 0.09 0.00 0.00 178.44 178.76 2x6j h ARG 721 N 0.45 0.00 0.00 1.13 3.08 -0.43 0.84 114.38 119.45 2x6j h ARG 721 Ca 0.14 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.02 2x6j h ARG 721 Cb -0.01 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.01 2x6j h ARG 721 CO -0.06 0.06 -0.84 0.00 -1.07 0.00 0.00 179.97 178.07 2x6j h ARG 722 N 0.00 0.00 -0.04 0.04 3.08 -0.08 -1.56 114.38 115.82 2x6j h ARG 722 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2x6j h ARG 722 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2x6j h ARG 722 CO 0.01 0.84 0.00 0.39 -1.07 0.00 0.00 179.97 180.13 2x6j n GLU 723 N -3.40 1.30 -3.34 0.04 -0.58 -0.24 -4.95 120.64 109.47 2x6j n GLU 723 Ca 0.00 -0.45 -0.18 0.00 -0.42 0.00 0.00 57.16 56.11 2x6j n GLU 723 Cb 0.84 -1.41 0.07 0.00 -0.57 0.00 0.00 31.44 30.36 2x6j n GLU 723 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2x6j n ASN 724 N -0.40 -6.38 -3.91 1.62 6.94 0.88 -5.04 115.26 108.97 2x6j n ASN 724 Ca 0.18 -0.77 -0.30 0.00 -0.02 0.00 0.00 54.58 53.67 2x6j n ASN 724 Cb 0.20 -4.86 -0.14 0.00 -2.36 0.00 0.00 39.78 32.62 2x6j n ASN 724 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2x6j s LEU 725 N -5.61 4.03 -0.68 -4.53 2.01 0.26 -4.89 118.68 109.27 2x6j s LEU 725 Ca 0.46 -2.84 -0.27 0.00 0.01 0.00 0.00 54.13 51.49 2x6j s LEU 725 Cb -0.08 -1.52 0.03 0.00 0.01 0.00 0.00 46.19 44.63 2x6j s LEU 725 CO 0.76 -0.25 1.27 -0.62 1.01 0.00 0.00 176.35 178.52 2x6j s ASP 726 N -0.03 6.23 0.00 2.29 3.68 -1.26 -3.24 116.67 124.34 2x6j s ASP 726 Ca 0.16 -0.21 0.12 0.00 2.13 0.00 0.00 52.55 54.75 2x6j s ASP 726 Cb -0.25 -2.56 0.37 0.00 -1.45 0.00 0.00 42.92 39.04 2x6j s ASP 726 CO -0.01 -1.73 1.30 0.18 0.13 0.00 0.00 175.17 175.04 2x6j n LEU 727 N 9.16 1.76 -3.81 -1.34 4.77 -1.26 -4.91 117.00 121.37 2x6j n LEU 727 Ca 0.06 -0.86 -0.25 0.00 -0.03 0.00 0.00 56.01 54.93 2x6j n LEU 727 Cb 0.49 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.40 2x6j n LEU 727 CO 0.71 0.43 -0.04 0.29 -1.33 0.00 0.00 177.39 177.45 2x6j n LYS 728 N 0.45 -4.83 -1.36 3.23 5.02 -1.26 -2.02 118.16 117.38 2x6j n LYS 728 Ca 0.12 0.58 -0.32 0.00 -2.02 0.00 0.00 58.31 56.67 2x6j n LYS 728 Cb 0.29 -5.18 0.08 0.00 -0.02 0.00 0.00 35.03 30.21 2x6j n LYS 728 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2x6j s LEU 729 N -6.91 3.12 -0.37 -0.35 1.43 -1.26 -4.67 118.68 109.67 2x6j s LEU 729 Ca 0.21 1.89 0.03 0.00 -1.03 0.00 0.00 54.13 55.23 2x6j s LEU 729 Cb -0.11 -4.53 0.11 0.00 0.03 0.00 0.00 46.19 41.69 2x6j s LEU 729 CO 0.83 -1.99 0.11 0.42 0.23 0.00 0.00 176.35 175.96 2x6j s THR 730 N -2.74 1.92 -0.91 5.49 -4.23 -1.26 -5.05 115.64 108.86 2x6j s THR 730 Ca 0.63 -2.31 -0.18 0.00 -1.18 0.00 0.00 61.69 58.65 2x6j s THR 730 Cb -0.18 -2.40 0.15 0.00 1.34 0.00 0.00 72.50 71.40 2x6j s THR 730 CO 0.52 -0.68 1.06 -2.16 -0.54 0.00 0.00 174.62 172.82 2x6j s PRO 731 N 0.81 3.60 0.51 3.99 0.04 -1.26 -4.94 135.00 137.75 2x6j s PRO 731 Ca 0.12 -1.90 -0.20 0.00 0.04 0.00 0.00 61.00 59.06 2x6j s PRO 731 Cb -0.20 -4.82 -0.07 0.00 0.04 0.00 0.00 34.50 29.44 2x6j s PRO 731 CO -0.10 -1.68 1.09 1.52 0.04 0.00 0.00 177.00 177.87 2x6j s TYR 732 N 2.18 2.84 0.18 0.56 1.13 -1.26 -4.98 117.35 118.00 2x6j s TYR 732 Ca 0.30 1.56 -0.30 0.00 -1.41 0.00 0.00 57.07 57.22 2x6j s TYR 732 Cb -0.06 -3.19 -0.08 0.00 -1.10 0.00 0.00 41.96 37.53 2x6j s TYR 732 CO -0.09 -1.22 1.19 0.15 -2.51 0.00 0.00 175.55 173.06 2x6j s LYS 733 N -3.22 4.50 -0.03 -3.49 -0.14 -1.26 -4.89 119.74 111.20 2x6j s LYS 733 Ca 0.70 1.86 0.05 0.00 -1.36 0.00 0.00 55.97 57.21 2x6j s LYS 733 Cb -0.21 -3.24 -0.01 0.00 -1.68 0.00 0.00 37.83 32.69 2x6j s LYS 733 CO 0.24 -0.08 -0.18 0.08 -0.76 0.00 0.00 175.35 174.66 2x6j s VAL 734 N -0.06 1.46 -0.02 3.17 1.01 -1.26 -0.65 120.40 124.05 2x6j s VAL 734 Ca 0.53 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.77 2x6j s VAL 734 Cb -0.32 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 34.82 2x6j s VAL 734 CO 0.36 0.42 -0.08 -0.22 0.00 0.00 0.00 175.10 175.58 2x6j s LEU 735 N -0.12 1.80 -0.18 3.92 2.96 -0.53 -4.86 118.68 121.68 2x6j s LEU 735 Ca -0.00 -0.17 -0.15 0.00 -0.22 0.00 0.00 54.13 53.58 2x6j s LEU 735 Cb -0.10 -0.50 -0.04 0.00 0.50 0.00 0.00 46.19 46.04 2x6j s LEU 735 CO 0.01 0.06 0.37 0.00 -1.32 0.00 0.00 176.35 175.48 2x6j s ALA 736 N 0.17 3.56 -0.05 5.97 0.00 -1.26 -0.11 121.76 130.04 2x6j s ALA 736 Ca -0.03 -0.46 -0.20 0.00 0.00 0.00 0.00 51.96 51.27 2x6j s ALA 736 Cb -0.08 -2.55 -0.15 0.00 0.00 0.00 0.00 23.12 20.34 2x6j s ALA 736 CO 0.00 -0.13 0.85 1.79 0.00 0.00 0.00 175.76 178.27 2x6j h THR 737 N 4.88 0.71 -4.52 0.00 1.35 -1.65 -3.47 112.91 110.21 2x6j h THR 737 Ca -0.38 -1.03 -0.33 0.00 -0.55 0.00 0.00 66.41 64.12 2x6j h THR 737 Cb 1.17 1.19 -0.12 0.00 -1.73 0.00 0.00 68.15 68.66 2x6j h THR 737 CO 0.73 0.18 -0.42 -0.55 -0.25 0.00 0.00 175.52 175.22 2x6j s SER 738 N -5.38 0.95 0.14 5.36 0.15 -1.04 -4.60 113.70 109.28 2x6j s SER 738 Ca -0.12 -1.53 -0.32 0.00 0.70 0.00 0.00 55.95 54.68 2x6j s SER 738 Cb 0.01 0.54 -0.12 0.00 -1.71 0.00 0.00 66.02 64.74 2x6j s SER 738 CO 0.44 -1.07 1.78 -1.54 1.20 0.00 0.00 173.24 174.05 2x6j n SER 739 N -1.09 3.89 0.00 5.45 3.41 -1.26 -2.57 113.62 121.45 2x6j n SER 739 Ca 0.04 1.02 0.00 0.00 -0.26 0.00 0.00 58.87 59.66 2x6j n SER 739 Cb 0.63 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 2x6j n SER 739 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2x6j n LYS 740 N 4.98 0.00 -4.36 4.33 2.85 -1.17 -4.72 118.16 120.05 2x6j n LYS 740 Ca 0.18 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.25 2x6j n LYS 740 Cb 0.35 -1.18 -0.15 0.00 -0.65 0.00 0.00 35.03 33.40 2x6j n LYS 740 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 177.40 173.97 2x6j s HIS 741 N -2.86 0.84 0.23 5.58 -3.43 -1.06 -2.54 115.29 112.04 2x6j s HIS 741 Ca 0.00 -0.17 -0.08 0.00 -0.80 0.00 0.00 55.06 54.00 2x6j s HIS 741 Cb 0.00 -0.56 -0.02 0.00 -1.43 0.00 0.00 32.58 30.57 2x6j s HIS 741 CO 0.00 -0.04 0.34 0.20 -2.00 0.00 0.00 174.74 173.24 2x6j s GLY 742 N -0.07 0.89 0.00 -1.38 0.00 -0.07 -1.63 107.32 105.08 2x6j s GLY 742 Ca 0.01 -1.20 0.08 0.00 0.00 0.00 0.00 44.72 43.61 2x6j s GLY 742 CO -0.00 -0.94 -0.25 -1.36 0.00 0.00 0.00 173.10 170.55 2x6j s PHE 743 N -4.07 2.25 -0.06 1.90 0.08 0.84 -0.75 117.98 118.17 2x6j s PHE 743 Ca 0.29 -0.42 0.01 0.00 0.12 0.00 0.00 56.93 56.94 2x6j s PHE 743 Cb 0.02 -1.41 0.02 0.00 -0.57 0.00 0.00 43.02 41.08 2x6j s PHE 743 CO 0.10 0.02 -0.09 -0.51 -0.10 0.00 0.00 175.22 174.64 2x6j s LEU 744 N -0.83 1.47 0.12 -0.37 1.43 0.96 -1.45 118.68 120.02 2x6j s LEU 744 Ca 0.10 -0.24 -0.34 0.00 -1.03 0.00 0.00 54.13 52.62 2x6j s LEU 744 Cb -0.10 -0.70 -0.14 0.00 0.03 0.00 0.00 46.19 45.29 2x6j s LEU 744 CO 0.00 -0.02 1.61 1.67 0.23 0.00 0.00 176.35 179.84 2x6j n GLN 745 N 4.04 2.11 -3.64 1.70 7.27 0.17 -0.64 117.38 128.39 2x6j n GLN 745 Ca -0.22 0.76 -0.37 0.00 0.07 0.00 0.00 57.00 57.24 2x6j n GLN 745 Cb 0.51 -2.54 -0.06 0.00 2.41 0.00 0.00 30.24 30.56 2x6j n GLN 745 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 2x6j s TYR 746 N 1.31 3.59 -0.04 3.69 5.04 -1.17 -4.71 117.35 125.06 2x6j s TYR 746 Ca 0.81 0.69 0.05 0.00 -2.44 0.00 0.00 57.07 56.17 2x6j s TYR 746 Cb -0.69 -2.19 -0.01 0.00 0.35 0.00 0.00 41.96 39.42 2x6j s TYR 746 CO 0.40 0.53 -0.18 0.54 -1.34 0.00 0.00 175.55 175.49 2x6j s VAL 747 N -0.49 1.51 0.12 3.14 0.11 -1.26 -4.80 120.40 118.72 2x6j s VAL 747 Ca 0.18 -0.77 -0.31 0.00 -2.93 0.00 0.00 61.98 58.15 2x6j s VAL 747 Cb -0.14 -1.29 -0.09 0.00 -1.53 0.00 0.00 36.38 33.34 2x6j s VAL 747 CO 0.07 0.43 1.55 -0.62 -3.33 0.00 0.00 175.10 173.20 2x6j s ASP 748 N -0.05 6.65 -0.08 3.54 2.15 -1.26 -4.93 116.67 122.69 2x6j s ASP 748 Ca -0.02 2.49 -0.30 0.00 0.43 0.00 0.00 52.55 55.15 2x6j s ASP 748 Cb -0.11 -2.58 0.07 0.00 -0.30 0.00 0.00 42.92 40.00 2x6j s ASP 748 CO 0.02 -0.80 0.69 -0.94 -0.17 0.00 0.00 175.17 173.97 2x6j s SER 749 N 1.56 -0.67 -0.17 -0.34 