#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x6i h SER 292 N 0.00 0.03 -0.03 0.00 0.02 -2.05 -3.35 113.55 108.17 2x6i h SER 292 Ca 0.00 -0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 60.82 2x6i h SER 292 Cb 0.00 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 2x6i h SER 292 CO 0.00 1.05 -0.18 0.40 -1.14 0.00 0.00 176.83 176.97 2x6i h ILE 293 N 0.00 1.23 -0.98 3.27 2.04 -2.05 -0.70 117.51 120.31 2x6i h ILE 293 Ca -0.29 -1.04 0.04 0.00 1.00 0.00 0.00 64.86 64.57 2x6i h ILE 293 Cb 2.01 1.26 -0.06 0.00 -0.74 0.00 0.00 36.82 39.29 2x6i h ILE 293 CO 0.08 0.33 0.65 0.08 0.00 0.00 0.00 178.15 179.29 2x6i h ARG 294 N 0.35 1.21 0.00 2.37 0.11 -2.02 -2.11 114.38 114.29 2x6i h ARG 294 Ca 0.06 -0.07 -0.13 0.00 0.10 0.00 0.00 59.98 59.94 2x6i h ARG 294 Cb 0.52 -0.27 -0.02 0.00 1.11 0.00 0.00 29.97 31.30 2x6i h ARG 294 CO 0.03 0.80 -1.31 -0.40 0.10 0.00 0.00 179.97 179.19 2x6i n ASP 295 N -4.44 0.86 0.10 0.08 5.68 -1.07 -3.86 116.55 113.91 2x6i n ASP 295 Ca 0.13 0.37 0.01 0.00 -0.50 0.00 0.00 54.79 54.80 2x6i n ASP 295 Cb 0.10 0.23 0.35 0.00 -1.14 0.00 0.00 41.12 40.66 2x6i n ASP 295 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 2x6i h GLN 296 N 0.00 0.26 0.00 0.11 5.75 -0.48 0.45 115.11 121.20 2x6i h GLN 296 Ca -0.12 -0.07 -0.07 0.00 -0.15 0.00 0.00 58.65 58.23 2x6i h GLN 296 Cb 1.44 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.95 2x6i h GLN 296 CO 0.03 0.43 -0.34 -0.07 -2.65 0.00 0.00 178.83 176.24 2x6i h LEU 297 N 0.24 0.00 0.08 -2.39 3.38 -1.55 -3.26 115.31 111.82 2x6i h LEU 297 Ca 0.05 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.68 2x6i h LEU 297 Cb 0.45 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 2x6i h LEU 297 CO 0.03 0.34 -1.86 0.45 0.09 0.00 0.00 178.44 177.49 2x6i h HIS 298 N 0.00 0.32 0.00 1.13 3.86 -0.41 -3.33 115.15 116.73 2x6i h HIS 298 Ca -0.00 -0.24 -0.03 0.00 -1.16 0.00 0.00 60.37 58.94 2x6i h HIS 298 Cb 0.88 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.33 2x6i h HIS 298 CO 0.00 1.49 -0.13 1.79 0.86 0.00 0.00 177.93 181.95 2x6i h THR 299 N 0.05 0.70 -0.08 2.45 1.35 -0.67 0.27 112.91 116.97 2x6i h THR 299 Ca -0.36 -0.52 -0.15 0.00 -0.55 0.00 0.00 66.41 64.83 2x6i h THR 299 Cb 2.03 1.32 -0.01 0.00 -1.73 0.00 0.00 68.15 69.75 2x6i h THR 299 CO 0.09 0.12 -0.62 0.40 -0.25 0.00 0.00 175.52 175.27 2x6i h ILE 300 N 0.00 1.38 0.04 6.82 1.08 -1.68 -3.13 117.51 122.02 2x6i h ILE 300 Ca -0.00 -1.99 -0.35 0.00 -0.39 0.00 0.00 64.86 62.13 2x6i h ILE 300 Cb 0.31 2.00 -0.05 0.00 -3.07 0.00 0.00 36.82 36.01 2x6i h ILE 300 CO 0.02 0.59 -2.07 0.52 -0.69 0.00 0.00 178.15 176.52 2x6i n VAL 301 N -3.87 1.60 0.21 1.67 0.31 -0.35 -3.18 118.33 114.71 2x6i n VAL 301 Ca -0.03 -0.73 0.07 0.00 -0.01 0.00 0.00 64.34 63.65 2x6i n VAL 301 Cb 0.63 -1.20 0.46 0.00 -0.91 0.00 0.00 33.84 32.82 