#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x6i h ILE 293 N 0.00 0.66 0.00 0.44 2.04 -2.06 -3.16 117.51 115.43 2x6i h ILE 293 Ca 0.00 -1.90 -0.00 0.00 1.00 0.00 0.00 64.86 63.95 2x6i h ILE 293 Cb 0.00 2.30 -0.00 0.00 -0.74 0.00 0.00 36.82 38.38 2x6i h ILE 293 CO 0.00 0.37 -0.02 0.08 0.00 0.00 0.00 178.15 178.59 2x6i h ARG 294 N 0.00 0.00 -0.44 2.37 0.11 -2.04 -3.07 114.38 111.31 2x6i h ARG 294 Ca -0.00 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.08 2x6i h ARG 294 Cb 1.27 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.33 2x6i h ARG 294 CO 0.05 0.02 0.29 0.22 0.10 0.00 0.00 179.97 180.64 2x6i h ASP 295 N 0.00 0.49 0.07 0.08 1.82 -1.98 0.30 116.42 117.20 2x6i h ASP 295 Ca -0.00 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2x6i h ASP 295 Cb 0.16 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.05 2x6i h ASP 295 CO 0.00 0.35 -0.03 -0.61 -1.61 0.00 0.00 179.24 177.34 2x6i h GLN 296 N 0.58 -0.09 -0.18 0.28 5.75 -1.75 -2.85 115.11 116.86 2x6i h GLN 296 Ca 0.17 0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.72 2x6i h GLN 296 Cb -0.05 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 2x6i h GLN 296 CO -0.05 0.45 0.13 -0.07 -2.65 0.00 0.00 178.83 176.64 2x6i h LEU 297 N -0.71 0.00 0.89 -2.39 3.38 -1.52 0.50 115.31 115.45 2x6i h LEU 297 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2x6i h LEU 297 Cb 0.58 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.34 2x6i h LEU 297 CO 0.02 0.00 -0.43 0.45 0.09 0.00 0.00 178.44 178.57 2x6i h HIS 298 N 0.00 -1.10 -0.04 1.13 3.86 -0.45 -3.27 115.15 115.28 2x6i h HIS 298 Ca 0.08 -0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.28 2x6i h HIS 298 Cb 0.34 0.36 -0.00 0.00 1.06 0.00 0.00 27.41 29.18 2x6i h HIS 298 CO 0.00 -0.69 0.11 1.79 0.86 0.00 0.00 177.93 180.00 2x6i h THR 299 N -1.24 0.20 -0.10 2.45 1.35 -0.68 0.44 112.91 115.33 2x6i h THR 299 Ca -0.12 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.62 2x6i h THR 299 Cb 0.91 0.90 -0.01 0.00 -1.73 0.00 0.00 68.15 68.22 2x6i h THR 299 CO 0.20 0.00 -0.47 0.16 -0.25 0.00 0.00 175.52 175.16 2x6i h ILE 300 N 0.00 1.33 0.00 6.82 3.07 -1.36 -0.22 117.51 127.16 2x6i h ILE 300 Ca 0.02 -1.67 0.00 0.00 1.55 0.00 0.00 64.86 64.76 2x6i h ILE 300 Cb 0.23 1.77 0.00 0.00 -0.27 0.00 0.00 36.82 38.56 2x6i h ILE 300 CO -0.00 0.50 -0.35 0.52 -1.05 0.00 0.00 178.15 177.76 2x6i n VAL 301 N -3.98 0.34 -0.04 0.16 0.31 0.13 -2.24 118.33 113.01 2x6i n VAL 301 Ca -0.02 -0.21 -0.02 0.00 -0.01 0.00 0.00 64.34 64.08 2x6i n VAL 301 Cb 0.52 -0.26 -0.01 0.00 -0.91 0.00 0.00 33.84 33.19 2x6i n VAL 301 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 2x6i h TYR 302 N 0.00 0.00 -0.01 3.52 0.99 -1.34 -3.42 116.97 116.71 2x6i h TYR 302 Ca 0.00 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.55 2x6i h TYR 302 Cb 0.68 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.40 2x6i h TYR 302 CO 0.00 0.00 -0.80 0.00 -0.00 0.00 0.00 178.16 177.36 2x6i h ARG 303 N -0.58 0.15 0.00 4.88 3.08 -1.19 -3.44 114.38 117.28 2x6i h ARG 303 Ca 0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2x6i h ARG 303 Cb 0.21 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.30 2x6i h ARG 303 CO 0.00 0.87 0.00 0.66 -1.07 0.00 0.00 179.97 180.43 2x6i n TYR 304 N -3.69 0.00 -0.89 3.04 4.01 -0.95 -4.98 117.16 113.71 2x6i n TYR 304 Ca -0.03 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.38 2x6i n TYR 304 Cb 0.76 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.76 2x6i n TYR 304 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2x6i n PRO 305 N -0.24 0.00 -0.06 -0.72 -0.02 -1.24 -4.93 135.00 127.79 2x6i n PRO 305 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.41 2x6i n PRO 305 Cb 0.00 -0.77 -0.08 0.00 -0.02 0.00 0.00 33.50 32.63 2x6i n PRO 305 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2x6i n PRO 306 N 0.77 1.56 -3.15 0.52 -0.04 -1.26 -4.92 135.00 128.47 2x6i n PRO 306 Ca 0.12 0.02 0.04 0.00 -0.04 0.00 0.00 63.50 63.64 2x6i n PRO 306 Cb 0.10 -1.29 -0.00 0.00 -0.04 0.00 0.00 33.50 32.26 2x6i n PRO 306 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2x6i s THR 307 N -2.28 -0.89 -0.03 0.52 -4.23 -1.26 -5.00 115.64 102.47 2x6i s THR 307 Ca -0.10 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.43 2x6i s THR 307 Cb 0.04 -0.93 0.01 0.00 1.34 0.00 0.00 72.50 72.95 2x6i s THR 307 CO 0.43 0.00 -0.08 -0.31 -0.54 0.00 0.00 174.62 174.12 2x6i s TYR 308 N 2.86 0.89 0.10 3.99 4.12 -1.26 -4.97 117.35 123.08 2x6i s TYR 308 Ca 0.14 -0.22 -0.15 0.00 0.02 0.00 0.00 57.07 56.87 2x6i s TYR 308 Cb -0.11 -0.65 -0.08 0.00 -1.52 0.00 0.00 41.96 39.60 2x6i s TYR 308 CO -0.23 -0.11 1.43 0.28 0.02 0.00 0.00 175.55 176.94 2x6i h VAL 309 N 5.47 1.30 0.00 0.71 2.07 -2.03 -3.49 116.25 120.28 2x6i h VAL 309 Ca -0.33 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 65.75 2x6i h VAL 309 Cb 1.17 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 2x6i h VAL 309 CO 0.49 0.46 0.00 -0.11 0.02 0.00 0.00 177.57 178.43 2x6i n LEU 310 N -4.26 0.00 -3.19 2.57 0.00 -1.26 -3.89 117.00 106.97 2x6i n LEU 310 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 55.86 2x6i n LEU 310 Cb 0.47 0.00 0.01 0.00 0.00 0.00 0.00 43.42 43.89 2x6i n LEU 310 CO 0.45 0.00 0.07 -1.54 0.00 0.00 0.00 177.39 176.37 2x6i n SER 311 N 0.00 -7.03 -0.05 1.96 3.41 -1.26 -4.67 113.62 105.98 2x6i n SER 311 Ca 0.00 -0.06 -0.08 0.00 -0.26 0.00 0.00 58.87 58.47 2x6i n SER 311 Cb 0.00 -4.21 0.08 0.00 -0.26 0.00 0.00 64.21 59.82 2x6i n SER 311 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2x6i h SER 312 N 1.01 0.73 0.49 4.04 0.87 -1.99 0.46 113.55 119.16 2x6i h SER 312 Ca -0.19 -0.31 -0.08 0.00 -1.23 0.00 0.00 61.79 59.99 2x6i h SER 312 Cb 1.13 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 2x6i h SER 312 CO 0.27 1.01 -0.36 1.05 -0.53 0.00 0.00 176.83 178.27 2x6i h GLU 313 N 0.59 0.00 0.00 2.24 9.09 -1.94 -3.16 114.58 121.40 2x6i h GLU 313 Ca 0.06 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.47 2x6i h GLU 313 Cb 0.86 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.96 2x6i h GLU 313 CO 0.07 0.36 -0.48 0.39 0.05 0.00 0.00 179.01 179.40 2x6i n GLU 314 N -3.88 0.04 -0.28 1.06 -0.58 -0.63 -3.78 120.64 112.58 2x6i n GLU 314 Ca -0.01 0.01 0.01 0.00 -0.42 0.00 0.00 57.16 56.74 2x6i n GLU 314 Cb 0.42 -1.52 0.14 0.00 -0.57 0.00 0.00 31.44 29.91 2x6i n GLU 314 CO 0.00 0.00 0.00 -0.56 -0.48 0.00 0.00 177.13 176.09 2x6i h GLN 315 N 0.00 0.82 -0.12 3.49 3.07 -0.09 -2.71 115.11 119.57 2x6i h GLN 315 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.69 2x6i h GLN 315 Cb 0.53 -0.18 0.00 0.00 0.08 0.00 0.00 27.48 27.91 2x6i h GLN 315 CO 0.00 0.54 0.00 -0.40 0.09 0.00 0.00 178.83 179.06 2x6i n ASP 316 N -4.70 2.81 -0.03 0.06 5.75 -1.25 -4.22 116.55 114.98 2x6i n ASP 316 Ca 0.12 -1.91 -0.10 0.00 -0.01 0.00 0.00 54.79 52.89 2x6i n ASP 316 Cb 0.21 -0.06 -0.14 0.00 -1.03 0.00 0.00 41.12 40.09 2x6i n ASP 316 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2x6i n LEU 317 N 1.15 0.89 0.33 -2.12 -0.00 -1.04 -3.73 117.00 112.49 2x6i n LEU 317 Ca 0.16 0.34 0.20 0.00 -0.00 0.00 0.00 56.01 56.71 2x6i n LEU 317 Cb 0.55 0.12 1.08 0.00 -0.00 0.00 0.00 43.42 45.17 2x6i n LEU 317 CO 0.15 0.44 1.16 1.62 -0.00 0.00 0.00 177.39 180.76 2x6i h VAL 318 N 0.00 0.00 -0.92 1.47 3.04 -1.69 -3.22 116.25 114.93 2x6i h VAL 318 Ca -0.33 0.00 0.13 0.00 -1.01 0.00 0.00 66.70 65.49 2x6i h VAL 318 Cb 2.05 0.88 -0.07 0.00 -2.01 0.00 0.00 31.29 32.13 2x6i h VAL 318 CO 0.07 0.00 0.59 -0.25 -1.01 0.00 0.00 177.57 176.97 2x6i h TRP 319 N 0.00 0.93 -0.37 3.17 7.01 -1.78 -1.19 115.95 123.71 2x6i h TRP 319 Ca 0.00 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 60.99 2x6i h TRP 319 Cb 0.21 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 26.96 2x6i h TRP 319 CO 0.00 0.36 0.09 1.57 -2.79 0.00 0.00 178.44 177.66 2x6i h LYS 320 N 0.80 0.60 -0.56 2.65 2.10 -1.81 -2.66 116.57 117.68 2x6i h LYS 320 Ca 0.46 -0.15 0.00 0.00 -2.00 0.00 0.00 60.65 58.96 2x6i h LYS 320 Cb 0.62 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 2x6i h LYS 320 CO -0.22 0.64 0.00 0.34 -2.00 0.00 0.00 179.45 178.21 2x6i n PHE 321 N -4.59 0.79 0.01 0.07 -0.00 -1.04 -4.30 117.46 108.41 2x6i n PHE 321 Ca -0.01 -0.38 -0.22 0.00 -0.00 0.00 0.00 57.45 56.84 2x6i n PHE 321 Cb 0.20 -0.03 -0.14 0.00 -0.00 0.00 0.00 39.48 39.52 2x6i n PHE 321 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 2x6i h ARG 322 N 3.20 0.27 -0.99 -4.13 2.43 -0.85 -2.96 114.38 111.35 2x6i h ARG 322 Ca 0.00 -0.45 0.15 0.00 -0.81 0.00 0.00 59.98 58.87 2x6i h ARG 322 Cb 0.79 0.17 -0.09 0.00 -0.42 0.00 0.00 29.97 30.42 2x6i h ARG 322 CO 0.02 1.22 0.62 0.74 -1.51 0.00 0.00 179.97 181.06 2x6i h PHE 323 N -0.16 1.05 0.26 2.20 0.04 -1.75 -2.69 116.94 115.90 2x6i h PHE 323 Ca -0.35 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.43 2x6i h PHE 323 Cb 1.88 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 39.71 2x6i h PHE 323 CO 0.10 0.34 -0.13 1.88 -0.60 0.00 0.00 178.31 179.91 2x6i h TYR 324 N 0.85 -0.33 -0.15 -0.55 0.99 -1.83 -3.30 116.97 112.66 2x6i h TYR 324 Ca 0.52 -0.01 -0.08 0.00 2.00 0.00 0.00 58.73 61.16 2x6i h TYR 324 Cb 0.70 0.11 -0.05 0.00 1.00 0.00 0.00 36.73 38.49 2x6i h TYR 324 CO -0.00 -0.15 0.11 1.28 -0.00 0.00 0.00 178.16 179.40 2x6i n LEU 325 N -5.01 4.06 0.00 3.88 7.99 -1.12 -3.61 117.00 123.19 2x6i n LEU 325 Ca -0.05 -2.02 0.09 0.00 -0.01 0.00 0.00 56.01 54.02 2x6i n LEU 325 Cb 0.17 -0.68 0.49 0.00 -0.11 0.00 0.00 43.42 43.29 2x6i n LEU 325 CO 0.13 0.70 0.74 -1.54 -1.51 0.00 0.00 177.39 175.92 2x6i n SER 326 N 0.47 0.00 0.31 -1.43 3.41 -1.02 -3.82 113.62 111.54 2x6i n SER 326 Ca 0.09 -0.29 0.19 0.00 -0.26 0.00 0.00 58.87 58.59 2x6i n SER 326 Cb 0.64 -0.13 1.05 0.00 -0.26 0.00 0.00 64.21 65.51 2x6i n SER 326 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2x6i h SER 327 N 0.00 0.00 -3.95 4.04 4.64 -1.87 -3.31 113.55 113.10 2x6i h SER 327 Ca 0.00 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.64 2x6i h SER 327 Cb 0.07 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 61.95 2x6i h SER 327 CO 0.00 0.01 -0.80 -1.00 -0.87 0.00 0.00 176.83 174.17 2x6i s HIS 328 N -4.37 2.59 0.09 4.77 3.76 -1.25 -4.76 115.29 116.12 2x6i s HIS 328 Ca -0.05 -0.24 -0.32 0.00 -0.15 0.00 0.00 55.06 54.30 2x6i s HIS 328 Cb 0.14 -1.48 -0.15 0.00 1.11 0.00 0.00 32.58 32.20 2x6i s HIS 328 CO 0.49 0.26 1.51 0.87 -0.85 0.00 0.00 174.74 177.01 2x6i h LYS 329 N 4.57 -0.78 -0.88 1.40 1.57 -1.83 -2.98 116.57 117.64 2x6i h LYS 329 Ca -0.48 0.05 0.14 0.00 -1.87 0.00 0.00 60.65 58.50 2x6i h LYS 329 Cb 1.16 0.18 -0.07 0.00 0.08 0.00 0.00 32.23 33.58 2x6i h LYS 329 CO 0.48 -0.52 0.57 -0.22 -0.57 0.00 0.00 179.45 179.19 2x6i h LYS 330 N -0.81 0.66 -0.93 3.15 1.63 -1.90 -2.43 116.57 115.94 2x6i h LYS 330 Ca -0.03 -0.04 0.37 0.00 -0.85 0.00 0.00 60.65 60.09 2x6i h LYS 330 Cb 0.75 -0.15 -0.17 0.00 -0.60 0.00 0.00 32.23 32.07 2x6i h LYS 330 CO -0.16 0.44 0.41 0.00 -3.45 0.00 0.00 179.45 176.69 2x6i n ALA 331 N -2.44 0.87 -0.22 5.00 0.00 -1.12 -1.93 120.51 120.67 2x6i n ALA 331 Ca 0.17 0.96 -0.01 0.00 0.00 0.00 0.00 53.44 54.55 2x6i n ALA 331 Cb 0.46 -0.91 0.10 0.00 0.00 0.00 0.00 19.45 19.10 2x6i n ALA 331 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2x6i h LEU 332 N 0.00 0.46 -0.75 0.00 5.85 -1.61 -1.09 115.31 118.16 2x6i h LEU 332 Ca 0.75 0.04 0.06 0.00 0.84 0.00 0.00 57.88 59.56 2x6i h LEU 332 Cb 1.92 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.85 2x6i h LEU 332 CO -0.74 0.29 0.45 0.74 -0.34 0.00 0.00 178.44 178.84 2x6i h THR 333 N 0.60 1.02 -0.17 1.05 2.02 -1.62 -1.95 112.91 113.86 2x6i h THR 333 Ca 0.29 -0.28 -0.08 0.00 0.77 0.00 0.00 66.41 67.11 2x6i h THR 333 Cb 0.23 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.75 2x6i h THR 333 CO -0.21 0.15 -0.21 0.11 0.37 0.00 0.00 175.52 175.74 2x6i h LYS 334 N 0.83 0.44 -0.92 6.66 1.79 -1.57 -3.25 116.57 120.55 2x6i h LYS 334 Ca 0.33 -0.25 0.19 0.00 -2.18 0.00 0.00 60.65 58.74 2x6i h LYS 334 Cb 0.16 0.02 -0.18 0.00 -1.58 0.00 0.00 32.23 30.65 2x6i h LYS 334 CO -0.17 0.83 -0.22 0.35 -1.08 0.00 0.00 179.45 179.16 2x6i h PHE 335 N 0.08 -0.47 0.00 -1.35 3.57 -0.45 -0.22 116.94 118.10 2x6i h PHE 335 Ca 0.02 0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 2x6i h PHE 335 Cb 0.76 0.35 -0.00 0.00 2.79 0.00 0.00 35.95 39.85 2x6i h PHE 335 CO 0.09 -0.40 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.54 2x6i h LEU 336 N 0.00 0.00 -0.90 0.59 4.07 -1.49 -3.26 115.31 114.32 2x6i h LEU 336 Ca 0.45 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.41 2x6i h LEU 336 Cb 0.69 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.43 2x6i h LEU 336 CO -0.95 0.16 0.00 0.29 -1.08 0.00 0.00 178.44 176.86 2x6i n LYS 337 N -3.50 0.15 -0.04 1.13 5.02 -0.09 -3.74 118.16 117.09 2x6i n LYS 337 Ca -0.01 0.50 -0.07 0.00 -2.02 0.00 0.00 58.31 56.71 2x6i n LYS 337 Cb 0.32 -1.87 -0.04 0.00 -0.02 0.00 0.00 35.03 33.42 2x6i n LYS 337 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2x6i h ILE 339 N -0.05 1.29 0.00 0.00 -0.00 -1.73 -2.86 117.51 114.16 2x6i h ILE 339 Ca -0.20 -1.49 -0.03 0.00 -0.00 0.00 0.00 64.86 63.15 2x6i h ILE 339 Cb 1.28 1.44 -0.00 0.00 -0.00 0.00 0.00 36.82 39.53 2x6i h ILE 339 CO -0.05 0.48 -0.12 0.78 -0.00 0.00 0.00 178.15 179.24 2x6i h ASN 340 N 0.54 0.00 -0.52 2.16 -0.26 -1.89 -3.06 115.58 112.56 2x6i h ASN 340 Ca 0.06 0.00 0.15 0.00 -0.56 0.00 0.00 56.30 55.95 2x6i h ASN 340 Cb 0.85 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.09 2x6i h ASN 340 CO 0.07 0.12 0.53 -0.25 -1.06 0.00 0.00 177.43 176.85 2x6i h TRP 341 N 0.00 0.00 -1.95 1.19 7.01 -1.82 -3.41 115.95 116.98 2x6i h TRP 341 Ca -0.00 0.00 -0.51 0.00 2.11 0.00 0.00 58.89 60.49 2x6i h TRP 341 Cb 0.49 0.00 -0.05 0.00 -2.10 0.00 0.00 29.16 27.49 2x6i h TRP 341 CO 0.00 0.00 -0.49 0.21 -2.79 0.00 0.00 178.44 175.37 2x6i s LYS 342 N -4.64 2.68 0.00 2.65 2.47 -1.16 -5.12 119.74 116.63 2x6i s LYS 342 Ca -0.04 -1.30 0.00 0.00 -1.56 0.00 0.00 55.97 53.07 2x6i s LYS 342 Cb 0.16 -2.42 0.00 0.00 -1.46 0.00 0.00 37.83 34.11 2x6i s LYS 342 CO 0.56 0.18 0.00 1.47 0.16 0.00 0.00 175.35 177.72 2x6i n LEU 343 N -1.26 0.00 -0.02 5.43 -0.00 -1.26 -4.78 117.00 115.10 2x6i n LEU 343 Ca -0.04 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.01 2x6i n LEU 343 Cb 0.60 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.88 2x6i n LEU 343 CO 0.43 0.00 -0.74 -0.62 -0.00 0.00 0.00 177.39 176.45 2x6i n GLU 344 N 0.00 0.66 -0.13 1.47 -0.58 -1.26 -4.72 120.64 116.08 2x6i n GLU 344 Ca 0.00 -0.05 -0.24 0.00 -0.42 0.00 0.00 57.16 56.45 2x6i n GLU 344 Cb 0.00 -1.59 -0.10 0.00 -0.57 0.00 0.00 31.44 29.18 2x6i n GLU 344 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2x6i n ASP 345 N -2.53 1.95 -0.32 1.62 2.03 -1.26 -4.29 116.55 113.74 2x6i n ASP 345 Ca -0.13 0.14 0.21 0.00 0.52 0.00 0.00 54.79 55.53 2x6i n ASP 345 Cb 0.78 -0.63 0.48 0.00 -0.72 0.00 0.00 41.12 41.04 2x6i n ASP 345 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2x6i h GLU 346 N -0.58 0.43 -0.41 -0.67 4.39 -1.86 -2.83 114.58 113.05 2x6i h GLU 346 Ca -0.63 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.10 2x6i h GLU 346 Cb 1.70 -0.10 -0.08 0.00 -0.10 0.00 0.00 28.75 30.17 2x6i h GLU 346 CO -0.28 0.28 -0.52 0.28 -1.16 0.00 0.00 179.01 177.61 2x6i h VAL 347 N 0.44 0.03 -0.08 3.13 2.07 -1.85 -0.16 116.25 119.83 2x6i h VAL 347 Ca 0.58 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 68.06 2x6i h VAL 347 Cb 1.40 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2x6i h VAL 347 CO -0.30 0.00 -0.15 0.71 0.02 0.00 0.00 177.57 177.85 2x6i h THR 348 N -0.38 1.15 0.15 2.57 1.35 -1.73 -3.09 112.91 112.94 2x6i h THR 348 Ca 0.09 -0.70 -0.30 0.00 -0.55 0.00 0.00 66.41 64.96 2x6i h THR 348 Cb 0.60 1.26 0.01 0.00 -1.73 0.00 0.00 68.15 68.28 2x6i h THR 348 CO -0.59 0.21 -1.37 -0.61 -0.25 0.00 0.00 175.52 172.90 2x6i h GLN 349 N 0.12 0.32 -0.17 4.72 4.15 -1.43 -3.33 115.11 119.49 2x6i h GLN 349 Ca 0.02 -0.55 -0.13 0.00 0.77 0.00 0.00 58.65 58.76 2x6i h GLN 349 Cb 0.34 0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 2x6i h GLN 349 CO 0.02 1.24 -0.46 0.00 -1.93 0.00 0.00 178.83 177.70 2x6i h ALA 350 N 0.47 0.89 -0.48 3.38 0.00 -0.97 -2.48 119.26 120.06 2x6i h ALA 350 Ca -0.19 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.19 2x6i h ALA 350 Cb 2.