1.04 -1.26 -4.68 113.70 109.18 2x6j s SER 749 Ca 0.70 0.82 0.01 0.00 0.48 0.00 0.00 55.95 57.95 2x6j s SER 749 Cb -0.40 0.67 0.01 0.00 0.10 0.00 0.00 66.02 66.40 2x6j s SER 749 CO 0.31 -0.55 -0.19 0.00 0.98 0.00 0.00 173.24 173.79 2x6j n THR 751 N 4.47 2.96 -0.16 0.00 5.66 -1.26 -0.46 114.28 125.49 2x6j n THR 751 Ca -0.20 -0.50 -0.06 0.00 -3.05 0.00 0.00 64.05 60.24 2x6j n THR 751 Cb 0.51 -1.54 0.03 0.00 -1.55 0.00 0.00 70.33 67.77 2x6j n THR 751 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2x6j h VAL 752 N 1.77 1.04 -0.45 1.08 2.07 -1.07 0.25 116.25 120.93 2x6j h VAL 752 Ca -0.49 -0.19 0.08 0.00 0.82 0.00 0.00 66.70 66.92 2x6j h VAL 752 Cb 1.30 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 31.43 2x6j h VAL 752 CO 0.58 0.10 0.07 0.00 0.02 0.00 0.00 177.57 178.35 2x6j h ALA 753 N 1.22 0.49 -0.73 1.67 0.00 -1.57 0.24 119.26 120.58 2x6j h ALA 753 Ca 0.20 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.24 2x6j h ALA 753 Cb 0.03 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2x6j h ALA 753 CO -0.10 -0.33 0.47 0.93 0.00 0.00 0.00 179.25 180.22 2x6j h GLU 754 N 0.20 0.89 -0.49 0.00 5.08 -1.63 -2.24 114.58 116.39 2x6j h GLU 754 Ca 0.22 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 2x6j h GLU 754 Cb 0.29 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2x6j h GLU 754 CO -0.31 0.59 0.16 0.28 -1.00 0.00 0.00 179.01 178.73 2x6j h VAL 755 N 0.91 1.19 0.00 3.13 2.07 0.20 -1.04 116.25 122.72 2x6j h VAL 755 Ca 0.29 -0.65 -0.16 0.00 0.82 0.00 0.00 66.70 67.01 2x6j h VAL 755 Cb 0.00 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 2x6j h VAL 755 CO -0.10 0.25 -0.74 -0.07 0.02 0.00 0.00 177.57 176.92 2x6j h LEU 756 N 0.70 0.00 0.05 2.57 3.38 -0.13 0.64 115.31 122.52 2x6j h LEU 756 Ca 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2x6j h LEU 756 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2x6j h LEU 756 CO -0.01 0.74 -0.02 0.00 0.09 0.00 0.00 178.44 179.24 2x6j h ALA 757 N 1.26 -0.07 -0.75 1.53 0.00 -1.21 -3.25 119.26 116.77 2x6j h ALA 757 Ca -0.01 -0.31 0.10 0.00 0.00 0.00 0.00 54.91 54.69 2x6j h ALA 757 Cb 1.34 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.08 2x6j h ALA 757 CO 0.10 -0.12 0.38 0.00 0.00 0.00 0.00 179.25 179.61 2x6j h ARG 758 N -0.90 0.62 -5.03 0.00 -0.00 -1.21 -3.40 114.38 104.46 2x6j h ARG 758 Ca -0.01 -0.04 -0.51 0.00 -0.50 0.00 0.00 59.98 58.93 2x6j h ARG 758 Cb 0.65 -0.14 -0.31 0.00 0.00 0.00 0.00 29.97 30.17 2x6j h ARG 758 CO 0.01 0.41 -0.82 -1.21 0.00 0.00 0.00 179.97 178.36 2x6j s GLU 759 N -6.04 1.42 0.38 0.04 8.01 0.22 -5.02 118.70 117.70 2x6j s GLU 759 Ca -0.12 -0.48 0.16 0.00 0.01 0.00 0.00 54.97 54.54 2x6j s GLU 759 Cb 0.19 -1.27 1.05 0.00 -4.31 0.00 0.00 34.13 29.79 2x6j s GLU 759 CO 0.77 0.20 1.75 0.78 0.01 0.00 0.00 175.26 178.77 2x6j h GLY 760 N 6.28 1.41 -2.98 -1.39 0.00 -1.78 -3.27 103.07 101.34 2x6j h GLY 760 Ca -0.33 -0.23 -0.14 0.00 0.00 0.00 0.00 47.33 46.63 2x6j h GLY 760 CO 0.48 -0.18 -0.55 0.54 0.00 0.00 0.00 176.54 176.84 2x6j s ASN 761 N -5.22 0.27 0.23 0.19 2.20 -1.26 -4.89 114.94 106.46 2x6j s ASN 761 Ca -0.09 -1.00 -0.06 0.00 -0.94 0.00 0.00 52.86 50.76 2x6j s ASN 761 Cb 0.26 0.31 0.22 0.00 -2.00 0.00 0.00 41.25 40.04 2x6j s ASN 761 CO 0.80 -0.73 1.82 0.40 -2.94 0.00 0.00 177.10 176.45 2x6j h ILE 762 N 2.85 1.26 -0.61 0.54 2.04 -1.87 -2.84 117.51 118.88 2x6j h ILE 762 Ca -0.34 -0.74 0.09 0.00 1.00 0.00 0.00 64.86 64.87 2x6j h ILE 762 Cb 1.19 0.22 -0.07 0.00 -0.74 0.00 0.00 36.82 37.42 2x6j h ILE 762 CO 0.58 0.31 0.25 0.45 0.00 0.00 0.00 178.15 179.74 2x6j h HIS 763 N 1.17 0.44 -0.18 1.37 3.86 -1.94 -1.35 115.15 118.52 2x6j h HIS 763 Ca 0.28 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.56 2x6j h HIS 763 Cb 0.14 -0.10 -0.05 0.00 1.06 0.00 0.00 27.41 28.46 2x6j h HIS 763 CO 0.02 0.14 -0.10 -0.91 0.86 0.00 0.00 177.93 177.93 2x6j h ASN 764 N 0.45 -0.33 0.05 2.45 2.35 -1.92 0.36 115.58 118.98 2x6j h ASN 764 Ca 0.30 0.08 0.03 0.00 -0.55 0.00 0.00 56.30 56.15 2x6j h ASN 764 Cb 0.34 0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.85 2x6j h ASN 764 CO -0.28 -0.13 -0.30 0.15 -1.65 0.00 0.00 177.43 175.22 2x6j h PHE 765 N -0.09 -0.81 -0.93 1.19 -0.00 -1.31 0.25 116.94 115.23 2x6j h PHE 765 Ca 0.10 0.02 -0.00 0.00 -0.00 0.00 0.00 57.97 58.09 2x6j h PHE 765 Cb 0.24 0.35 -0.05 0.00 -0.00 0.00 0.00 35.95 36.50 2x6j h PHE 765 CO -0.25 -0.40 0.57 0.74 -0.00 0.00 0.00 178.31 178.97 2x6j h PHE 766 N -0.47 1.23 -0.60 0.41 0.04 -0.93 -2.16 116.94 114.45 2x6j h PHE 766 Ca 0.05 -0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.77 2x6j h PHE 766 Cb 0.54 -0.40 -0.03 0.00 2.20 0.00 0.00 35.95 38.26 2x6j h PHE 766 CO -0.30 0.81 0.19 -0.09 -0.60 0.00 0.00 178.31 178.32 2x6j h ARG 767 N 1.28 0.90 -0.57 1.51 2.43 0.38 -0.63 114.38 119.69 2x6j h ARG 767 Ca 0.34 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 2x6j h ARG 767 Cb -0.06 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.32 2x6j h ARG 767 CO -0.06 0.77 0.31 -0.22 -1.51 0.00 0.00 179.97 179.26 2x6j h LYS 768 N 0.87 0.77 0.00 0.20 3.64 0.12 -3.11 116.57 119.06 2x6j h LYS 768 Ca 0.20 -0.08 -0.29 0.00 -1.27 0.00 0.00 60.65 59.21 2x6j h LYS 768 Cb 0.24 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 2x6j h LYS 768 CO -0.01 0.57 -1.89 0.72 -2.27 0.00 0.00 179.45 176.57 2x6j n HIS 769 N -4.40 0.66 -3.16 1.91 8.25 -0.84 -4.71 115.22 112.93 2x6j n HIS 769 Ca 0.05 0.24 -0.22 0.00 -0.26 0.00 0.00 57.72 57.53 2x6j n HIS 769 Cb 0.10 -1.10 -0.06 0.00 1.12 0.00 0.00 29.99 30.05 2x6j n HIS 769 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2x6j n HIS 770 N -2.91 -0.99 -2.39 4.41 8.25 -0.30 -5.10 115.22 116.18 2x6j n HIS 770 Ca -0.21 -3.20 -0.35 0.00 -0.26 0.00 0.00 57.72 53.70 2x6j n HIS 770 Cb 1.04 0.08 -0.02 0.00 1.12 0.00 0.00 29.99 32.22 2x6j n HIS 770 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 2x6j s PRO 771 N -0.61 3.68 -0.11 -0.41 0.02 -1.18 -1.16 135.00 135.24 2x6j s PRO 771 Ca 0.34 1.54 -0.04 0.00 0.02 0.00 0.00 61.00 62.86 2x6j s PRO 771 Cb 0.14 -2.17 0.05 0.00 0.02 0.00 0.00 34.50 32.54 2x6j s PRO 771 CO -0.14 -0.57 0.22 0.00 -0.33 0.00 0.00 177.00 176.18 2x6j h ASP 773 N 8.00 0.95 0.68 0.00 5.19 -1.88 -0.39 116.42 128.97 2x6j h ASP 773 Ca -0.22 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 2x6j h ASP 773 Cb 1.12 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 40.39 2x6j h ASP 773 CO 0.21 0.78 -0.16 0.59 -3.12 0.00 0.00 179.24 177.55 2x6j n ASN 774 N -4.34 0.25 -4.45 6.45 3.02 -1.26 -4.91 115.26 110.02 2x6j n ASN 774 Ca 0.08 -0.01 -0.36 0.00 -0.03 0.00 0.00 54.58 54.25 2x6j n ASN 774 Cb 0.12 -0.18 0.07 0.00 -0.61 0.00 0.00 39.78 39.17 2x6j n ASN 774 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x6j n GLY 775 N 1.43 -1.61 0.20 7.41 0.00 -0.15 -4.86 105.19 107.61 2x6j n GLY 775 Ca 0.09 -0.38 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 2x6j n GLY 775 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2x6j h PRO 776 N -0.35 0.20 0.00 1.61 0.13 -1.85 -3.40 132.00 128.34 2x6j h PRO 776 Ca -0.45 -0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 64.50 2x6j h PRO 776 Cb 1.35 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 2x6j h PRO 776 CO 0.42 0.13 -0.09 0.66 -0.23 0.00 0.00 178.00 178.89 2x6j n TYR 777 N -5.15 -0.96 -0.51 1.56 4.02 -1.26 -4.95 117.16 109.91 2x6j n TYR 777 Ca 0.06 -0.68 0.43 0.00 -0.01 0.00 0.00 57.90 57.70 2x6j n TYR 777 Cb 0.26 -0.12 0.75 0.00 -0.02 0.00 0.00 39.34 40.21 2x6j n TYR 777 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2x6j h GLY 778 N 0.22 0.31 -1.81 2.72 0.00 -1.78 -3.42 103.07 99.31 2x6j h GLY 778 Ca -0.10 -0.03 -0.50 0.00 0.00 0.00 0.00 47.33 46.69 2x6j h GLY 778 CO 0.16 -0.08 0.39 -0.42 0.00 0.00 0.00 176.54 176.59 2x6j s ILE 779 N -5.01 3.41 0.40 2.60 1.01 -1.26 0.31 121.20 122.67 2x6j s ILE 779 Ca -0.06 0.72 -0.25 0.00 0.00 0.00 0.00 60.65 61.05 2x6j s ILE 779 Cb 