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 0.02 0.00 -0.26 3.52 0.05 -0.64 -3.38 116.97 116.29 2x6i h TYR 302 Ca -0.43 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.14 2x6i h TYR 302 Cb 2.05 0.00 -0.32 0.00 1.01 0.00 0.00 36.73 39.47 2x6i h TYR 302 CO 0.03 0.29 -0.85 0.54 -1.05 0.00 0.00 178.16 177.12 2x6i n ARG 303 N -3.71 1.39 0.02 4.88 1.74 -1.18 -4.59 116.66 115.21 2x6i n ARG 303 Ca -0.01 -2.65 0.00 0.00 -0.77 0.00 0.00 57.85 54.42 2x6i n ARG 303 Cb 0.40 -0.82 0.00 0.00 -1.02 0.00 0.00 32.46 31.02 2x6i n ARG 303 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2x6i n TYR 304 N -0.72 -0.22 -4.25 -1.55 0.53 -1.19 -4.93 117.16 104.82 2x6i n TYR 304 Ca -0.01 0.04 -0.21 0.00 -1.02 0.00 0.00 57.90 56.69 2x6i n TYR 304 Cb 0.85 0.17 -0.12 0.00 -1.03 0.00 0.00 39.34 39.21 2x6i n TYR 304 CO 0.00 0.00 0.00 -1.25 -1.02 0.00 0.00 176.86 174.59 2x6i s PRO 305 N -1.26 1.04 0.00 -0.72 0.05 -1.26 -4.90 135.00 127.95 2x6i s PRO 305 Ca 0.00 -1.14 0.23 0.00 0.05 0.00 0.00 61.00 60.14 2x6i s PRO 305 Cb 0.00 -1.16 0.30 0.00 0.05 0.00 0.00 34.50 33.69 2x6i s PRO 305 CO 0.00 0.26 1.31 -0.35 0.05 0.00 0.00 177.00 178.27 2x6i n PRO 306 N 0.97 2.35 0.00 0.56 -0.04 -1.26 -4.26 135.00 133.32 2x6i n PRO 306 Ca -0.19 -2.08 0.00 0.00 -0.04 0.00 0.00 63.50 61.19 2x6i n PRO 306 Cb 0.55 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2x6i n PRO 306 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2x6i n THR 307 N 1.38 0.43 -1.98 0.52 -2.24 -1.26 -5.05 114.28 106.09 2x6i n THR 307 Ca 0.16 -0.53 -0.41 0.00 -2.27 0.00 0.00 64.05 61.00 2x6i n THR 307 Cb 0.59 0.90 -0.02 0.00 -2.10 0.00 0.00 70.33 69.70 2x6i n THR 307 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2x6i s TYR 308 N -0.43 2.99 0.12 4.78 4.12 -1.26 -4.89 117.35 122.78 2x6i s TYR 308 Ca 0.00 0.96 -0.03 0.00 0.02 0.00 0.00 57.07 58.02 2x6i s TYR 308 Cb 0.00 -3.86 -0.12 0.00 -1.52 0.00 0.00 41.96 36.46 2x6i s TYR 308 CO 0.00 -2.85 1.28 0.28 0.02 0.00 0.00 175.55 174.29 2x6i h VAL 309 N 3.56 1.44 -0.21 0.71 2.07 -1.97 -3.42 116.25 118.44 2x6i h VAL 309 Ca -0.46 -2.62 0.06 0.00 0.82 0.00 0.00 66.70 64.51 2x6i h VAL 309 Cb 1.22 2.55 -0.04 0.00 -1.52 0.00 0.00 31.29 33.49 2x6i h VAL 309 CO 0.79 0.77 0.02 0.00 0.02 0.00 0.00 177.57 179.17 2x6i n LEU 310 N -3.68 -0.01 -4.44 2.57 -0.00 -1.26 -4.37 117.00 105.81 2x6i n LEU 310 Ca -0.06 0.35 -0.48 0.00 -0.00 0.00 0.00 56.01 55.82 2x6i n LEU 310 Cb 0.87 -0.13 -0.09 0.00 -0.00 0.00 0.00 43.42 44.07 2x6i n LEU 310 CO 0.51 -0.36 1.92 -1.54 -0.00 0.00 0.00 177.39 177.92 2x6i n SER 311 N -3.96 1.51 0.00 1.45 3.41 -1.26 -4.71 113.62 110.05 2x6i n SER 311 Ca 0.05 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 2x6i n SER 311 Cb 0.18 -1.17 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 2x6i n SER 311 