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 2x6i h ALA 350 CO 0.21 0.65 0.01 -0.07 0.00 0.00 0.00 179.25 180.05 2x6i h LEU 351 N 0.35 0.82 -1.00 0.00 -0.00 -1.69 0.76 115.31 114.55 2x6i h LEU 351 Ca 0.02 -0.30 0.11 0.00 -0.00 0.00 0.00 57.88 57.71 2x6i h LEU 351 Cb 0.94 -0.22 -0.08 0.00 -0.00 0.00 0.00 40.66 41.30 2x6i h LEU 351 CO 0.08 0.92 0.64 -0.25 -0.00 0.00 0.00 178.44 179.83 2x6i h TRP 352 N 0.70 1.16 -0.67 1.13 7.01 -1.64 1.71 115.95 125.35 2x6i h TRP 352 Ca 0.14 0.03 -0.07 0.00 2.11 0.00 0.00 58.89 61.10 2x6i h TRP 352 Cb 0.50 -0.37 -0.03 0.00 -2.10 0.00 0.00 29.16 27.15 2x6i h TRP 352 CO 0.04 0.50 0.16 0.52 -2.79 0.00 0.00 178.44 176.86 2x6i h MET 353 N 1.05 1.07 -0.15 2.65 2.86 -0.93 -2.78 114.93 118.69 2x6i h MET 353 Ca 0.48 -0.25 -0.18 0.00 -2.06 0.00 0.00 59.70 57.69 2x6i h MET 353 Cb 0.40 -0.14 0.01 0.00 0.06 0.00 0.00 31.60 31.92 2x6i h MET 353 CO -0.24 0.95 -0.59 1.25 1.06 0.00 0.00 176.91 179.33 2x6i h LEU 354 N 1.01 0.78 -0.92 1.22 6.46 0.51 -1.51 115.31 122.87 2x6i h LEU 354 Ca 0.21 -0.62 -0.10 0.00 -0.12 0.00 0.00 57.88 57.25 2x6i h LEU 354 Cb 0.36 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 2x6i h LEU 354 CO 0.00 1.27 -0.34 0.00 -0.62 0.00 0.00 178.44 178.75 2x6i h ALA 355 N 0.53 1.08 0.00 1.25 0.00 0.22 -2.46 119.26 119.89 2x6i h ALA 355 Ca -0.03 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.36 2x6i h ALA 355 Cb 1.22 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2x6i h ALA 355 CO 0.12 0.58 -0.66 -0.97 0.00 0.00 0.00 179.25 178.32 2x6i h ASN 356 N 0.33 0.00 -3.18 0.00 -1.24 -1.48 -3.48 115.58 106.53 2x6i h ASN 356 Ca 0.04 0.00 -0.57 0.00 0.71 0.00 0.00 56.30 56.48 2x6i h ASN 356 Cb 0.76 0.00 0.11 0.00 0.73 0.00 0.00 38.32 39.91 2x6i h ASN 356 CO 0.06 0.66 0.51 1.87 -1.29 0.00 0.00 177.43 179.24 2x6i n TRP 357 N -3.43 2.22 -1.58 0.67 -0.00 -0.57 -4.86 117.44 109.88 2x6i n TRP 357 Ca 0.00 0.54 -0.58 0.00 -0.00 0.00 0.00 57.50 57.46 2x6i n TRP 357 Cb 0.74 -2.42 -0.08 0.00 -0.00 0.00 0.00 31.31 29.55 2x6i n TRP 357 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2x6i n ALA 358 N 0.58 -2.18 -0.78 5.87 0.00 -1.25 -4.82 120.51 117.94 2x6i n ALA 358 Ca 0.06 0.54 -0.29 0.00 0.00 0.00 0.00 53.44 53.75 2x6i n ALA 358 Cb 0.35 -1.93 0.22 0.00 0.00 0.00 0.00 19.45 18.09 2x6i n ALA 358 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2x6i s PRO 359 N 0.89 -0.30 0.06 0.00 0.04 -1.26 -4.50 135.00 129.93 2x6i s PRO 359 Ca 0.92 0.78 -0.16 0.00 0.04 0.00 0.00 61.00 62.57 2x6i s PRO 359 Cb -1.18 -1.63 -0.06 0.00 0.04 0.00 0.00 34.50 31.66 2x6i s PRO 359 CO 0.58 -3.29 0.50 -1.64 0.04 0.00 0.00 177.00 173.18 2x6i s MET 360 N -4.65 4.04 0.61 4.56 -1.94 -1.26 -4.67 119.30 115.99 2x6i s MET 360 Ca 0.67 0.55 -0.16 0.00 -1.71 0.00 0.00 55.69 55.04 2x6i s MET 360 Cb -0.22 -3.17 -0.02 0.00 2.01 0.00 0.00 34.83 33.42 2x6i s MET 360 CO 0.62 0.63 1.09 -0.51 -0.01 0.00 0.00 175.02 176.84 2x6i s ASP 361 N -1.22 5.50 0.49 3.03 1.11 -1.26 -4.95 116.67 119.37 2x6i s ASP 361 Ca 0.29 1.94 0.24 0.00 0.18 0.00 0.00 52.55 55.20 2x6i s ASP 361 Cb -0.17 -2.55 1.29 0.00 1.07 0.00 0.00 42.92 42.56 2x6i s ASP 361 CO 0.17 -1.36 2.02 0.58 1.18 0.00 0.00 175.17 177.76 2x6i h VAL 362 N 0.39 0.70 -0.18 -1.27 2.07 -1.98 -3.24 116.25 112.74 2x6i h VAL 362 Ca -0.47 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.34 2x6i h VAL 362 Cb 1.24 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 32.41 2x6i h VAL 362 CO 0.56 0.15 -0.10 -0.33 0.02 0.00 0.00 177.57 177.87 2x6i h GLU 363 N 0.00 0.39 -0.90 1.57 3.07 -2.00 -1.04 114.58 115.67 2x6i h GLU 363 Ca -0.00 -0.18 0.21 0.00 -0.50 0.00 0.00 59.36 58.90 2x6i h GLU 363 Cb 0.39 -0.01 -0.17 0.00 -0.84 0.00 0.00 28.75 28.13 2x6i h GLU 363 CO 0.02 0.70 -0.06 0.38 -1.40 0.00 0.00 179.01 178.65 2x6i h ASP 364 N 0.07 -0.56 -0.71 1.42 3.04 -1.97 -1.17 116.42 116.54 2x6i h ASP 364 Ca 0.04 0.25 0.07 0.00 -3.24 0.00 0.00 57.03 54.15 2x6i h ASP 364 Cb 0.59 0.47 -0.04 0.00 -1.04 0.00 0.00 39.33 39.31 2x6i h ASP 364 CO 0.03 -0.29 0.47 0.00 -2.04 0.00 0.00 179.24 177.41 2x6i h ALA 365 N 1.88 1.74 -0.74 4.15 0.00 -1.31 0.25 119.26 125.23 2x6i h ALA 365 Ca 0.50 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.43 2x6i h ALA 365 Cb 0.91 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 2x6i h ALA 365 CO -0.85 0.14 0.46 -0.07 0.00 0.00 0.00 179.25 178.92 2x6i h LEU 366 N 0.71 0.73 -1.29 0.00 -0.00 -1.08 -1.42 115.31 112.96 2x6i h LEU 366 Ca 0.31 0.01 0.11 0.00 -0.00 0.00 0.00 57.88 58.31 2x6i h LEU 366 Cb 0.30 -0.14 -0.06 0.00 -0.00 0.00 0.00 40.66 40.76 2x6i h LEU 366 CO -0.10 0.49 0.55 -0.33 -0.00 0.00 0.00 178.44 179.05 2x6i h GLU 367 N 0.87 0.74 0.00 1.13 4.39 -0.48 -2.95 114.58 118.27 2x6i h GLU 367 Ca 0.31 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.95 2x6i h GLU 367 Cb 0.09 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 2x6i h GLU 367 CO -0.14 0.49 -0.42 -0.07 -1.16 0.00 0.00 179.01 177.71 2x6i h LEU 368 N 0.76 0.00 -0.60 1.33 3.38 -1.01 -3.01 115.31 116.17 2x6i h LEU 368 Ca 0.40 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.33 2x6i h LEU 368 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2x6i h LEU 368 CO -0.17 0.08 -0.19 -0.07 0.09 0.00 0.00 178.44 178.18 2x6i h LEU 369 N 0.00 0.00-10.28 1.67 3.38 -1.25 -3.43 115.31 105.40 2x6i h LEU 369 Ca -0.01 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.49 2x6i h LEU 369 Cb 1.07 0.00 0.17 0.00 0.09 0.00 0.00 40.66 41.99 2x6i h LEU 369 CO 0.01 0.19 0.17 -0.94 0.09 0.00 0.00 178.44 177.97 2x6i s SER 370 N -6.18 2.56 0.00 -0.43 1.04 -1.14 -4.90 113.70 104.65 2x6i s SER 370 Ca 0.03 1.53 0.25 0.00 0.48 0.00 0.00 55.95 58.24 2x6i s SER 370 Cb 0.08 -2.20 1.38 0.00 0.10 0.00 0.00 66.02 65.38 2x6i s SER 370 CO 0.66 -3.22 1.85 -0.81 0.98 0.00 0.00 173.24 172.70 2x6i n PRO 371 N -4.27 0.56 -0.03 4.02 -0.04 -1.26 -3.01 135.00 130.97 2x6i n PRO 371 Ca 0.06 0.03 -0.11 0.00 -0.04 0.00 0.00 63.50 63.45 2x6i n PRO 371 Cb 0.55 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.42 2x6i n PRO 371 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2x6i h THR 372 N 0.00 1.20 -3.25 0.52 1.35 -1.90 -3.42 112.91 107.41 2x6i h THR 372 Ca 0.00 -1.70 -0.55 0.00 -0.55 0.00 0.00 66.41 63.61 2x6i h THR 372 Cb 0.12 2.18 -0.07 0.00 -1.73 0.00 0.00 68.15 68.65 2x6i h THR 372 CO 0.00 0.37 0.98 -0.36 -0.25 0.00 0.00 175.52 176.26 2x6i s PHE 373 N -2.56 2.62 -0.25 4.73 2.99 -1.16 -4.92 117.98 119.43 2x6i s PHE 373 Ca -0.14 0.45 0.22 0.00 0.00 0.00 0.00 56.93 57.46 2x6i s PHE 373 Cb -0.01 -4.51 0.03 0.00 0.00 0.00 0.00 43.02 38.54 2x6i s PHE 373 CO 0.51 -1.57 1.11 1.79 -0.00 0.00 0.00 175.22 177.06 2x6i h THR 374 N 6.18 0.10 -3.04 0.64 1.35 -1.85 -3.45 112.91 112.83 2x6i h THR 374 Ca -0.25 -1.18 -0.53 0.00 -0.55 0.00 0.00 66.41 63.91 2x6i h THR 374 Cb 1.06 1.68 0.03 0.00 -1.73 0.00 0.00 68.15 69.19 2x6i h THR 374 CO 1.18 0.06 0.75 -2.28 -0.25 0.00 0.00 175.52 174.98 2x6i s HIS 375 N -3.27 3.19 0.36 4.73 5.04 -1.26 -4.95 115.29 119.13 2x6i s HIS 375 Ca 0.00 0.92 0.30 0.00 -1.54 0.00 0.00 55.06 54.75 2x6i s HIS 375 Cb 0.09 -3.74 1.50 0.00 0.04 0.00 0.00 32.58 30.47 2x6i s HIS 375 CO 0.77 -2.57 2.07 -1.00 -2.34 0.00 0.00 174.74 171.67 2x6i h PRO 376 N 6.48 0.00 0.09 2.88 0.13 -1.99 -2.76 132.00 136.82 2x6i h PRO 376 Ca -0.43 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.55 2x6i h PRO 376 Cb 1.21 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.36 2x6i h PRO 376 CO 0.86 0.10 -0.65 0.37 -0.23 0.00 0.00 178.00 178.45 2x6i h GLN 377 N 0.00 0.29 -0.19 0.86 5.75 -1.98 -2.13 115.11 117.70 2x6i h GLN 377 Ca -0.00 -0.42 -0.04 0.00 -0.15 0.00 0.00 58.65 58.03 2x6i h GLN 377 Cb 0.37 0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.06 2x6i h GLN 377 CO 0.01 1.16 -0.07 -0.39 -2.65 0.00 0.00 178.83 176.90 2x6i h VAL 378 N -0.38 1.17 -0.18 2.39 -1.51 -1.95 0.82 116.25 116.61 2x6i h VAL 378 Ca -0.11 -0.69 -0.21 0.00 -1.23 0.00 0.00 66.70 64.46 2x6i h VAL 378 Cb 1.46 1.10 0.01 0.00 -2.13 0.00 0.00 31.29 31.73 2x6i h VAL 378 CO 0.12 0.22 -0.71 0.03 -1.23 0.00 0.00 177.57 176.01 2x6i h ARG 379 N 0.29 0.80 -0.24 5.19 3.08 -1.56 0.13 114.38 122.06 2x6i h ARG 379 Ca 0.06 -0.62 0.05 0.00 0.07 0.00 0.00 59.98 59.54 2x6i h ARG 379 Cb 0.31 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 2x6i h ARG 379 CO 0.01 1.23 -0.05 -0.22 -1.07 0.00 0.00 179.97 179.88 2x6i h LYS 380 N 0.54 0.01 -0.40 0.04 3.11 -0.68 -1.96 116.57 117.24 2x6i h LYS 380 Ca -0.04 -0.00 0.06 0.00 -2.81 0.00 0.00 60.65 57.86 2x6i h LYS 380 Cb 1.34 -0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 32.51 2x6i h LYS 380 CO 0.15 0.01 0.09 -0.92 -2.81 0.00 0.00 179.45 175.96 2x6i h TYR 381 N 0.01 0.15 -0.88 1.91 3.20 1.00 -0.98 116.97 121.38 2x6i h TYR 381 Ca 0.12 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.03 2x6i h TYR 381 Cb 0.17 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.39 2x6i h TYR 381 CO -0.24 0.02 0.58 0.00 -1.64 0.00 0.00 178.16 176.89 2x6i h ALA 382 N 1.29 1.42 -0.42 1.82 0.00 -0.47 -1.35 119.26 121.56 2x6i h ALA 382 Ca 0.19 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 2x6i h ALA 382 Cb 0.22 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2x6i h ALA 382 CO -0.24 0.51 -0.23 0.28 0.00 0.00 0.00 179.25 179.57 2x6i h VAL 383 N 1.13 1.27 0.00 0.00 2.07 -0.45 -1.51 116.25 118.76 2x6i h VAL 383 Ca 0.34 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 2x6i h VAL 383 Cb -0.04 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2x6i h VAL 383 CO -0.09 0.46 -0.09 0.77 0.02 0.00 0.00 177.57 178.64 2x6i h SER 384 N 0.73 0.00 0.03 0.57 4.64 -0.14 -0.70 113.55 118.68 2x6i h SER 384 Ca 0.10 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2x6i h SER 384 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 2x6i h SER 384 CO 0.06 0.09 -0.02 0.03 -0.87 0.00 0.00 176.83 176.12 2x6i h ARG 385 N 0.00 -0.04 -0.89 4.77 2.47 -0.86 -3.21 114.38 116.62 2x6i h ARG 385 Ca -0.00 0.00 0.18 0.00 -1.26 0.00 0.00 59.98 58.90 2x6i h ARG 385 Cb 0.22 0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 28.48 2x6i h ARG 385 CO 0.01 0.55 0.58 -0.07 0.56 0.00 0.00 179.97 181.60 2x6i h LEU 386 N -0.68 0.50 -0.86 3.04 3.38 -0.52 -1.76 115.31 118.42 2x6i h LEU 386 Ca -0.00 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.10 2x6i h LEU 386 Cb 0.61 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 2x6i h LEU 386 CO 0.01 0.22 0.51 0.00 0.09 0.00 0.00 178.44 179.27 2x6i h ALA 387 N 1.61 1.22 0.00 1.53 0.00 -1.16 -1.90 119.26 120.57 2x6i h ALA 387 Ca 0.46 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.34 2x6i h ALA 387 Cb 1.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2x6i h ALA 387 CO -0.20 0.17 -0.27 1.96 0.00 0.00 0.00 179.25 180.91 2x6i h GLN 388 N 0.87 0.00 -6.87 0.00 1.08 -1.39 -3.45 115.11 105.35 2x6i h GLN 388 Ca 0.40 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 57.08 2x6i h GLN 388 Cb 0.32 0.00 0.07 0.00 -0.05 0.00 0.00 27.48 27.82 2x6i h GLN 388 CO -0.23 0.27 0.67 0.00 -0.95 0.00 0.00 178.83 178.59 2x6i s ALA 389 N -3.93 3.53 0.78 3.87 0.00 -0.72 -5.00 121.76 120.28 2x6i s ALA 389 Ca -0.01 1.32 -0.12 0.00 0.00 0.00 0.00 51.96 53.14 2x6i s ALA 389 Cb 0.12 -3.51 0.07 0.00 0.00 0.00 0.00 23.12 19.80 2x6i s ALA 389 CO 0.65 -0.72 1.13 -2.14 0.00 0.00 0.00 175.76 174.69 2x6i s PRO 390 N -1.65 2.00 0.16 0.00 0.02 -1.26 -4.87 135.00 129.41 2x6i s PRO 390 Ca 0.51 1.42 -0.16 0.00 0.02 0.00 0.00 61.00 62.79 2x6i s PRO 390 Cb -0.41 -1.85 0.08 0.00 0.02 0.00 0.00 34.50 32.34 2x6i s PRO 390 CO 0.53 -1.87 1.75 -0.44 -0.33 0.00 0.00 177.00 176.64 2x6i h ASP 391 N -0.96 0.11 -0.94 2.53 3.45 -1.97 -2.34 116.42 116.30 2x6i h ASP 391 Ca -0.45 0.05 0.26 0.00 0.43 0.00 0.00 57.03 57.32 2x6i h ASP 391 Cb 1.26 0.04 -0.14 0.00 -0.56 0.00 0.00 39.33 39.93 2x6i h ASP 391 CO 0.49 0.10 0.43 1.05 -1.57 0.00 0.00 179.24 179.74 2x6i h GLU 392 N 0.27 0.34 -0.39 3.56 4.11 -2.00 0.32 114.58 120.79 2x6i h GLU 392 Ca 0.17 -0.02 -0.12 0.00 0.07 0.00 0.00 59.36 59.46 2x6i h GLU 392 Cb 0.16 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2x6i h GLU 392 CO -0.19 0.22 -0.24 -0.44 0.07 0.00 0.00 179.01 178.43 2x6i h ASP 393 N 0.35 0.80 0.01 3.06 5.19 -1.79 -2.61 116.42 121.43 2x6i h ASP 393 Ca 0.63 -0.30 -0.08 0.00 -0.62 0.00 0.00 57.03 56.65 2x6i h ASP 393 Cb 1.29 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 40.57 2x6i h ASP 393 CO -0.58 1.01 -0.23 -0.07 -3.12 0.00 0.00 179.24 176.25 2x6i h LEU 394 N 0.68 0.37 -0.17 1.55 4.07 -0.34 -2.45 115.31 119.03 2x6i h LEU 394 Ca 0.09 -0.11 0.04 0.00 0.08 0.00 0.00 57.88 57.98 2x6i h LEU 394 Cb 0.76 -0.10 -0.04 0.00 1.08 0.00 0.00 40.66 42.36 2x6i h LEU 394 CO 0.06 0.61 -0.09 -0.07 -1.08 0.00 0.00 178.44 177.87 2x6i h LEU 395 N 0.34 -0.31 0.53 1.67 3.38 -0.41 0.39 115.31 120.90 2x6i h LEU 395 Ca 0.05 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2x6i h LEU 395 Cb 0.59 0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.52 2x6i h LEU 395 CO 0.04 -0.13 -0.25 -0.07 0.09 0.00 0.00 178.44 178.12 2x6i h LEU 396 N -0.09 -0.60 -0.28 1.67 4.07 -1.32 -2.55 115.31 116.22 2x6i h LEU 396 Ca 0.10 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.04 2x6i h LEU 396 Cb 0.23 0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.12 2x6i h LEU 396 CO -0.22 -0.37 0.00 -1.22 -1.08 0.00 0.00 178.44 175.55 2x6i n TYR 397 N -5.36 0.25 -0.17 1.13 4.02 -0.95 -3.69 117.16 112.39 2x6i n TYR 397 Ca -0.12 0.11 -0.02 0.00 -0.01 0.00 0.00 57.90 57.85 2x6i n TYR 397 Cb 0.31 -0.67 0.07 0.00 -0.02 0.00 0.00 39.34 39.03 2x6i n TYR 397 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 2x6i h LEU 398 N 0.00 0.08 -0.60 7.72 7.12 0.24 0.25 115.31 130.11 2x6i h LEU 398 Ca 0.00 0.08 0.10 0.00 0.13 0.00 0.00 57.88 58.19 2x6i h LEU 398 Cb 0.21 0.09 -0.08 0.00 -0.53 0.00 0.00 40.66 40.36 2x6i h LEU 398 CO 0.00 0.07 0.19 0.25 -0.13 0.00 0.00 178.44 178.82 2x6i h LEU 399 N 0.29 0.14 -0.47 2.25 5.85 -1.74 -1.47 115.31 120.16 2x6i h LEU 399 Ca 0.26 0.09 -0.16 0.00 0.84 0.00 0.00 57.88 58.91 2x6i h LEU 399 Cb 0.33 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2x6i h LEU 399 CO -0.30 0.09 -0.47 1.56 -0.34 0.00 0.00 178.44 178.97 2x6i h GLN 400 N 0.35 0.74 -0.99 1.25 7.50 -1.40 -2.97 115.11 119.58 2x6i h GLN 400 Ca 0.31 -0.42 0.02 0.00 0.50 0.00 0.00 58.65 59.06 2x6i h GLN 400 Cb 0.42 0.03 -0.05 0.00 0.05 0.00 0.00 27.48 27.93 2x6i h GLN 400 CO -0.34 1.04 0.65 -0.07 -1.50 0.00 0.00 178.83 178.62 2x6i h LEU 401 N 0.58 1.12 -0.19 1.46 3.38 -0.41 0.32 115.31 121.57 2x6i h LEU 401 Ca 0.03 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2x6i h LEU 401 Cb 1.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2x6i h LEU 401 CO 0.10 0.80 0.12 0.58 0.09 0.00 0.00 178.44 180.13 2x6i h VAL 402 N 1.32 1.07 -0.42 1.22 2.07 -1.18 -2.13 116.25 118.20 2x6i h VAL 402 Ca 0.37 -0.17 0.06 0.00 0.82 0.00 0.00 66.70 67.78 2x6i h VAL 402 Cb -0.11 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 2x6i h VAL 402 CO -0.09 0.07 0.12 1.56 0.02 0.00 0.00 177.57 179.25 2x6i h GLN 403 N 0.24 0.27 -0.54 1.57 1.08 -1.22 -3.07 115.11 113.44 2x6i h GLN 403 Ca 0.07 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.22 2x6i h GLN 403 Cb 0.01 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.35 2x6i h GLN 403 CO -0.01 0.18 0.21 0.00 -0.95 0.00 0.00 178.83 178.25 2x6i h ALA 404 N 1.29 1.34 -0.17 3.87 0.00 0.07 0.37 119.26 126.04 2x6i h ALA 404 Ca 0.20 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.01 2x6i h ALA 404 Cb 0.21 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2x6i h ALA 404 CO -0.23 0.49 0.40 1.25 0.00 0.00 0.00 179.25 181.16 2x6i h LEU 405 N 0.78 0.00 -2.46 0.00 6.46 -1.29 0.44 115.31 119.23 2x6i h LEU 405 Ca 0.18 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 2x6i h LEU 405 Cb 0.17 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.10 2x6i h LEU 405 CO -0.02 0.00 -0.03 0.50 -0.62 0.00 0.00 178.44 178.28 2x6i h LYS 406 N 0.00 0.00 -6.72 1.25 3.64 -0.33 -3.41 116.57 110.99 2x6i h LYS 406 Ca 0.08 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.96 2x6i h LYS 406 Cb 0.88 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 2x6i h LYS 406 CO -0.00 0.03 0.05 0.71 -2.27 0.00 0.00 179.45 177.96 2x6i s TYR 407 N -4.27 3.45 1.25 1.91 4.12 0.15 -5.04 117.35 118.93 2x6i s TYR 407 Ca -0.04 0.98 -0.18 0.00 0.02 0.00 0.00 57.07 57.85 2x6i s TYR 407 Cb 0.13 -2.38 0.27 0.00 -1.52 0.00 0.00 41.96 38.47 2x6i s TYR 407 CO 0.50 0.01 0.63 0.39 0.02 0.00 0.00 175.55 177.10 2x6i n GLU 408 N -0.98 -3.21 -3.55 -0.62 1.02 -1.26 -4.85 120.64 107.19 2x6i n GLU 408 Ca 0.02 -0.94 -0.37 0.00 -0.02 0.00 0.00 57.16 55.85 2x6i n GLU 408 Cb 0.54 -1.84 -0.07 0.00 -0.02 0.00 0.00 31.44 30.05 2x6i n GLU 408 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2x6i s ASP 409 N -2.44 6.55 0.41 1.62 -1.08 -1.26 -5.03 116.67 115.44 2x6i s ASP 409 Ca 0.59 0.65 0.09 0.00 -0.52 0.00 0.00 52.55 53.36 2x6i s ASP 409 Cb -0.14 -2.20 0.90 0.00 -1.46 0.00 0.00 42.92 40.02 2x6i s ASP 409 CO 0.55 0.19 2.01 -0.65 0.52 0.00 0.00 175.17 177.80 2x6i h PRO 410 N 5.94 0.52 -1.01 4.34 0.11 -1.96 -2.76 132.00 137.19 2x6i h PRO 410 Ca -0.46 -0.03 0.24 0.00 0.11 0.00 0.00 66.00 65.87 2x6i h PRO 410 Cb 1.19 -0.12 -0.09 0.00 0.11 0.00 0.00 31.00 32.09 2x6i h PRO 410 CO 0.70 0.35 0.64 0.00 -0.21 0.00 0.00 178.00 179.48 2x6i h ARG 411 N 0.54 0.45 -0.45 1.05 3.08 -1.99 -0.64 114.38 116.42 2x6i h ARG 411 Ca 0.22 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.21 2x6i h ARG 411 Cb 0.21 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2x6i h ARG 411 CO -0.06 0.30 0.15 0.45 -1.07 0.00 0.00 179.97 179.73 2x6i h HIS 412 N 0.46 0.65 0.10 3.04 3.86 -1.92 -1.63 115.15 119.71 2x6i h HIS 412 Ca 0.58 -0.04 -0.30 0.00 -1.16 0.00 0.00 60.37 59.45 2x6i h HIS 412 Cb 1.35 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.60 2x6i h HIS 412 CO -0.00 0.53 -1.56 0.82 0.86 0.00 0.00 177.93 178.58 2x6i h ILE 413 N 0.64 1.11 -0.00 2.45 2.04 -1.28 -2.90 117.51 119.57 2x6i h ILE 413 Ca 0.15 -2.78 -0.15 0.00 1.00 0.00 0.00 64.86 63.08 2x6i h ILE 413 Cb 0.18 2.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.95 2x6i h ILE 413 CO -0.01 0.79 -0.69 -0.37 0.00 0.00 0.00 178.15 177.87 2x6i h VAL 414 N 0.06 1.49 -0.25 1.67 -1.51 -1.44 -1.62 116.25 114.64 2x6i h VAL 414 Ca -0.25 -2.35 -0.02 0.00 -1.23 0.00 0.00 66.70 62.85 2x6i h VAL 414 Cb 2.00 2.27 -0.01 0.00 -2.13 0.00 0.00 31.29 33.42 2x6i h VAL 414 CO 0.14 0.67 0.08 -0.74 -1.23 0.00 0.00 177.57 176.50 2x6i h HIS 415 N 0.02 0.40 -0.02 5.19 -0.00 -1.37 -1.00 115.15 118.37 2x6i h HIS 415 Ca -0.01 -0.04 -0.06 0.00 -0.00 0.00 0.00 60.37 60.26 2x6i h HIS 415 Cb 1.23 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 28.51 2x6i h HIS 415 CO 0.00 0.45 -0.27 1.25 -0.00 0.00 0.00 177.93 179.36 2x6i h LEU 416 N 0.24 0.03 -0.15 0.26 5.85 -1.46 -0.79 115.31 119.29 2x6i h LEU 416 Ca 0.08 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 2x6i h LEU 416 Cb 0.24 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 2x6i h LEU 416 CO -0.00 0.31 -0.06 -0.74 -0.34 0.00 0.00 178.44 177.61 2x6i h HIS 417 N 0.03 0.35 0.00 1.25 2.76 -0.95 0.31 115.15 118.90 2x6i h HIS 417 Ca 0.00 -0.08 -0.00 0.00 -2.20 0.00 0.00 60.37 58.09 2x6i h HIS 417 Cb 0.50 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.38 2x6i h HIS 417 CO 0.00 0.61 -0.00 0.78 -1.30 0.00 0.00 177.93 178.02 2x6i h GLY 418 N -0.01 0.00 0.59 5.26 0.00 -0.92 -1.80 103.07 106.20 2x6i h GLY 418 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2x6i h GLY 418 CO 0.02 0.00 -0.97 0.00 0.00 0.00 0.00 176.54 175.59 2x6i n ILE 420 N -1.88 0.00 -0.76 0.00 5.41 -0.02 -5.04 119.36 117.06 2x6i n ILE 420 Ca 0.02 -0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.56 2x6i n ILE 420 Cb 0.42 0.79 0.00 0.00 -0.71 0.00 0.00 39.64 40.14 2x6i n ILE 420 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2x6i n PHE 421 N -1.49 0.00 -3.02 1.39 3.72 -0.72 -5.10 117.46 112.25 2x6i n PHE 421 Ca 0.01 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.97 2x6i n PHE 421 Cb 0.25 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.78 2x6i n PHE 421 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2x6i s ALA 531 N 0.00 3.86 0.83 4.37 0.00 -1.26 -4.99 121.76 124.58 2x6i s ALA 531 Ca 0.00 -3.20 -0.11 0.00 0.00 0.00 0.00 51.96 48.65 2x6i s ALA 531 Cb 0.00 -3.97 0.09 0.00 0.00 0.00 0.00 23.12 19.24 2x6i s ALA 531 CO 0.00 -2.73 1.09 1.21 0.00 0.00 0.00 175.76 175.33 2x6i s ASN 532 N 2.88 4.09 0.06 0.00 2.47 -1.26 -4.82 114.94 118.35 2x6i s ASN 532 Ca 0.35 1.50 -0.26 0.00 0.42 0.00 0.00 52.86 54.88 2x6i s ASN 532 Cb -0.05 -2.22 -0.13 0.00 -1.45 0.00 0.00 41.25 37.40 2x6i s ASN 532 CO -0.05 -2.25 1.40 0.25 -3.72 0.00 0.00 177.10 172.73 2x6i h LEU 533 N -1.28 -0.97 -0.41 3.21 7.12 -1.98 -2.56 115.31 118.44 2x6i h LEU 533 Ca -0.47 0.07 0.07 0.00 0.13 0.00 0.00 57.88 57.68 2x6i h LEU 533 Cb 1.26 0.31 -0.06 0.00 -0.53 0.00 0.00 40.66 41.65 2x6i h LEU 533 CO 0.55 -0.50 0.07 0.00 -0.13 0.00 0.00 178.44 178.43 2x6i h THR 535 N 0.20 0.62 0.18 0.00 1.35 -1.95 -1.40 112.91 111.90 2x6i h THR 535 Ca 0.20 -0.14 -0.00 0.00 -0.55 0.00 0.00 66.41 65.92 2x6i h THR 535 Cb 0.25 0.17 -0.01 0.00 -1.73 0.00 0.00 68.15 66.84 2x6i h THR 535 CO -0.28 0.07 -0.12 0.15 -0.25 0.00 0.00 175.52 175.10 2x6i h PHE 536 N 0.41 -0.32 -0.30 4.73 3.04 -0.72 -0.94 116.94 122.84 2x6i h PHE 536 Ca 0.42 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.42 2x6i h PHE 536 Cb 0.67 0.12 -0.04 0.00 2.56 0.00 0.00 35.95 39.26 2x6i h PHE 536 CO -0.18 -0.19 0.04 -0.07 -2.02 0.00 0.00 178.31 175.89 2x6i h LEU 537 N -0.30 -0.03 0.30 0.59 3.38 -0.65 -1.52 115.31 117.08 2x6i h LEU 537 Ca -0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2x6i h LEU 537 Cb 0.26 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2x6i h LEU 537 CO 0.00 0.02 -0.41 0.40 0.09 0.00 0.00 178.44 178.54 2x6i h ILE 538 N 0.14 0.17 -0.96 1.22 5.03 -1.11 0.20 117.51 122.21 2x6i h ILE 538 Ca 0.14 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.91 2x6i h ILE 538 Cb 0.17 0.17 -0.05 0.00 -3.03 0.00 0.00 36.82 34.08 2x6i h ILE 538 CO -0.20 0.00 0.63 -0.61 -0.68 0.00 0.00 178.15 177.29 2x6i h GLN 539 N -0.76 1.21 -0.08 2.37 4.15 -0.68 0.51 115.11 121.83 2x6i h GLN 539 Ca -0.01 -0.07 -0.18 0.00 0.77 0.00 0.00 58.65 59.15 2x6i h GLN 539 Cb 0.72 -0.27 -0.00 0.00 0.21 0.00 0.00 27.48 28.13 2x6i h GLN 539 CO -0.13 0.80 -0.73 0.00 -1.93 0.00 0.00 178.83 176.84 2x6i h ARG 540 N 1.25 0.41 -0.83 1.69 3.08 -1.22 -3.02 114.38 115.74 2x6i h ARG 540 Ca 0.37 -0.34 0.17 0.00 0.07 0.00 0.00 59.98 60.25 2x6i h ARG 540 Cb -0.05 0.07 -0.11 0.00 0.08 0.00 0.00 29.97 29.96 2x6i h ARG 540 CO -0.11 0.98 0.37 0.00 -1.07 0.00 0.00 179.97 180.14 2x6i h ALA 541 N 0.93 1.25 0.00 0.04 0.00 0.17 -1.19 119.26 120.45 2x6i h ALA 541 Ca -0.03 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 2x6i h ALA 541 Cb 1.31 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 2x6i h ALA 541 CO 0.13 -0.22 -0.51 0.00 0.00 0.00 0.00 179.25 178.65 2x6i h THR 543 N 0.00 1.23 -3.81 0.00 2.02 -1.10 -3.44 112.91 107.81 2x6i h THR 543 Ca -0.01 -0.43 -0.59 0.00 0.77 0.00 0.00 66.41 66.15 2x6i h THR 543 Cb 1.10 -0.04 -0.32 0.00 -1.74 0.00 0.00 68.15 67.15 2x6i h THR 543 CO 0.07 0.22 -0.85 0.21 0.37 0.00 0.00 175.52 175.54 2x6i s ASN 544 N -6.02 2.38 0.04 4.18 3.84 -1.11 -5.06 114.94 113.19 2x6i s ASN 544 Ca -0.13 -0.40 -0.17 0.00 0.21 0.00 0.00 52.86 52.37 2x6i s ASN 544 Cb 0.16 -0.75 -0.23 0.00 -0.55 0.00 0.00 41.25 39.88 2x6i s ASN 544 CO 0.80 0.16 1.14 0.00 -2.79 0.00 0.00 177.10 176.41 2x6i h ALA 545 N 6.34 0.10 -0.24 1.71 0.00 -1.85 0.04 119.26 125.36 2x6i h ALA 545 Ca -0.31 -0.63 -0.01 0.00 0.00 0.00 0.00 54.91 53.97 2x6i h ALA 545 Cb 1.18 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2x6i h ALA 545 CO 0.48 0.50 0.12 1.79 0.00 0.00 0.00 179.25 182.14 2x6i h THR 546 N 0.13 1.14 -0.13 0.00 1.35 -1.95 -2.26 112.91 111.18 2x6i h THR 546 Ca -0.10 -0.39 0.04 0.00 -0.55 0.00 0.00 66.41 65.42 2x6i h THR 546 Cb 1.48 0.95 -0.05 0.00 -1.73 0.00 0.00 68.15 68.81 2x6i h THR 546 CO 0.16 0.14 -0.17 0.25 -0.25 0.00 0.00 175.52 175.64 2x6i h LEU 547 N 0.26 -0.54 -0.99 3.87 6.46 -1.88 -1.70 115.31 120.79 2x6i h LEU 547 Ca 0.08 0.10 0.12 0.00 -0.12 0.00 0.00 57.88 58.06 2x6i h LEU 547 Cb 0.11 0.25 -0.09 0.00 -0.73 0.00 0.00 40.66 40.21 2x6i h LEU 547 CO -0.01 -0.22 0.62 0.00 -0.62 0.00 0.00 178.44 178.20 2x6i h ALA 548 N 0.81 1.50 -0.03 1.25 0.00 -0.84 -1.17 119.26 120.78 2x6i h ALA 548 Ca 0.10 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2x6i h ALA 548 Cb 0.36 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2x6i h ALA 548 CO -0.26 0.20 -0.02 -0.97 0.00 0.00 0.00 179.25 178.20 2x6i h ASN 549 N 0.96 -0.07 -0.13 0.00 -1.24 -0.72 -1.71 115.58 112.67 2x6i h ASN 549 Ca 0.50 0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.50 2x6i h ASN 549 Cb 0.51 0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.59 2x6i h ASN 549 CO -0.27 -0.03 0.00 1.88 -1.29 0.00 0.00 177.43 177.72 2x6i h TYR 550 N -0.02 0.25 -0.63 0.67 0.05 -0.79 -2.34 116.97 114.16 2x6i h TYR 550 Ca 0.02 -0.04 0.11 0.00 0.05 0.00 0.00 58.73 58.86 2x6i h TYR 550 Cb 0.06 -0.07 -0.12 0.00 1.01 0.00 0.00 36.73 37.61 2x6i h TYR 550 CO -0.11 0.46 -0.36 0.35 -1.05 0.00 0.00 178.16 177.45 2x6i h PHE 551 N -0.03 -1.00 -0.06 4.88 3.57 -1.29 -1.71 116.94 121.31 2x6i h PHE 551 Ca 0.04 0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.64 2x6i h PHE 551 Cb 0.36 0.53 -0.03 0.00 2.79 0.00 0.00 35.95 39.60 2x6i h PHE 551 CO 0.03 -0.39 -0.10 -0.92 -2.23 0.00 0.00 178.31 174.70 2x6i h TYR 552 N -0.16 -0.26 -0.16 0.41 3.20 -0.77 -1.40 116.97 117.84 2x6i h TYR 552 Ca 0.23 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.04 2x6i h TYR 552 Cb 0.56 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 2x6i h TYR 552 CO -0.67 -0.16 -0.22 -1.49 -1.64 0.00 0.00 178.16 173.98 2x6i h TRP 553 N -0.15 0.31 -0.42 -3.82 4.06 -1.29 -0.06 115.95 114.57 2x6i h TRP 553 Ca 0.06 -0.05 -0.09 0.00 2.06 0.00 0.00 58.89 60.87 2x6i h TRP 553 Cb 0.23 -0.08 -0.01 0.00 -1.00 0.00 0.00 29.16 28.30 2x6i h TRP 553 CO -0.19 0.49 -0.08 1.88 -3.56 0.00 0.00 178.44 176.97 2x6i h TYR 554 N 0.26 0.90 -0.50 0.49 -1.99 -0.85 -2.80 116.97 112.48 2x6i h TYR 554 Ca 0.04 -0.19 -0.12 0.00 2.00 0.00 0.00 58.73 60.47 2x6i h TYR 554 Cb 0.54 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 39.04 2x6i h TYR 554 CO 0.01 0.91 -0.16 -0.07 -0.00 0.00 0.00 178.16 178.85 2x6i h LEU 555 N 0.62 1.00 -1.39 3.88 3.38 -0.85 -3.30 115.31 118.66 2x6i h LEU 555 Ca 0.11 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 2x6i h LEU 555 Cb 0.61 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2x6i h LEU 555 CO 0.04 1.15 -0.20 0.77 0.09 0.00 0.00 178.44 180.29 2x6i h SER 556 N 0.85 0.15 -0.19 -0.43 4.64 -0.94 0.16 113.55 117.78 2x6i h SER 556 Ca 0.12 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.32 2x6i h SER 556 Cb 0.73 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 2x6i h SER 556 CO 0.06 0.36 -0.15 0.40 -0.87 0.00 0.00 176.83 176.63 2x6i h ILE 557 N 0.14 1.25 0.00 0.95 2.04 -1.57 -3.06 117.51 117.26 2x6i h ILE 557 Ca 0.03 -1.13 -0.17 0.00 1.00 0.00 0.00 64.86 64.59 2x6i h ILE 557 Cb 0.44 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 2x6i h ILE 557 CO 0.03 0.37 -0.82 -0.33 0.00 0.00 0.00 178.15 177.40 2x6i h GLU 558 N 0.53 0.00 0.00 2.37 4.39 -1.06 -3.13 114.58 117.69 2x6i h GLU 558 Ca 0.09 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.60 2x6i h GLU 558 Cb 0.57 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.19 2x6i h GLU 558 CO 0.04 0.82 -1.08 -0.39 -1.16 0.00 0.00 179.01 177.23 2x6i h VAL 559 N 0.00 1.07 -0.77 3.13 -1.51 -1.56 -3.46 116.25 113.16 2x6i h VAL 559 Ca -0.01 -2.67 0.27 0.00 -1.23 0.00 0.00 66.70 63.07 2x6i h VAL 559 Cb 1.57 2.48 -0.14 0.00 -2.13 0.00 0.00 31.29 33.07 2x6i h VAL 559 CO 0.11 0.61 0.22 -1.84 -1.23 0.00 0.00 177.57 175.44 2x6i n GLU 560 N -3.16 -0.05 -0.43 5.19 0.28 -1.16 -5.00 120.64 116.30 2x6i n GLU 560 Ca -0.05 1.10 0.00 0.00 -0.16 0.00 0.00 57.16 58.06 2x6i n GLU 560 Cb 0.88 -1.87 0.00 0.00 1.43 0.00 0.00 31.44 31.89 2x6i n GLU 560 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2x6i n ARG 566 N -4.90 0.00 0.00 3.44 1.74 -1.26 -5.09 116.66 110.58 2x6i n ARG 566 Ca 0.24 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.45 2x6i n ARG 566 Cb 0.80 -0.43 0.37 0.00 -1.02 0.00 0.00 32.46 32.17 2x6i n ARG 566 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 2x6i n LYS 567 N -2.04 0.99 -0.07 5.56 2.85 -1.26 -3.87 118.16 120.32 2x6i n LYS 567 Ca 0.00 -0.60 0.04 0.00 -1.05 0.00 0.00 58.31 56.70 2x6i n LYS 567 Cb 0.28 -1.49 0.08 0.00 -0.65 0.00 0.00 35.03 33.25 2x6i n LYS 567 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2x6i n GLN 568 N -0.48 1.69 0.12 -1.58 3.00 -1.26 -4.09 117.38 114.78 2x6i n GLN 568 Ca 0.13 -1.51 0.06 0.00 -0.01 0.00 0.00 57.00 55.67 2x6i n GLN 568 Cb 0.36 -1.19 0.02 0.00 0.00 0.00 0.00 30.24 29.43 2x6i n GLN 568 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 2x6i h ASP 569 N 1.59 0.00 0.24 1.08 3.32 -2.01 -3.33 116.42 117.31 2x6i h ASP 569 Ca 0.00 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.80 2x6i h ASP 569 Cb 0.53 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.09 2x6i h ASP 569 CO 0.00 0.28 -1.01 -0.33 -1.72 0.00 0.00 179.24 176.46 2x6i h GLU 570 N 0.00 0.50 0.06 3.56 5.08 -1.73 -3.03 114.58 119.02 2x6i h GLU 570 Ca -0.05 -0.56 -0.27 0.00 -1.00 0.00 0.00 59.36 57.48 2x6i h GLU 570 Cb 1.25 0.17 0.03 0.00 0.50 0.00 0.00 28.75 30.69 2x6i h GLU 570 CO 0.03 1.20 -1.10 -0.09 -1.00 0.00 0.00 179.01 178.04 2x6i h ARG 571 N 0.27 0.63 -0.13 2.33 2.43 -1.71 -2.86 114.38 115.34 2x6i h ARG 571 Ca -0.11 -0.77 -0.19 0.00 -0.81 0.00 0.00 59.98 58.10 2x6i h ARG 571 Cb 1.66 0.24 0.01 0.00 -0.42 0.00 0.00 29.97 31.46 2x6i h ARG 571 CO 0.18 1.34 -0.68 0.00 -1.51 0.00 0.00 179.97 179.30 2x6i h ALA 572 N 0.32 0.25 -0.72 2.80 0.00 -1.73 -2.68 119.26 117.51 2x6i h ALA 572 Ca -0.16 -0.57 0.16 0.00 0.00 0.00 0.00 54.91 54.35 2x6i h ALA 572 Cb 1.78 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 19.44 2x6i h ALA 572 CO 0.21 0.56 0.07 1.25 0.00 0.00 0.00 179.25 181.35 2x6i h HIS 573 N 0.37 0.08 -0.18 0.00 -0.00 -1.59 0.37 115.15 114.19 2x6i h HIS 573 Ca -0.05 0.05 0.05 0.00 -0.00 0.00 0.00 60.37 60.42 2x6i h HIS 573 Cb 1.31 0.08 -0.05 0.00 -0.00 0.00 0.00 27.41 28.75 2x6i h HIS 573 CO 0.10 -0.17 -0.14 -0.44 -0.00 0.00 0.00 177.93 177.28 2x6i h ASP 574 N 0.16 -0.45 -0.77 3.26 3.32 -1.41 -1.71 116.42 118.83 2x6i h ASP 574 Ca 0.40 0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.60 2x6i h ASP 574 Cb 0.69 0.23 -0.06 0.00 0.22 0.00 0.00 39.33 40.41 2x6i h ASP 574 CO -0.58 -0.18 0.46 -0.03 -1.72 0.00 0.00 179.24 177.19 2x6i h MET 575 N -0.15 0.83 -0.72 3.56 4.05 -0.34 -2.69 114.93 119.47 2x6i h MET 575 Ca 0.11 -0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.49 2x6i h MET 575 Cb 0.31 -0.19 -0.04 0.00 -0.80 0.00 0.00 31.60 30.89 2x6i h MET 575 CO -0.27 0.55 0.47 1.88 0.23 0.00 0.00 176.91 179.77 2x6i h TYR 576 N 0.85 0.89 -0.85 1.39 0.99 0.43 -2.17 116.97 118.50 2x6i h TYR 576 Ca 0.34 0.02 0.03 0.00 2.00 0.00 0.00 58.73 61.12 2x6i h TYR 576 Cb 0.16 -0.30 -0.05 0.00 1.00 0.00 0.00 36.73 37.54 2x6i h TYR 576 CO -0.05 0.56 0.54 0.00 -0.00 0.00 0.00 178.16 179.21 2x6i h ALA 577 N 1.27 1.11 -0.34 3.88 0.00 -1.05 -0.01 119.26 124.13 2x6i h ALA 577 Ca 0.27 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.17 2x6i h ALA 577 Cb -0.10 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.37 2x6i h ALA 577 CO -0.06 0.39 0.15 0.52 0.00 0.00 0.00 179.25 180.24 2x6i h MET 578 N 1.06 0.31 -0.61 0.00 2.86 -1.24 -0.94 114.93 116.38 2x6i h MET 578 Ca 0.34 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.86 2x6i h MET 578 Cb -0.00 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 2x6i h MET 578 CO -0.11 0.20 -0.00 0.28 1.06 0.00 0.00 176.91 178.34 2x6i h VAL 579 N 0.32 1.27 0.09 -2.22 2.07 -0.90 -1.26 116.25 115.61 2x6i h VAL 579 Ca 0.15 -1.15 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 2x6i h VAL 579 Cb 0.08 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2x6i h VAL 579 CO -0.12 0.42 -0.04 0.25 0.02 0.00 0.00 177.57 178.10 2x6i h LEU 580 N 0.97 -0.10 -0.80 2.57 6.46 -0.79 -2.42 115.31 121.20 2x6i h LEU 580 Ca 0.17 -0.25 -0.01 0.00 -0.12 0.00 0.00 57.88 57.66 2x6i h LEU 580 Cb 0.56 0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 40.48 2x6i h LEU 580 CO 0.03 0.20 0.44 0.11 -0.62 0.00 0.00 178.44 178.60 2x6i h LYS 581 N -0.41 1.11 0.47 1.25 6.56 -1.05 -1.44 116.57 123.06 2x6i h LYS 581 Ca -0.01 -0.13 -0.02 0.00 -1.06 0.00 0.00 60.65 59.43 2x6i h LYS 581 Cb 0.35 -0.22 -0.01 0.00 -0.57 0.00 0.00 32.23 31.78 2x6i h LYS 581 CO 0.02 0.82 -0.31 0.52 -2.06 0.00 0.00 179.45 178.43 2x6i h MET 582 N 1.10 -0.73 -0.71 3.15 2.86 -1.27 -0.37 114.93 118.97 2x6i h MET 582 Ca 0.28 0.05 0.12 0.00 -2.06 0.00 0.00 59.70 58.09 2x6i h MET 582 Cb 0.03 0.17 -0.13 0.00 0.06 0.00 0.00 31.60 31.73 2x6i h MET 582 CO -0.05 -0.49 -0.36 0.35 1.06 0.00 0.00 176.91 177.43 2x6i h PHE 583 N -0.76 -1.00 -0.19 -0.22 3.57 -0.90 0.58 116.94 118.01 2x6i h PHE 583 Ca -0.05 0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2x6i h PHE 583 Cb 0.63 0.54 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 2x6i h PHE 583 CO -0.11 -0.39 0.08 -0.07 -2.23 0.00 0.00 178.31 175.58 2x6i h LEU 584 N -0.12 0.23 -0.26 0.59 3.38 -0.95 -1.68 115.31 116.51 2x6i h LEU 584 Ca 0.26 -0.02 -0.20 0.00 0.09 0.00 0.00 57.88 58.02 2x6i h LEU 584 Cb 0.56 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2x6i h LEU 584 CO -0.77 0.22 -0.63 0.50 0.09 0.00 0.00 178.44 177.84 2x6i h LYS 585 N 0.27 0.83 0.00 1.13 1.63 0.18 -2.67 116.57 117.94 2x6i h LYS 585 Ca 0.07 -0.58 -0.05 0.00 -0.85 0.00 0.00 60.65 59.23 2x6i h LYS 585 Cb 0.06 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.77 2x6i h LYS 585 CO -0.01 1.21 -0.26 0.28 -3.45 0.00 0.00 179.45 177.22 2x6i h VAL 586 N 0.61 1.07 -0.22 2.00 2.07 -0.12 -2.71 116.25 118.95 2x6i h VAL 586 Ca -0.01 -0.93 -0.17 0.00 0.82 0.00 0.00 66.70 66.41 2x6i h VAL 586 Cb 1.25 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2x6i h VAL 586 CO 0.14 0.25 -0.54 -0.07 0.02 0.00 0.00 177.57 177.37 2x6i h LEU 587 N 0.00 0.86 -0.62 2.57 3.38 -1.11 -2.75 115.31 117.64 2x6i h LEU 587 Ca -0.00 -0.56 -0.10 0.00 0.09 0.00 0.00 57.88 57.31 2x6i h LEU 587 Cb 0.50 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2x6i h LEU 587 CO 0.03 1.27 0.00 -0.33 0.09 0.00 0.00 178.44 179.51 2x6i h GLU 588 N 0.49 1.09 0.00 1.13 5.08 -1.32 -2.78 114.58 118.27 2x6i h GLU 588 Ca -0.00 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2x6i h GLU 588 Cb 1.15 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2x6i h GLU 588 CO 0.12 1.06 0.00 0.09 -1.00 0.00 0.00 179.01 179.27 2x6i n ASN 589 N -4.18 0.10 -4.03 1.42 5.03 -1.04 -4.80 115.26 107.77 2x6i n ASN 589 Ca 0.03 0.52 -0.30 0.00 0.87 0.00 0.00 54.58 55.70 2x6i n ASN 589 Cb 0.35 -0.54 0.22 0.00 -1.02 0.00 0.00 39.78 38.79 2x6i n ASN 589 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2x6i s GLY 590 N -3.08 1.58 0.57 7.41 0.00 -1.04 -5.04 107.32 107.73 2x6i s GLY 590 Ca 0.10 -0.82 -0.17 0.00 0.00 0.00 0.00 44.72 43.82 2x6i s GLY 590 CO 0.39 -0.01 1.07 0.54 0.00 0.00 0.00 173.10 175.09 2x6i s ASN 591 N -3.83 5.82 0.00 1.64 2.20 -1.26 -4.72 114.94 114.80 2x6i s ASN 591 Ca 0.70 1.91 0.00 0.00 -0.94 0.00 0.00 52.86 54.53 2x6i s ASN 591 Cb -0.12 -2.55 0.00 0.00 -2.00 0.00 0.00 41.25 36.59 2x6i s ASN 591 CO 0.56 -1.14 0.00 0.49 -2.94 0.00 0.00 177.10 174.07 2x6i n PHE 592 N -1.73 0.00 -0.18 1.54 3.72 -1.26 -0.40 117.46 119.15 2x6i n PHE 592 Ca 0.09 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.43 2x6i n PHE 592 Cb 0.52 -0.31 0.10 0.00 -0.94 0.00 0.00 39.48 38.85 2x6i n PHE 592 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 2x6i h ASN 593 N 0.00 0.94 0.81 4.37 2.35 -1.97 -1.05 115.58 121.02 2x6i h ASN 593 Ca 0.00 -0.22 -0.04 0.00 -0.55 0.00 0.00 56.30 55.49 2x6i h ASN 593 Cb 0.00 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.12 2x6i h ASN 593 CO 0.00 0.95 -0.46 -0.07 -1.65 0.00 0.00 177.43 176.21 2x6i h LEU 594 N 0.92 -1.13 -1.31 1.61 3.38 -1.01 -1.32 115.31 116.44 2x6i h LEU 594 Ca 0.18 0.06 0.28 0.00 0.09 0.00 0.00 57.88 58.48 2x6i h LEU 594 Cb 0.44 0.32 -0.10 0.00 0.09 0.00 0.00 40.66 41.40 2x6i h LEU 594 CO 0.01 -0.73 0.67 0.03 0.09 0.00 0.00 178.44 178.52 2x6i h ARG 595 N -1.17 0.39 -0.37 1.13 -0.00 -1.28 0.51 114.38 113.58 2x6i h ARG 595 Ca -0.11 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.98 59.35 2x6i h ARG 595 Cb 0.93 -0.09 -0.02 0.00 0.00 0.00 0.00 29.97 30.79 2x6i h ARG 595 CO 0.14 0.25 0.23 0.78 0.00 0.00 0.00 179.97 181.38 2x6i h GLY 596 N 0.40 0.54 0.92 0.04 0.00 -0.88 0.38 103.07 104.47 2x6i h GLY 596 Ca 0.62 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.70 2x6i h GLY 596 CO -0.33 0.21 0.10 -2.22 0.00 0.00 0.00 176.54 174.30 2x6i h ILE 597 N 0.50 1.21 0.29 2.60 2.04 0.10 -1.88 117.51 122.37 2x6i h ILE 597 Ca 0.14 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.32 2x6i h ILE 597 Cb -0.02 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.06 2x6i h ILE 597 CO -0.03 0.23 -0.29 0.15 0.00 0.00 0.00 178.15 178.21 2x6i h PHE 598 N 0.39 -0.79 -0.47 1.37 3.57 -0.41 0.94 116.94 121.54 2x6i h PHE 598 Ca 0.11 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.71 2x6i h PHE 598 Cb 0.26 0.31 -0.10 0.00 2.79 0.00 0.00 35.95 39.21 2x6i h PHE 598 CO 0.01 -0.42 -0.17 -0.92 -2.23 0.00 0.00 178.31 174.57 2x6i h TYR 599 N -0.62 -0.41 -0.65 0.41 -0.00 -0.19 -0.04 116.97 115.47 2x6i h TYR 599 Ca -0.01 0.05 0.12 0.00 -0.00 0.00 0.00 58.73 58.89 2x6i h TYR 599 Cb 0.57 0.25 -0.09 0.00 -0.00 0.00 0.00 36.73 37.46 2x6i h TYR 599 CO -0.19 -0.26 0.19 -0.91 -0.00 0.00 0.00 178.16 177.00 2x6i h ASN 600 N -0.07 0.11 -0.97 -2.11 2.35 -0.73 -1.04 115.58 113.13 2x6i h ASN 600 Ca 0.23 0.11 0.04 0.00 -0.55 0.00 0.00 56.30 56.13 2x6i h ASN 600 Cb 0.42 0.12 -0.06 0.00 0.05 0.00 0.00 38.32 38.85 2x6i h ASN 600 CO -0.52 0.05 0.63 -0.07 -1.65 0.00 0.00 177.43 175.87 2x6i h LEU 601 N 0.33 1.04 0.13 1.61 3.38 0.10 -0.93 115.31 120.98 2x6i h LEU 601 Ca 0.35 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 2x6i h LEU 601 Cb 0.51 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2x6i h LEU 601 CO -0.40 0.70 -0.06 0.03 0.09 0.00 0.00 178.44 178.80 2x6i h ARG 602 N 1.20 -0.17 -0.50 1.13 3.08 -0.28 -1.93 114.38 116.92 2x6i h ARG 602 Ca 0.39 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.53 2x6i h ARG 602 Cb 0.04 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.07 2x6i h ARG 602 CO -0.13 -0.08 0.14 0.87 -1.07 0.00 0.00 179.97 179.70 2x6i h LYS 603 N -0.21 0.28 0.15 0.04 1.57 -0.76 -0.55 116.57 117.09 2x6i h LYS 603 Ca -0.02 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2x6i h LYS 603 Cb 0.17 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 2x6i h LYS 603 CO 0.03 0.19 -0.26 1.96 -0.57 0.00 0.00 179.45 180.80 2x6i h GLN 604 N 0.29 -0.46 0.56 3.15 4.20 -1.02 -1.89 115.11 119.93 2x6i h GLN 604 Ca 0.24 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.97 2x6i h GLN 604 Cb 0.30 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 2x6i h GLN 604 CO -0.28 -0.31 -0.36 -0.09 -0.67 0.00 0.00 178.83 177.12 2x6i h ARG 605 N -0.48 -0.84 -0.96 1.46 2.43 -0.75 -1.17 114.38 114.06 2x6i h ARG 605 Ca 0.02 0.06 0.31 0.00 -0.81 0.00 0.00 59.98 59.56 2x6i h ARG 605 Cb 0.49 0.19 -0.17 0.00 -0.42 0.00 0.00 29.97 30.07 2x6i h ARG 605 CO -0.13 -0.56 0.32 0.00 -1.51 0.00 0.00 179.97 178.09 2x6i h ARG 606 N -0.88 0.11 -0.36 0.20 3.08 -1.05 0.32 114.38 115.81 2x6i h ARG 606 Ca -0.07 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 59.82 2x6i h ARG 606 Cb 0.72 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 2x6i h ARG 606 CO 0.05 0.07 -0.40 0.35 -1.07 0.00 0.00 179.97 178.98 2x6i h PHE 607 N 0.11 1.06 -0.48 3.04 3.04 -0.43 -2.74 116.94 120.54 2x6i h PHE 607 Ca 0.68 -0.32 -0.07 0.00 3.98 0.00 0.00 57.97 62.23 2x6i h PHE 607 Cb 1.56 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 39.83 2x6i h PHE 607 CO -0.22 1.13 0.01 0.82 -2.02 0.00 0.00 178.31 178.03 2x6i h ILE 608 N 0.72 1.26 -0.16 1.41 1.08 0.76 -1.69 117.51 120.88 2x6i h ILE 608 Ca 0.06 -1.05 -0.07 0.00 -0.39 0.00 0.00 64.86 63.40 2x6i h ILE 608 Cb 0.98 0.99 -0.01 0.00 -3.07 0.00 0.00 36.82 35.71 2x6i h ILE 608 CO 0.10 0.37 -0.22 0.44 -0.69 0.00 0.00 178.15 178.14 2x6i h ASP 609 N 0.70 0.28 -0.12 1.72 5.19 -1.29 0.99 116.42 123.88 2x6i h ASP 609 Ca 0.14 -0.08 -0.11 0.00 -0.62 0.00 0.00 57.03 56.36 2x6i h ASP 609 Cb 0.50 