0.26 -3.24 -0.08 0.00 0.01 0.00 0.00 42.46 39.41 2x6j s ILE 779 CO 0.85 -0.35 1.21 -0.44 0.00 0.00 0.00 174.94 176.21 2x6j s SER 780 N -2.43 6.45 0.41 3.58 0.01 -0.31 -3.50 113.70 117.91 2x6j s SER 780 Ca 0.67 2.44 0.09 0.00 1.31 0.00 0.00 55.95 60.46 2x6j s SER 780 Cb -0.20 -2.62 0.85 0.00 0.21 0.00 0.00 66.02 64.26 2x6j s SER 780 CO 0.36 -0.74 2.00 0.00 0.41 0.00 0.00 173.24 175.27 2x6j h ALA 781 N 2.65 1.63 -0.22 1.44 0.00 -1.93 -2.89 119.26 119.94 2x6j h ALA 781 Ca -0.49 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 2x6j h ALA 781 Cb 1.24 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2x6j h ALA 781 CO 0.62 0.28 -0.04 0.93 0.00 0.00 0.00 179.25 181.05 2x6j h GLU 782 N 0.37 0.41 -0.55 0.00 3.07 -1.99 -1.40 114.58 114.50 2x6j h GLU 782 Ca 0.09 -0.15 0.08 0.00 -0.50 0.00 0.00 59.36 58.88 2x6j h GLU 782 Cb 0.14 -0.03 -0.06 0.00 -0.84 0.00 0.00 28.75 27.96 2x6j h GLU 782 CO -0.00 0.64 0.20 0.28 -1.40 0.00 0.00 179.01 178.72 2x6j h VAL 783 N 0.15 0.81 -0.53 3.13 2.07 -1.78 -0.60 116.25 119.50 2x6j h VAL 783 Ca 0.06 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 2x6j h VAL 783 Cb 0.48 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2x6j h VAL 783 CO 0.02 0.07 0.20 0.24 0.02 0.00 0.00 177.57 178.12 2x6j h MET 784 N 0.38 0.80 -0.17 1.57 2.86 -1.37 -0.46 114.93 118.53 2x6j h MET 784 Ca 0.27 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2x6j h MET 784 Cb 0.30 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2x6j h MET 784 CO -0.27 0.71 0.07 0.22 1.06 0.00 0.00 176.91 178.69 2x6j h ASP 785 N 0.72 0.23 -0.93 1.22 -0.00 -0.87 -1.94 116.42 114.85 2x6j h ASP 785 Ca 0.17 -0.16 -0.00 0.00 -0.00 0.00 0.00 57.03 57.04 2x6j h ASP 785 Cb 0.21 -0.06 -0.05 0.00 -0.00 0.00 0.00 39.33 39.44 2x6j h ASP 785 CO -0.01 0.33 0.57 0.71 -0.00 0.00 0.00 179.24 180.84 2x6j h THR 786 N 0.12 1.25 -0.55 2.25 1.35 -0.89 -1.46 112.91 114.97 2x6j h THR 786 Ca 0.06 -0.53 -0.03 0.00 -0.55 0.00 0.00 66.41 65.36 2x6j h THR 786 Cb 0.17 -0.07 -0.02 0.00 -1.73 0.00 0.00 68.15 66.49 2x6j h THR 786 CO -0.00 0.26 0.25 0.22 -0.25 0.00 0.00 175.52 175.99 2x6j h TYR 787 N 1.28 0.82 -0.45 4.73 3.20 -0.88 -0.99 116.97 124.67 2x6j h TYR 787 Ca 0.34 -0.05 0.01 0.00 3.14 0.00 0.00 58.73 62.17 2x6j h TYR 787 Cb -0.07 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 37.92 2x6j h TYR 787 CO 0.00 0.65 0.29 0.82 -1.64 0.00 0.00 178.16 178.28 2x6j h ILE 788 N 0.75 1.08 -0.09 1.81 5.03 -0.82 -1.89 117.51 123.38 2x6j h ILE 788 Ca 0.19 -0.20 -0.01 0.00 -0.12 0.00 0.00 64.86 64.72 2x6j h ILE 788 Cb 0.16 0.45 -0.00 0.00 -3.03 0.00 0.00 36.82 34.40 2x6j h ILE 788 CO -0.02 0.11 0.01 0.11 -0.68 0.00 0.00 178.15 177.67 2x6j h LYS 789 N 0.58 0.16 -0.72 2.37 1.57 -1.02 -0.51 116.57 118.99 2x6j h LYS 789 Ca 0.17 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.96 2x6j h LYS 789 Cb -0.03 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.21 2x6j h LYS 789 CO -0.06 0.40 0.42 0.66 -0.57 0.00 0.00 179.45 180.30 2x6j h SER 790 N -0.10 0.64 -0.10 0.86 4.64 -0.57 0.17 113.55 119.10 2x6j h SER 790 Ca 0.03 0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.39 2x6j h SER 790 Cb 0.32 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 2x6j h SER 790 CO 0.00 0.42 -0.04 0.00 -0.87 0.00 0.00 176.83 176.34 2x6j h ALA 792 N 1.08 -0.75 -0.56 0.00 0.00 0.48 -0.34 119.26 119.17 2x6j h ALA 792 Ca 0.05 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.97 2x6j h ALA 792 Cb 0.10 0.58 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 2x6j h ALA 792 CO -0.11 -0.97 0.11 0.78 0.00 0.00 0.00 179.25 179.05 2x6j h GLY 793 N -0.70 0.70 1.44 0.00 0.00 -0.68 -2.52 103.07 101.31 2x6j h GLY 793 Ca -0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 47.33 47.16 2x6j h GLY 793 CO -0.13 -0.10 -0.49 -0.97 0.00 0.00 0.00 176.54 174.84 2x6j h TYR 794 N 0.24 0.74 -0.38 5.60 0.05 -0.54 -0.47 116.97 122.21 2x6j h TYR 794 Ca 0.29 -0.24 -0.00 0.00 0.05 0.00 0.00 58.73 58.83 2x6j h TYR 794 Cb 0.42 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 2x6j h TYR 794 CO -0.25 0.97 0.22 0.00 -1.05 0.00 0.00 178.16 178.05 2x6j h VAL 796 N 0.49 0.43 0.02 0.00 2.07 -1.22 0.12 116.25 118.15 2x6j h VAL 796 Ca 0.13 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 2x6j h VAL 796 Cb 0.02 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 2x6j h VAL 796 CO -0.02 0.00 -0.01 0.40 0.02 0.00 0.00 177.57 177.96 2x6j h ILE 797 N -0.80 0.99 -0.73 4.57 2.04 -1.00 -0.24 117.51 122.34 2x6j h ILE 797 Ca -0.08 -0.01 0.16 0.00 1.00 0.00 0.00 64.86 65.93 2x6j h ILE 797 Cb 0.60 0.99 -0.11 0.00 -0.74 0.00 0.00 36.82 37.57 2x6j h ILE 797 CO 0.13 0.00 0.18 0.74 0.00 0.00 0.00 178.15 179.20 2x6j h THR 798 N -0.03 0.52 -0.26 -0.27 2.02 -0.89 0.18 112.91 114.18 2x6j h THR 798 Ca -0.00 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 2x6j h THR 798 Cb 0.02 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 2x6j h THR 798 CO 0.00 0.05 0.11 0.22 0.37 0.00 0.00 175.52 176.27 2x6j h TYR 799 N 0.27 0.40 -0.37 3.16 3.20 0.53 0.26 116.97 124.42 2x6j h TYR 799 Ca 0.41 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 62.18 2x6j h TYR 799 Cb 0.70 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.83 2x6j h TYR 799 CO -0.26 0.40 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.51 2x6j h LEU 800 N 0.28 0.60 -0.11 2.82 3.38 -0.46 -2.83 115.31 118.99 2x6j h LEU 800 Ca 0.09 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2x6j h LEU 800 Cb 0.17 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2x6j h LEU 800 CO -0.01 0.73 -0.34 0.18 0.09 0.00 0.00 178.44 179.09 2x6j n LEU 801 N -4.20 0.51 -3.99 1.67 4.77 0.57 -4.61 117.00 111.73 2x6j n LEU 801 Ca 0.01 0.03 -0.30 0.00 -0.03 0.00 0.00 56.01 55.72 2x6j n LEU 801 Cb 0.32 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2x6j n LEU 801 CO 0.41 0.11 -0.02 0.61 -1.33 0.00 0.00 177.39 177.17 2x6j n GLY 802 N 1.45 -0.40 3.77 -0.72 0.00 0.86 -1.03 105.19 109.11 2x6j n GLY 802 Ca 0.08 0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 2x6j n GLY 802 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x6j s VAL 803 N -3.48 2.92 0.29 1.61 1.01 -0.93 0.96 120.40 122.77 2x6j s VAL 803 Ca 0.46 0.91 0.03 0.00 0.00 0.00 0.00 61.98 63.39 2x6j s VAL 803 Cb -0.24 -3.58 -0.06 0.00 0.00 0.00 0.00 36.38 32.50 2x6j s VAL 803 CO 0.87 0.21 0.04 -0.83 0.00 0.00 0.00 175.10 175.39 2x6j s GLY 804 N -0.63 1.88 0.00 4.51 0.00 0.16 -4.81 107.32 108.43 2x6j s GLY 804 Ca 0.49 -1.95 0.00 0.00 0.00 0.00 0.00 44.72 43.26 2x6j s GLY 804 CO 0.49 -1.74 0.00 1.34 0.00 0.00 0.00 173.10 173.19 2x6j n ASP 805 N -0.58 -2.00 -4.68 1.64 -0.08 -1.26 -4.28 116.55 105.30 2x6j n ASP 805 Ca -0.03 0.00 -0.44 0.00 -1.51 0.00 0.00 54.79 52.81 2x6j n ASP 805 Cb 0.66 -0.33 -0.04 0.00 2.34 0.00 0.00 41.12 43.75 2x6j n ASP 805 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2x6j n ARG 806 N -2.67 2.54 -4.39 -0.67 5.12 -1.26 -4.91 116.66 110.41 2x6j n ARG 806 Ca 0.00 0.92 -0.21 0.00 -1.93 0.00 0.00 57.85 56.64 2x6j n ARG 806 Cb 0.00 -2.79 -0.09 0.00 -1.16 0.00 0.00 32.46 28.42 2x6j n ARG 806 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 2x6j s HIS 807 N 2.83 1.70 -0.05 -1.55 -3.43 -1.26 -5.01 115.29 108.52 2x6j s HIS 807 Ca 0.84 -1.28 0.31 0.00 -0.80 0.00 0.00 55.06 54.13 2x6j s HIS 807 Cb -0.56 -1.00 1.36 0.00 -1.43 0.00 0.00 32.58 30.95 2x6j s HIS 807 CO 0.41 -0.38 1.91 -0.07 -2.00 0.00 0.00 174.74 174.61 2x6j h LEU 808 N 2.10 0.00 -0.14 5.38 4.07 -1.93 0.10 115.31 124.90 2x6j h LEU 808 Ca -0.35 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.51 2x6j h LEU 808 Cb 1.25 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.98 2x6j h LEU 808 CO 0.56 0.00 -0.47 0.44 -1.08 0.00 0.00 178.44 177.90 2x6j h ASP 809 N 0.00 0.00 0.45 -0.43 3.32 -1.94 -1.55 116.42 116.26 2x6j h ASP 809 Ca 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 2x6j h ASP 809 Cb 0.34 