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2x6i n SER 312 N 10.54 0.00 0.08 4.04 7.64 -1.26 -4.71 113.62 129.94 2x6i n SER 312 Ca 0.49 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 60.30 2x6i n SER 312 Cb 0.19 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.34 2x6i n SER 312 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2x6i h GLU 313 N 0.00 0.06 -0.47 1.43 4.39 -1.99 -3.32 114.58 114.68 2x6i h GLU 313 Ca 0.00 -0.08 0.10 0.00 0.34 0.00 0.00 59.36 59.72 2x6i h GLU 313 Cb 0.00 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 2x6i h GLU 313 CO 0.00 0.94 0.32 0.93 -1.16 0.00 0.00 179.01 180.05 2x6i h GLU 314 N 0.03 0.19 -0.92 2.33 5.08 -1.89 -1.90 114.58 117.50 2x6i h GLU 314 Ca -0.03 -0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.44 2x6i h GLU 314 Cb 1.62 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 30.75 2x6i h GLU 314 CO 0.13 0.13 0.59 1.96 -1.00 0.00 0.00 179.01 180.81 2x6i h GLN 315 N 0.20 0.83 0.00 2.33 4.20 -1.85 -0.37 115.11 120.45 2x6i h GLN 315 Ca 0.22 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.74 2x6i h GLN 315 Cb 0.61 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 2x6i h GLN 315 CO -0.04 0.55 -0.66 -0.44 -0.67 0.00 0.00 178.83 177.57 2x6i h ASP 316 N 0.85 0.00 -0.17 1.46 3.32 -1.61 -2.69 116.42 117.58 2x6i h ASP 316 Ca 0.44 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.41 2x6i h ASP 316 Cb 0.52 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 2x6i h ASP 316 CO -0.21 0.66 -0.16 -0.07 -1.72 0.00 0.00 179.24 177.75 2x6i h LEU 317 N 0.00 0.56 -0.07 1.55 3.38 -1.15 -2.75 115.31 116.83 2x6i h LEU 317 Ca -0.01 -0.16 -0.21 0.00 0.09 0.00 0.00 57.88 57.59 2x6i h LEU 317 Cb 1.33 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 2x6i h LEU 317 CO 0.09 0.74 -0.98 0.58 0.09 0.00 0.00 178.44 178.95 2x6i h VAL 318 N 0.52 1.67 -0.55 1.22 2.07 -1.28 -3.31 116.25 116.58 2x6i h VAL 318 Ca 0.09 -3.25 0.11 0.00 0.82 0.00 0.00 66.70 64.47 2x6i h VAL 318 Cb 0.57 2.78 -0.03 0.00 -1.52 0.00 0.00 31.29 33.09 2x6i h VAL 318 CO 0.04 0.93 0.38 -0.25 0.02 0.00 0.00 177.57 178.69 2x6i h TRP 319 N 0.01 0.28 0.00 1.57 2.91 -1.17 0.12 115.95 119.68 2x6i h TRP 319 Ca -0.02 0.01 -0.33 0.00 1.13 0.00 0.00 58.89 59.67 2x6i h TRP 319 Cb 1.72 -0.09 -0.06 0.00 -0.51 0.00 0.00 29.16 30.22 2x6i h TRP 319 CO 0.01 0.13 -2.25 0.36 -1.03 0.00 0.00 178.44 175.66 2x6i n LYS 320 N -4.45 0.96 0.15 2.65 2.85 -1.24 -4.15 118.16 114.92 2x6i n LYS 320 Ca 0.09 0.02 0.12 0.00 -1.05 0.00 0.00 58.31 57.49 2x6i n LYS 320 Cb 0.44 -1.46 0.08 0.00 -0.65 0.00 0.00 35.03 33.44 2x6i n LYS 320 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 2x6i h PHE 321 N 0.00 0.00 -0.77 5.58 0.04 -1.62 -3.29 116.94 116.89 2x6i h PHE 321 Ca -0.49 0.00 0.15 0.00 2.80 0.00 0.00 57.97 60.42 2x6i h PHE 321 Cb 2.04 