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.94 2x6i h ASP 609 CO 0.02 0.51 -0.35 -0.33 -3.12 0.00 0.00 179.24 175.97 2x6i h GLU 610 N 0.26 0.45 -0.60 3.56 4.39 -1.17 -1.93 114.58 119.54 2x6i h GLU 610 Ca 0.04 -0.32 -0.05 0.00 0.34 0.00 0.00 59.36 59.37 2x6i h GLU 610 Cb 0.53 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.21 2x6i h GLU 610 CO 0.04 0.94 0.18 1.25 -1.16 0.00 0.00 179.01 180.26 2x6i h LEU 611 N 0.05 0.84 0.15 1.33 6.46 -1.08 -2.55 115.31 120.51 2x6i h LEU 611 Ca -0.01 -0.14 -0.00 0.00 -0.12 0.00 0.00 57.88 57.61 2x6i h LEU 611 Cb 0.97 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.67 2x6i h LEU 611 CO 0.08 0.80 -0.11 0.58 -0.62 0.00 0.00 178.44 179.17 2x6i h VAL 612 N 0.88 0.76 -0.21 1.05 2.07 -0.70 -0.28 116.25 119.82 2x6i h VAL 612 Ca 0.20 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.73 2x6i h VAL 612 Cb 0.26 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2x6i h VAL 612 CO -0.01 0.00 0.11 0.11 0.02 0.00 0.00 177.57 177.80 2x6i h LYS 613 N -0.26 0.22 -0.37 1.57 1.57 -1.33 0.79 116.57 118.77 2x6i h LYS 613 Ca -0.01 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 2x6i h LYS 613 Cb 0.23 -0.05 -0.06 0.00 0.08 0.00 0.00 32.23 32.43 2x6i h LYS 613 CO -0.00 0.15 -0.02 1.25 -0.57 0.00 0.00 179.45 180.25 2x6i h LEU 614 N 0.23 -0.20 -0.67 2.94 5.85 -1.40 -0.45 115.31 121.61 2x6i h LEU 614 Ca 0.08 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.93 2x6i h LEU 614 Cb 0.01 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 2x6i h LEU 614 CO -0.05 -0.06 0.41 0.58 -0.34 0.00 0.00 178.44 178.98 2x6i h VAL 615 N 0.07 1.07 -0.80 1.05 2.07 -0.71 -1.06 116.25 117.94 2x6i h VAL 615 Ca 0.18 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 67.50 2x6i h VAL 615 Cb 0.26 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 2x6i h VAL 615 CO -0.32 0.15 0.52 0.11 0.02 0.00 0.00 177.57 178.05 2x6i h LYS 616 N 0.80 0.81 0.00 1.57 1.57 -0.32 -1.71 116.57 119.29 2x6i h LYS 616 Ca 0.27 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2x6i h LYS 616 Cb 0.04 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.17 2x6i h LYS 616 CO -0.12 0.53 0.00 1.28 -0.57 0.00 0.00 179.45 180.58 2x6i n LEU 617 N -4.49 0.79 0.02 2.94 4.77 -0.23 -1.70 117.00 119.11 2x6i n LEU 617 Ca 0.12 0.61 -0.10 0.00 -0.03 0.00 0.00 56.01 56.61 2x6i n LEU 617 Cb 0.25 -0.40 -0.13 0.00 -2.33 0.00 0.00 43.42 40.80 2x6i n LEU 617 CO 0.33 -0.32 -0.27 0.58 -1.33 0.00 0.00 177.39 176.38 2x6i h VAL 618 N 0.00 1.19 0.18 4.08 2.07 -0.59 -3.35 116.25 119.83 2x6i h VAL 618 Ca 0.00 -2.95 -0.31 0.00 0.82 0.00 0.00 66.70 64.27 2x6i h VAL 618 Cb 0.62 2.64 0.03 0.00 -1.52 0.00 0.00 31.29 33.06 2x6i h VAL 618 CO 0.00 0.73 -1.31 0.00 0.02 0.00 0.00 177.57 177.01 2x6i h ALA 619 N 0.85 -0.09 -1.02 1.67 0.00 -1.45 -3.31 119.26 115.91 2x6i h ALA 619 Ca -0.19 -0.80 0.25 0.00 0.00 0.00 0.00 54.91 54.16 2x6i h ALA 619 Cb 1.94 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 19.76 2x6i h ALA 619 CO 0.11 0.65 0.64 0.87 0.00 0.00 0.00 179.25 181.52 2x6i h LYS 620 N 0.15 0.49 -6.50 0.00 1.57 -1.49 -3.38 116.57 107.41 2x6i h LYS 620 Ca -0.22 -0.03 -0.53 0.00 -1.87 0.00 0.00 60.65 58.00 2x6i h LYS 620 Cb 2.00 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 34.21 2x6i h LYS 620 CO 0.25 0.32 0.54 -2.00 -0.57 0.00 0.00 179.45 177.99 2x6i s GLU 621 N -5.62 4.45 0.79 3.15 2.12 -1.25 -5.06 118.70 117.28 2x6i s GLU 621 Ca -0.10 1.75 -0.07 0.00 0.36 0.00 0.00 54.97 56.91 2x6i s GLU 621 Cb 0.26 -3.34 0.13 0.00 0.26 0.00 0.00 34.13 31.43 2x6i s GLU 621 CO 0.80 -0.21 1.09 -1.25 -0.54 0.00 0.00 175.26 175.15 2x6i s PRO 622 N 0.88 1.52 0.00 4.30 0.05 -1.26 -5.00 135.00 135.50 2x6i s PRO 622 Ca 0.57 -0.66 0.00 0.00 0.05 0.00 0.00 61.00 60.96 2x6i s PRO 622 Cb -0.29 -2.14 0.00 0.00 0.05 0.00 0.00 34.50 32.12 2x6i s PRO 622 CO 0.30 -1.67 0.00 0.41 0.05 0.00 0.00 177.00 176.09 2x6i n GLY 623 N -3.13 0.72 3.71 0.56 0.00 -1.26 -4.94 105.19 100.85 2x6i n GLY 623 Ca 0.13 -2.17 -0.34 0.00 0.00 0.00 0.00 46.02 43.64 2x6i n GLY 623 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2x6i s ASN 624 N -2.09 3.97 0.24 1.61 2.47 -1.26 -4.89 114.94 114.98 2x6i s ASN 624 Ca 0.00 2.35 -0.04 0.00 0.42 0.00 0.00 52.86 55.59 2x6i s ASN 624 Cb 0.00 -2.59 0.43 0.00 -1.45 0.00 0.00 41.25 37.64 2x6i s ASN 624 CO 0.00 -2.41 1.77 -0.09 -3.72 0.00 0.00 177.10 172.65 2x6i h ARG 625 N -0.56 0.61 -1.01 0.43 2.43 -2.00 -2.15 114.38 112.14 2x6i h ARG 625 Ca -0.47 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 58.70 2x6i h ARG 625 Cb 1.29 -0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.65 2x6i h ARG 625 CO 0.48 0.41 0.66 -0.91 -1.51 0.00 0.00 179.97 179.10 2x6i h ASN 626 N 0.63 1.10 -0.05 -3.80 4.21 -1.98 -2.52 115.58 113.18 2x6i h ASN 626 Ca 0.41 -0.01 -0.05 0.00 1.21 0.00 0.00 56.30 57.86 2x6i h ASN 626 Cb 0.50 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.43 2x6i h ASN 626 CO -0.31 0.75 -0.08 0.11 -1.29 0.00 0.00 177.43 176.61 2x6i h LYS 627 N 1.27 0.30 0.00 0.81 1.57 -1.76 -2.10 116.57 116.66 2x6i h LYS 627 Ca 0.40 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.97 2x6i h LYS 627 Cb 0.00 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2x6i h LYS 627 CO -0.13 0.40 -0.71 0.87 -0.57 0.00 0.00 179.45 179.32 2x6i h LYS 628 N 0.29 0.00 0.17 3.15 1.57 -1.18 -2.77 116.57 117.80 2x6i h LYS 628 Ca 0.06 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.54 2x6i h LYS 628 Cb 0.33 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.68 2x6i h LYS 628 CO 0.02 0.71 -1.28 1.79 -0.57 0.00 0.00 179.45 180.12 2x6i h THR 629 N 0.00 1.30 -0.50 -0.16 1.35 -1.20 -1.97 112.91 111.74 2x6i h THR 629 Ca -0.01 -2.53 -0.05 0.00 -0.55 0.00 0.00 66.41 63.27 2x6i h THR 629 Cb 1.54 2.85 -0.02 0.00 -1.73 0.00 0.00 68.15 70.79 2x6i h THR 629 CO 0.09 0.76 0.09 -0.33 -0.25 0.00 0.00 175.52 175.89 2x6i h GLU 630 N 0.17 0.77 -0.75 4.72 5.08 -1.49 -0.74 114.58 122.34 2x6i h GLU 630 Ca -0.21 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 57.93 2x6i h GLU 630 Cb 1.97 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 31.07 2x6i h GLU 630 CO 0.24 0.72 0.25 -0.22 -1.00 0.00 0.00 179.01 179.01 2x6i h LYS 631 N 0.74 1.15 -0.64 2.33 1.63 -1.53 -2.66 116.57 117.59 2x6i h LYS 631 Ca 0.16 -0.23 -0.05 0.00 -0.85 0.00 0.00 60.65 59.68 2x6i h LYS 631 Cb 0.32 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.75 2x6i h LYS 631 CO 0.00 0.96 0.20 0.35 -3.45 0.00 0.00 179.45 177.52 2x6i h PHE 632 N 1.11 1.02 -0.47 1.91 3.04 -0.47 -1.72 116.94 121.36 2x6i h PHE 632 Ca 0.25 -0.10 -0.08 0.00 3.98 0.00 0.00 57.97 62.01 2x6i h PHE 632 Cb 0.28 -0.30 -0.02 0.00 2.56 0.00 0.00 35.95 38.48 2x6i h PHE 632 CO 0.02 0.83 -0.03 1.96 -2.02 0.00 0.00 178.31 179.08 2x6i h GLN 633 N 0.91 0.85 -0.02 1.11 4.20 -1.07 -2.92 115.11 118.17 2x6i h GLN 633 Ca 0.21 -0.28 -0.14 0.00 0.06 0.00 0.00 58.65 58.50 2x6i h GLN 633 Cb 0.29 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 2x6i h GLN 633 CO -0.01 0.91 -0.62 0.87 -0.67 0.00 0.00 178.83 179.32 2x6i h LYS 634 N 0.70 0.09 -0.67 1.46 1.57 -1.39 -1.40 116.57 116.92 2x6i h LYS 634 Ca 0.13 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 2x6i h LYS 634 Cb 0.54 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 2x6i h LYS 634 CO 0.03 0.67 0.13 -0.07 -0.57 0.00 0.00 179.45 179.64 2x6i h LEU 635 N 0.06 1.05 0.01 2.94 -0.00 -1.24 -2.24 115.31 115.89 2x6i h LEU 635 Ca -0.01 -0.24 -0.22 0.00 -0.00 0.00 0.00 57.88 57.41 2x6i h LEU 635 Cb 1.10 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 41.46 2x6i h LEU 635 CO 0.09 1.03 -1.04 -0.07 -0.00 0.00 0.00 178.44 178.44 2x6i h LEU 636 N 1.03 0.08 -0.15 1.67 3.38 -1.47 -3.35 115.31 116.51 2x6i h LEU 636 Ca 0.21 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 2x6i h LEU 636 Cb 0.41 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2x6i h LEU 636 CO 0.01 1.06 -0.05 0.00 0.09 0.00 0.00 178.44 179.55 2x6i h ALA 637 N 0.93 0.21 -1.23 1.53 0.00 -1.10 -3.30 119.26 116.29 2x6i h ALA 637 Ca -0.03 -0.25 -0.47 0.00 0.00 0.00 0.00 54.91 54.16 2x6i h ALA 637 Cb 1.80 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.48 2x6i h ALA 637 CO 0.14 -0.02 1.16 -2.00 0.00 0.00 0.00 179.25 178.53 2x6i s GLU 638 N -4.67 2.82 0.53 0.00 2.56 -0.86 -4.80 118.70 114.28 2x6i s GLU 638 Ca -0.14 0.04 -0.20 0.00 0.00 0.00 0.00 54.97 54.67 2x6i s GLU 638 Cb 0.05 -4.62 -0.09 0.00 2.00 0.00 0.00 34.13 31.48 2x6i s GLU 638 CO 0.73 -2.73 0.74 1.04 -0.56 0.00 0.00 175.26 174.48 2x6i n GLN 639 N 9.11 0.79 -0.77 4.30 1.13 -1.26 -3.77 117.38 126.91 2x6i n GLN 639 Ca 0.23 0.30 0.00 0.00 -1.94 0.00 0.00 57.00 55.59 2x6i n GLN 639 Cb 0.50 -1.86 0.00 0.00 0.11 0.00 0.00 30.24 28.99 2x6i n GLN 639 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2x6i n ASP 640 N 0.28 -1.40 0.05 1.08 -0.08 -1.26 -4.79 116.55 110.43 2x6i n ASP 640 Ca 0.12 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.34 2x6i n ASP 640 Cb 0.45 -1.84 0.14 0.00 2.34 0.00 0.00 41.12 42.20 2x6i n ASP 640 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2x6i h MET 641 N 0.87 0.39 -5.79 -0.67 -0.00 -1.90 -3.41 114.93 104.41 2x6i h MET 641 Ca 0.00 -0.22 -0.66 0.00 -0.00 0.00 0.00 59.70 58.82 2x6i h MET 641 Cb 0.18 0.01 -0.08 0.00 -0.00 0.00 0.00 31.60 31.71 2x6i h MET 641 CO 0.00 0.78 -0.52 -0.06 -0.00 0.00 0.00 176.91 177.12 2x6i s PHE 642 N -4.07 3.47 0.52 -0.10 0.40 -1.26 -5.02 117.98 111.92 2x6i s PHE 642 Ca -0.06 0.38 0.18 0.00 -0.60 0.00 0.00 56.93 56.83 2x6i s PHE 642 Cb 0.12 -1.85 1.33 0.00 0.51 0.00 0.00 43.02 43.13 2x6i s PHE 642 CO 0.80 0.65 2.15 1.57 0.70 0.00 0.00 175.22 181.09 2x6i h LYS 643 N 4.54 0.00 -6.02 0.44 -0.00 -2.00 -3.26 116.57 110.28 2x6i h LYS 643 Ca -0.52 0.00 -0.58 0.00 -0.00 0.00 0.00 60.65 59.55 2x6i h LYS 643 Cb 1.21 0.00 -0.06 0.00 -0.00 0.00 0.00 32.23 33.37 2x6i h LYS 643 CO 0.61 0.01 0.64 0.08 -0.00 0.00 0.00 179.45 180.80 2x6i s VAL 644 N -4.97 4.76 -0.17 0.07 1.01 -1.26 -4.99 120.40 114.86 2x6i s VAL 644 Ca -0.05 1.87 -0.20 0.00 0.00 0.00 0.00 61.98 63.61 2x6i s VAL 644 Cb 0.17 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 2x6i s VAL 644 CO 0.65 -0.11 0.56 0.21 0.00 0.00 0.00 175.10 176.42 2x6i s ASN 645 N 1.22 6.67 0.21 3.32 2.47 -1.23 -4.71 114.94 122.88 2x6i s ASN 645 Ca 0.42 0.81 0.13 0.00 0.42 0.00 0.00 52.86 54.63 2x6i s ASN 645 Cb -0.16 -2.32 -0.03 0.00 -1.45 0.00 0.00 41.25 37.29 2x6i s ASN 645 CO 0.09 -0.16 1.33 -0.26 -3.72 0.00 0.00 177.10 174.37 2x6i h PHE 646 N 7.22 0.00 0.00 0.43 -1.00 -1.89 -3.25 116.94 118.46 2x6i h PHE 646 Ca -0.35 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.43 2x6i h PHE 646 Cb 1.16 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.72 2x6i h PHE 646 CO 0.68 0.65 -0.29 0.25 -1.61 0.00 0.00 178.31 177.99 2x6i n THR 647 N -3.22 0.32 -3.64 -1.55 -2.24 -1.24 -2.00 114.28 100.70 2x6i n THR 647 Ca -0.00 -0.19 -0.07 0.00 -2.27 0.00 0.00 64.05 61.52 2x6i n THR 647 Cb 0.81 -0.29 -0.07 0.00 -2.10 0.00 0.00 70.33 68.68 2x6i n THR 647 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2x6i s ASN 648 N -3.93 -0.73 0.35 3.42 3.84 -1.23 -4.76 114.94 111.91 2x6i s ASN 648 Ca 0.10 1.24 -0.01 0.00 0.21 0.00 0.00 52.86 54.39 2x6i s ASN 648 Cb 0.15 1.29 0.01 0.00 -0.55 0.00 0.00 41.25 42.14 2x6i s ASN 648 CO 0.64 -0.20 0.48 2.22 -2.79 0.00 0.00 177.10 177.45 2x6i n PHE 649 N 3.60 -1.42 -2.43 0.43 1.16 -0.94 -4.32 117.46 113.54 2x6i n PHE 649 Ca -0.18 -2.41 -0.40 0.00 -1.87 0.00 0.00 57.45 52.59 2x6i n PHE 649 Cb 0.58 0.54 -0.04 0.00 -1.61 0.00 0.00 39.48 38.95 2x6i n PHE 649 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 2x6i s GLU 650 N -2.85 4.55 -0.47 3.97 2.02 -1.26 -4.66 118.70 120.01 2x6i s GLU 650 Ca 0.30 1.84 -0.45 0.00 0.02 0.00 0.00 54.97 56.68 2x6i s GLU 650 Cb -0.01 -3.11 -0.19 0.00 0.10 0.00 0.00 34.13 30.93 2x6i s GLU 650 CO 0.22 0.12 1.83 -2.30 0.02 0.00 0.00 175.26 175.14 2x6i n PRO 651 N 1.01 0.20 -5.17 0.39 -0.02 -1.25 -4.79 135.00 125.37 2x6i n PRO 651 Ca -0.00 0.07 -0.31 0.00 -2.02 0.00 0.00 63.50 61.24 2x6i n PRO 651 Cb 0.45 -1.63 -0.15 0.00 -0.02 0.00 0.00 33.50 32.15 2x6i n PRO 651 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2x6i s ILE 652 N 4.29 2.17 -0.01 4.25 1.01 -0.52 -4.92 121.20 127.47 2x6i s ILE 652 Ca 1.09 -1.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.29 2x6i s ILE 652 Cb -1.41 -1.78 -0.05 0.00 0.01 0.00 0.00 42.46 39.23 2x6i s ILE 652 CO 0.73 0.52 1.29 -2.16 0.00 0.00 0.00 174.94 175.33 2x6i s PRO 653 N -0.79 4.33 -0.02 2.79 0.04 -1.26 0.15 135.00 140.24 2x6i s PRO 653 Ca 0.11 1.83 -0.35 0.00 0.04 0.00 0.00 61.00 62.62 2x6i s PRO 653 Cb -0.10 -3.52 -0.14 0.00 0.04 0.00 0.00 34.50 30.78 2x6i s PRO 653 CO 0.00 -0.48 1.69 0.34 0.04 0.00 0.00 177.00 178.60 2x6i n PHE 654 N 5.06 2.16 -0.22 0.56 -0.00 -0.46 -4.88 117.46 119.68 2x6i n PHE 654 Ca 0.12 0.25 0.03 0.00 -0.00 0.00 0.00 57.45 57.84 2x6i n PHE 654 Cb 0.45 -2.55 0.28 0.00 -0.00 0.00 0.00 39.48 37.66 2x6i n PHE 654 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 2x6i h PRO 655 N 7.26 0.91 0.16 -7.13 0.13 -1.93 -2.78 132.00 128.62 2x6i h PRO 655 Ca -0.47 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.60 2x6i h PRO 655 Cb 1.28 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2x6i h PRO 655 CO 0.91 0.60 -0.08 1.25 -0.23 0.00 0.00 178.00 180.45 2x6i h LEU 656 N 0.93 -0.19 -7.79 1.56 6.46 -1.96 -3.40 115.31 110.92 2x6i h LEU 656 Ca 0.30 -0.21 -0.67 0.00 -0.12 0.00 0.00 57.88 57.18 2x6i h LEU 656 Cb 0.04 0.05 -0.38 0.00 -0.73 0.00 0.00 40.66 39.64 2x6i h LEU 656 CO -0.09 0.12 -0.77 -0.62 -0.62 0.00 0.00 178.44 176.47 2x6i s ASP 657 N -5.25 4.58 0.37 1.25 3.68 -1.14 -4.88 116.67 115.28 2x6i s ASP 657 Ca -0.15 -1.71 0.07 0.00 2.13 0.00 0.00 52.55 52.89 2x6i s ASP 657 Cb 0.03 -1.58 0.72 0.00 -1.45 0.00 0.00 42.92 40.64 2x6i s ASP 657 CO 0.61 -0.27 1.92 -0.65 0.13 0.00 0.00 175.17 176.91 2x6i h PRO 658 N 7.71 0.40 -0.51 4.34 0.11 -1.71 -3.13 132.00 139.20 2x6i h PRO 658 Ca -0.13 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 65.88 2x6i h PRO 658 Cb 1.03 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 2x6i h PRO 658 CO 0.48 0.45 0.20 0.93 -0.21 0.00 0.00 178.00 179.85 2x6i h GLU 659 N 0.38 0.74 -6.61 1.05 5.08 -1.96 -3.39 114.58 109.88 2x6i h GLU 659 Ca 0.08 -0.11 -0.52 0.00 -1.00 0.00 0.00 59.36 57.82 2x6i h GLU 659 Cb 0.29 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2x6i h GLU 659 CO 0.01 0.61 0.44 0.42 -1.00 0.00 0.00 179.01 179.50 2x6i s ILE 660 N -5.34 4.10 0.02 3.13 1.09 -1.18 -4.98 121.20 118.05 2x6i s ILE 660 Ca -0.09 1.76 -0.08 0.00 -1.10 0.00 0.00 60.65 61.14 2x6i s ILE 660 Cb 0.16 -4.12 -0.05 0.00 -1.06 0.00 0.00 42.46 37.39 2x6i s ILE 660 CO 0.78 0.28 0.31 -0.31 -0.10 0.00 0.00 174.94 175.89 2x6i s TYR 661 N -0.04 3.59 -0.09 3.97 2.02 -1.26 -1.36 117.35 124.17 2x6i s TYR 661 Ca 0.49 0.65 0.03 0.00 -0.37 0.00 0.00 57.07 57.87 2x6i s TYR 661 Cb -0.27 -2.05 -0.01 0.00 -0.40 0.00 0.00 41.96 39.23 2x6i s TYR 661 CO 0.33 0.59 -0.18 0.96 -1.57 0.00 0.00 175.55 175.68 2x6i s ILE 662 N -1.31 2.67 -0.15 2.71 -4.36 0.40 -0.40 121.20 120.76 2x6i s ILE 662 Ca 0.29 -0.82 -0.11 0.00 -0.26 0.00 0.00 60.65 59.74 2x6i s ILE 662 Cb -0.14 -2.06 -0.06 0.00 1.25 0.00 0.00 42.46 41.45 2x6i s ILE 662 CO 0.16 0.55 -0.07 0.71 0.24 0.00 0.00 174.94 176.53 2x6i h THR 663 N 5.16 0.21 -3.57 8.37 1.35 -1.55 -1.39 112.91 121.50 2x6i h THR 663 Ca -0.30 -1.26 -0.04 0.00 -0.55 0.00 0.00 66.41 64.26 2x6i h THR 663 Cb 1.20 0.49 -0.09 0.00 -1.73 0.00 0.00 68.15 68.02 2x6i h THR 663 CO 0.51 0.07 -0.08 -1.59 -0.25 0.00 0.00 175.52 174.19 2x6i s LYS 664 N -2.21 1.57 0.70 4.72 -2.85 -1.26 -2.21 119.74 118.20 2x6i s LYS 664 Ca -0.17 -1.21 -0.06 0.00 -1.00 0.00 0.00 55.97 53.54 2x6i s LYS 664 Cb 0.03 0.49 0.08 0.00 -2.06 0.00 0.00 37.83 36.36 2x6i s LYS 664 CO 0.28 -0.66 1.00 0.42 0.10 0.00 0.00 175.35 176.50 2x6i s ILE 665 N -4.00 2.29 -0.20 3.79 1.01 -0.85 -0.86 121.20 122.38 2x6i s ILE 665 Ca 0.21 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.53 2x6i s ILE 665 Cb -0.01 -2.95 0.03 0.00 0.01 0.00 0.00 42.46 39.54 2x6i s ILE 665 CO 0.08 0.00 -0.15 -0.69 0.00 0.00 0.00 174.94 174.19 2x6i s VAL 666 N -3.22 1.90 0.03 2.92 1.01 -1.01 -4.71 120.40 117.32 2x6i s VAL 666 Ca 0.62 -1.04 -0.20 0.00 0.00 0.00 0.00 61.98 61.35 2x6i s VAL 666 Cb -0.10 -1.84 -0.16 0.00 0.00 0.00 0.00 36.38 34.28 2x6i s VAL 666 CO 0.44 0.32 1.29 -0.65 0.00 0.00 0.00 175.10 176.51 2x6i h PRO 667 N 7.93 0.38 -0.21 2.72 0.11 -1.90 -3.11 132.00 137.92 2x6i h PRO 667 Ca -0.35 -0.24 0.06 0.00 0.11 0.00 0.00 66.00 65.58 2x6i h PRO 667 Cb 1.11 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2x6i h PRO 667 CO 0.55 0.83 0.26 0.52 -0.21 0.00 0.00 178.00 179.94 2x6i h MET 668 N -0.02 0.00 0.00 1.05 2.86 -1.97 -2.68 114.93 114.16 2x6i h MET 668 Ca 0.01 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.44 2x6i h MET 668 Cb 0.81 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.43 2x6i h MET 668 CO 0.05 0.00 -1.20 0.00 1.06 0.00 0.00 176.91 176.82 2x6i h ARG 669 N 0.00 0.00 -6.52 1.72 3.08 -1.96 -3.46 114.38 107.24 2x6i h ARG 669 Ca 0.10 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.60 2x6i h ARG 669 Cb 0.61 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.71 2x6i h ARG 669 CO -0.00 0.64 1.00 -2.37 -1.07 0.00 0.00 179.97 178.17 2x6i n THR 670 N -3.16 0.21 -4.31 2.04 5.66 -1.01 -4.77 114.28 108.94 2x6i n THR 670 Ca -0.06 -0.04 -0.19 0.00 -3.05 0.00 0.00 64.05 60.71 2x6i n THR 670 Cb 0.92 -1.91 -0.11 0.00 -1.55 0.00 0.00 70.33 67.69 2x6i n THR 670 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2x6i s SER 671 N 2.04 2.44 -0.10 1.09 1.04 -0.87 -4.93 113.70 114.41 2x6i s SER 671 Ca 0.81 -0.92 0.02 0.00 0.48 0.00 0.00 55.95 56.34 2x6i s SER 671 Cb -0.56 -0.12 -0.01 0.00 0.10 0.00 0.00 66.02 65.42 2x6i s SER 671 CO 0.38 -0.13 -0.17 -0.22 0.98 0.00 0.00 173.24 174.08 2x6i s LEU 672 N -2.89 2.50 0.47 2.42 0.20 -1.26 -1.16 118.68 118.95 2x6i s LEU 672 Ca 0.17 -0.38 -0.19 0.00 0.69 0.00 0.00 54.13 54.41 2x6i s LEU 672 Cb -0.03 -1.52 -0.10 0.00 -0.43 0.00 0.00 46.19 44.11 2x6i s LEU 672 CO 0.06 0.21 0.98 -0.36 -0.29 0.00 0.00 176.35 176.94 2x6i s PHE 673 N 0.09 3.29 0.54 5.38 0.08 -0.56 -4.99 117.98 121.81 2x6i s PHE 673 Ca -0.08 1.56 0.22 0.00 0.12 0.00 0.00 56.93 58.76 2x6i s PHE 673 Cb -0.15 -2.87 1.43 0.00 -0.57 0.00 0.00 43.02 40.86 2x6i s PHE 673 CO 0.05 -0.32 2.11 1.57 -0.10 0.00 0.00 175.22 178.54 2x6i h LYS 674 N 1.54 0.00 -6.36 0.44 2.10 -1.96 -3.40 116.57 108.92 2x6i h LYS 674 Ca -0.48 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 57.56 2x6i h LYS 674 Cb 1.19 0.00 0.14 0.00 -0.90 0.00 0.00 32.23 32.66 2x6i h LYS 674 CO 0.61 0.00 -0.30 0.45 -2.00 0.00 0.00 179.45 178.21 2x6i n SER 675 N -4.30 -0.47 0.09 7.07 2.88 -1.26 -4.94 113.62 112.68 2x6i n SER 675 Ca 0.01 0.96 -0.13 0.00 -1.33 0.00 0.00 58.87 58.38 2x6i n SER 675 Cb 0.26 -1.15 -0.06 0.00 -0.75 0.00 0.00 64.21 62.52 2x6i n SER 675 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2x6i h ALA 676 N 0.99 -0.50 -2.17 -1.46 0.00 -2.04 -3.27 119.26 110.80 2x6i h ALA 676 Ca -0.40 -0.03 -0.58 0.00 0.00 0.00 0.00 54.91 53.89 2x6i h ALA 676 Cb 1.39 0.54 -0.07 0.00 0.00 0.00 0.00 17.79 19.65 2x6i h ALA 676 CO 0.53 -0.84 0.66 -1.17 0.00 0.00 0.00 179.25 178.43 2x6i s LEU 677 N -10.32 4.11 -0.26 0.00 0.20 -1.26 -5.05 118.68 106.09 2x6i s LEU 677 Ca -0.16 1.27 -0.08 0.00 0.69 0.00 0.00 54.13 55.86 2x6i s LEU 677 Cb 0.08 -3.41 -0.02 0.00 -0.43 0.00 0.00 46.19 42.41 2x6i s LEU 677 CO 0.65 -0.59 0.08 0.00 -0.29 0.00 0.00 176.35 176.20 2x6i s MET 678 N 2.95 3.55 0.30 1.98 0.23 -1.24 -5.01 119.30 122.07 2x6i s MET 678 Ca 0.41 -0.55 -0.21 0.00 -1.03 0.00 0.00 55.69 54.31 2x6i s MET 678 Cb -0.15 -3.36 -0.09 0.00 -1.53 0.00 0.00 34.83 29.69 2x6i s MET 678 CO 0.08 -0.25 0.84 -1.25 -2.03 0.00 0.00 175.02 172.41 2x6i s PRO 679 N 1.60 4.33 -0.01 3.16 0.04 -1.26 -4.71 135.00 138.14 2x6i s PRO 679 Ca 0.06 1.03 -0.03 0.00 0.04 0.00 0.00 61.00 62.10 2x6i s PRO 679 Cb -0.16 -2.68 -0.04 0.00 0.04 0.00 0.00 34.50 31.66 2x6i s PRO 679 CO 0.04 0.26 0.18 0.00 0.04 0.00 0.00 177.00 177.51 2x6i s ALA 680 N -1.72 3.94 -0.31 8.56 0.00 -1.06 -1.50 121.76 129.67 2x6i s ALA 680 Ca 0.50 -0.76 -0.04 0.00 0.00 0.00 0.00 51.96 51.66 2x6i s ALA 680 Cb -0.15 -1.88 0.04 0.00 0.00 0.00 0.00 23.12 21.14 2x6i s ALA 680 CO 0.20 0.74 0.04 0.21 0.00 0.00 0.00 175.76 176.95 2x6i s LYS 681 N -1.89 2.53 -0.01 0.00 2.20 -0.31 -1.38 119.74 120.88 2x6i s LYS 681 Ca 0.26 -1.22 0.03 0.00 -0.36 0.00 0.00 55.97 54.69 2x6i s LYS 681 Cb -0.13 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 32.87 2x6i s LYS 681 CO 0.18 -0.63 -0.07 -0.48 -0.36 0.00 0.00 175.35 173.99 2x6i s LEU 682 N 1.32 3.15 0.22 5.43 -0.00 -1.04 -2.05 118.68 125.71 2x6i s LEU 682 Ca -0.04 -0.12 -0.17 0.00 -0.00 0.00 0.00 54.13 53.80 2x6i s LEU 682 Cb -0.20 -1.78 -0.08 0.00 -0.00 0.00 0.00 46.19 44.14 2x6i s LEU 682 CO 0.00 0.30 0.68 -0.89 -0.00 0.00 0.00 176.35 176.45 2x6i s THR 683 N -0.95 4.67 0.23 5.48 2.01 -1.26 -2.78 115.64 123.04 2x6i s THR 683 Ca 0.16 1.08 0.10 0.00 0.31 0.00 0.00 61.69 63.34 2x6i s THR 683 Cb -0.11 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.58 2x6i s THR 683 CO 0.06 0.13 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.58 2x6i s PHE 684 N -1.61 1.99 -0.11 4.92 2.99 -0.75 -2.41 117.98 122.99 2x6i s PHE 684 Ca 0.44 -0.45 -0.04 0.00 0.00 0.00 0.00 56.93 56.88 2x6i s PHE 684 Cb -0.15 -0.90 -0.04 0.00 0.00 0.00 0.00 43.02 41.93 2x6i s PHE 684 CO 0.20 0.51 0.05 0.14 -0.00 0.00 0.00 175.22 176.12 2x6i s VAL 685 N -2.63 4.72 0.36 -0.44 -7.23 -0.04 -2.26 120.40 112.88 2x6i s VAL 685 Ca 0.25 -0.08 -0.26 0.00 -1.81 0.00 0.00 61.98 60.07 2x6i s VAL 685 Cb -0.03 -3.04 -0.09 0.00 0.56 0.00 0.00 36.38 33.78 2x6i s VAL 685 CO 0.10 0.58 1.10 -0.89 -0.31 0.00 0.00 175.10 175.68 2x6i s THR 686 N -0.66 3.48 0.56 5.32 2.01 -0.84 -1.49 115.64 124.02 2x6i s THR 686 Ca 0.11 1.28 0.31 0.00 0.31 0.00 0.00 61.69 63.70 2x6i s THR 686 Cb -0.12 -3.73 0.45 0.00 0.01 0.00 0.00 72.50 69.12 2x6i s THR 686 CO 0.02 0.14 1.85 0.77 -0.69 0.00 0.00 174.62 176.72 2x6i h SER 687 N 2.96 0.00 -3.66 3.53 4.64 -1.05 -3.40 113.55 116.58 2x6i h SER 687 Ca -0.48 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.17 2x6i h SER 687 Cb 1.22 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.06 2x6i h SER 687 CO 0.64 0.00 -0.77 -0.51 -0.87 0.00 0.00 176.83 175.32 2x6i s ILE 688 N -4.82 3.05 -1.27 0.95 2.07 -1.26 -4.74 121.20 115.18 2x6i s ILE 688 Ca -0.05 -0.69 0.00 0.00 -1.41 0.00 0.00 60.65 58.50 2x6i s ILE 688 Cb 0.19 -2.24 0.00 0.00 0.13 0.00 0.00 42.46 40.55 2x6i s ILE 688 CO 0.69 0.56 0.00 0.00 -1.91 0.00 0.00 174.94 174.27 2x6i n ALA 689 N 2.95 -0.33 -2.30 1.50 0.00 -1.26 -2.89 120.51 118.17 2x6i n ALA 689 Ca -0.18 0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.36 2x6i n ALA 689 Cb 0.52 -1.58 -0.01 0.00 0.00 0.00 0.00 19.45 18.39 2x6i n ALA 689 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2x6i n HIS 690 N -3.51 -1.38 -1.41 0.00 8.25 -1.26 -4.90 115.22 111.00 2x6i n HIS 690 Ca -0.15 0.09 -0.34 0.00 -0.26 0.00 0.00 57.72 57.05 2x6i n HIS 690 Cb 0.56 -0.85 0.10 0.00 1.12 0.00 0.00 29.99 30.91 2x6i n HIS 690 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2x6i s HIS 691 N -1.69 2.03 0.13 4.41 4.02 -1.14 -4.92 115.29 118.12 2x6i s HIS 691 Ca 0.11 1.60 0.10 0.00 1.02 0.00 0.00 55.06 57.89 2x6i s HIS 691 Cb -0.06 -3.48 -0.04 0.00 -1.02 0.00 0.00 32.58 27.97 2x6i s HIS 691 CO 0.13 -2.65 -0.24 -1.83 1.02 0.00 0.00 174.74 171.17 2x6i s GLU 692 N -3.92 1.52 -0.09 1.40 -1.05 -1.26 -1.98 118.70 113.33 2x6i s GLU 692 Ca 0.75 -1.31 0.01 0.00 -0.15 0.00 0.00 54.97 54.27 2x6i s GLU 692 Cb -0.29 -1.96 0.02 0.00 -0.44 0.00 0.00 34.13 31.45 2x6i s GLU 692 CO 0.46 0.46 -0.10 -0.47 0.95 0.00 0.00 175.26 176.56 2x6i s TYR 693 N -1.12 1.48 -0.11 4.83 6.14 -0.96 -4.90 117.35 122.71 2x6i s TYR 693 Ca 0.16 -0.66 -0.06 0.00 0.64 0.00 0.00 57.07 57.15 2x6i s TYR 693 Cb -0.10 -1.16 -0.04 0.00 0.42 0.00 0.00 41.96 41.08 2x6i s TYR 693 CO 0.07 -0.41 0.12 0.00 0.64 0.00 0.00 175.55 175.97 2x6i s ALA 694 N 1.25 3.80 0.32 3.97 0.00 -1.26 -1.81 121.76 128.03 2x6i s ALA 694 Ca -0.03 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.29 2x6i s ALA 694 Cb -0.14 -1.89 -0.02 0.00 0.00 0.00 0.00 23.12 21.07 2x6i s ALA 694 CO -0.03 0.62 0.32 0.00 0.00 0.00 0.00 175.76 176.67 2x6i s ALA 695 N -1.03 1.52 -0.01 0.00 0.00 -1.12 -3.46 121.76 117.66 2x6i s ALA 695 Ca 0.16 -1.90 0.05 0.00 0.00 0.00 0.00 51.96 50.27 2x6i s ALA 695 Cb -0.12 1.39 -0.01 0.00 0.00 0.00 0.00 23.12 24.37 2x6i s ALA 695 CO 0.05 -0.69 -0.16 0.42 0.00 0.00 0.00 175.76 175.38 2x6i s ILE 696 N -3.39 1.24 -0.16 0.00 1.01 -0.75 -2.50 121.20 116.64 2x6i s ILE 696 Ca 0.38 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 60.32 2x6i s ILE 696 Cb 0.02 -1.04 0.02 0.00 0.01 0.00 0.00 42.46 41.47 2x6i s ILE 696 CO 0.25 0.31 -0.17 0.12 0.00 0.00 0.00 174.94 175.45 2x6i s PHE 697 N -0.42 2.47 -0.12 3.97 5.36 -0.48 -1.22 117.98 127.54 2x6i s PHE 697 Ca 0.06 -1.44 -0.03 0.00 -0.96 0.00 0.00 56.93 54.56 2x6i s PHE 697 Cb -0.06 -1.75 -0.03 0.00 -0.34 0.00 0.00 43.02 40.83 2x6i s PHE 697 CO -0.00 -0.74 -0.02 0.21 -1.46 0.00 0.00 175.22 173.21 2x6i s LYS 698 N 1.39 3.30 0.00 10.12 2.20 -0.94 -2.55 119.74 133.25 2x6i s LYS 698 Ca 0.05 -0.47 0.19 0.00 -0.36 0.00 0.00 55.97 55.38 2x6i s LYS 698 Cb -0.13 -2.84 -0.13 0.00 -1.51 0.00 0.00 37.83 33.23 2x6i s LYS 698 CO -0.12 0.48 0.88 -2.39 -0.36 0.00 0.00 175.35 173.84 2x6i n HIS 699 N 2.82 0.00 -0.08 4.03 1.44 -1.25 -2.53 115.22 119.65 2x6i n HIS 699 Ca -0.18 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.40 2x6i n HIS 699 Cb 0.53 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.57 2x6i n HIS 699 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 2x6i h GLY 700 N 4.39 0.00 -2.38 -1.39 0.00 -1.88 -3.41 103.07 98.38 2x6i h GLY 700 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.90 2x6i h GLY 700 CO 0.00 0.00 -0.67 0.51 0.00 0.00 0.00 176.54 176.38 2x6i s ASP 701 N -6.27 2.29 0.13 0.19 3.84 -1.25 -4.60 116.67 111.00 2x6i s ASP 701 Ca -0.20 -1.18 -0.31 0.00 -0.00 0.00 0.00 52.55 50.86 2x6i s ASP 701 Cb 0.03 -0.08 -0.09 0.00 -1.38 0.00 0.00 42.92 41.40 2x6i s ASP 701 CO 0.41 -0.40 1.56 -0.62 -0.00 0.00 0.00 175.17 176.12 2x6i s ASP 702 N -3.36 6.63 0.00 2.11 3.68 -1.26 -2.57 116.67 121.91 2x6i s ASP 702 Ca 0.27 2.53 0.18 0.00 2.13 0.00 0.00 52.55 57.66 2x6i s ASP 702 Cb 0.04 -2.58 0.35 0.00 -1.45 0.00 0.00 42.92 39.27 2x6i s ASP 702 CO 0.09 -0.81 1.27 0.18 0.13 0.00 0.00 175.17 176.04 2x6i n LEU 703 N 4.37 3.10 -0.25 -1.34 4.32 -1.26 -4.57 117.00 121.36 2x6i n LEU 703 Ca 0.14 -1.55 0.18 0.00 -0.02 0.00 0.00 56.01 54.76 2x6i n LEU 703 Cb 0.40 -0.21 0.49 0.00 -1.62 0.00 0.00 43.42 42.47 2x6i n LEU 703 CO 0.61 0.69 1.22 -0.09 -1.22 0.00 0.00 177.39 178.60 2x6i h ARG 704 N 3.49 0.44 0.24 3.23 2.43 -1.95 -0.99 114.38 121.27 2x6i h ARG 704 Ca 0.00 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2x6i h ARG 704 Cb 0.84 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 2x6i h ARG 704 CO 0.00 0.29 -0.12 0.37 -1.51 0.00 0.00 179.97 179.01 2x6i h GLN 705 N 0.46 -0.31 -0.81 0.20 4.15 -1.92 -2.18 115.11 114.69 2x6i h GLN 705 Ca 0.47 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.91 2x6i h GLN 705 Cb 1.11 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.83 2x6i h GLN 705 CO -0.19 -0.13 0.48 -0.44 -1.93 0.00 0.00 178.83 176.62 2x6i h ASP 706 N -0.43 0.98 -0.14 -0.69 5.19 -1.45 -1.84 116.42 118.05 2x6i h ASP 706 Ca -0.03 -0.07 -0.06 0.00 -0.62 0.00 0.00 57.03 56.24 2x6i h ASP 706 Cb 0.33 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.57 2x6i h ASP 706 CO 0.05 0.77 -0.09 0.06 -3.12 0.00 0.00 179.24 176.91 2x6i h GLN 707 N 1.12 0.47 -0.27 3.56 3.07 -1.21 -1.30 115.11 120.54 2x6i h GLN 707 Ca 0.29 -0.12 0.01 0.00 0.09 0.00 0.00 58.65 58.92 2x6i h GLN 707 Cb -0.03 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.46 2x6i h GLN 707 CO -0.05 0.56 0.17 1.25 0.09 0.00 0.00 178.83 180.85 2x6i h LEU 708 N 0.44 0.27 -1.19 0.06 6.46 -0.68 -0.58 115.31 120.09 2x6i h LEU 708 Ca 0.09 -0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 2x6i h LEU 708 Cb 0.43 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.26 2x6i h LEU 708 CO 0.02 0.20 0.40 0.40 -0.62 0.00 0.00 178.44 178.85 2x6i h ILE 709 N 0.34 1.20 -0.15 4.05 1.08 -0.97 -1.25 117.51 121.81 2x6i h ILE 709 Ca 0.10 -0.48 -0.16 0.00 -0.39 0.00 0.00 64.86 63.94 2x6i h ILE 709 Cb -0.01 0.23 -0.01 0.00 -3.07 0.00 0.00 36.82 33.96 2x6i h ILE 709 CO -0.04 0.22 -0.58 -0.07 -0.69 0.00 0.00 178.15 176.99 2x6i h LEU 710 N 0.97 0.53 -0.19 1.44 4.07 -0.74 0.26 115.31 121.66 2x6i h LEU 710 Ca 0.25 -0.30 0.04 0.00 0.08 0.00 0.00 57.88 57.95 2x6i h LEU 710 Cb -0.01 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 41.54 2x6i h LEU 710 CO -0.04 1.00 -0.03 -0.61 -1.08 0.00 0.00 178.44 177.67 2x6i h GLN 711 N 0.36 0.02 0.20 1.13 4.15 -0.66 0.37 115.11 120.68 2x6i h GLN 711 Ca 0.00 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2x6i h GLN 711 Cb 1.12 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.79 2x6i h GLN 711 CO 0.10 0.01 -0.18 0.52 -1.93 0.00 0.00 178.83 177.36 2x6i h MET 712 N 0.02 -0.39 -0.47 1.69 2.86 -0.76 0.44 114.93 118.32 2x6i h MET 712 Ca 0.09 0.03 0.09 0.00 -2.06 0.00 0.00 59.70 57.85 2x6i h MET 712 Cb 0.13 0.09 -0.09 0.00 0.06 0.00 0.00 31.60 31.79 2x6i h MET 712 CO -0.18 -0.26 -0.12 0.82 1.06 0.00 0.00 176.91 178.23 2x6i h ILE 713 N -0.40 0.53 0.05 -1.22 2.04 -0.30 0.15 117.51 118.35 2x6i h ILE 713 Ca -0.00 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.88 2x6i h ILE 713 Cb 0.37 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 2x6i h ILE 713 CO -0.03 0.00 -0.20 0.74 0.00 0.00 0.00 178.15 178.66 2x6i h THR 714 N -0.00 0.54 -0.34 -0.27 2.02 -0.32 0.62 112.91 115.16 2x6i h THR 714 Ca 0.23 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.48 2x6i h THR 714 Cb 0.35 0.54 -0.08 0.00 -1.74 0.00 0.00 68.15 67.22 2x6i h THR 714 CO -0.49 0.00 -0.16 0.25 0.37 0.00 0.00 175.52 175.49 2x6i h LEU 715 N -0.34 -0.55 -0.47 2.58 6.46 0.61 -1.46 115.31 122.14 2x6i h LEU 715 Ca 0.04 0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 57.91 2x6i h LEU 715 Cb 0.39 0.30 -0.02 0.00 -0.73 0.00 0.00 40.66 40.60 2x6i h LEU 715 CO -0.15 -0.20 0.21 0.24 -0.62 0.00 0.00 178.44 177.92 2x6i h MET 716 N -0.10 0.69 -0.53 1.25 2.86 0.15 -1.82 114.93 117.43 2x6i h MET 716 Ca 0.17 -0.11 0.08 0.00 -2.06 0.00 0.00 59.70 57.78 2x6i h MET 716 Cb 0.37 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.85 2x6i h MET 716 CO -0.41 0.60 0.18 0.22 1.06 0.00 0.00 176.91 178.56 2x6i h ASP 717 N 0.62 0.16 -0.43 1.22 3.58 -0.65 -1.86 116.42 119.06 2x6i h ASP 717 Ca 0.16 0.07 0.05 0.00 0.42 0.00 0.00 57.03 57.72 2x6i h ASP 717 Cb 0.16 0.06 -0.04 0.00 1.72 0.00 0.00 39.33 41.22 2x6i h ASP 717 CO -0.02 0.12 0.17 0.11 -2.88 0.00 0.00 179.24 176.74 2x6i h LYS 718 N 0.35 0.35 -0.41 0.28 1.57 -0.46 0.32 116.57 118.57 2x6i h LYS 718 Ca 0.26 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 2x6i h LYS 718 Cb 0.30 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2x6i h LYS 718 CO -0.27 0.23 0.20 -0.07 -0.57 0.00 0.00 179.45 178.97 2x6i h LEU 719 N 0.36 0.54 -0.93 2.94 3.38 -1.11 -0.05 115.31 120.44 2x6i h LEU 719 Ca 0.19 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 2x6i h LEU 719 Cb 0.16 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2x6i h LEU 719 CO -0.18 0.51 -0.16 -0.07 0.09 0.00 0.00 178.44 178.63 2x6i h LEU 720 N 0.53 0.60 -0.57 1.67 3.38 -0.94 0.20 115.31 120.18 2x6i h LEU 720 Ca 0.14 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 2x6i h LEU 720 Cb 0.11 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2x6i h LEU 720 CO -0.02 0.78 -0.70 0.03 0.09 0.00 0.00 178.44 178.62 2x6i h ARG 721 N 0.55 0.11 0.00 1.13 3.08 0.20 0.22 114.38 119.66 2x6i h ARG 721 Ca 0.09 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2x6i h ARG 721 Cb 0.59 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.66 2x6i h ARG 721 CO 0.04 0.76 -0.04 0.00 -1.07 0.00 0.00 179.97 179.66 2x6i h ARG 722 N 0.07 0.00 -0.01 0.04 3.08 -0.62 0.20 114.38 117.15 2x6i h ARG 722 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2x6i h ARG 722 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 2x6i h ARG 722 CO 0.10 0.04 -0.10 0.39 -1.07 0.00 0.00 179.97 179.32 2x6i n GLU 723 N -3.15 1.01 -4.09 0.04 -0.58 0.02 -4.97 120.64 108.92 2x6i n GLU 723 Ca 0.00 -0.46 -0.31 0.00 -0.42 0.00 0.00 57.16 55.98 2x6i n GLU 723 Cb 0.31 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.66 2x6i n GLU 723 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2x6i n ASN 724 N -0.60 -1.93 -4.22 1.62 0.23 0.06 -4.99 115.26 105.44 2x6i n ASN 724 Ca 0.16 -1.00 -0.41 0.00 -0.53 0.00 0.00 54.58 52.80 2x6i n ASN 724 Cb 0.29 -2.92 -0.08 0.00 -2.08 0.00 0.00 39.78 35.00 2x6i n ASN 724 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2x6i s LEU 725 N -7.14 5.75 -0.63 -4.53 2.01 0.62 -4.98 118.68 109.77 2x6i s LEU 725 Ca 0.39 -1.98 -0.24 0.00 0.01 0.00 0.00 54.13 52.30 2x6i s LEU 725 Cb -0.21 -2.02 0.05 0.00 0.01 0.00 0.00 46.19 44.02 2x6i s LEU 725 CO 0.91 -0.69 1.04 -0.62 1.01 0.00 0.00 176.35 178.00 2x6i s ASP 726 N 2.62 6.25 0.00 2.29 3.68 -1.26 -3.37 116.67 126.89 2x6i s ASP 726 Ca 0.07 -0.56 0.31 0.00 2.13 0.00 0.00 52.55 54.49 2x6i s ASP 726 Cb -0.26 -2.46 1.71 0.00 -1.45 0.00 0.00 42.92 40.46 2x6i s ASP 726 CO -0.01 -1.45 2.13 0.18 0.13 0.00 0.00 175.17 176.15 2x6i n LEU 727 N 8.01 0.20 -2.90 -1.34 4.77 -1.26 -4.90 117.00 119.58 2x6i n LEU 727 Ca 0.01 -0.01 -0.17 0.00 -0.03 0.00 0.00 56.01 55.80 2x6i n LEU 727 Cb 0.47 -0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.57 2x6i n LEU 727 CO 0.66 0.03 0.16 0.29 -1.33 0.00 0.00 177.39 177.21 2x6i n LYS 728 N -0.91 -5.92 -2.43 3.23 4.76 -1.26 -1.43 118.16 114.21 2x6i n LYS 728 Ca 0.21 0.65 -0.36 0.00 -2.87 0.00 0.00 58.31 55.94 2x6i n LYS 728 Cb 0.17 -5.13 -0.03 0.00 -1.84 0.00 0.00 35.03 28.20 2x6i n LYS 728 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2x6i s LEU 729 N -5.76 4.05 -0.33 -0.35 1.43 -1.26 -4.58 118.68 111.87 2x6i s LEU 729 Ca 0.33 2.13 -0.02 0.00 -1.03 0.00 0.00 54.13 55.54 2x6i s LEU 729 Cb -0.15 -4.26 0.07 0.00 0.03 0.00 0.00 46.19 41.89 2x6i s LEU 729 CO 0.57 -0.71 0.06 0.42 0.23 0.00 0.00 176.35 176.92 2x6i s THR 730 N -1.65 3.06 -1.01 5.49 -4.23 -1.26 -5.05 115.64 110.99 2x6i s THR 730 Ca 0.61 -1.63 -0.03 0.00 -1.18 0.00 0.00 61.69 59.47 2x6i s THR 730 Cb -0.24 -2.88 0.29 0.00 1.34 0.00 0.00 72.50 71.01 2x6i s THR 730 CO 0.29 -0.30 1.30 -0.81 -0.54 0.00 0.00 174.62 174.56 2x6i n PRO 731 N 4.60 4.00 -1.50 3.99 -0.04 -1.26 -4.92 135.00 139.86 2x6i n PRO 731 Ca -0.09 -4.56 -0.39 0.00 -0.04 0.00 0.00 63.50 58.42 2x6i n PRO 731 Cb 0.43 -2.47 0.03 0.00 -0.04 0.00 0.00 33.50 31.45 2x6i n PRO 731 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2x6i n TYR 732 N 1.45 -0.28 -2.44 0.54 4.11 -1.26 -4.91 117.16 114.37 2x6i n TYR 732 Ca 0.26 0.48 -0.41 0.00 -0.00 0.00 0.00 57.90 58.23 2x6i n TYR 732 Cb 0.35 -2.01 -0.04 0.00 -0.00 0.00 0.00 39.34 37.64 2x6i n TYR 732 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 2x6i s LYS 733 N -2.07 4.58 -0.03 -3.48 -0.14 -1.26 -4.86 119.74 112.48 2x6i s LYS 733 Ca 0.68 1.83 0.02 0.00 -1.36 0.00 0.00 55.97 57.14 2x6i s LYS 733 Cb -0.48 -3.21 0.01 0.00 -1.68 0.00 0.00 37.83 32.47 2x6i s LYS 733 CO 0.54 0.09 -0.08 0.08 -0.76 0.00 0.00 175.35 175.22 2x6i s VAL 734 N -0.73 0.72 -0.02 3.17 1.01 -1.26 0.34 120.40 123.63 2x6i s VAL 734 Ca 0.48 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.16 2x6i s VAL 734 Cb -0.32 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.41 2x6i s VAL 734 CO 0.40 0.23 -0.08 -0.22 0.00 0.00 0.00 175.10 175.43 2x6i s LEU 735 N 0.28 1.77 -0.21 3.92 2.96 -0.23 -4.85 118.68 122.33 2x6i s LEU 735 Ca -0.04 -0.16 -0.20 0.00 -0.22 0.00 0.00 54.13 53.51 2x6i s LEU 735 Cb -0.09 -0.47 -0.03 0.00 0.50 0.00 0.00 46.19 46.10 2x6i s LEU 735 CO 0.00 0.05 0.60 0.00 -1.32 0.00 0.00 176.35 175.68 2x6i s ALA 736 N 0.21 3.55 0.02 5.97 0.00 -1.26 -0.32 121.76 129.93 2x6i s ALA 736 Ca -0.03 -0.34 -0.22 0.00 0.00 0.00 0.00 51.96 51.37 2x6i s ALA 736 Cb -0.08 -2.94 -0.12 0.00 0.00 0.00 0.00 23.12 19.98 2x6i s ALA 736 CO 0.00 -0.57 1.09 1.79 0.00 0.00 0.00 175.76 178.07 2x6i h THR 737 N 5.21 0.00 -4.86 0.00 1.35 -1.25 -3.47 112.91 109.89 2x6i h THR 737 Ca -0.31 -0.19 -0.45 0.00 -0.55 0.00 0.00 66.41 64.90 2x6i h THR 737 Cb 1.14 0.00 -0.13 0.00 -1.73 0.00 0.00 68.15 67.43 2x6i h THR 737 CO 0.76 0.00 -0.48 -0.55 -0.25 0.00 0.00 175.52 175.00 2x6i s SER 738 N -3.92 1.58 0.26 5.36 0.15 -1.02 -4.51 113.70 111.62 2x6i s SER 738 Ca -0.12 -1.73 -0.31 0.00 0.70 0.00 0.00 55.95 54.49 2x6i s SER 738 Cb 0.01 0.55 -0.11 0.00 -1.71 0.00 0.00 66.02 64.76 2x6i s SER 738 CO 0.35 -1.06 1.62 -0.94 1.20 0.00 0.00 173.24 174.41 2x6i s SER 739 N -3.36 6.39 0.00 5.45 1.04 -1.26 -1.80 113.70 120.16 2x6i s SER 739 Ca 0.40 2.90 0.00 0.00 0.48 0.00 0.00 55.95 59.74 2x6i s SER 739 Cb 0.02 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2x6i s SER 739 CO 0.27 -0.92 0.00 2.29 0.98 0.00 0.00 173.24 175.86 2x6i n LYS 740 N 2.74 0.00 -3.84 4.02 2.85 -1.06 -4.79 118.16 118.08 2x6i n LYS 740 Ca 0.10 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.24 2x6i n LYS 740 Cb 0.37 -1.98 -0.13 0.00 -0.65 0.00 0.00 35.03 32.64 2x6i n LYS 740 CO 0.00 0.00 0.00 -3.38 -0.05 0.00 0.00 177.40 173.97 2x6i s HIS 741 N -3.53 -0.09 0.36 5.58 -3.43 -0.75 -2.63 115.29 110.81 2x6i s HIS 741 Ca 0.00 0.21 -0.10 0.00 -0.80 0.00 0.00 55.06 54.37 2x6i s HIS 741 Cb 0.00 0.03 0.04 0.00 -1.43 0.00 0.00 32.58 31.22 2x6i s HIS 741 CO 0.00 -0.06 0.66 0.41 -2.00 0.00 0.00 174.74 173.75 2x6i n GLY 742 N 2.96 1.41 3.37 -1.38 0.00 -1.05 -0.71 105.19 109.79 2x6i n GLY 742 Ca -0.13 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 2x6i n GLY 742 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x6i s PHE 743 N -2.69 2.35 -0.10 1.61 0.08 