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 2x6j h ASP 809 CO 0.00 0.47 -0.69 0.78 -1.72 0.00 0.00 179.24 178.08 2x6j h ASN 810 N 0.00 0.25 -3.31 6.45 4.21 -1.14 -3.44 115.58 118.58 2x6j h ASN 810 Ca -0.00 -0.16 -0.65 0.00 1.21 0.00 0.00 56.30 56.70 2x6j h ASN 810 Cb 1.30 -0.07 -0.25 0.00 -1.12 0.00 0.00 38.32 38.18 2x6j h ASN 810 CO 0.06 0.86 -0.72 -0.76 -1.29 0.00 0.00 177.43 175.57 2x6j s LEU 811 N -7.75 2.94 0.32 1.61 1.43 -1.11 -0.51 118.68 115.61 2x6j s LEU 811 Ca -0.03 -0.25 0.10 0.00 -1.03 0.00 0.00 54.13 52.91 2x6j s LEU 811 Cb 0.11 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.60 2x6j s LEU 811 CO 0.80 0.16 -0.04 -1.48 0.23 0.00 0.00 176.35 176.03 2x6j s LEU 812 N 0.38 2.92 -0.01 1.79 2.34 0.29 -2.21 118.68 124.18 2x6j s LEU 812 Ca -0.08 -0.98 0.07 0.00 0.06 0.00 0.00 54.13 53.21 2x6j s LEU 812 Cb -0.15 -1.32 -0.02 0.00 -0.56 0.00 0.00 46.19 44.14 2x6j s LEU 812 CO 0.04 -0.16 -0.23 -0.22 -1.06 0.00 0.00 176.35 174.73 2x6j s LEU 813 N -3.67 2.06 0.29 1.48 2.96 0.39 -1.76 118.68 120.43 2x6j s LEU 813 Ca 0.33 -0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 53.77 2x6j s LEU 813 Cb -0.01 -1.15 -0.05 0.00 0.50 0.00 0.00 46.19 45.47 2x6j s LEU 813 CO 0.18 0.27 0.55 0.42 -1.32 0.00 0.00 176.35 176.45 2x6j s THR 814 N -0.57 5.04 0.38 3.68 -4.23 -0.95 -0.23 115.64 118.77 2x6j s THR 814 Ca 0.09 -0.01 0.15 0.00 -1.18 0.00 0.00 61.69 60.74 2x6j s THR 814 Cb -0.09 -3.74 0.37 0.00 1.34 0.00 0.00 72.50 70.37 2x6j s THR 814 CO -0.00 -0.34 1.79 0.71 -0.54 0.00 0.00 174.62 176.24 2x6j h THR 815 N 1.31 0.60 0.00 3.99 1.35 -1.91 0.98 112.91 119.23 2x6j h THR 815 Ca -0.48 -0.17 -0.04 0.00 -0.55 0.00 0.00 66.41 65.18 2x6j h THR 815 Cb 1.19 0.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.68 2x6j h THR 815 CO 0.66 0.09 -0.17 -1.13 -0.25 0.00 0.00 175.52 174.72 2x6j h ASN 816 N 0.49 0.00 0.00 5.36 -1.24 -1.95 -3.47 115.58 114.77 2x6j h ASN 816 Ca 0.56 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.57 2x6j h ASN 816 Cb 1.28 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.33 2x6j h ASN 816 CO -0.29 0.17 0.00 0.61 -1.29 0.00 0.00 177.43 176.63 2x6j n GLY 817 N -1.00 2.31 3.74 1.57 0.00 0.34 -4.67 105.19 107.47 2x6j n GLY 817 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2x6j n GLY 817 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x6j s LYS 818 N -0.44 4.22 -0.11 1.61 1.02 -1.26 -3.68 119.74 121.10 2x6j s LYS 818 Ca 0.00 2.37 -0.05 0.00 0.02 0.00 0.00 55.97 58.32 2x6j s LYS 818 Cb 0.00 -3.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.17 2x6j s LYS 818 CO 0.00 -0.51 0.06 -1.17 -0.92 0.00 0.00 175.35 172.81 2x6j s LEU 819 N -0.00 3.92 0.04 3.17 2.96 -1.26 -2.23 118.68 125.26 2x6j s LEU 819 Ca 0.63 0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 54.75 2x6j s LEU 819 Cb -0.44 -1.93 -0.02 0.00 0.50 0.00 0.00 46.19 44.31 2x6j s LEU 819 CO 0.41 0.36 0.07 0.72 -1.32 0.00 0.00 176.35 176.59 2x6j s PHE 820 N -0.76 0.24 0.05 5.38 -0.12 -0.72 -4.64 117.98 117.41 2x6j s PHE 820 Ca 0.12 -0.57 -0.07 0.00 -0.05 0.00 0.00 56.93 56.37 2x6j s PHE 820 Cb -0.12 -0.17 -0.05 0.00 -0.63 0.00 0.00 43.02 42.05 2x6j s PHE 820 CO 0.03 -0.35 0.31 -1.01 -0.05 0.00 0.00 175.22 174.15 2x6j s HIS 821 N -2.62 3.56 -0.23 3.49 3.76 -1.26 -0.55 115.29 121.44 2x6j s HIS 821 Ca -0.05 0.61 -0.07 0.00 -0.15 0.00 0.00 55.06 55.40 2x6j s HIS 821 Cb -0.01 -2.02 -0.12 0.00 1.11 0.00 0.00 32.58 31.54 2x6j s HIS 821 CO -0.05 0.56 -0.27 0.44 -0.85 0.00 0.00 174.74 174.58 2x6j n ILE 822 N 0.89 1.29 -4.56 0.60 -5.35 0.33 -4.94 119.36 107.62 2x6j n ILE 822 Ca -0.09 -0.38 -0.34 0.00 -0.27 0.00 0.00 62.75 61.67 2x6j n ILE 822 Cb 0.52 -1.64 -0.12 0.00 -1.74 0.00 0.00 39.64 36.66 2x6j n ILE 822 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2x6j s ASP 823 N -6.80 4.60 -0.49 7.28 -1.08 -1.25 -5.03 116.67 113.89 2x6j s ASP 823 Ca -0.32 -0.11 0.07 0.00 -0.52 0.00 0.00 52.55 51.67 2x6j s ASP 823 Cb 0.11 -1.49 0.37 0.00 -1.46 0.00 0.00 42.92 40.45 2x6j s ASP 823 CO 0.45 0.25 0.95 0.49 0.52 0.00 0.00 175.17 177.83 2x6j n PHE 824 N 2.97 3.09 -0.01 -5.34 3.72 -1.26 -4.77 117.46 115.85 2x6j n PHE 824 Ca -0.18 -3.67 -0.05 0.00 -0.05 0.00 0.00 57.45 53.50 2x6j n PHE 824 Cb 0.53 -0.37 0.15 0.00 -0.94 0.00 0.00 39.48 38.84 2x6j n PHE 824 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2x6j h GLY 825 N 2.89 0.60 -5.51 1.37 0.00 -1.96 -3.42 103.07 97.04 2x6j h GLY 825 Ca 0.15 -0.53 -0.67 0.00 0.00 0.00 0.00 47.33 46.28 2x6j h GLY 825 CO 0.75 0.48 -0.87 -0.19 0.00 0.00 0.00 176.54 176.71 2x6j s TYR 826 N -4.43 2.54 0.02 5.60 2.02 -1.26 -4.95 117.35 116.88 2x6j s TYR 826 Ca -0.07 -1.13 -0.03 0.00 -0.37 0.00 0.00 57.07 55.46 2x6j s TYR 826 Cb 0.13 -1.71 -0.01 0.00 -0.40 0.00 0.00 41.96 39.96 2x6j s TYR 826 CO 0.81 -0.49 0.04 0.42 -1.57 0.00 0.00 175.55 174.76 2x6j s ILE 827 N 0.55 0.11 -1.49 2.71 1.09 -1.25 0.40 121.20 123.31 2x6j s ILE 827 Ca -0.14 -0.89 -0.05 0.00 -1.10 0.00 0.00 60.65 58.47 2x6j s ILE 827 Cb -0.17 -0.42 0.01 0.00 -1.06 0.00 0.00 42.46 40.81 2x6j s ILE 827 CO 0.04 -0.49 0.69 0.18 -0.10 0.00 0.00 174.94 175.27 2x6j n LEU 828 N 1.42 -2.79 0.00 2.97 4.77 0.13 -2.00 117.00 121.50 2x6j n LEU 828 Ca -0.23 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 2x6j n LEU 828 Cb 0.56 -2.93 0.00 0.00 -2.33 0.00 0.00 43.42 38.72 2x6j n LEU 828 CO 0.21 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2x6j n GLY 829 N -1.59 1.09 3.72 -0.72 0.00 0.27 -4.90 105.19 103.06 2x6j n GLY 829 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 2x6j n GLY 829 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x6j s ARG 830 N -0.22 4.24 -0.12 1.61 1.81 -0.85 -4.98 118.95 120.43 2x6j s ARG 830 Ca 0.00 2.31 -0.09 0.00 -1.72 0.00 0.00 55.73 56.23 2x6j s ARG 830 Cb 0.00 -3.16 0.04 0.00 -0.45 0.00 0.00 34.95 31.38 2x6j s ARG 830 CO 0.00 -0.55 0.31 0.34 -0.68 0.00 0.00 175.30 174.72 2x6j s ASP 831 N 0.98 -0.34 0.32 0.23 -1.08 -1.26 -3.84 116.67 111.69 2x6j s ASP 831 Ca 0.67 0.64 0.03 0.00 -0.52 0.00 0.00 52.55 53.37 2x6j s ASP 831 Cb -0.42 0.58 0.63 0.00 -1.46 0.00 0.00 42.92 42.25 2x6j s ASP 831 CO 0.33 -0.14 1.92 1.55 0.52 0.00 0.00 175.17 179.35 2x6j h PRO 832 N 6.44 0.88 -7.17 4.34 0.13 -1.96 -3.42 132.00 131.23 2x6j h PRO 832 Ca -0.33 -0.05 -0.48 0.00 -0.87 0.00 0.00 66.00 64.27 2x6j h PRO 832 Cb 1.18 -0.20 0.03 0.00 0.13 0.00 0.00 31.00 32.14 2x6j h PRO 832 CO 0.33 0.58 0.38 0.15 -0.23 0.00 0.00 178.00 179.21 2x6j s LYS 833 N -5.81 3.69 0.06 0.86 1.02 -1.26 -5.01 119.74 113.28 2x6j s LYS 833 Ca -0.11 1.12 -0.10 0.00 0.02 0.00 0.00 55.97 56.89 2x6j s LYS 833 Cb 0.20 -2.09 -0.29 0.00 -0.52 0.00 0.00 37.83 35.13 2x6j s LYS 833 CO 0.79 -0.50 1.10 -1.00 -0.92 0.00 0.00 175.35 174.82 2x6j h PRO 834 N 0.85 0.45 -2.56 -1.68 0.13 -2.02 -3.40 132.00 123.77 2x6j h PRO 834 Ca -0.47 -0.70 -0.60 0.00 -0.87 0.00 0.00 66.00 63.36 2x6j h PRO 834 Cb 1.20 0.25 -0.40 0.00 0.13 0.00 0.00 31.00 32.18 2x6j h PRO 834 CO 0.59 1.32 -0.78 -1.33 -0.23 0.00 0.00 178.00 177.58 2x6j n MET 835 N -3.67 1.28 -2.24 0.86 2.81 -1.26 -5.10 117.12 109.81 2x6j n MET 835 Ca -0.12 -3.94 -0.41 0.00 -1.81 0.00 0.00 57.70 51.43 2x6j n MET 835 Cb 1.03 -1.94 -0.03 0.00 -0.71 0.00 0.00 33.22 31.57 2x6j n MET 835 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2x6j s PRO 836 N -1.12 4.45 0.43 0.03 0.04 -1.26 -4.98 135.00 132.59 2x6j s PRO 836 Ca 0.31 2.08 -0.25 0.00 0.04 0.00 0.00 61.00 63.18 2x6j s PRO 836 Cb 0.04 -3.11 -0.10 0.00 0.04 0.00 0.00 34.50 31.38 2x6j s PRO 836 CO -0.15 -0.06 1.20 -2.30 0.04 0.00 0.00 177.00 175.74 2x6j n PRO 837 N 0.95 1.75 -0.02 0.56 -0.02 -1.26 -4.92 135.00 132.05 2x6j n PRO 837 Ca -0.00 0.63 -0.07 0.00 -2.02 0.00 0.00 63.50 62.03 2x6j n PRO 837 Cb 0.43 -2.29 0.11 0.00 -0.02 0.00 0.00 33.50 31.72 2x6j n PRO 837 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2x6j h PRO 838 N 1.90 0.60 -6.46 0.52 0.13 -1.94 -3.41 132.00 123.35 2x6j h PRO 838 Ca -0.47 -0.29 -0.66 0.00 -0.87 0.00 0.00 66.00 63.71 2x6j h PRO 838 Cb 1.31 -0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.29 2x6j h PRO 838 CO 0.59 0.87 -0.71 1.41 -0.23 0.00 0.00 178.00 179.93 2x6j s MET 839 N -4.33 2.32 -0.42 0.86 1.75 -1.26 -4.68 119.30 113.54 2x6j s MET 839 Ca -0.08 -0.93 -0.05 0.00 -1.25 0.00 0.00 55.69 53.38 2x6j s MET 839 Cb 0.13 -2.41 0.10 0.00 2.84 0.00 0.00 34.83 35.49 2x6j s MET 839 CO 0.82 0.53 0.23 0.15 -0.65 0.00 0.00 175.02 176.10 2x6j s LYS 840 N -2.19 2.22 -0.10 4.11 -0.14 -1.26 -4.79 119.74 117.59 2x6j s LYS 840 Ca 0.23 -1.73 0.02 0.00 -1.36 0.00 0.00 55.97 53.13 2x6j s LYS 840 Cb -0.11 -3.67 0.01 0.00 -1.68 0.00 0.00 37.83 32.38 2x6j s LYS 840 CO 0.15 -1.06 -0.16 -0.51 -0.76 0.00 0.00 175.35 173.01 2x6j s LEU 841 N 1.24 1.75 0.63 3.17 1.43 -1.26 -4.90 118.68 120.74 2x6j s LEU 841 Ca 0.06 -0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 52.57 2x6j s LEU 841 Cb -0.23 -1.