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 40.09 2x6i h PHE 321 CO 0.01 0.00 0.31 -0.09 -0.60 0.00 0.00 178.31 177.93 2x6i h ARG 322 N 0.00 0.43 -0.17 1.51 2.43 -1.13 0.29 114.38 117.74 2x6i h ARG 322 Ca 0.00 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.06 2x6i h ARG 322 Cb 0.99 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 2x6i h ARG 322 CO 0.00 0.28 -0.26 0.74 -1.51 0.00 0.00 179.97 179.22 2x6i h PHE 323 N 0.44 0.36 0.00 2.20 0.04 -1.77 -3.12 116.94 115.09 2x6i h PHE 323 Ca 0.42 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 61.12 2x6i h PHE 323 Cb 0.66 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.72 2x6i h PHE 323 CO -0.16 0.56 -0.24 1.88 -0.60 0.00 0.00 178.31 179.75 2x6i h TYR 324 N 0.29 0.00 -3.33 -0.55 0.99 -1.59 -3.44 116.97 109.34 2x6i h TYR 324 Ca 0.04 0.00 -0.66 0.00 2.00 0.00 0.00 58.73 60.11 2x6i h TYR 324 Cb 0.62 0.00 -0.38 0.00 1.00 0.00 0.00 36.73 37.96 2x6i h TYR 324 CO 0.01 0.00 -0.41 -0.48 -0.00 0.00 0.00 178.16 177.28 2x6i s LEU 325 N -7.26 5.00 -1.46 3.88 2.34 0.98 -4.92 118.68 117.23 2x6i s LEU 325 Ca -0.07 -3.39 -0.13 0.00 0.06 0.00 0.00 54.13 50.60 2x6i s LEU 325 Cb 0.01 -1.76 0.04 0.00 -0.56 0.00 0.00 46.19 43.92 2x6i s LEU 325 CO 0.10 -0.21 2.29 -1.54 -1.06 0.00 0.00 176.35 175.94 2x6i n SER 326 N 2.69 4.74 0.00 1.48 3.41 -1.18 -4.62 113.62 120.14 2x6i n SER 326 Ca 0.14 -2.84 0.00 0.00 -0.26 0.00 0.00 58.87 55.91 2x6i n SER 326 Cb 0.36 -1.62 0.00 0.00 -0.26 0.00 0.00 64.21 62.68 2x6i n SER 326 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2x6i n SER 327 N 5.43 0.00 -4.43 4.04 2.88 -1.26 -4.36 113.62 115.92 2x6i n SER 327 Ca 0.54 0.33 -0.21 0.00 -1.33 0.00 0.00 58.87 58.21 2x6i n SER 327 Cb 0.36 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.72 2x6i n SER 327 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2x6i s HIS 328 N -0.66 1.92 0.37 0.66 3.76 -1.26 -4.81 115.29 115.27 2x6i s HIS 328 Ca 0.00 -0.81 0.30 0.00 -0.15 0.00 0.00 55.06 54.40 2x6i s HIS 328 Cb 0.00 -1.17 1.22 0.00 1.11 0.00 0.00 32.58 33.74 2x6i s HIS 328 CO 0.00 0.16 1.21 0.36 -0.85 0.00 0.00 174.74 175.62 2x6i n LYS 329 N -0.61 -0.02 0.22 1.40 0.00 -1.26 0.26 118.16 118.15 2x6i n LYS 329 Ca -0.04 0.93 0.06 0.00 -0.00 0.00 0.00 58.31 59.25 2x6i n LYS 329 Cb 0.65 -1.92 0.51 0.00 -0.00 0.00 0.00 35.03 34.26 2x6i n LYS 329 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2x6i h LYS 330 N 0.00 0.00 -0.03 -1.58 1.79 -1.92 -2.81 116.57 112.02 2x6i h LYS 330 Ca 0.70 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.93 2x6i h LYS 330 Cb 2.45 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 33.11 2x6i h LYS 330 CO -0.24 0.22 -0.94 0.00 -1.08 0.00 0.00 179.45 177.41 2x6i h ALA 331 N 1.78 0.29 -0.30 3.86 0.00 -0.44 -3.29 119.26 121.15 2x6i h ALA 331 Ca -0.00 -0.68 -0.07 0.00 0.00 0.00 0.00 