0.56 -2.22 117.98 117.57 2x6i s PHE 743 Ca 0.19 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 56.86 2x6i s PHE 743 Cb -0.03 -1.36 0.02 0.00 -0.57 0.00 0.00 43.02 41.07 2x6i s PHE 743 CO 0.14 0.20 -0.09 -0.51 -0.10 0.00 0.00 175.22 174.86 2x6i s LEU 744 N -1.48 1.37 0.29 -0.37 1.43 -0.36 -1.06 118.68 118.50 2x6i s LEU 744 Ca 0.13 -0.30 -0.26 0.00 -1.03 0.00 0.00 54.13 52.67 2x6i s LEU 744 Cb -0.10 -0.83 -0.15 0.00 0.03 0.00 0.00 46.19 45.13 2x6i s LEU 744 CO 0.04 -0.06 0.58 1.67 0.23 0.00 0.00 176.35 178.81 2x6i n GLN 745 N 4.51 0.43 -4.83 1.70 7.27 0.15 -1.82 117.38 124.80 2x6i n GLN 745 Ca -0.17 0.15 -0.32 0.00 0.07 0.00 0.00 57.00 56.74 2x6i n GLN 745 Cb 0.51 -1.30 -0.13 0.00 2.41 0.00 0.00 30.24 31.72 2x6i n GLN 745 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 2x6i s TYR 746 N -1.20 2.61 -0.08 3.69 6.04 -1.22 -4.77 117.35 122.42 2x6i s TYR 746 Ca 0.62 -0.22 0.01 0.00 0.04 0.00 0.00 57.07 57.52 2x6i s TYR 746 Cb -0.77 -1.55 0.02 0.00 -1.04 0.00 0.00 41.96 38.62 2x6i s TYR 746 CO 0.58 0.19 -0.10 0.54 -1.54 0.00 0.00 175.55 175.22 2x6i s VAL 747 N -0.81 1.06 0.24 3.14 0.11 -1.26 -4.85 120.40 118.03 2x6i s VAL 747 Ca 0.13 -0.39 -0.31 0.00 -2.93 0.00 0.00 61.98 58.47 2x6i s VAL 747 Cb -0.11 -1.00 -0.13 0.00 -1.53 0.00 0.00 36.38 33.61 2x6i s VAL 747 CO 0.03 0.35 1.52 -0.67 -3.33 0.00 0.00 175.10 173.00 2x6i n ASP 748 N 4.17 3.27 -3.65 3.54 4.64 -1.26 -4.90 116.55 122.36 2x6i n ASP 748 Ca -0.20 1.13 -0.02 0.00 -1.38 0.00 0.00 54.79 54.32 2x6i n ASP 748 Cb 0.51 -1.49 -0.03 0.00 -1.04 0.00 0.00 41.12 39.07 2x6i n ASP 748 CO 0.00 0.00 0.00 -0.94 -0.82 0.00 0.00 177.20 175.44 2x6i s SER 749 N 0.54 -0.00 -0.05 1.67 1.04 -1.26 -4.66 113.70 110.97 2x6i s SER 749 Ca 0.69 0.00 0.03 0.00 0.48 0.00 0.00 55.95 57.15 2x6i s SER 749 Cb -0.59 0.00 -0.03 0.00 0.10 0.00 0.00 66.02 65.50 2x6i s SER 749 CO 0.46 -0.01 -0.11 0.00 0.98 0.00 0.00 173.24 174.56 2x6i s THR 751 N -0.79 2.55 0.19 0.00 -1.32 -1.26 0.10 115.64 115.10 2x6i s THR 751 Ca 0.12 0.50 -0.16 0.00 -1.21 0.00 0.00 61.69 60.94 2x6i s THR 751 Cb -0.11 -3.30 0.16 0.00 -1.51 0.00 0.00 72.50 67.74 2x6i s THR 751 CO 0.02 0.08 1.63 0.58 -2.21 0.00 0.00 174.62 174.72 2x6i h VAL 752 N 2.55 0.41 -0.52 5.08 2.07 -1.06 0.17 116.25 124.94 2x6i h VAL 752 Ca -0.50 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.09 2x6i h VAL 752 Cb 1.25 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 2x6i h VAL 752 CO 0.63 0.00 0.20 0.00 0.02 0.00 0.00 177.57 178.42 2x6i h ALA 753 N 1.39 0.65 -0.03 1.67 0.00 -1.61 0.18 119.26 121.51 2x6i h ALA 753 Ca 0.24 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.25 2x6i h ALA 753 Cb 0.42 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2x6i h ALA 753 CO -0.55 -0.19 -0.25 0.93 0.00 0.00 0.00 179.25 179.19 2x6i h GLU 754 N 0.39 -0.35 -0.59 0.00 5.08 -1.51 -1.14 114.58 116.44 2x6i h GLU 754 Ca 0.25 0.02 0.17 0.00 -1.00 0.00 0.00 59.36 58.81 2x6i h GLU 754 Cb 0.26 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2x6i h GLU 754 CO -0.24 -0.24 0.43 0.28 -1.00 0.00 0.00 179.01 178.24 2x6i h VAL 755 N -0.37 0.69 0.22 3.13 2.07 0.11 -1.44 116.25 120.66 2x6i h VAL 755 Ca 0.07 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.27 2x6i h VAL 755 Cb 0.47 0.70 0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2x6i h VAL 755 CO -0.24 0.00 -1.48 -0.07 0.02 0.00 0.00 177.57 175.79 2x6i h LEU 756 N 0.00 0.73 -0.00 2.57 3.38 0.31 0.05 115.31 122.34 2x6i h LEU 756 Ca 0.28 -0.93 -0.00 0.00 0.09 0.00 0.00 57.88 57.32 2x6i h LEU 756 Cb 1.14 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 2x6i h LEU 756 CO -0.00 1.70 0.00 0.00 0.09 0.00 0.00 178.44 180.23 2x6i h ALA 757 N 0.12 0.01 -0.07 1.53 0.00 -0.70 -3.19 119.26 116.96 2x6i h ALA 757 Ca -0.27 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.64 2x6i h ALA 757 Cb 2.08 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.81 2x6i h ALA 757 CO 0.23 -0.45 -0.29 -0.09 0.00 0.00 0.00 179.25 178.64 2x6i h ARG 758 N -0.07 -0.39 -5.95 0.00 9.65 -1.36 -3.42 114.38 112.84 2x6i h ARG 758 Ca 0.00 0.03 -0.62 0.00 -1.10 0.00 0.00 59.98 58.29 2x6i h ARG 758 Cb 0.08 0.09 -0.30 0.00 -1.39 0.00 0.00 29.97 28.45 2x6i h ARG 758 CO -0.00 -0.26 -0.86 -1.21 2.80 0.00 0.00 179.97 180.44 2x6i s GLU 759 N -6.03 1.87 0.19 0.20 8.01 0.00 -5.05 118.70 117.90 2x6i s GLU 759 Ca -0.15 -0.76 -0.20 0.00 0.01 0.00 0.00 54.97 53.87 2x6i s GLU 759 Cb 0.10 -1.73 0.13 0.00 -4.31 0.00 0.00 34.13 28.32 2x6i s GLU 759 CO 0.66 0.41 1.43 0.41 0.01 0.00 0.00 175.26 178.18 2x6i n GLY 760 N 2.72 -2.06 3.33 -1.39 0.00 -1.25 -4.09 105.19 102.46 2x6i n GLY 760 Ca -0.16 1.05 -0.20 0.00 0.00 0.00 0.00 46.02 46.71 2x6i n GLY 760 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x6i s ASN 761 N -5.37 1.83 0.25 1.61 2.20 -1.26 -4.89 114.94 109.30 2x6i s ASN 761 Ca -0.12 -1.71 0.00 0.00 -0.94 0.00 0.00 52.86 50.09 2x6i s ASN 761 Cb 0.16 0.53 0.31 0.00 -2.00 0.00 0.00 41.25 40.26 2x6i s ASN 761 CO 0.63 -1.01 1.67 0.40 -2.94 0.00 0.00 177.10 175.85 2x6i h ILE 762 N 2.09 1.28 -0.48 0.54 2.04 -1.86 -3.11 117.51 118.01 2x6i h ILE 762 Ca -0.28 -1.36 0.01 0.00 1.00 0.00 0.00 64.86 64.22 2x6i h ILE 762 Cb 1.24 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 2x6i h ILE 762 CO 0.43 0.44 0.32 0.45 0.00 0.00 0.00 178.15 179.78 2x6i h HIS 763 N 0.49 0.60 -0.71 1.37 3.86 -1.94 -1.70 115.15 117.11 2x6i h HIS 763 Ca 0.06 0.01 0.16 0.00 -1.16 0.00 0.00 60.37 59.45 2x6i h HIS 763 Cb 0.74 -0.20 -0.11 0.00 1.06 0.00 0.00 27.41 28.90 2x6i h HIS 763 CO 0.03 0.37 0.11 -0.91 0.86 0.00 0.00 177.93 178.40 2x6i h ASN 764 N 0.64 -0.11 0.13 2.45 2.35 -1.94 1.49 115.58 120.59 2x6i h ASN 764 Ca 0.18 0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 56.08 2x6i h ASN 764 Cb -0.07 0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.54 2x6i h ASN 764 CO -0.04 -0.08 -0.06 0.15 -1.65 0.00 0.00 177.43 175.75 2x6i h PHE 765 N 0.21 -0.16 -0.41 1.19 3.57 -1.45 0.76 116.94 120.65 2x6i h PHE 765 Ca 0.40 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.84 2x6i h PHE 765 Cb 0.68 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 2x6i h PHE 765 CO -0.31 -0.06 0.04 0.74 -2.23 0.00 0.00 178.31 176.49 2x6i h PHE 766 N -0.22 0.66 -0.41 0.41 -1.00 -0.33 -2.74 116.94 113.31 2x6i h PHE 766 Ca -0.02 -0.07 -0.07 0.00 2.81 0.00 0.00 57.97 60.63 2x6i h PHE 766 Cb 0.17 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.52 2x6i h PHE 766 CO -0.05 0.61 -0.03 -0.09 -1.61 0.00 0.00 178.31 177.14 2x6i h ARG 767 N 0.61 0.67 -0.12 1.51 2.43 0.25 -1.41 114.38 118.32 2x6i h ARG 767 Ca 0.13 -0.17 -0.21 0.00 -0.81 0.00 0.00 59.98 58.91 2x6i h ARG 767 Cb 0.33 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2x6i h ARG 767 CO 0.01 0.71 -0.78 1.57 -1.51 0.00 0.00 179.97 179.96 2x6i h LYS 768 N 0.63 0.67 0.15 0.20 2.10 -0.56 -2.77 116.57 117.00 2x6i h LYS 768 Ca 0.12 -0.56 -0.30 0.00 -2.00 0.00 0.00 60.65 57.91 2x6i h LYS 768 Cb 0.43 0.12 0.01 0.00 -0.90 0.00 0.00 32.23 31.89 2x6i h LYS 768 CO 0.02 1.17 -1.40 0.45 -2.00 0.00 0.00 179.45 177.69 2x6i h HIS 769 N 0.45 0.59 -1.54 0.07 3.86 -1.44 -3.41 115.15 113.74 2x6i h HIS 769 Ca -0.05 -0.43 -0.45 0.00 -1.16 0.00 0.00 60.37 58.27 2x6i h HIS 769 Cb 1.40 -0.02 -0.40 0.00 1.06 0.00 0.00 27.41 29.44 2x6i h HIS 769 CO 0.07 1.39 -1.08 0.72 0.86 0.00 0.00 177.93 179.89 2x6i n HIS 770 N -3.55 1.40 -2.70 2.45 8.25 -0.54 -5.11 115.22 115.42 2x6i n HIS 770 Ca -0.13 -3.31 -0.37 0.00 -0.26 0.00 0.00 57.72 53.64 2x6i n HIS 770 Cb 1.05 -0.37 -0.06 0.00 1.12 0.00 0.00 29.99 31.73 2x6i n HIS 770 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2x6i s PRO 771 N -2.97 4.54 -0.01 -0.41 0.04 -1.04 -1.59 135.00 133.55 2x6i s PRO 771 Ca 0.36 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.83 2x6i s PRO 771 Cb 0.40 -2.83 0.01 0.00 0.04 0.00 0.00 34.50 32.12 2x6i s PRO 771 CO -0.05 0.22 0.01 0.00 0.04 0.00 0.00 177.00 177.22 2x6i h ASP 773 N 6.63 0.20 0.21 0.00 5.19 -1.93 -3.07 116.42 123.64 2x6i h ASP 773 Ca -0.33 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 2x6i h ASP 773 Cb 1.17 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.63 2x6i h ASP 773 CO 0.50 0.49 -0.99 0.59 -3.12 0.00 0.00 179.24 176.71 2x6i n ASN 774 N -4.14 0.72 -4.77 6.45 3.02 -1.26 -4.79 115.26 110.50 2x6i n ASN 774 Ca -0.01 -0.58 -0.39 0.00 -0.03 0.00 0.00 54.58 53.58 2x6i n ASN 774 Cb 0.38 0.88 -0.02 0.00 -0.61 0.00 0.00 39.78 40.41 2x6i n ASN 774 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2x6i s GLY 775 N -3.28 2.90 0.00 7.41 0.00 -1.16 -4.93 107.32 108.25 2x6i s GLY 775 Ca 0.06 0.97 0.00 0.00 0.00 0.00 0.00 44.72 45.75 2x6i s GLY 775 CO 0.82 1.50 0.38 -1.55 0.00 0.00 0.00 173.10 174.26 2x6i n PRO 776 N 0.29 0.00 -3.70 2.90 -0.04 -1.23 -2.58 135.00 130.65 2x6i n PRO 776 Ca 0.03 0.38 -0.38 0.00 -0.04 0.00 0.00 63.50 63.49 2x6i n PRO 776 Cb 0.46 -0.66 -0.11 0.00 -0.04 0.00 0.00 33.50 33.15 2x6i n PRO 776 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2x6i s TYR 777 N -1.76 3.35 0.00 0.54 1.51 -1.26 -4.80 117.35 114.93 2x6i s TYR 777 Ca 0.00 -1.69 0.00 0.00 -1.01 0.00 0.00 57.07 54.37 2x6i s TYR 777 Cb 0.00 -2.76 0.00 0.00 -0.11 0.00 0.00 41.96 39.09 2x6i s TYR 777 CO 0.00 -0.84 0.00 0.41 -1.11 0.00 0.00 175.55 174.01 2x6i n GLY 778 N 4.81 0.00 2.98 0.71 0.00 -1.06 -4.83 105.19 107.79 2x6i n GLY 778 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 2x6i n GLY 778 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2x6i s ILE 779 N 0.00 0.15 0.15 -0.61 1.01 -1.18 -3.29 121.20 117.42 2x6i s ILE 779 Ca 0.00 -0.86 -0.34 0.00 0.00 0.00 0.00 60.65 59.45 2x6i s ILE 779 Cb 0.00 -0.28 -0.14 0.00 0.01 0.00 0.00 42.46 42.05 2x6i s ILE 779 CO 0.00 -0.45 1.55 -1.20 0.00 0.00 0.00 174.94 174.84 2x6i n SER 780 N 1.70 2.93 -0.25 3.58 7.64 -0.62 -3.49 113.62 125.12 2x6i n SER 780 Ca -0.23 1.09 0.16 0.00 1.01 0.00 0.00 58.87 60.90 2x6i n SER 780 Cb 0.55 -1.40 0.46 0.00 -1.01 0.00 0.00 64.21 62.81 2x6i n SER 780 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2x6i h ALA 781 N 5.81 2.04 0.00 -0.43 0.00 -1.93 -0.90 119.26 123.85 2x6i h ALA 781 Ca -0.45 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.35 2x6i h ALA 781 Cb 1.26 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2x6i h ALA 781 CO 0.88 -0.31 -0.59 1.05 0.00 0.00 0.00 179.25 180.28 2x6i h GLU 782 N 0.52 0.00 -0.33 0.00 -0.00 -1.99 -2.67 114.58 110.12 2x6i h GLU 782 Ca 0.46 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.78 2x6i h GLU 782 Cb 0.97 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.71 2x6i h GLU 782 CO -0.19 0.59 0.06 0.28 -0.00 0.00 0.00 179.01 179.74 2x6i h VAL 783 N 0.00 1.23 -0.96 -1.06 2.07 -1.46 0.14 116.25 116.21 2x6i h VAL 783 Ca -0.01 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.75 2x6i h VAL 783 Cb 1.29 1.13 -0.06 0.00 -1.52 0.00 0.00 31.29 32.13 2x6i h VAL 783 CO 0.08 0.27 0.62 0.24 0.02 0.00 0.00 177.57 178.80 2x6i h MET 784 N 0.37 1.16 -0.02 1.57 2.86 -1.52 -1.69 114.93 117.65 2x6i h MET 784 Ca 0.10 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2x6i h MET 784 Cb 0.34 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 2x6i h MET 784 CO 0.01 0.76 -0.00 0.22 1.06 0.00 0.00 176.91 178.96 2x6i h ASP 785 N 1.19 0.04 -0.69 1.22 -0.00 -1.15 -1.02 116.42 116.02 2x6i h ASP 785 Ca 0.39 -0.33 0.14 0.00 -0.00 0.00 0.00 57.03 57.22 2x6i h ASP 785 Cb 0.04 -0.01 -0.04 0.00 -0.00 0.00 0.00 39.33 39.31 2x6i h ASP 785 CO -0.13 0.37 0.47 0.71 -0.00 0.00 0.00 179.24 180.65 2x6i h THR 786 N -0.28 0.81 -0.09 2.25 1.35 -0.52 -1.76 112.91 114.67 2x6i h THR 786 Ca 0.01 -0.12 -0.01 0.00 -0.55 0.00 0.00 66.41 65.73 2x6i h THR 786 Cb 0.34 0.42 -0.00 0.00 -1.73 0.00 0.00 68.15 67.18 2x6i h THR 786 CO 0.00 0.07 -0.00 0.22 -0.25 0.00 0.00 175.52 175.56 2x6i h TYR 787 N 0.36 0.17 -0.69 4.73 3.20 -0.75 -1.95 116.97 122.04 2x6i h TYR 787 Ca 0.33 -0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.19 2x6i h TYR 787 Cb 0.80 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.99 2x6i h TYR 787 CO -0.00 0.42 0.45 0.82 -1.64 0.00 0.00 178.16 178.21 2x6i h ILE 788 N -0.13 1.14 -0.06 1.81 5.03 -0.39 -1.85 117.51 123.07 2x6i h ILE 788 Ca 0.02 -0.31 -0.02 0.00 -0.12 0.00 0.00 64.86 64.43 2x6i h ILE 788 Cb 0.36 0.16 -0.00 0.00 -3.03 0.00 0.00 36.82 34.31 2x6i h ILE 788 CO 0.00 0.16 -0.05 0.11 -0.68 0.00 0.00 178.15 177.70 2x6i h LYS 789 N 0.90 0.14 -0.77 2.37 1.57 -1.34 -0.91 116.57 118.54 2x6i h LYS 789 Ca 0.26 -0.07 0.11 0.00 -1.87 0.00 0.00 60.65 59.08 2x6i h LYS 789 Cb -0.06 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.17 2x6i h LYS 789 CO -0.08 0.58 0.39 0.66 -0.57 0.00 0.00 179.45 180.43 2x6i h SER 790 N -0.28 0.49 0.29 0.86 4.64 -0.42 -0.79 113.55 118.33 2x6i h SER 790 Ca 0.01 0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2x6i h SER 790 Cb 0.55 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 2x6i h SER 790 CO 0.01 0.25 -0.22 0.00 -0.87 0.00 0.00 176.83 176.01 2x6i h ALA 792 N 0.15 -0.61 -0.63 0.00 0.00 -0.35 -1.35 119.26 116.47 2x6i h ALA 792 Ca -0.02 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 54.98 2x6i h ALA 792 Cb 0.45 0.70 -0.12 0.00 0.00 0.00 0.00 17.79 18.82 2x6i h ALA 792 CO -0.01 -0.92 -0.18 0.78 0.00 0.00 0.00 179.25 178.92 2x6i h GLY 793 N -0.55 0.40 1.88 0.00 0.00 -1.12 -1.96 103.07 101.73 2x6i h GLY 793 Ca 0.05 0.23 -0.11 0.00 0.00 0.00 0.00 47.33 47.51 2x6i h GLY 793 CO -0.31 -0.24 -0.47 -0.97 0.00 0.00 0.00 176.54 174.55 2x6i h TYR 794 N -0.02 0.15 -0.58 5.60 0.05 -0.78 0.70 116.97 122.09 2x6i h TYR 794 Ca 0.30 -0.05 -0.10 0.00 0.05 0.00 0.00 58.73 58.93 2x6i h TYR 794 Cb 0.48 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.16 2x6i h TYR 794 CO -0.53 0.58 -0.03 0.00 -1.05 0.00 0.00 178.16 177.12 2x6i h VAL 796 N 0.95 0.53 0.16 0.00 2.07 -0.89 -2.33 116.25 116.73 2x6i h VAL 796 Ca 0.16 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2x6i h VAL 796 Cb 0.60 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2x6i h VAL 796 CO 0.04 0.10 -0.13 0.40 0.02 0.00 0.00 177.57 177.99 2x6i h ILE 797 N -0.89 0.70 -0.67 4.57 2.04 -0.90 -0.69 117.51 121.67 2x6i h ILE 797 Ca -0.05 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.92 2x6i h ILE 797 Cb 0.54 0.70 -0.12 0.00 -0.74 0.00 0.00 36.82 37.20 2x6i h ILE 797 CO 0.08 0.00 -0.34 0.74 0.00 0.00 0.00 178.15 178.63 2x6i h THR 798 N -0.31 0.14 -0.20 -0.27 2.02 -0.96 -1.73 112.91 111.59 2x6i h THR 798 Ca -0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.22 2x6i h THR 798 Cb 0.28 0.14 -0.05 0.00 -1.74 0.00 0.00 68.15 66.79 2x6i h THR 798 CO -0.02 0.00 -0.11 0.22 0.37 0.00 0.00 175.52 175.99 2x6i h TYR 799 N -0.13 -0.25 -0.15 3.16 3.20 -0.59 0.23 116.97 122.45 2x6i h TYR 799 Ca 0.26 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.08 2x6i h TYR 799 Cb 0.56 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 2x6i h TYR 799 CO -0.68 -0.16 -0.22 -0.07 -1.64 0.00 0.00 178.16 175.39 2x6i h LEU 800 N -0.09 0.26 -0.40 2.82 3.38 -0.98 -2.33 115.31 117.97 2x6i h LEU 800 Ca 0.11 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2x6i h LEU 800 Cb 0.25 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2x6i h LEU 800 CO -0.26 0.49 -0.29 0.18 0.09 0.00 0.00 178.44 178.66 2x6i n LEU 801 N -4.18 0.91 -3.54 1.67 4.77 -0.57 -4.51 117.00 111.54 2x6i n LEU 801 Ca -0.01 -0.20 -0.26 0.00 -0.03 0.00 0.00 56.01 55.51 2x6i n LEU 801 Cb 0.34 -0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.32 2x6i n LEU 801 CO 0.39 0.18 0.08 0.61 -1.33 0.00 0.00 177.39 177.32 2x6i n GLY 802 N 1.36 -0.51 3.70 -0.72 0.00 0.72 -1.43 105.19 108.31 2x6i n GLY 802 Ca 0.11 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 2x6i n GLY 802 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2x6i s VAL 803 N -3.20 3.65 0.47 1.61 1.01 -1.06 0.06 120.40 122.93 2x6i s VAL 803 Ca 0.52 1.12 0.04 0.00 0.00 0.00 0.00 61.98 63.65 2x6i s VAL 803 Cb -0.25 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2x6i s VAL 803 CO 0.64 0.04 0.03 -0.83 0.00 0.00 0.00 175.10 174.98 2x6i s GLY 804 N 1.49 2.76 0.00 4.51 0.00 0.03 -4.85 107.32 111.26 2x6i s GLY 804 Ca 0.63 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 44.07 2x6i s GLY 804 CO 0.28 -2.14 0.00 1.34 0.00 0.00 0.00 173.10 172.58 2x6i n ASP 805 N -1.16 -1.48 -4.74 1.64 2.03 -1.26 -4.28 116.55 107.29 2x6i n ASP 805 Ca -0.12 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.78 2x6i n ASP 805 Cb 0.67 -0.25 -0.03 0.00 -0.72 0.00 0.00 41.12 40.79 2x6i n ASP 805 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2x6i s ARG 806 N -0.82 4.38 0.23 -0.67 1.81 -1.26 -4.93 118.95 117.69 2x6i s ARG 806 Ca 0.00 2.09 -0.05 0.00 -1.72 0.00 0.00 55.73 56.06 2x6i s ARG 806 Cb 0.00 -3.16 0.02 0.00 -0.45 0.00 0.00 34.95 31.36 2x6i s ARG 806 CO 0.00 -0.23 0.38 -2.39 -0.68 0.00 0.00 175.30 172.38 2x6i n HIS 807 N 2.20 -1.41 0.72 -0.53 1.44 -1.26 -5.03 115.22 111.35 2x6i n HIS 807 Ca 0.05 -1.32 0.13 0.00 -2.01 0.00 0.00 57.72 54.56 2x6i n HIS 807 Cb 0.42 0.44 0.47 0.00 0.12 0.00 0.00 29.99 31.45 2x6i n HIS 807 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2x6i n LEU 808 N 0.00 0.53 0.14 2.39 4.32 -1.26 -1.59 117.00 121.53 2x6i n LEU 808 Ca -0.02 0.56 0.08 0.00 -0.02 0.00 0.00 56.01 56.61 2x6i n LEU 808 Cb 0.36 -0.40 0.05 0.00 -1.62 0.00 0.00 43.42 41.82 2x6i n LEU 808 CO 0.18 -0.16 0.32 0.44 -1.22 0.00 0.00 177.39 176.95 2x6i h ASP 809 N 0.00 0.00 0.83 -1.43 3.32 -1.96 -1.75 116.42 115.44 2x6i h ASP 809 Ca 0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 2x6i h ASP 809 Cb 0.62 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 2x6i h ASP 809 CO 0.00 0.18 -0.83 0.78 -1.72 0.00 0.00 179.24 177.64 2x6i h ASN 810 N 0.00 0.00 -3.44 6.45 4.21 -1.66 -3.44 115.58 117.70 2x6i h ASN 810 Ca -0.02 -0.00 -0.63 0.00 1.21 0.00 0.00 56.30 56.85 2x6i h ASN 810 Cb 1.16 -0.00 -0.19 0.00 -1.12 0.00 0.00 38.32 38.16 2x6i h ASN 810 CO 0.02 0.84 -0.60 -0.76 -1.29 0.00 0.00 177.43 175.63 2x6i s LEU 811 N -7.11 3.60 0.18 1.61 1.43 -1.05 -0.87 118.68 116.48 2x6i s LEU 811 Ca -0.00 -0.06 0.05 0.00 -1.03 0.00 0.00 54.13 53.09 2x6i s LEU 811 Cb 0.11 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 2x6i s LEU 811 CO 0.80 0.09 0.17 -0.76 0.23 0.00 0.00 176.35 176.87 2x6i s LEU 812 N 0.87 3.86 -0.04 1.79 2.01 0.15 -1.74 118.68 125.58 2x6i s LEU 812 Ca 0.03 -0.13 0.03 0.00 0.01 0.00 0.00 54.13 54.07 2x6i s LEU 812 Cb -0.14 -2.45 0.00 0.00 0.01 0.00 0.00 46.19 43.62 2x6i s LEU 812 CO 0.02 0.04 -0.11 -0.22 1.01 0.00 0.00 176.35 177.10 2x6i s LEU 813 N -3.30 1.75 0.67 1.79 2.96 0.11 -1.79 118.68 120.89 2x6i s LEU 813 Ca 0.32 -0.23 -0.11 0.00 -0.22 0.00 0.00 54.13 53.88 2x6i s LEU 813 Cb -0.10 -0.67 -0.01 0.00 0.50 0.00 0.00 46.19 45.92 2x6i s LEU 813 CO 0.24 0.07 1.07 0.28 -1.32 0.00 0.00 176.35 176.69 2x6i s THR 814 N 0.29 4.04 -0.33 3.68 -1.32 -1.09 -0.28 115.64 120.64 2x6i s THR 814 Ca -0.06 0.66 0.26 0.00 -1.21 0.00 0.00 61.69 61.35 2x6i s THR 814 Cb -0.11 -3.65 0.28 0.00 -1.51 0.00 0.00 72.50 67.52 2x6i s THR 814 CO 0.01 -0.87 1.78 0.71 -2.21 0.00 