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.90 2x6j s LEU 841 CO -0.02 0.04 1.19 -0.94 0.23 0.00 0.00 176.35 176.84 2x6j s SER 842 N 0.82 4.98 0.32 2.29 1.04 -1.26 -4.89 113.70 117.00 2x6j s SER 842 Ca -0.10 2.31 -0.00 0.00 0.48 0.00 0.00 55.95 58.64 2x6j s SER 842 Cb -0.16 -2.59 0.52 0.00 0.10 0.00 0.00 66.02 63.90 2x6j s SER 842 CO 0.01 -1.73 1.97 0.50 0.98 0.00 0.00 173.24 174.97 2x6j h LYS 843 N 0.51 0.99 -0.02 4.02 3.64 -1.98 -2.83 116.57 120.90 2x6j h LYS 843 Ca -0.49 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 58.76 2x6j h LYS 843 Cb 1.29 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 2x6j h LYS 843 CO 0.54 0.66 -0.32 0.93 -2.27 0.00 0.00 179.45 178.99 2x6j h GLU 844 N 1.02 0.03 -0.29 1.90 3.07 -1.94 -1.82 114.58 116.54 2x6j h GLU 844 Ca 0.30 -0.01 -0.14 0.00 -0.50 0.00 0.00 59.36 59.01 2x6j h GLU 844 Cb -0.05 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 2x6j h GLU 844 CO -0.07 0.35 -0.38 0.52 -1.40 0.00 0.00 179.01 178.02 2x6j h MET 845 N 0.03 0.68 -0.33 2.33 2.86 -1.87 -1.88 114.93 116.74 2x6j h MET 845 Ca 0.00 -0.34 -0.17 0.00 -2.06 0.00 0.00 59.70 57.13 2x6j h MET 845 Cb 0.58 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.24 2x6j h MET 845 CO 0.04 0.95 -0.46 0.28 1.06 0.00 0.00 176.91 178.78 2x6j h VAL 846 N 0.57 1.28 -0.45 -2.22 2.07 -1.30 -2.77 116.25 113.42 2x6j h VAL 846 Ca 0.05 -1.64 -0.04 0.00 0.82 0.00 0.00 66.70 65.89 2x6j h VAL 846 Cb 0.91 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 2x6j h VAL 846 CO 0.08 0.54 0.12 -0.33 0.02 0.00 0.00 177.57 178.00 2x6j h GLU 847 N 0.70 0.67 0.00 1.57 5.08 -1.29 -1.62 114.58 119.69 2x6j h GLU 847 Ca 0.04 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2x6j h GLU 847 Cb 1.05 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 2x6j h GLU 847 CO 0.11 0.61 -0.11 0.00 -1.00 0.00 0.00 179.01 178.61 2x6j h ALA 848 N 1.48 1.70 -0.00 3.43 0.00 -1.06 0.12 119.26 124.93 2x6j h ALA 848 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2x6j h ALA 848 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2x6j h ALA 848 CO -0.00 0.14 -0.05 -1.33 0.00 0.00 0.00 179.25 178.01 2x6j n MET 849 N -4.24 0.15 -0.19 0.00 2.81 -0.65 -4.91 117.12 110.09 2x6j n MET 849 Ca -0.03 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 2x6j n MET 849 Cb 0.19 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 2x6j n MET 849 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2x6j n GLY 850 N 1.43 0.90 0.00 3.03 0.00 0.43 -3.74 105.19 107.25 2x6j n GLY 850 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2x6j n GLY 850 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x6j n GLY 851 N -2.19 -0.61 0.24 -0.02 0.00 -0.94 -4.10 105.19 97.57 2x6j n GLY 851 Ca 0.00 -1.69 0.01 0.00 0.00 0.00 0.00 46.02 44.34 2x6j n GLY 851 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2x6j h ILE 852 N 0.00 1.21 0.00 -0.61 6.09 -1.93 -1.72 117.51 120.54 2x6j h ILE 852 Ca 0.00 -0.91 -0.11 0.00 -1.37 0.00 0.00 64.86 62.47 2x6j h ILE 852 Cb 0.00 1.21 -0.02 0.00 0.47 0.00 0.00 36.82 38.48 2x6j h ILE 852 CO 0.00 0.29 -0.53 -1.28 -3.07 0.00 0.00 178.15 173.56 2x6j h SER 853 N 0.31 0.00 -4.04 2.19 0.87 -1.99 -3.44 113.55 107.45 2x6j h SER 853 Ca 0.06 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.07 2x6j h SER 853 Cb 0.44 0.00 0.14 0.00 -0.44 0.00 0.00 62.40 62.54 2x6j h SER 853 CO 0.03 0.53 0.63 -0.94 -0.53 0.00 0.00 176.83 176.54 2x6j s SER 854 N -6.82 5.31 0.19 6.23 1.04 -0.65 -4.93 113.70 114.08 2x6j s SER 854 Ca -0.02 2.80 -0.04 0.00 0.48 0.00 0.00 55.95 59.18 2x6j s SER 854 Cb 0.13 -2.64 0.12 0.00 0.10 0.00 0.00 66.02 63.73 2x6j s SER 854 CO 0.74 -1.55 1.53 -0.08 0.98 0.00 0.00 173.24 174.87 2x6j h GLU 855 N 1.55 0.63 -1.00 4.02 4.81 -1.86 -2.86 114.58 119.87 2x6j h GLU 855 Ca -0.51 -0.36 0.14 0.00 -0.13 0.00 0.00 59.36 58.50 2x6j h GLU 855 Cb 1.30 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 30.61 2x6j h GLU 855 CO 0.58 0.97 0.62 0.45 -0.73 0.00 0.00 179.01 180.89 2x6j h HIS 856 N 0.50 1.11 -0.83 0.92 3.86 -1.92 0.87 115.15 119.67 2x6j h HIS 856 Ca 0.03 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2x6j h HIS 856 Cb 1.01 -0.35 -0.04 0.00 1.06 0.00 0.00 27.41 29.09 2x6j h HIS 856 CO 0.05 0.39 0.53 1.25 0.86 0.00 0.00 177.93 181.00 2x6j h HIS 857 N 0.93 1.06 -0.35 2.45 -0.00 -1.59 0.59 115.15 118.23 2x6j h HIS 857 Ca 0.51 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.87 2x6j h HIS 857 Cb 0.59 -0.35 -0.02 0.00 -0.00 0.00 0.00 27.41 27.63 2x6j h HIS 857 CO -0.01 0.69 0.13 1.25 -0.00 0.00 0.00 177.93 179.99 2x6j h HIS 858 N 1.13 0.55 -0.75 5.26 6.17 -0.87 -1.31 115.15 125.33 2x6j h HIS 858 Ca 0.30 -0.05 0.04 0.00 0.71 0.00 0.00 60.37 61.37 2x6j h HIS 858 Cb -0.09 -0.16 -0.05 0.00 2.52 0.00 0.00 27.41 29.62 2x6j h HIS 858 CO -0.01 0.53 0.46 0.93 0.71 0.00 0.00 177.93 180.55 2x6j h GLU 859 N 0.42 0.85 -0.60 5.26 4.39 -0.69 -0.98 114.58 123.24 2x6j h GLU 859 Ca 0.12 -0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.80 2x6j h GLU 859 Cb 0.22 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 2x6j h GLU 859 CO -0.01 0.56 0.36 0.35 -1.16 0.00 0.00 179.01 179.12 2x6j h PHE 860 N 0.88 0.67 -0.29 4.33 3.57 -0.51 -0.10 116.94 125.49 2x6j h PHE 860 Ca 0.31 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 2x6j h PHE 860 Cb 0.08 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 2x6j h PHE 860 CO -0.04 0.37 -0.01 0.00 -2.23 0.00 0.00 178.31 176.40 2x6j h ARG 861 N 0.70 0.52 -0.96 1.11 3.08 -0.91 -1.65 114.38 116.27 2x6j h ARG 861 Ca 0.25 -0.17 0.10 0.00 0.07 0.00 0.00 59.98 60.23 2x6j h ARG 861 Cb 0.06 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 29.99 2x6j h ARG 861 CO -0.12 0.68 0.62 -0.22 -1.07 0.00 0.00 179.97 179.85 2x6j h LYS 862 N 0.31 0.97 -0.58 0.04 3.64 -0.83 -1.98 116.57 118.14 2x6j h LYS 862 Ca 0.08 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 2x6j h LYS 862 Cb 0.45 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2x6j h LYS 862 CO 0.02 0.64 0.15 0.37 -2.27 0.00 0.00 179.45 178.36 2x6j h GLN 863 N 1.00 0.91 -0.64 1.90 5.75 -0.14 -2.54 115.11 121.35 2x6j h GLN 863 Ca 0.45 -0.21 -0.00 0.00 -0.15 0.00 0.00 58.65 58.73 2x6j h GLN 863 Cb 0.37 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.77 2x6j h GLN 863 CO -0.20 0.84 0.38 0.00 -2.65 0.00 0.00 178.83 177.20 2x6j h TYR 865 N 0.87 0.17 -0.43 0.00 0.05 -1.03 -0.42 116.97 116.18 2x6j h TYR 865 Ca 0.23 -0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.92 2x6j h TYR 865 Cb -0.02 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 2x6j h TYR 865 CO -0.02 0.17 -0.07 0.00 -1.05 0.00 0.00 178.16 177.18 2x6j h THR 866 N 0.13 1.27 -0.67 -2.88 1.03 -1.37 0.35 112.91 110.77 2x6j h THR 866 Ca 0.05 -1.16 0.13 0.00 -0.01 0.00 0.00 66.41 65.41 2x6j h THR 866 Cb 0.04 1.14 -0.09 0.00 -1.07 0.00 0.00 68.15 68.17 2x6j h THR 866 CO -0.01 0.40 0.19 0.00 -0.01 0.00 0.00 175.52 176.09 2x6j h ALA 867 N 0.87 0.86 -0.36 0.00 0.00 -0.85 -0.64 119.26 119.14 2x6j h ALA 867 Ca 0.11 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2x6j h ALA 867 Cb 0.60 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2x6j h ALA 867 CO 0.04 -0.28 0.13 -0.92 0.00 0.00 0.00 179.25 178.22 2x6j h TYR 868 N 0.32 0.56 -0.53 0.00 3.20 -0.43 -1.61 116.97 118.48 2x6j h TYR 868 Ca 0.36 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.18 2x6j h TYR 868 Cb 0.56 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 2x6j h TYR 868 CO -0.22 0.53 0.33 -0.07 -1.64 0.00 0.00 178.16 177.09 2x6j h LEU 869 N 0.43 0.63 0.17 2.82 3.38 0.31 -0.25 115.31 122.80 2x6j h LEU 869 Ca 0.12 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2x6j h LEU 869 Cb 0.22 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2x6j h LEU 869 CO -0.01 0.48 -0.08 0.45 0.09 0.00 0.00 178.44 179.37 2x6j h HIS 870 N 0.71 -0.21 -0.96 1.13 3.86 -1.10 -2.81 115.15 115.78 2x6j h HIS 870 Ca 0.19 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.47 2x6j h HIS 870 Cb -0.04 0.07 -0.07 0.00 1.06 0.00 0.00 27.41 28.43 2x6j h HIS 870 CO -0.03 0.02 0.61 -0.07 0.86 0.00 0.00 177.93 179.32 2x6j h LEU 871 N -0.42 0.96 -0.90 2.43 3.38 -1.08 0.46 115.31 120.15 2x6j h LEU 871 Ca -0.02 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.11 2x6j h LEU 871 Cb 0.33 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 40.80 2x6j h LEU 871 CO 0.04 0.60 0.50 0.03 0.09 0.00 0.00 178.44 179.69 2x6j h ARG 872 N 1.08 0.70 -0.71 1.13 3.08 -0.97 -2.55 114.38 116.14 2x6j h ARG 872 Ca 0.42 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.41 2x6j h ARG 872 Cb 0.22 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 2x6j h ARG 872 CO -0.19 0.46 0.35 0.00 -1.07 0.00 0.00 179.97 179.53 2x6j h ARG 873 N 0.72 1.02 -2.05 0.04 3.08 0.19 -1.79 114.38 115.60 2x6j h ARG 873 Ca 0.48 -0.14 -0.68 0.00 0.07 0.00 0.00 59.98 59.70 2x6j h ARG 873 Cb 0.64 -0.19 -0.23 0.00 0.08 0.00 0.00 29.97 30.27 2x6j h ARG 873 CO -0.34 0.80 0.90 0.72 -1.07 0.00 0.00 179.97 180.98 2x6j n HIS 874 N -4.44 2.50 -0.28 3.04 8.25 -0.97 -4.62 115.22 118.69 2x6j n HIS 874 Ca 0.06 -2.24 -0.06 0.00 -0.26 0.00 0.00 57.72 55.22 2x6j n HIS 874 Cb 0.12 -1.28 0.06 0.00 1.12 0.00 0.00 29.99 30.01 2x6j n HIS 874 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2x6j h ALA 875 N 3.16 1.01 -0.45 -1.41 0.00 -1.22 -3.33 119.26 117.02 2x6j h ALA 875 Ca 0.52 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 2x6j h ALA 875 Cb 0.28 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2x6j h ALA 875 CO 1.24 0.63 0.22 -0.91 0.00 0.00 0.00 179.25 180.43 2x6j h ASN 876 N 1.12 0.59 -0.52 0.00 -0.26 -1.85 -2.58 115.58 112.07 2x6j h ASN 876 Ca 0.26 -0.12 0.05 0.00 -0.56 0.00 0.00 56.30 55.93 2x6j h ASN 876 Cb 0.21 -0.15 -0.05 0.00 -1.06 0.00 0.00 38.32 37.27 2x6j h ASN 876 CO -0.02 0.54 0.25 0.58 -1.06 0.00 0.00 177.43 177.72 2x6j h VAL 877 N 0.59 0.93 -0.52 2.81 2.07 -1.93 0.10 116.25 120.30 2x6j h VAL 877 Ca 0.16 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 2x6j h VAL 877 Cb 0.11 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 2x6j h VAL 877 CO -0.02 0.09 0.25 0.24 0.02 0.00 0.00 177.57 178.15 2x6j h MET 878 N 0.49 0.75 -0.34 1.57 2.86 -1.67 -2.52 114.93 116.06 2x6j h MET 878 Ca 0.23 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 2x6j h MET 878 Cb 0.16 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 2x6j h MET 878 CO -0.18 0.62 0.14 -0.07 1.06 0.00 0.00 176.91 178.49 2x6j h LEU 879 N 0.69 0.47 -0.84 1.22 3.38 -0.81 -0.43 115.31 118.99 2x6j h LEU 879 Ca 0.18 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2x6j h LEU 879 Cb 0.12 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2x6j h LEU 879 CO -0.02 0.50 0.50 0.78 0.09 0.00 0.00 178.44 180.28 2x6j h ASN 880 N 0.41 1.01 -0.25 -0.43 2.35 -1.04 0.70 115.58 118.34 2x6j h ASN 880 Ca 0.12 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2x6j h ASN 880 Cb 0.17 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 2x6j h ASN 880 CO -0.01 0.78 0.14 -0.07 -1.65 0.00 0.00 177.43 176.62 2x6j h LEU 881 N 1.15 0.31 -0.76 1.61 3.38 -0.89 -1.44 115.31 118.67 2x6j h LEU 881 Ca 0.30 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 58.09 2x6j h LEU 881 Cb -0.04 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2x6j h LEU 881 CO -0.06 0.30 -0.10 -0.26 0.09 0.00 0.00 178.44 178.41 2x6j h PHE 882 N 0.29 0.91 0.00 1.13 0.04 -0.75 -1.33 116.94 117.24 2x6j h PHE 882 Ca 0.09 -0.17 -0.00 0.00 2.80 0.00 0.00 57.97 60.69 2x6j h PHE 882 Cb 0.06 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 37.98 2x6j h PHE 882 CO -0.04 0.89 -0.00 0.77 -0.60 0.00 0.00 178.31 179.33 2x6j h SER 883 N 0.75 0.00 1.35 2.17 0.02 -0.47 0.20 113.55 117.57 2x6j h SER 883 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2x6j h SER 883 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2x6j h SER 883 CO 0.04 0.00 -0.23 -0.07 -1.14 0.00 0.00 176.83 175.44 2x6j h LEU 884 N 0.00 0.00 -2.30 5.07 3.38 -0.20 -3.28 115.31 117.98 2x6j h LEU 884 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2x6j h LEU 884 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2x6j h LEU 884 CO 0.00 0.03 0.00 0.23 0.09 0.00 0.00 178.44 178.79 2x6j n MET 885 N -2.35 2.68 -0.27 1.13 2.81 0.70 -4.44 117.12 117.37 2x6j n MET 885 Ca 0.04 -2.16 -0.04 0.00 -1.81 0.00 0.00 57.70 53.73 2x6j n MET 885 Cb 0.45 -1.58 0.07 0.00 -0.71 0.00 0.00 33.22 31.45 2x6j n MET 885 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2x6j h VAL 886 N 3.34 1.18 -0.71 2.03 2.07 -1.56 -2.48 116.25 120.12 2x6j h VAL 886 Ca 0.00 -0.34 -0.16 0.00 0.82 0.00 0.00 66.70 67.02 2x6j h VAL 886 Cb 0.95 0.09 -0.09 0.00 -1.52 0.00 0.00 31.29 30.72 2x6j h VAL 886 CO 0.08 0.18 0.20 0.47 0.02 0.00 0.00 177.57 178.52 2x6j n ASP 887 N -4.57 5.14 -0.18 0.57 8.00 -1.26 -4.72 116.55 119.53 2x6j n ASP 887 Ca 0.07 -3.14 -0.10 0.00 0.71 0.00 0.00 54.79 52.34 2x6j n ASP 887 Cb 0.02 -0.73 0.01 0.00 -0.02 0.00 0.00 41.12 40.40 2x6j n ASP 887 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x6j h ALA 888 N 3.09 0.71 0.00 2.24 0.00 -1.73 -3.47 119.26 120.10 2x6j h ALA 888 Ca 0.20 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2x6j h ALA 888 Cb 2.26 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.86 2x6j h ALA 888 CO 0.68 0.52 0.00 -2.37 0.00 0.00 0.00 179.25 178.09 2x6j n THR 889 N -4.29 0.00 -1.67 0.00 5.66 -1.26 -5.07 114.28 107.65 2x6j n THR 889 Ca 0.01 0.00 -0.46 0.00 -3.05 0.00 0.00 64.05 60.56 2x6j n THR 889 Cb 0.32 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.07 2x6j n THR 889 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2x6j n VAL 890 N -2.00 0.32 -0.27 1.08 0.31 -1.26 -4.90 118.33 111.61 2x6j n VAL 890 Ca 0.00 -0.08 -0.03 0.00 -0.01 0.00 0.00 64.34 64.22 2x6j n VAL 890 Cb 0.00 -1.51 0.09 0.00 -0.91 0.00 0.00 33.84 31.51 2x6j n VAL 890 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2x6j h PRO 891 N 5.32 0.88 -0.32 5.55 0.13 -1.98 -2.52 132.00 139.06 2x6j h PRO 891 Ca -0.45 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 2x6j h PRO 891 Cb 1.26 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 2x6j h PRO 891 CO 0.84 0.58 -0.18 -0.44 -0.23 0.00 0.00 178.00 178.57 2x6j h ASP 892 N 0.90 0.58 -0.28 1.44 3.32 -1.92 -1.79 116.42 118.68 2x6j h ASP 892 Ca 0.30 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 2x6j h ASP 892 Cb 0.03 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2x6j h ASP 892 CO -0.12 0.77 0.02 0.40 -1.72 0.00 0.00 179.24 178.60 2x6j h ILE 893 N 0.53 1.24 -0.85 0.35 2.04 -1.89 -3.33 117.51 115.60 2x6j h ILE 893 Ca 0.09 -0.86 0.17 0.00 1.00 0.00 0.00 64.86 65.26 2x6j h ILE 893 Cb 0.61 1.27 -0.06 0.00 -0.74 0.00 0.00 36.82 37.90 2x6j h ILE 893 CO 0.04 0.27 0.56 0.00 0.00 0.00 0.00 178.15 179.03 2x6j h ALA 894 N 0.84 2.09 -0.15 1.87 0.00 -0.87 0.54 119.26 123.59 2x6j h ALA 894 Ca 0.08 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2x6j h ALA 894 Cb 0.38 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2x6j h ALA 894 CO 0.01 -0.34 -0.02 -0.07 0.00 0.00 0.00 179.25 178.84 2x6j h LEU 895 N 0.47 0.27 -6.17 0.00 4.07 -1.64 -3.32 115.31 108.98 2x6j h LEU 895 Ca 0.43 -0.34 -0.58 0.00 0.08 0.00 0.00 57.88 57.47 2x6j h LEU 895 Cb 0.96 -0.07 -0.40 0.00 1.08 0.00 0.00 40.66 42.23 2x6j h LEU 895 CO -0.17 0.54 -0.86 -0.62 -1.08 0.00 0.00 178.44 176.25 2x6j n GLU 896 N -4.73 1.46 -0.18 1.13 1.02 -1.04 -5.00 120.64 113.30 2x6j n GLU 896 Ca -0.05 -3.87 -0.07 0.00 -0.02 0.00 0.00 57.16 53.14 2x6j n GLU 896 Cb 0.23 -1.73 0.02 0.00 -0.02 0.00 0.00 31.44 29.95 2x6j n GLU 896 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2x6j h PRO 897 N 4.27 0.73 -0.84 3.49 0.13 -0.02 -1.32 132.00 138.44 2x6j h PRO 897 Ca 0.14 -0.08 0.03 0.00 -0.87 0.00 0.00 66.00 65.22 2x6j h PRO 897 Cb 0.79 -0.14 -0.05 0.00 0.13 0.00 0.00 31.00 31.73 2x6j h PRO 897 CO 0.62 0.56 0.55 0.38 -0.23 0.00 0.00 178.00 179.88 2x6j h ASP 898 N 0.70 0.91 1.88 1.44 3.04 -1.88 -3.09 116.42 119.41 2x6j h ASP 898 Ca 0.18 -0.01 -0.00 0.00 -3.24 0.00 0.00 57.03 53.96 2x6j h ASP 898 Cb 0.04 -0.21 -0.00 0.00 -1.04 0.00 0.00 39.33 38.11 2x6j h ASP 898 CO -0.03 0.63 -0.02 0.11 -2.04 0.00 0.00 179.24 177.89 2x6j h LYS 899 N 1.06 0.00 -0.06 4.15 1.57 -1.62 -3.38 116.57 118.30 2x6j h LYS 899 Ca 0.33 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.15 2x6j h LYS 899 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 2x6j h LYS 899 CO -0.09 0.02 -0.29 0.00 -0.57 0.00 0.00 179.45 178.53 2x6j h ALA 900 N 1.98 -0.36 -0.69 3.86 0.00 -1.33 -1.91 119.26 120.80 2x6j h ALA 900 Ca -0.00 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.00 2x6j h ALA 900 Cb 0.97 0.52 -0.07 0.00 0.00 0.00 0.00 17.79 19.21 2x6j h ALA 900 CO 0.00 -0.78 0.35 0.28 0.00 0.00 0.00 179.25 179.11 2x6j h VAL 901 N -0.40 0.87 -0.68 0.00 2.07 -1.78 -0.23 116.25 116.10 2x6j h VAL 901 Ca 0.08 -0.21 0.10 0.00 0.82 0.00 0.00 66.70 67.49 2x6j h VAL 901 Cb 0.51 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 2x6j h VAL 901 CO -0.28 0.11 0.45 0.11 0.02 0.00 0.00 177.57 177.98 2x6j h LYS 902 N 0.61 0.52 -0.33 1.57 1.79 -1.61 -1.50 116.57 117.63 2x6j h LYS 902 Ca 0.34 -0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.71 2x6j h LYS 902 Cb 0.33 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 2x6j h LYS 902 CO -0.25 0.35 -0.04 0.87 -1.08 0.00 0.00 179.45 179.30 2x6j h LYS 903 N 0.54 0.60 -0.41 3.15 1.57 -0.30 -0.59 116.57 121.13 2x6j h LYS 903 Ca 0.31 -0.21 -0.08 0.00 -1.87 0.00 0.00 60.65 58.80 2x6j h LYS 903 Cb 0.50 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 2x6j h LYS 903 CO -0.10 0.75 -0.08 0.28 -0.57 0.00 0.00 179.45 179.73 2x6j h VAL 904 N 0.39 1.25 -0.47 0.50 2.07 -1.19 -2.61 116.25 116.18 2x6j h VAL 904 Ca 0.09 -1.08 -0.09 0.00 0.82 0.00 0.00 66.70 66.44 2x6j h VAL 904 Cb 0.51 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2x6j h VAL 904 CO 0.02 0.37 -0.07 -0.08 0.02 0.00 0.00 177.57 177.83 2x6j h GLU 905 N 0.65 0.83 -0.61 1.57 4.81 -0.90 -1.78 114.58 119.15 2x6j h GLU 905 Ca 0.12 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 2x6j h GLU 905 Cb 0.52 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 2x6j h GLU 905 CO 0.03 0.88 0.32 0.93 -0.73 0.00 0.00 179.01 180.44 2x6j h GLU 906 N 0.76 0.86 0.00 1.92 5.08 -0.97 -2.32 114.58 119.92 2x6j h GLU 906 Ca 0.13 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2x6j h GLU 906 Cb 0.55 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 2x6j h GLU 906 CO 0.03 0.67 -0.06 -0.91 -1.00 0.00 0.00 179.01 177.75 2x6j h ASN 907 N 0.83 0.00 1.72 1.42 4.21 -1.00 -2.10 115.58 120.66 2x6j h ASN 907 Ca 0.21 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.67 2x6j h ASN 907 Cb 0.07 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.27 2x6j h ASN 907 CO -0.03 0.06 -0.25 -0.07 -1.29 0.00 0.00 177.43 175.85 2x6j h LEU 908 N 0.00 0.00 -2.08 1.61 3.38 -0.79 -3.47 115.31 113.96 2x6j h LEU 908 Ca -0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 2x6j h LEU 908 Cb 0.10 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.86 2x6j h LEU 908 CO 0.01 0.25 -0.88 0.00 0.09 0.00 0.00 178.44 177.91 2x6j n GLN 909 N -3.17 -3.50 0.17 1.13 1.13 -0.79 -4.83 117.38 107.52 2x6j n GLN 909 Ca 0.03 0.49 0.03 0.00 -1.94 0.00 0.00 57.00 55.61 2x6j n GLN 909 Cb 0.62 -4.69 0.42 0.00 0.11 0.00 0.00 30.24 26.70 2x6j n GLN 909 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2x6j h LEU 910 N -1.85 0.11 -2.07 1.08 3.38 -1.87 -2.13 115.31 111.96 2x6j h LEU 910 Ca -0.63 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.34 2x6j h LEU 910 Cb 1.37 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 2x6j h LEU 910 CO 0.58 0.32 0.06 1.23 0.09 0.00 0.00 178.44 180.72 2x6j h GLY 911 N 0.75 0.00 -3.77 0.83 0.00 -1.93 -3.43 103.07 95.51 2x6j h GLY 911 Ca 0.02 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.85 2x6j h GLY 911 CO 0.03 0.00 0.48 1.08 0.00 0.00 0.00 176.54 178.13 2x6j s LEU 912 N -8.79 4.53 0.81 3.11 1.43 -0.80 -5.03 118.68 113.93 2x6j s LEU 912 Ca -0.05 2.28 -0.11 0.00 -1.03 0.00 0.00 54.13 55.22 2x6j s LEU 912 Cb 0.17 -3.65 0.08 0.00 0.03 0.00 0.00 46.19 42.82 2x6j s LEU 912 CO 0.66 -0.18 1.12 0.28 0.23 0.00 0.00 176.35 178.47 2x6j s THR 913 N -1.18 2.78 0.22 5.49 -1.32 -1.26 -4.72 115.64 115.65 2x6j s THR 913 Ca 0.45 0.27 -0.08 0.00 -1.21 0.00 0.00 61.69 61.13 2x6j s THR 913 Cb -0.32 -2.61 0.17 0.00 -1.51 0.00 0.00 72.50 68.23 2x6j s THR 913 CO 0.41 -0.31 1.77 0.44 -2.21 0.00 0.00 174.62 174.72 2x6j h ASP 914 N -1.20 0.40 -0.85 8.08 5.19 -1.97 0.15 116.42 126.23 2x6j h ASP 914 Ca -0.44 0.07 0.01 0.00 -0.62 0.00 0.00 57.03 56.05 2x6j h ASP 914 Cb 1.25 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.72 2x6j h ASP 914 CO 0.48 0.23 0.56 -0.33 -3.12 0.00 0.00 179.24 177.06 2x6j h GLU 915 N 0.55 1.11 -0.18 3.56 3.07 -2.00 -2.31 114.58 118.38 2x6j h GLU 915 Ca 0.34 -0.07 -0.11 0.00 -0.50 0.00 0.00 59.36 59.02 2x6j h GLU 915 Cb 0.37 -0.25 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 2x6j h GLU 915 CO -0.28 0.73 -0.32 0.93 -1.40 0.00 0.00 179.01 178.67 2x6j h GLU 916 N 1.14 0.53 -0.19 2.33 5.08 -1.51 -2.32 114.58 119.65 2x6j h GLU 916 Ca 0.31 -0.34 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2x6j h GLU 916 Cb -0.12 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.09 2x6j h GLU 916 CO -0.07 0.94 -0.46 0.00 -1.00 0.00 0.00 179.01 178.42 2x6j h ALA 917 N 0.59 -0.64 -0.72 3.43 0.00 -0.59 -0.01 119.26 121.32 2x6j h ALA 917 Ca 0.01 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.04 2x6j h ALA 917 Cb 0.91 0.87 -0.09 0.00 0.00 0.00 0.00 17.79 19.49 2x6j h ALA 917 CO 0.07 -0.96 0.29 0.28 0.00 0.00 0.00 179.25 178.93 2x6j h VAL 918 N -0.48 0.71 -0.49 0.00 2.07 -1.37 0.76 116.25 117.44 2x6j h VAL 918 Ca 0.08 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.48 2x6j h VAL 918 Cb 0.63 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 2x6j h VAL 918 CO -0.45 0.08 0.25 1.56 0.02 0.00 0.00 177.57 179.03 2x6j h GLN 919 N 0.45 0.47 -0.54 1.57 4.20 -0.69 0.26 115.11 120.83 2x6j h GLN 919 Ca 0.38 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 59.05 2x6j h GLN 919 Cb 0.53 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 2x6j h GLN 919 CO -0.37 0.31 0.28 1.25 -0.67 0.00 0.00 178.83 179.64 2x6j h HIS 920 N 0.48 0.76 -0.31 2.96 -0.00 0.92 -0.61 115.15 119.35 2x6j h HIS 920 Ca 0.22 -0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.46 2x6j h HIS 920 Cb 0.13 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.29 2x6j h HIS 920 CO -0.10 0.57 -0.21 1.25 -0.00 0.00 0.00 177.93 179.43 2x6j h LEU 921 N 0.72 0.59 -0.40 0.26 5.85 -0.20 -2.54 115.31 119.59 2x6j h LEU 921 Ca 0.19 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2x6j h LEU 921 Cb 0.08 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 2x6j h LEU 921 CO -0.03 