0.00 174.62 174.05 2x6i h THR 815 N -0.51 0.00 0.00 5.08 1.35 -1.91 -2.87 112.91 114.04 2x6i h THR 815 Ca -0.45 -0.29 -0.18 0.00 -0.55 0.00 0.00 66.41 64.95 2x6i h THR 815 Cb 1.22 1.08 -0.03 0.00 -1.73 0.00 0.00 68.15 68.70 2x6i h THR 815 CO 0.63 0.00 -1.45 -3.20 -0.25 0.00 0.00 175.52 171.25 2x6i n ASN 816 N -2.45 0.85 0.00 5.36 2.85 -1.26 -4.85 115.26 115.77 2x6i n ASN 816 Ca 0.02 0.38 0.00 0.00 -0.11 0.00 0.00 54.58 54.86 2x6i n ASN 816 Cb 0.24 0.16 0.00 0.00 1.24 0.00 0.00 39.78 41.42 2x6i n ASN 816 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2x6i n GLY 817 N 1.41 1.82 3.77 8.20 0.00 -1.08 -4.76 105.19 114.55 2x6i n GLY 817 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 2x6i n GLY 817 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x6i s LYS 818 N 0.00 3.94 -0.05 1.61 1.02 -1.26 -3.89 119.74 121.11 2x6i s LYS 818 Ca 0.00 2.47 -0.02 0.00 0.02 0.00 0.00 55.97 58.44 2x6i s LYS 818 Cb 0.00 -2.84 -0.04 0.00 -0.52 0.00 0.00 37.83 34.44 2x6i s LYS 818 CO 0.00 -0.63 0.06 -1.17 -0.92 0.00 0.00 175.35 172.69 2x6i s LEU 819 N -2.35 3.84 0.06 3.17 2.96 -1.26 -2.66 118.68 122.43 2x6i s LEU 819 Ca 0.56 0.19 -0.10 0.00 -0.22 0.00 0.00 54.13 54.56 2x6i s LEU 819 Cb -0.45 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.19 2x6i s LEU 819 CO 0.59 0.33 0.22 0.72 -1.32 0.00 0.00 176.35 176.90 2x6i s PHE 820 N -1.05 0.05 0.08 5.38 -0.12 -0.74 -4.67 117.98 116.90 2x6i s PHE 820 Ca 0.18 -0.32 -0.14 0.00 -0.05 0.00 0.00 56.93 56.60 2x6i s PHE 820 Cb -0.12 -0.01 -0.06 0.00 -0.63 0.00 0.00 43.02 42.20 2x6i s PHE 820 CO 0.08 -0.49 0.48 -1.01 -0.05 0.00 0.00 175.22 174.23 2x6i s HIS 821 N -3.00 3.68 -0.22 3.49 3.76 -1.26 -0.68 115.29 121.06 2x6i s HIS 821 Ca -0.02 1.03 -0.17 0.00 -0.15 0.00 0.00 55.06 55.75 2x6i s HIS 821 Cb 0.01 -2.33 -0.14 0.00 1.11 0.00 0.00 32.58 31.23 2x6i s HIS 821 CO -0.06 0.54 -0.06 1.51 -0.85 0.00 0.00 174.74 175.82 2x6i n ILE 822 N 1.29 1.52 -5.08 0.60 3.06 -0.05 -4.92 119.36 115.78 2x6i n ILE 822 Ca -0.09 -0.11 -0.29 0.00 -2.50 0.00 0.00 62.75 59.76 2x6i n ILE 822 Cb 0.52 -2.05 -0.16 0.00 0.54 0.00 0.00 39.64 38.49 2x6i n ILE 822 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2x6i s ASP 823 N -6.88 2.64 -0.55 9.51 -1.08 -1.26 -5.06 116.67 113.98 2x6i s ASP 823 Ca -0.31 -0.43 0.06 0.00 -0.52 0.00 0.00 52.55 51.36 2x6i s ASP 823 Cb 0.08 -0.61 0.32 0.00 -1.46 0.00 0.00 42.92 41.25 2x6i s ASP 823 CO 0.50 0.22 0.85 0.49 0.52 0.00 0.00 175.17 177.76 2x6i n PHE 824 N 2.90 3.19 0.14 -5.34 3.72 -1.26 -4.80 117.46 116.01 2x6i n PHE 824 Ca -0.17 -3.99 0.01 0.00 -0.05 0.00 0.00 57.45 53.25 2x6i n PHE 824 Cb 0.52 -0.49 0.16 0.00 -0.94 0.00 0.00 39.48 38.74 2x6i n PHE 824 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2x6i h GLY 825 N 3.32 0.00 -6.61 1.37 0.00 -1.97 -3.41 103.07 95.77 2x6i h GLY 825 Ca 0.14 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.89 2x6i h GLY 825 CO 0.76 0.00 -0.82 -0.19 0.00 0.00 0.00 176.54 176.29 2x6i s TYR 826 N -3.35 1.99 0.09 5.60 2.02 -1.26 -4.96 117.35 117.48 2x6i s TYR 826 Ca 0.00 -1.15 0.06 0.00 -0.37 0.00 0.00 57.07 55.61 2x6i s TYR 826 Cb 0.11 -1.48 -0.03 0.00 -0.40 0.00 0.00 41.96 40.15 2x6i s TYR 826 CO 0.74 -0.64 -0.16 0.42 -1.57 0.00 0.00 175.55 174.35 2x6i s ILE 827 N 1.54 1.30 -1.29 2.71 1.09 -1.26 -0.79 121.20 124.51 2x6i s ILE 827 Ca 0.04 -1.48 -0.04 0.00 -1.10 0.00 0.00 60.65 58.06 2x6i s ILE 827 Cb -0.14 -1.31 -0.00 0.00 -1.06 0.00 0.00 42.46 39.95 2x6i s ILE 827 CO -0.09 -0.25 0.64 0.18 -0.10 0.00 0.00 174.94 175.32 2x6i n LEU 828 N 1.02 -2.90 0.00 2.97 4.77 -0.05 -2.55 117.00 120.26 2x6i n LEU 828 Ca -0.19 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 54.88 2x6i n LEU 828 Cb 0.55 -2.50 0.00 0.00 -2.33 0.00 0.00 43.42 39.14 2x6i n LEU 828 CO 0.23 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 2x6i n GLY 829 N -1.70 2.17 3.55 -0.72 0.00 0.11 -4.97 105.19 103.62 2x6i n GLY 829 Ca -0.25 -0.46 -0.50 0.00 0.00 0.00 0.00 46.02 44.81 2x6i n GLY 829 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x6i n ARG 830 N 0.00 0.91 -3.63 1.61 5.12 -1.06 -4.78 116.66 114.84 2x6i n ARG 830 Ca 0.00 0.33 -0.14 0.00 -1.93 0.00 0.00 57.85 56.10 2x6i n ARG 830 Cb 0.00 -1.78 -0.07 0.00 -1.16 0.00 0.00 32.46 29.45 2x6i n ARG 830 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2x6i s ASP 831 N -0.08 -0.68 0.14 0.55 -1.08 -1.26 -4.03 116.67 110.22 2x6i s ASP 831 Ca 0.75 1.23 -0.18 0.00 -0.52 0.00 0.00 52.55 53.83 2x6i s ASP 831 Cb -0.91 1.23 -0.02 0.00 -1.46 0.00 0.00 42.92 41.75 2x6i s ASP 831 CO 0.53 -0.29 1.78 1.55 0.52 0.00 0.00 175.17 179.26 2x6i h PRO 832 N 4.77 0.30 -7.25 4.34 0.13 -1.96 -3.45 132.00 128.88 2x6i h PRO 832 Ca -0.28 -0.02 -0.52 0.00 -0.87 0.00 0.00 66.00 64.31 2x6i h PRO 832 Cb 1.16 -0.07 0.15 0.00 0.13 0.00 0.00 31.00 32.37 2x6i h PRO 832 CO 0.13 0.20 0.32 0.15 -0.23 0.00 0.00 178.00 178.57 2x6i s LYS 833 N -6.17 1.95 -0.05 0.86 1.02 -1.26 -4.98 119.74 111.11 2x6i s LYS 833 Ca -0.13 1.45 -0.26 0.00 0.02 0.00 0.00 55.97 57.05 2x6i s LYS 833 Cb 0.10 -1.84 -0.21 0.00 -0.52 0.00 0.00 37.83 35.36 2x6i s LYS 833 CO 0.70 -1.92 1.09 -1.35 -0.92 0.00 0.00 175.35 172.96 2x6i h PRO 834 N -0.97 -0.03 -4.52 -1.68 0.11 -2.04 -3.41 132.00 119.45 2x6i h PRO 834 Ca -0.45 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.02 2x6i h PRO 834 Cb 1.26 0.01 -0.39 0.00 0.11 0.00 0.00 31.00 31.99 2x6i h PRO 834 CO 0.48 0.56 -0.75 -1.64 -0.21 0.00 0.00 178.00 176.44 2x6i s MET 835 N -3.66 1.58 0.49 1.05 -1.94 -1.26 -5.09 119.30 110.46 2x6i s MET 835 Ca -0.16 -1.50 -0.23 0.00 -1.71 0.00 0.00 55.69 52.09 2x6i s MET 835 Cb 0.00 -2.87 -0.07 0.00 2.01 0.00 0.00 34.83 33.91 2x6i s MET 835 CO 0.65 -0.80 1.34 -1.25 -0.01 0.00 0.00 175.02 174.95 2x6i s PRO 836 N 1.13 3.49 0.49 2.03 0.04 -1.26 -5.01 135.00 135.90 2x6i s PRO 836 Ca 0.03 2.21 -0.23 0.00 0.04 0.00 0.00 61.00 63.06 2x6i s PRO 836 Cb -0.19 -2.45 -0.07 0.00 0.04 0.00 0.00 34.50 31.83 2x6i s PRO 836 CO -0.09 -0.90 1.23 -2.14 0.04 0.00 0.00 177.00 175.13 2x6i s PRO 837 N -2.66 3.56 0.37 0.56 0.02 -1.26 -4.96 135.00 130.63 2x6i s PRO 837 Ca 0.66 1.92 0.17 0.00 0.02 0.00 0.00 61.00 63.76 2x6i s PRO 837 Cb -0.39 -2.36 0.68 0.00 0.02 0.00 0.00 34.50 32.45 2x6i s PRO 837 CO 0.48 -0.75 1.75 -1.00 -0.33 0.00 0.00 177.00 177.15 2x6i h PRO 838 N 1.86 0.00 -6.47 5.54 0.13 -1.95 -3.42 132.00 127.69 2x6i h PRO 838 Ca -0.50 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 63.97 2x6i h PRO 838 Cb 1.26 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.11 2x6i h PRO 838 CO 0.59 0.40 -0.87 1.41 -0.23 0.00 0.00 178.00 179.30 2x6i s MET 839 N -3.72 1.84 -0.48 0.86 1.75 -1.26 -4.79 119.30 113.50 2x6i s MET 839 Ca -0.01 -0.95 -0.14 0.00 -1.25 0.00 0.00 55.69 53.34 2x6i s MET 839 Cb 0.12 -1.87 0.09 0.00 2.84 0.00 0.00 34.83 36.01 2x6i s MET 839 CO 0.70 0.50 0.39 0.15 -0.65 0.00 0.00 175.02 176.11 2x6i s LYS 840 N -0.86 2.86 -0.09 4.11 -0.14 -1.26 -4.83 119.74 119.52 2x6i s LYS 840 Ca 0.10 -1.50 -0.00 0.00 -1.36 0.00 0.00 55.97 53.20 2x6i s LYS 840 Cb -0.09 -4.08 0.02 0.00 -1.68 0.00 0.00 37.83 32.00 2x6i s LYS 840 CO 0.00 -1.10 -0.06 -0.51 -0.76 0.00 0.00 175.35 172.92 2x6i s LEU 841 N 1.56 1.10 0.61 3.17 1.43 -1.26 -4.94 118.68 120.34 2x6i s LEU 841 Ca 0.04 -0.23 -0.19 0.00 -1.03 0.00 0.00 54.13 52.72 2x6i s LEU 841 Cb -0.26 -0.71 -0.03 0.00 0.03 0.00 0.00 46.19 45.22 2x6i s LEU 841 CO 0.04 -0.12 1.24 -0.44 0.23 0.00 0.00 176.35 177.30 2x6i s SER 842 N 1.60 5.03 0.23 2.29 0.01 -1.26 -4.88 113.70 116.72 2x6i s SER 842 Ca 0.02 2.47 -0.06 0.00 1.31 0.00 0.00 55.95 59.69 2x6i s SER 842 Cb -0.13 -2.61 0.35 0.00 0.21 0.00 0.00 66.02 63.84 2x6i s SER 842 CO -0.06 -1.70 1.81 0.50 0.41 0.00 0.00 173.24 174.20 2x6i h LYS 843 N 0.82 0.74 -0.41 12.44 3.64 -1.98 -2.28 116.57 129.54 2x6i h LYS 843 Ca -0.51 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.81 2x6i h LYS 843 Cb 1.31 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.94 2x6i h LYS 843 CO 0.55 0.49 0.18 0.93 -2.27 0.00 0.00 179.45 179.33 2x6i h GLU 844 N 0.77 0.58 -0.44 1.90 3.07 -1.98 -0.96 114.58 117.52 2x6i h GLU 844 Ca 0.37 -0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 59.04 2x6i h GLU 844 Cb 0.30 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 2x6i h GLU 844 CO -0.23 0.47 -0.19 0.52 -1.40 0.00 0.00 179.01 178.18 2x6i h MET 845 N 0.58 0.86 0.08 2.33 2.86 -1.78 -2.52 114.93 117.35 2x6i h MET 845 Ca 0.15 -0.34 -0.26 0.00 -2.06 0.00 0.00 59.70 57.18 2x6i h MET 845 Cb 0.10 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2x6i h MET 845 CO -0.02 0.98 -1.25 0.28 1.06 0.00 0.00 176.91 177.97 2x6i h VAL 846 N 0.76 1.47 -0.44 -2.22 2.07 -1.02 -2.65 116.25 114.21 2x6i h VAL 846 Ca 0.11 -3.11 -0.05 0.00 0.82 0.00 0.00 66.70 64.47 2x6i h VAL 846 Cb 0.73 2.85 -0.02 0.00 -1.52 0.00 0.00 31.29 33.33 2x6i h VAL 846 CO 0.06 0.88 0.06 -0.33 0.02 0.00 0.00 177.57 178.26 2x6i h GLU 847 N 0.05 0.68 0.00 1.57 5.08 -1.28 -0.62 114.58 120.06 2x6i h GLU 847 Ca -0.12 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2x6i h GLU 847 Cb 1.92 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 31.07 2x6i h GLU 847 CO 0.17 0.65 -0.02 0.00 -1.00 0.00 0.00 179.01 178.81 2x6i h ALA 848 N 1.42 1.81 0.00 3.43 0.00 -1.31 -0.65 119.26 123.96 2x6i h ALA 848 Ca 0.14 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 2x6i h ALA 848 Cb 0.32 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2x6i h ALA 848 CO 0.01 0.03 -0.86 0.52 0.00 0.00 0.00 179.25 178.94 2x6i h MET 849 N 0.00 0.00 0.00 0.00 2.86 -1.00 -3.47 114.93 113.32 2x6i h MET 849 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2x6i h MET 849 Cb 0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.70 2x6i h MET 849 CO 0.00 0.86 0.00 0.41 1.06 0.00 0.00 176.91 179.24 2x6i n GLY 850 N 1.01 1.69 0.15 8.32 0.00 -0.25 -4.46 105.19 111.65 2x6i n GLY 850 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2x6i n GLY 850 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2x6i n GLY 851 N -0.98 -2.80 0.54 -0.02 0.00 -0.31 -2.84 105.19 98.76 2x6i n GLY 851 Ca 0.00 -1.34 0.32 0.00 0.00 0.00 0.00 46.02 45.01 2x6i n GLY 851 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2x6i h ILE 852 N -0.07 0.14 -0.39 -0.61 6.09 -1.97 0.38 117.51 121.08 2x6i h ILE 852 Ca -0.01 0.00 -0.05 0.00 -1.37 0.00 0.00 64.86 63.43 2x6i h ILE 852 Cb 0.12 0.20 -0.02 0.00 0.47 0.00 0.00 36.82 37.60 2x6i h ILE 852 CO 0.00 0.00 0.05 -1.28 -3.07 0.00 0.00 178.15 173.85 2x6i h SER 853 N 0.00 0.64 -2.31 2.19 0.87 -1.99 -3.46 113.55 109.48 2x6i h SER 853 Ca 0.52 -0.27 -0.60 0.00 -1.23 0.00 0.00 61.79 60.21 2x6i h SER 853 Cb 2.60 -0.17 0.16 0.00 -0.44 0.00 0.00 62.40 64.54 2x6i h SER 853 CO -0.01 0.75 -0.56 -0.24 -0.53 0.00 0.00 176.83 176.24 2x6i n SER 854 N -4.51 -1.50 -0.03 6.23 2.88 0.13 -4.95 113.62 111.87 2x6i n SER 854 Ca -0.01 0.84 -0.13 0.00 -1.33 0.00 0.00 58.87 58.24 2x6i n SER 854 Cb 0.24 -1.06 -0.09 0.00 -0.75 0.00 0.00 64.21 62.56 2x6i n SER 854 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2x6i h GLU 855 N 0.54 0.12 -1.02 -1.46 4.81 -1.89 -3.16 114.58 112.52 2x6i h GLU 855 Ca -0.41 -0.06 0.28 0.00 -0.13 0.00 0.00 59.36 59.04 2x6i h GLU 855 Cb 1.41 -0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.66 2x6i h GLU 855 CO 0.49 0.53 0.61 0.45 -0.73 0.00 0.00 179.01 180.35 2x6i h HIS 856 N -0.28 0.93 -0.44 0.92 3.86 -1.93 0.19 115.15 118.40 2x6i h HIS 856 Ca 0.01 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.26 2x6i h HIS 856 Cb 0.49 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 2x6i h HIS 856 CO 0.08 -0.01 0.29 1.25 0.86 0.00 0.00 177.93 180.39 2x6i h HIS 857 N 0.47 0.54 -0.17 2.45 -0.00 -1.77 0.23 115.15 116.91 2x6i h HIS 857 Ca 0.67 0.01 -0.18 0.00 -0.00 0.00 0.00 60.37 60.88 2x6i h HIS 857 Cb 1.44 -0.18 -0.00 0.00 -0.00 0.00 0.00 27.41 28.66 2x6i h HIS 857 CO -0.01 0.34 -0.62 1.25 -0.00 0.00 0.00 177.93 178.89 2x6i h HIS 858 N 0.58 0.76 -0.52 5.26 6.17 -0.67 -1.86 115.15 124.88 2x6i h HIS 858 Ca 0.16 -0.29 -0.07 0.00 0.71 0.00 0.00 60.37 60.88 2x6i h HIS 858 Cb -0.05 -0.13 -0.02 0.00 2.52 0.00 0.00 27.41 29.72 2x6i h HIS 858 CO -0.00 1.06 0.04 0.93 0.71 0.00 0.00 177.93 180.67 2x6i h GLU 859 N 0.44 0.85 0.38 5.26 4.39 -0.74 -2.02 114.58 123.14 2x6i h GLU 859 Ca -0.01 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 2x6i h GLU 859 Cb 1.19 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 2x6i h GLU 859 CO 0.12 0.82 -0.24 0.35 -1.16 0.00 0.00 179.01 178.90 2x6i h PHE 860 N 0.80 -0.63 -0.45 4.33 3.57 -0.37 -2.08 116.94 122.11 2x6i h PHE 860 Ca 0.16 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.67 2x6i h PHE 860 Cb 0.42 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.36 2x6i h PHE 860 CO 0.02 -0.37 0.27 0.00 -2.23 0.00 0.00 178.31 176.00 2x6i h ARG 861 N -0.60 0.52 -0.78 1.11 3.08 -1.29 -2.00 114.38 114.42 2x6i h ARG 861 Ca -0.04 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.02 2x6i h ARG 861 Cb 0.50 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 2x6i h ARG 861 CO 0.03 0.35 0.51 -0.22 -1.07 0.00 0.00 179.97 179.57 2x6i h LYS 862 N 0.54 0.91 -0.84 0.04 3.64 -1.24 -1.51 116.57 118.11 2x6i h LYS 862 Ca 0.18 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 2x6i h LYS 862 Cb 0.00 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 31.58 2x6i h LYS 862 CO -0.08 0.60 0.39 0.37 -2.27 0.00 0.00 179.45 178.46 2x6i h GLN 863 N 0.94 1.22 -0.52 1.90 5.75 -0.64 -2.93 115.11 120.82 2x6i h GLN 863 Ca 0.31 -0.19 -0.03 0.00 -0.15 0.00 0.00 58.65 58.59 2x6i h GLN 863 Cb 0.07 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 2x6i h GLN 863 CO -0.09 0.95 0.20 0.00 -2.65 0.00 0.00 178.83 177.23 2x6i h TYR 865 N 0.70 0.09 -0.43 0.00 0.05 -1.38 -0.70 116.97 115.31 2x6i h TYR 865 Ca 0.17 -0.01 -0.11 0.00 0.05 0.00 0.00 58.73 58.83 2x6i h TYR 865 Cb 0.22 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.92 2x6i h TYR 865 CO 0.01 0.28 -0.18 1.79 -1.05 0.00 0.00 178.16 179.00 2x6i h THR 866 N -0.12 1.27 0.11 -2.88 1.35 -1.45 0.24 112.91 111.43 2x6i h THR 866 Ca 0.02 -1.30 0.02 0.00 -0.55 0.00 0.00 66.41 64.60 2x6i h THR 866 Cb 0.23 1.13 -0.03 0.00 -1.73 0.00 0.00 68.15 67.75 2x6i h THR 866 CO -0.00 0.44 -0.26 0.00 -0.25 0.00 0.00 175.52 175.45 2x6i h ALA 867 N 1.05 -0.44 -0.86 6.62 0.00 -1.08 -0.75 119.26 123.81 2x6i h ALA 867 Ca 0.11 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.11 2x6i h ALA 867 Cb 0.70 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 2x6i h ALA 867 CO 0.05 -0.80 0.47 -0.92 0.00 0.00 0.00 179.25 178.06 2x6i h TYR 868 N -0.47 0.84 -0.50 0.00 3.20 -0.46 -1.21 116.97 118.38 2x6i h TYR 868 Ca 0.03 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.82 2x6i h TYR 868 Cb 0.50 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 2x6i h TYR 868 CO -0.24 0.26 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.31 2x6i h LEU 869 N 0.72 0.98 -0.02 2.82 3.38 -0.07 -2.37 115.31 120.75 2x6i h LEU 869 Ca 0.45 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2x6i h LEU 869 Cb 0.55 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2x6i h LEU 869 CO -0.32 1.12 -0.00 0.45 0.09 0.00 0.00 178.44 179.79 2x6i h HIS 870 N 0.86 0.04 -0.41 1.13 3.86 -0.30 -3.09 115.15 117.24 2x6i h HIS 870 Ca 0.12 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 2x6i h HIS 870 Cb 0.72 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.16 2x6i h HIS 870 CO 0.05 0.36 0.23 -0.07 0.86 0.00 0.00 177.93 179.35 2x6i h LEU 871 N -0.28 0.49 -1.28 2.43 3.38 -1.22 0.22 115.31 119.06 2x6i h LEU 871 Ca 0.01 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.03 2x6i h LEU 871 Cb 0.34 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 2x6i h LEU 871 CO 0.00 0.40 0.54 0.03 0.09 0.00 0.00 178.44 179.49 2x6i h ARG 872 N 0.56 0.81 0.00 1.13 3.08 -1.35 -1.34 114.38 117.28 2x6i h ARG 872 Ca 0.15 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 2x6i h ARG 872 Cb 0.01 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 2x6i h ARG 872 CO -0.03 0.54 -0.20 0.00 -1.07 0.00 0.00 179.97 179.22 2x6i h ARG 873 N 0.84 0.00 -1.29 0.04 3.08 -0.48 -2.54 114.38 114.02 2x6i h ARG 873 Ca 0.37 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.80 2x6i h ARG 873 Cb 0.34 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 30.01 2x6i h ARG 873 CO -0.14 0.20 -0.22 0.72 -1.07 0.00 0.00 179.97 179.45 2x6i n HIS 874 N -3.64 3.11 -0.04 3.04 8.25 -0.51 -4.70 115.22 120.73 2x6i n HIS 874 Ca -0.01 -2.69 -0.14 0.00 -0.26 0.00 0.00 57.72 54.61 2x6i n HIS 874 Cb 0.33 -0.55 -0.08 0.00 1.12 0.00 0.00 29.99 30.81 2x6i n HIS 874 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2x6i h ALA 875 N 2.45 0.16 -0.69 -1.41 0.00 -1.34 -3.33 119.26 115.10 2x6i h ALA 875 Ca 0.41 -0.37 0.08 0.00 0.00 0.00 0.00 54.91 55.03 2x6i h ALA 875 Cb 0.94 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.60 2x6i h ALA 875 CO 1.03 0.10 -0.50 -0.91 0.00 0.00 0.00 179.25 178.97 2x6i h ASN 876 N -0.14 -1.76 -0.66 0.00 2.35 -1.86 -0.45 115.58 113.07 2x6i h ASN 876 Ca 0.00 0.27 0.10 0.00 -0.55 0.00 0.00 56.30 56.13 2x6i h ASN 876 Cb 0.79 0.78 -0.12 0.00 0.05 0.00 0.00 38.32 39.83 2x6i h ASN 876 CO 0.05 -0.32 -0.42 0.58 -1.65 0.00 0.00 177.43 175.67 2x6i h VAL 877 N -0.19 0.09 -0.54 2.81 2.07 -1.94 -1.70 116.25 116.85 2x6i h VAL 877 Ca 0.16 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.64 2x6i h VAL 877 Cb 0.54 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2x6i h VAL 877 CO -0.76 0.00 0.16 0.24 0.02 0.00 0.00 177.57 177.23 2x6i h MET 878 N -0.17 0.85 -0.70 1.57 2.86 -1.26 -2.32 114.93 115.76 2x6i h MET 878 Ca 0.21 -0.19 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 2x6i h MET 878 Cb 0.56 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 2x6i h MET 878 CO -0.74 0.79 0.21 -0.07 1.06 0.00 0.00 176.91 178.16 2x6i h LEU 879 N 0.75 1.03 -0.53 1.22 3.38 -0.59 0.76 115.31 121.34 2x6i h LEU 879 Ca 0.17 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 2x6i h LEU 879 Cb 0.30 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2x6i h LEU 879 CO -0.00 0.97 0.16 0.78 0.09 0.00 0.00 178.44 180.44 2x6i h ASN 880 N 1.04 0.78 -0.39 -0.43 2.35 -1.32 0.21 115.58 117.80 2x6i h ASN 880 Ca 0.22 -0.21 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2x6i h ASN 880 Cb 0.32 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 2x6i h ASN 880 CO -0.01 0.78 0.25 -0.07 -1.65 0.00 0.00 177.43 176.74 2x6i h LEU 881 N 0.73 0.47 -0.70 1.61 -0.00 -0.86 -2.17 115.31 114.39 2x6i h LEU 881 Ca 0.17 -0.04 -0.14 0.00 -0.00 0.00 0.00 57.88 57.88 2x6i h LEU 881 Cb 0.28 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 40.82 2x6i h LEU 881 CO -0.00 0.36 -0.49 -0.26 -0.00 0.00 0.00 178.44 178.05 2x6i h PHE 882 N 0.53 0.49 -0.59 1.13 0.04 -0.72 -2.45 116.94 115.37 2x6i h PHE 882 Ca 0.14 -0.16 0.10 0.00 2.80 0.00 0.00 57.97 60.86 2x6i h PHE 882 Cb -0.03 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 37.99 2x6i h PHE 882 CO -0.04 0.81 0.40 0.77 -0.60 0.00 0.00 178.31 179.65 2x6i h SER 883 N 0.32 