0.80 0.24 -0.61 -0.34 0.00 0.00 178.44 178.50 2x6j h GLN 922 N 0.52 0.54 -0.57 1.25 4.15 0.31 -0.97 115.11 120.34 2x6j h GLN 922 Ca 0.08 -0.05 0.11 0.00 0.77 0.00 0.00 58.65 59.56 2x6j h GLN 922 Cb 0.65 -0.11 -0.08 0.00 0.21 0.00 0.00 27.48 28.15 2x6j h GLN 922 CO 0.05 0.40 0.11 0.66 -1.93 0.00 0.00 178.83 178.12 2x6j h SER 923 N 0.52 -0.01 -0.51 -0.69 4.64 -0.73 -0.61 113.55 116.15 2x6j h SER 923 Ca 0.14 0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.54 2x6j h SER 923 Cb 0.00 0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 2x6j h SER 923 CO -0.03 0.01 0.19 -0.07 -0.87 0.00 0.00 176.83 176.06 2x6j h LEU 924 N 0.24 0.71 -0.03 5.97 3.38 -1.11 -1.72 115.31 122.75 2x6j h LEU 924 Ca 0.30 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 58.11 2x6j h LEU 924 Cb 0.43 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2x6j h LEU 924 CO -0.39 0.70 -0.15 -0.07 0.09 0.00 0.00 178.44 178.62 2x6j h LEU 925 N 0.68 -0.45 -0.02 1.67 3.38 -0.75 -2.64 115.31 117.18 2x6j h LEU 925 Ca 0.17 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.24 2x6j h LEU 925 Cb 0.23 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 2x6j h LEU 925 CO -0.01 -0.21 -0.28 0.44 0.09 0.00 0.00 178.44 178.47 2x6j h ASP 926 N -0.24 -0.83 -0.48 -0.43 3.45 -0.59 -0.31 116.42 116.98 2x6j h ASP 926 Ca 0.06 0.11 0.05 0.00 0.43 0.00 0.00 57.03 57.68 2x6j h ASP 926 Cb 0.32 0.34 -0.05 0.00 -0.56 0.00 0.00 39.33 39.39 2x6j h ASP 926 CO -0.17 -0.34 0.22 -0.37 -1.57 0.00 0.00 179.24 177.01 2x6j h VAL 927 N -0.41 0.92 -0.43 -1.35 -1.51 -1.30 -0.12 116.25 112.05 2x6j h VAL 927 Ca 0.07 -0.15 -0.00 0.00 -1.23 0.00 0.00 66.70 65.38 2x6j h VAL 927 Cb 0.51 0.45 -0.02 0.00 -2.13 0.00 0.00 31.29 30.10 2x6j h VAL 927 CO -0.25 0.08 0.25 0.28 -1.23 0.00 0.00 177.57 176.70 2x6j h SER 928 N 0.43 0.52 -0.15 4.19 0.02 -0.97 -1.74 113.55 115.85 2x6j h SER 928 Ca 0.22 -0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 61.05 2x6j h SER 928 Cb 0.16 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 2x6j h SER 928 CO -0.18 0.43 -0.13 0.40 -1.14 0.00 0.00 176.83 176.22 2x6j h ILE 929 N 0.56 1.34 -0.52 3.27 2.04 -0.59 -2.64 117.51 120.96 2x6j h ILE 929 Ca 0.15 -1.26 0.07 0.00 1.00 0.00 0.00 64.86 64.82 2x6j h ILE 929 Cb 0.01 1.84 -0.06 0.00 -0.74 0.00 0.00 36.82 37.87 2x6j h ILE 929 CO -0.03 0.37 0.20 0.71 0.00 0.00 0.00 178.15 179.40 2x6j h THR 930 N -0.01 0.84 -0.69 -0.27 1.35 -0.89 0.66 112.91 113.91 2x6j h THR 930 Ca 0.03 -0.13 0.07 0.00 -0.55 0.00 0.00 66.41 65.83 2x6j h THR 930 Cb 0.64 0.42 -0.06 0.00 -1.73 0.00 0.00 68.15 67.42 2x6j h THR 930 CO 0.03 0.07 0.37 0.00 -0.25 0.00 0.00 175.52 175.74 2x6j h ALA 931 N 1.34 0.93 -0.17 6.62 0.00 -1.28 -2.33 119.26 124.38 2x6j h ALA 931 Ca 0.25 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 2x6j h ALA 931 Cb 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2x6j h ALA 931 CO -0.24 0.01 -0.31 0.28 0.00 0.00 0.00 179.25 178.99 2x6j h VAL 932 N 0.65 1.27 -3.40 0.00 2.07 -0.88 -3.43 116.25 112.54 2x6j h VAL 932 Ca 0.32 -1.32 -0.60 0.00 0.82 0.00 0.00 66.70 65.92 2x6j h VAL 932 Cb 0.26 1.49 -0.11 0.00 -1.52 0.00 0.00 31.29 31.41 2x6j h VAL 932 CO -0.22 0.41 -0.31 -0.04 0.02 0.00 0.00 177.57 177.42 2x6j s MET 933 N -4.36 4.20 0.34 1.57 -1.94 0.12 -4.68 119.30 114.55 2x6j s MET 933 Ca -0.06 0.07 0.17 0.00 -1.71 0.00 0.00 55.69 54.17 2x6j s MET 933 Cb 0.14 -3.48 0.48 0.00 2.01 0.00 0.00 34.83 33.98 2x6j s MET 933 CO 0.77 0.12 1.64 -1.00 -0.01 0.00 0.00 175.02 176.54 2x6j h PRO 934 N 7.04 0.00 -0.22 2.03 0.13 -1.83 -2.80 132.00 136.35 2x6j h PRO 934 Ca -0.39 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.58 2x6j h PRO 934 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2x6j h PRO 934 CO 0.73 0.44 -0.51 0.00 -0.23 0.00 0.00 178.00 178.43 2x6j h ALA 935 N 1.56 0.69 -0.02 -0.56 0.00 -1.93 -2.54 119.26 116.45 2x6j h ALA 935 Ca -0.00 -0.50 -0.16 0.00 0.00 0.00 0.00 54.91 54.25 2x6j h ALA 935 Cb 1.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2x6j h ALA 935 CO 0.06 0.68 -0.73 -0.07 0.00 0.00 0.00 179.25 179.19 2x6j h LEU 936 N 0.48 0.18 -0.75 0.00 3.38 -1.81 -2.37 115.31 114.42 2x6j h LEU 936 Ca 0.02 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 2x6j h LEU 936 Cb 1.06 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 2x6j h LEU 936 CO 0.10 0.84 -0.11 0.58 0.09 0.00 0.00 178.44 179.94 2x6j h VAL 937 N 0.10 1.26 -0.48 1.22 2.07 -1.50 -2.36 116.25 116.56 2x6j h VAL 937 Ca -0.02 -1.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 2x6j h VAL 937 Cb 1.29 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 2x6j h VAL 937 CO 0.11 0.41 0.23 -0.33 0.02 0.00 0.00 177.57 178.01 2x6j h GLU 938 N 0.75 0.69 -0.24 1.57 5.08 -1.25 0.27 114.58 121.45 2x6j h GLU 938 Ca 0.12 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2x6j h GLU 938 Cb 0.61 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 2x6j h GLU 938 CO 0.04 0.58 0.08 0.37 -1.00 0.00 0.00 179.01 179.08 2x6j h GLN 939 N 0.63 0.18 -1.00 2.33 4.15 -1.37 -0.48 115.11 119.56 2x6j h GLN 939 Ca 0.16 -0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.65 2x6j h GLN 939 Cb 0.12 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.70 2x6j h GLN 939 CO -0.02 0.12 0.64 0.82 -1.93 0.00 0.00 178.83 178.47 2x6j h ILE 940 N 0.19 1.04 -0.42 2.39 2.04 -0.93 -1.85 117.51 119.98 2x6j h ILE 940 Ca 0.11 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 2x6j h ILE 940 Cb 0.08 -0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 35.96 2x6j h ILE 940 CO -0.11 0.20 0.19 -0.74 0.00 0.00 0.00 178.15 177.70 2x6j h HIS 941 N 1.12 0.61 -0.34 1.37 2.76 0.33 -1.07 115.15 119.94 2x6j h HIS 941 Ca 0.45 -0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.53 2x6j h HIS 941 Cb 0.26 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.01 2x6j h HIS 941 CO -0.00 0.51 -0.03 0.00 -1.30 0.00 0.00 177.93 177.11 2x6j h ARG 942 N 0.53 0.54 -0.36 5.26 3.08 -0.61 -2.52 114.38 120.31 2x6j h ARG 942 Ca 0.14 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 2x6j h ARG 942 Cb 0.14 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2x6j h ARG 942 CO -0.02 0.59 0.01 0.74 -1.07 0.00 0.00 179.97 180.23 2x6j h PHE 943 N 0.52 0.69 -0.43 3.04 0.05 -0.50 -2.10 116.94 118.20 2x6j h PHE 943 Ca 0.11 -0.11 0.03 0.00 3.82 0.00 0.00 57.97 61.81 2x6j h PHE 943 Cb 0.38 -0.18 -0.02 0.00 2.00 0.00 0.00 35.95 38.13 2x6j h PHE 943 CO 0.01 0.72 0.29 1.15 -0.18 0.00 0.00 178.31 180.30 2x6j h THR 944 N 0.45 1.04 -0.05 -1.55 2.02 -1.05 -0.09 112.91 113.69 2x6j h THR 944 Ca 0.10 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 2x6j h THR 944 Cb 0.44 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 2x6j h THR 944 CO 0.02 0.09 -0.15 -0.61 0.37 0.00 0.00 175.52 175.24 2x6j h GLN 945 N 0.48 0.07 -0.30 6.66 5.75 -0.95 -3.24 115.11 123.58 2x6j h GLN 945 Ca 0.17 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.69 2x6j h GLN 945 Cb 0.10 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.61 2x6j h GLN 945 CO -0.04 0.22 0.11 -0.92 -2.65 0.00 0.00 178.83 175.55 2x6j h TYR 946 N 0.07 0.20 0.00 3.99 3.20 -0.71 -3.06 116.97 120.66 2x6j h TYR 946 Ca 0.01 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.73 2x6j h TYR 946 Cb 0.31 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 2x6j h TYR 946 CO 0.00 0.09 -0.81 -1.49 -1.64 0.00 0.00 178.16 174.32 2x6j h TRP 947 N 0.25 0.00 -4.10 -3.82 4.06 -1.69 -3.44 115.95 107.21 2x6j h TRP 947 Ca 0.13 0.00 -0.49 0.00 2.06 0.00 0.00 58.89 60.60 2x6j h TRP 947 Cb 0.10 0.00 0.06 0.00 -1.00 0.00 0.00 29.16 28.31 2x6j h TRP 947 CO -0.13 0.81 0.40 -0.98 -3.56 0.00 0.00 178.44 174.98 2x6j s ARG 948 N -3.10 3.49 0.00 0.49 1.04 -1.16 -5.20 118.95 114.52 2x6j s ARG 948 Ca 0.00 1.46 0.00 0.00 -1.04 0.00 0.00 55.73 56.15 2x6j s ARG 948 Cb 0.11 -2.04 0.00 0.00 -2.04 0.00 0.00 34.95 30.98 2x6j s ARG 948 CO 0.79 -0.71 0.00 1.17 -0.04 0.00 0.00 175.30 176.51