0.34 0.86 2.17 0.02 -0.13 0.73 113.55 117.86 2x6i h SER 883 Ca 0.02 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2x6i h SER 883 Cb 0.98 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.45 2x6i h SER 883 CO 0.08 0.20 0.00 0.18 -1.14 0.00 0.00 176.83 176.16 2x6i n LEU 884 N -4.47 0.00 -1.25 5.07 4.77 -0.86 -2.94 117.00 117.32 2x6i n LEU 884 Ca 0.10 0.44 0.09 0.00 -0.03 0.00 0.00 56.01 56.60 2x6i n LEU 884 Cb 0.39 -0.44 0.29 0.00 -2.33 0.00 0.00 43.42 41.32 2x6i n LEU 884 CO 0.34 -0.01 0.74 0.23 -1.33 0.00 0.00 177.39 177.36 2x6i n MET 885 N -1.44 2.85 -0.01 3.23 2.81 0.25 -4.57 117.12 120.24 2x6i n MET 885 Ca 0.09 -2.29 -0.10 0.00 -1.81 0.00 0.00 57.70 53.59 2x6i n MET 885 Cb 0.31 -1.63 -0.04 0.00 -0.71 0.00 0.00 33.22 31.14 2x6i n MET 885 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2x6i h VAL 886 N 3.50 0.94 -1.63 2.03 2.07 -1.52 -2.96 116.25 118.68 2x6i h VAL 886 Ca 0.00 -0.03 -0.70 0.00 0.82 0.00 0.00 66.70 66.80 2x6i h VAL 886 Cb 1.04 0.86 -0.25 0.00 -1.52 0.00 0.00 31.29 31.41 2x6i h VAL 886 CO 0.10 0.01 0.91 0.47 0.02 0.00 0.00 177.57 179.08 2x6i n ASP 887 N -5.09 7.37 0.09 0.57 8.00 -1.26 -4.76 116.55 121.48 2x6i n ASP 887 Ca -0.04 -3.71 -0.21 0.00 0.71 0.00 0.00 54.79 51.54 2x6i n ASP 887 Cb 0.07 -1.08 -0.15 0.00 -0.02 0.00 0.00 41.12 39.94 2x6i n ASP 887 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2x6i h ALA 888 N 2.77 0.11 0.00 2.24 0.00 -1.84 -3.48 119.26 119.05 2x6i h ALA 888 Ca 0.54 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2x6i h ALA 888 Cb 0.30 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2x6i h ALA 888 CO 1.36 0.98 0.00 -2.37 0.00 0.00 0.00 179.25 179.21 2x6i n THR 889 N -3.58 0.00 -2.02 0.00 5.66 -1.26 -5.05 114.28 108.04 2x6i n THR 889 Ca -0.19 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.39 2x6i n THR 889 Cb 1.07 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.83 2x6i n THR 889 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2x6i s VAL 890 N -2.64 2.74 0.39 1.08 1.01 -1.26 -4.93 120.40 116.79 2x6i s VAL 890 Ca 0.00 0.58 0.13 0.00 0.00 0.00 0.00 61.98 62.69 2x6i s VAL 890 Cb 0.00 -3.37 0.35 0.00 0.00 0.00 0.00 36.38 33.35 2x6i s VAL 890 CO 0.00 0.08 1.87 1.55 0.00 0.00 0.00 175.10 178.60 2x6i h PRO 891 N 5.67 0.53 0.00 2.72 0.13 -1.97 -2.23 132.00 136.85 2x6i h PRO 891 Ca -0.45 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2x6i h PRO 891 Cb 1.21 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2x6i h PRO 891 CO 0.82 0.35 -0.63 -0.44 -0.23 0.00 0.00 178.00 177.87 2x6i h ASP 892 N 0.55 0.00 0.20 1.44 5.19 -1.93 -2.77 116.42 119.10 2x6i h ASP 892 Ca 0.44 -0.18 -0.30 0.00 -0.62 0.00 0.00 57.03 56.37 2x6i h ASP 892 Cb 0.88 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.42 2x6i h ASP 892 CO -0.18 0.09 -1.38 0.40 -3.12 0.00 0.00 179.24 175.04 2x6i h ILE 893 N 0.00 1.22 -0.97 0.35 2.04 -1.87 -3.38 117.51 114.91 2x6i h ILE 893 Ca 0.00 -2.58 0.13 0.00 1.00 0.00 0.00 64.86 63.41 2x6i h ILE 893 Cb 0.78 2.98 -0.08 0.00 -0.74 0.00 0.00 36.82 39.76 2x6i h ILE 893 CO 0.00 0.79 0.62 0.00 0.00 0.00 0.00 178.15 179.55 2x6i h ALA 894 N 0.10 1.61 0.41 1.87 0.00 -1.33 0.14 119.26 122.05 2x6i h ALA 894 Ca -0.26 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2x6i h ALA 894 Cb 1.98 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 2x6i h ALA 894 CO 0.20 0.15 -0.42 -0.07 0.00 0.00 0.00 179.25 179.11 2x6i h LEU 895 N 0.91 -1.14 -6.58 0.00 4.07 -1.66 -3.35 115.31 107.55 2x6i h LEU 895 Ca 0.48 0.10 -0.60 0.00 0.08 0.00 0.00 57.88 57.94 2x6i h LEU 895 Cb 0.55 0.38 -0.40 0.00 1.08 0.00 0.00 40.66 42.28 2x6i h LEU 895 CO -0.25 -0.57 -0.80 -0.62 -1.08 0.00 0.00 178.44 175.12 2x6i n GLU 896 N -5.51 1.11 -0.01 1.13 1.02 -1.10 -5.01 120.64 112.27 2x6i n GLU 896 Ca -0.11 -3.83 -0.09 0.00 -0.02 0.00 0.00 57.16 53.11 2x6i n GLU 896 Cb 0.41 -1.92 -0.03 0.00 -0.02 0.00 0.00 31.44 29.88 2x6i n GLU 896 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2x6i h PRO 897 N 5.22 -0.28 -0.03 3.49 0.11 -0.87 -0.38 132.00 139.26 2x6i h PRO 897 Ca 0.20 0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.34 2x6i h PRO 897 Cb 0.82 0.06 -0.05 0.00 0.11 0.00 0.00 31.00 31.95 2x6i h PRO 897 CO 0.56 -0.18 -0.45 0.38 -0.21 0.00 0.00 178.00 178.10 2x6i h ASP 898 N -0.29 -1.39 0.81 -2.05 3.04 -1.91 -2.99 116.42 111.63 2x6i h ASP 898 Ca 0.11 0.16 0.00 0.00 -3.24 0.00 0.00 57.03 54.06 2x6i h ASP 898 Cb 0.45 0.53 0.00 0.00 -1.04 0.00 0.00 39.33 39.27 2x6i h ASP 898 CO -0.32 -0.42 0.00 0.11 -2.04 0.00 0.00 179.24 176.57 2x6i h LYS 899 N -0.54 0.00 0.19 4.15 1.57 -1.90 -3.34 116.57 116.70 2x6i h LYS 899 Ca 0.01 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2x6i h LYS 899 Cb 0.59 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 2x6i h LYS 899 CO -0.32 0.00 -0.35 0.00 -0.57 0.00 0.00 179.45 178.21 2x6i h ALA 900 N 2.11 -0.66 -0.80 3.86 0.00 -0.91 -2.22 119.26 120.64 2x6i h ALA 900 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2x6i h ALA 900 Cb 0.40 0.56 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 2x6i h ALA 900 CO 0.00 -0.93 0.53 0.28 0.00 0.00 0.00 179.25 179.13 2x6i h VAL 901 N -0.63 1.13 -0.01 0.00 2.07 -1.72 -2.53 116.25 114.56 2x6i h VAL 901 Ca 0.01 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2x6i h VAL 901 Cb 0.63 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2x6i h VAL 901 CO -0.16 0.18 0.01 0.11 0.02 0.00 0.00 177.57 177.73 2x6i h LYS 902 N 0.99 0.00 0.24 1.57 1.79 -1.59 -3.18 116.57 116.39 2x6i h LYS 902 Ca 0.32 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.46 2x6i h LYS 902 Cb 0.03 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.72 2x6i h LYS 902 CO -0.09 0.00 -1.44 0.87 -1.08 0.00 0.00 179.45 177.70 2x6i h LYS 903 N 0.00 0.50 -0.77 3.15 1.57 -1.02 -3.05 116.57 116.95 2x6i h LYS 903 Ca 0.00 -0.86 -0.03 0.00 -1.87 0.00 0.00 60.65 57.90 2x6i h LYS 903 Cb 0.02 0.32 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 2x6i h LYS 903 CO -0.00 1.41 0.37 0.28 -0.57 0.00 0.00 179.45 180.94 2x6i h VAL 904 N 0.08 1.24 0.00 0.50 2.07 -1.66 -2.77 116.25 115.71 2x6i h VAL 904 Ca -0.26 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 2x6i h VAL 904 Cb 2.11 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 2x6i h VAL 904 CO 0.25 0.29 -0.15 -0.08 0.02 0.00 0.00 177.57 177.89 2x6i h GLU 905 N 1.09 0.00 0.05 1.57 4.81 -1.56 -0.82 114.58 119.73 2x6i h GLU 905 Ca 0.27 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 59.24 2x6i h GLU 905 Cb 0.10 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.50 2x6i h GLU 905 CO -0.03 0.15 -1.07 0.93 -0.73 0.00 0.00 179.01 178.26 2x6i h GLU 906 N 0.00 0.48 -0.46 1.92 5.08 -1.38 -3.08 114.58 117.14 2x6i h GLU 906 Ca -0.00 -0.58 -0.01 0.00 -1.00 0.00 0.00 59.36 57.77 2x6i h GLU 906 Cb 0.38 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2x6i h GLU 906 CO 0.02 1.22 0.26 -0.91 -1.00 0.00 0.00 179.01 178.60 2x6i h ASN 907 N 0.24 0.55 0.51 1.42 2.35 -1.03 -1.86 115.58 117.76 2x6i h ASN 907 Ca -0.12 -0.03 -0.14 0.00 -0.55 0.00 0.00 56.30 55.46 2x6i h ASN 907 Cb 1.73 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.95 2x6i h ASN 907 CO 0.19 0.44 -0.63 -0.07 -1.65 0.00 0.00 177.43 175.71 2x6i h LEU 908 N 0.64 0.13 -1.25 1.61 3.38 -1.47 -3.48 115.31 114.88 2x6i h LEU 908 Ca 0.17 -0.08 -0.33 0.00 0.09 0.00 0.00 57.88 57.73 2x6i h LEU 908 Cb 0.00 -0.04 0.14 0.00 0.09 0.00 0.00 40.66 40.85 2x6i h LEU 908 CO -0.03 0.73 -0.64 1.67 0.09 0.00 0.00 178.44 180.25 2x6i n GLN 909 N -3.82 -6.57 0.23 1.13 -0.06 -0.70 -4.83 117.38 102.76 2x6i n GLN 909 Ca -0.02 0.75 0.16 0.00 -2.00 0.00 0.00 57.00 55.89 2x6i n GLN 909 Cb 0.63 -5.52 0.74 0.00 -4.06 0.00 0.00 30.24 22.03 2x6i n GLN 909 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 2x6i h LEU 910 N -2.08 0.00 -1.80 1.69 3.38 -1.86 -0.42 115.31 114.22 2x6i h LEU 910 Ca -0.52 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.56 2x6i h LEU 910 Cb 1.32 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 2x6i h LEU 910 CO 0.47 0.00 0.36 1.23 0.09 0.00 0.00 178.44 180.59 2x6i h GLY 911 N 1.21 0.32 -4.43 0.83 0.00 -1.93 -3.43 103.07 95.65 2x6i h GLY 911 Ca 0.00 -0.09 -0.56 0.00 0.00 0.00 0.00 47.33 46.68 2x6i h GLY 911 CO 0.00 0.05 0.02 1.08 0.00 0.00 0.00 176.54 177.69 2x6i s LEU 912 N -9.10 4.52 1.02 3.11 1.43 -0.17 -5.06 118.68 114.43 2x6i s LEU 912 Ca -0.06 1.35 -0.12 0.00 -1.03 0.00 0.00 54.13 54.26 2x6i s LEU 912 Cb 0.19 -3.05 0.20 0.00 0.03 0.00 0.00 46.19 43.57 2x6i s LEU 912 CO 0.74 0.24 1.08 0.42 0.23 0.00 0.00 176.35 179.05 2x6i s THR 913 N -1.16 2.16 0.06 5.49 -4.23 -1.26 -4.64 115.64 112.06 2x6i s THR 913 Ca 0.32 0.05 -0.20 0.00 -1.18 0.00 0.00 61.69 60.68 2x6i s THR 913 Cb -0.20 -2.43 -0.11 0.00 1.34 0.00 0.00 72.50 71.10 2x6i s THR 913 CO 0.21 -0.07 1.48 0.44 -0.54 0.00 0.00 174.62 176.14 2x6i h ASP 914 N -2.01 0.33 -0.80 3.99 5.19 -1.97 0.41 116.42 121.55 2x6i h ASP 914 Ca -0.55 -0.33 0.18 0.00 -0.62 0.00 0.00 57.03 55.71 2x6i h ASP 914 Cb 1.32 -0.09 -0.12 0.00 0.18 0.00 0.00 39.33 40.63 2x6i h ASP 914 CO 0.55 0.58 0.26 -0.33 -3.12 0.00 0.00 179.24 177.18 2x6i h GLU 915 N 0.07 0.31 -0.36 3.56 3.07 -1.99 0.31 114.58 119.55 2x6i h GLU 915 Ca 0.05 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 58.80 2x6i h GLU 915 Cb 0.42 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 2x6i h GLU 915 CO 0.01 0.21 -0.13 0.93 -1.40 0.00 0.00 179.01 178.63 2x6i h GLU 916 N 0.32 0.73 0.05 2.33 5.08 -1.54 -1.48 114.58 120.06 2x6i h GLU 916 Ca 0.47 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2x6i h GLU 916 Cb 0.84 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2x6i h GLU 916 CO -0.52 0.90 -0.02 0.00 -1.00 0.00 0.00 179.01 178.37 2x6i h ALA 917 N 0.81 -0.07 -0.41 3.43 0.00 0.17 0.14 119.26 123.34 2x6i h ALA 917 Ca 0.09 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2x6i h ALA 917 Cb 0.66 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 2x6i h ALA 917 CO 0.04 -0.53 0.11 0.28 0.00 0.00 0.00 179.25 179.15 2x6i h VAL 918 N -0.07 0.82 0.05 0.00 2.07 -0.42 -2.17 116.25 116.53 2x6i h VAL 918 Ca -0.01 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.45 2x6i h VAL 918 Cb 0.06 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 2x6i h VAL 918 CO 0.01 0.04 -0.17 1.56 0.02 0.00 0.00 177.57 179.03 2x6i h GLN 919 N 0.25 -0.30 -0.97 1.57 4.20 -0.68 -0.44 115.11 118.74 2x6i h GLN 919 Ca 0.19 0.02 0.17 0.00 0.06 0.00 0.00 58.65 59.09 2x6i h GLN 919 Cb 0.21 0.07 -0.10 0.00 0.30 0.00 0.00 27.48 27.96 2x6i h GLN 919 CO -0.23 -0.20 0.58 1.25 -0.67 0.00 0.00 178.83 179.56 2x6i h HIS 920 N -0.31 1.02 -0.16 2.96 2.76 -0.15 -1.53 115.15 119.74 2x6i h HIS 920 Ca 0.04 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.11 2x6i h HIS 920 Cb 0.35 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.01 2x6i h HIS 920 CO -0.20 0.27 -0.40 1.25 -1.30 0.00 0.00 177.93 177.55 2x6i h LEU 921 N 0.78 0.63 -0.83 0.26 5.85 -0.66 -2.61 115.31 118.74 2x6i h LEU 921 Ca 0.54 -0.57 0.16 0.00 0.84 0.00 0.00 57.88 58.85 2x6i h LEU 921 Cb 0.77 -0.18 -0.10 0.00 0.37 0.00 0.00 40.66 41.51 2x6i h LEU 921 CO -0.36 1.09 0.38 -0.61 -0.34 0.00 0.00 178.44 178.61 2x6i h GLN 922 N 0.20 0.50 -0.26 1.25 4.15 -0.22 -0.97 115.11 119.77 2x6i h GLN 922 Ca -0.00 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.43 2x6i h GLN 922 Cb 1.01 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.55 2x6i h GLN 922 CO 0.09 0.33 0.00 1.03 -1.93 0.00 0.00 178.83 178.35 2x6i h SER 923 N 0.52 -0.09 -0.64 -0.69 0.87 -0.93 0.22 113.55 112.80 2x6i h SER 923 Ca 0.47 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 61.07 2x6i h SER 923 Cb 0.73 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.76 2x6i h SER 923 CO -0.41 -0.01 0.36 -0.07 -0.53 0.00 0.00 176.83 176.17 2x6i h LEU 924 N 0.08 0.78 -0.39 2.23 -0.00 -1.03 -1.78 115.31 115.20 2x6i h LEU 924 Ca 0.12 -0.08 -0.02 0.00 -0.00 0.00 0.00 57.88 57.91 2x6i h LEU 924 Cb 0.15 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 40.60 2x6i h LEU 924 CO -0.20 0.63 0.18 -0.07 -0.00 0.00 0.00 178.44 178.99 2x6i h LEU 925 N 0.86 0.52 -0.15 1.67 3.38 -0.84 -2.14 115.31 118.61 2x6i h LEU 925 Ca 0.23 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.10 2x6i h LEU 925 Cb 0.01 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2x6i h LEU 925 CO -0.04 0.51 -0.09 0.44 0.09 0.00 0.00 178.44 179.35 2x6i h ASP 926 N 0.49 -0.28 -0.01 -0.43 3.45 -0.55 0.69 116.42 119.78 2x6i h ASP 926 Ca 0.13 0.07 0.02 0.00 0.43 0.00 0.00 57.03 57.68 2x6i h ASP 926 Cb 0.13 0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 39.02 2x6i h ASP 926 CO -0.02 -0.12 -0.14 0.58 -1.57 0.00 0.00 179.24 177.97 2x6i h VAL 927 N -0.08 0.65 -0.48 -1.35 2.07 -1.13 -2.07 116.25 113.86 2x6i h VAL 927 Ca 0.09 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.49 2x6i h VAL 927 Cb 0.21 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2x6i h VAL 927 CO -0.20 0.00 -0.15 0.28 0.02 0.00 0.00 177.57 177.52 2x6i h SER 928 N -0.23 0.95 -0.11 0.57 0.02 -1.12 -2.14 113.55 111.48 2x6i h SER 928 Ca 0.05 -0.37 -0.01 0.00 -0.84 0.00 0.00 61.79 60.62 2x6i h SER 928 Cb 0.30 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 2x6i h SER 928 CO -0.14 1.11 0.03 0.40 -1.14 0.00 0.00 176.83 177.08 2x6i h ILE 929 N 0.79 1.20 -0.73 3.27 2.04 -0.73 -3.13 117.51 120.23 2x6i h ILE 929 Ca 0.12 -0.62 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 2x6i h ILE 929 Cb 0.71 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 2x6i h ILE 929 CO 0.05 0.18 0.24 0.71 0.00 0.00 0.00 178.15 179.34 2x6i h THR 930 N -0.02 1.26 -0.91 -0.27 1.35 -1.28 -1.73 112.91 111.31 2x6i h THR 930 Ca 0.04 -0.87 0.19 0.00 -0.55 0.00 0.00 66.41 65.21 2x6i h THR 930 Cb 0.26 0.45 -0.11 0.00 -1.73 0.00 0.00 68.15 67.02 2x6i h THR 930 CO 0.00 0.34 0.48 0.00 -0.25 0.00 0.00 175.52 176.09 2x6i h ALA 931 N 1.12 1.46 0.03 6.62 0.00 -1.35 -2.43 119.26 124.69 2x6i h ALA 931 Ca 0.24 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 2x6i h ALA 931 Cb 0.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2x6i h ALA 931 CO -0.01 -0.17 -0.01 0.28 0.00 0.00 0.00 179.25 179.34 2x6i h VAL 932 N 0.59 1.42 -3.49 0.00 2.07 -1.40 -3.45 116.25 111.98 2x6i h VAL 932 Ca 0.53 -1.76 -0.53 0.00 0.82 0.00 0.00 66.70 65.76 2x6i h VAL 932 Cb 0.88 2.55 0.09 0.00 -1.52 0.00 0.00 31.29 33.28 2x6i h VAL 932 CO -0.42 0.43 0.85 -0.04 0.02 0.00 0.00 177.57 178.40 2x6i s MET 933 N -2.87 4.13 0.18 1.57 -1.94 -0.69 -4.82 119.30 114.86 2x6i s MET 933 Ca -0.16 2.55 0.14 0.00 -1.71 0.00 0.00 55.69 56.50 2x6i s MET 933 Cb -0.01 -3.02 -0.06 0.00 2.01 0.00 0.00 34.83 33.75 2x6i s MET 933 CO 0.61 -0.58 1.22 -1.00 -0.01 0.00 0.00 175.02 175.25 2x6i h PRO 934 N 4.39 0.00 0.02 2.03 0.13 -1.88 -3.20 132.00 133.49 2x6i h PRO 934 Ca -0.48 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.43 2x6i h PRO 934 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2x6i h PRO 934 CO 0.75 0.56 -1.02 0.00 -0.23 0.00 0.00 178.00 178.06 2x6i h ALA 935 N 1.35 0.34 -0.18 -0.56 0.00 -1.91 -2.66 119.26 115.63 2x6i h ALA 935 Ca -0.06 -0.89 -0.18 0.00 0.00 0.00 0.00 54.91 53.79 2x6i h ALA 935 Cb 1.55 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 2x6i h ALA 935 CO 0.08 1.17 -0.61 -0.07 0.00 0.00 0.00 179.25 179.82 2x6i h LEU 936 N 0.02 0.72 -0.86 0.00 3.38 -1.84 -2.57 115.31 114.16 2x6i h LEU 936 Ca -0.03 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 2x6i h LEU 936 Cb 1.77 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 42.27 2x6i h LEU 936 CO 0.14 1.16 0.42 0.58 0.09 0.00 0.00 178.44 180.83 2x6i h VAL 937 N 0.47 1.26 -0.05 1.22 2.07 -1.57 -2.13 116.25 117.52 2x6i h VAL 937 Ca -0.01 -0.73 -0.10 0.00 0.82 0.00 0.00 66.70 66.69 2x6i h VAL 937 Cb 1.19 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2x6i h VAL 937 CO 0.12 0.31 -0.41 -0.33 0.02 0.00 0.00 177.57 177.29 2x6i h GLU 938 N 1.22 0.11 -0.06 1.57 5.08 -1.41 -1.57 114.58 119.53 2x6i h GLU 938 Ca 0.30 -0.05 -0.20 0.00 -1.00 0.00 0.00 59.36 58.41 2x6i h GLU 938 Cb 0.11 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2x6i h GLU 938 CO -0.04 0.51 -0.80 0.37 -1.00 0.00 0.00 179.01 178.05 2x6i h GLN 939 N 0.10 0.42 0.00 2.33 4.15 -1.26 -2.28 115.11 118.57 2x6i h GLN 939 Ca 0.01 -0.38 -0.05 0.00 0.77 0.00 0.00 58.65 59.00 2x6i h GLN 939 Cb 0.76 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.54 2x6i h GLN 939 CO 0.06 1.03 -0.22 0.82 -1.93 0.00 0.00 178.83 178.58 2x6i h ILE 940 N 0.27 0.97 -0.08 2.39 5.03 -0.80 -2.47 117.51 122.82 2x6i h ILE 940 Ca -0.05 -0.80 -0.02 0.00 -0.12 0.00 0.00 64.86 63.87 2x6i h ILE 940 Cb 1.39 1.46 -0.00 0.00 -3.03 0.00 0.00 36.82 36.64 2x6i h ILE 940 CO 0.14 0.21 -0.04 -0.74 -0.68 0.00 0.00 178.15 177.04 2x6i h HIS 941 N 0.00 0.19 -0.34 1.37 2.76 -0.98 -2.56 115.15 115.60 2x6i h HIS 941 Ca -0.00 -0.05 -0.07 0.00 -2.20 0.00 0.00 60.37 58.05 2x6i h HIS 941 Cb 0.44 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 2x6i h HIS 941 CO 0.00 0.54 -0.10 0.00 -1.30 0.00 0.00 177.93 177.08 2x6i h ARG 942 N -0.22 0.58 -0.51 5.26 3.08 -1.16 -1.67 114.38 119.74 2x6i h ARG 942 Ca 0.02 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 2x6i h ARG 942 Cb 0.50 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 2x6i h ARG 942 CO 0.01 0.67 0.10 0.74 -1.07 0.00 0.00 179.97 180.43 2x6i h PHE 943 N 0.54 0.82 -0.77 3.04 0.05 -1.42 -2.13 116.94 117.06 2x6i h PHE 943 Ca 0.10 -0.08 -0.03 0.00 3.82 0.00 0.00 57.97 61.78 2x6i h PHE 943 Cb 0.49 -0.24 -0.03 0.00 2.00 0.00 0.00 35.95 38.17 2x6i h PHE 943 CO 0.02 0.70 0.35 1.15 -0.18 0.00 0.00 178.31 180.35 2x6i h THR 944 N 0.76 1.25 -0.02 -1.55 2.02 -0.90 -1.67 112.91 112.80 2x6i h THR 944 Ca 0.17 -0.74 0.01 0.00 0.77 0.00 0.00 66.41 66.62 2x6i h THR 944 Cb 0.31 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 2x6i h THR 944 CO 0.00 0.31 0.02 -0.61 0.37 0.00 0.00 175.52 175.61 2x6i h GLN 945 N 1.10 0.00 0.11 6.66 5.75 -0.70 -3.29 115.11 124.74 2x6i h GLN 945 Ca 0.26 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.76 2x6i h GLN 945 Cb 0.15 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.70 2x6i h GLN 945 CO -0.03 0.00 -0.05 -0.92 -2.65 0.00 0.00 178.83 175.18 2x6i h TYR 946 N 0.00 -0.13 -0.02 3.99 3.20 -1.06 -3.24 116.97 119.71 2x6i h TYR 946 Ca 0.01 -0.00 -0.17 0.00 3.14 0.00 0.00 58.73 61.71 2x6i h TYR 946 Cb 0.05 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 2x6i h TYR 946 CO 0.00 0.05 -0.75 -1.49 -1.64 0.00 0.00 178.16 174.34 2x6i h TRP 947 N -0.30 0.22 -3.43 -3.82 4.06 -1.72 -3.42 115.95 107.54 2x6i h TRP 947 Ca -0.01 -0.11 -0.53 0.00 2.06 0.00 0.00 58.89 60.30 2x6i h TRP 947 Cb 0.25 -0.03 0.09 0.00 -1.00 0.00 0.00 29.16 28.47 2x6i h TRP 947 CO -0.02 0.85 0.88 0.50 -3.56 0.00 0.00 178.44 177.09 2x6i s ARG 948 N -3.43 4.11 0.00 0.49 3.52 -1.22 -5.21 118.95 117.21 2x6i s ARG 948 Ca -0.03 2.60 0.00 0.00 -0.13 0.00 0.00 55.73 58.17 2x6i s ARG 948 Cb 0.11 -3.01 0.00 0.00 -1.56 0.00 0.00 34.95 30.49 2x6i s ARG 948 CO 0.81 -0.63 0.00 1.17 -0.81 0.00 0.00 175.30 175.83