54.91 54.15 2x6i h ALA 331 Cb 0.41 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2x6i h ALA 331 CO 0.03 0.75 -0.13 1.25 0.00 0.00 0.00 179.25 181.15 2x6i h LEU 332 N 0.34 0.50 -1.64 0.00 5.85 -1.56 -1.62 115.31 117.18 2x6i h LEU 332 Ca -0.09 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 2x6i h LEU 332 Cb 1.57 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.46 2x6i h LEU 332 CO 0.17 0.66 -0.10 0.00 -0.34 0.00 0.00 178.44 178.83 2x6i h THR 333 N 0.48 1.12 0.13 1.05 1.03 -1.67 -2.77 112.91 112.28 2x6i h THR 333 Ca 0.09 -0.52 -0.32 0.00 -0.01 0.00 0.00 66.41 65.65 2x6i h THR 333 Cb 0.50 1.18 -0.01 0.00 -1.07 0.00 0.00 68.15 68.76 2x6i h THR 333 CO 0.03 0.16 -1.62 0.11 -0.01 0.00 0.00 175.52 174.19 2x6i h LYS 334 N 0.10 0.27 -0.27 0.00 1.79 -1.48 -3.30 116.57 113.69 2x6i h LYS 334 Ca 0.02 -0.46 -0.14 0.00 -2.18 0.00 0.00 60.65 57.89 2x6i h LYS 334 Cb 0.25 0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.06 2x6i h LYS 334 CO 0.01 1.13 -0.39 0.35 -1.08 0.00 0.00 179.45 179.48 2x6i h PHE 335 N 0.07 0.75 0.00 -1.35 -0.00 -1.34 -3.01 116.94 112.06 2x6i h PHE 335 Ca -0.28 -0.21 -0.02 0.00 -0.00 0.00 0.00 57.97 57.46 2x6i h PHE 335 Cb 2.04 -0.16 -0.00 0.00 -0.00 0.00 0.00 35.95 37.82 2x6i h PHE 335 CO 0.07 0.92 -0.08 -0.07 -0.00 0.00 0.00 178.31 179.15 2x6i h LEU 336 N 0.52 0.00 -1.32 0.59 -0.00 -1.57 -3.00 115.31 110.54 2x6i h LEU 336 Ca 0.05 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.86 2x6i h LEU 336 Cb 0.90 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.55 2x6i h LEU 336 CO 0.08 0.08 -0.31 0.11 -0.00 0.00 0.00 178.44 178.40 2x6i h LYS 337 N 0.00 0.00 0.00 1.13 1.57 -1.65 -3.27 116.57 114.35 2x6i h LYS 337 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2x6i h LYS 337 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2x6i h LYS 337 CO 0.01 0.31 -1.65 0.00 -0.57 0.00 0.00 179.45 177.55 2x6i n ILE 339 N -2.18 1.51 -0.12 0.00 -0.00 -1.23 -4.82 119.36 112.51 2x6i n ILE 339 Ca -0.02 -0.01 -0.07 0.00 -0.00 0.00 0.00 62.75 62.66 2x6i n ILE 339 Cb 0.52 -2.21 -0.00 0.00 -0.00 0.00 0.00 39.64 37.94 2x6i n ILE 339 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.55 177.33 2x6i h ASN 340 N -1.00 -0.95 -0.64 4.38 2.35 -1.87 -3.08 115.58 114.77 2x6i h ASN 340 Ca -0.20 0.18 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 2x6i h ASN 340 Cb 1.17 0.47 -0.03 0.00 0.05 0.00 0.00 38.32 39.98 2x6i h ASN 340 CO -0.12 -0.29 0.18 4.11 -1.65 0.00 0.00 177.43 179.65 2x6i h TRP 341 N -0.21 1.07 0.03 1.19 0.09 -1.94 -3.37 115.95 112.81 2x6i h TRP 341 Ca 0.19 -0.11 -0.09 0.00 0.09 0.00 0.00 58.89 58.97 2x6i h TRP 341 Cb 0.51 -0.31 0.01 0.00 0.08 0.00 0.00 29.16 29.45 2x6i h TRP 341 CO -0.51 0.86 -0.38 0.87 0.09 0.00 0.00 178.44 179.37 2x6i h LYS 342 N 0.99 0.21 -6.42 0.12 1.79 -1.86 -3.44 116.57 107.96 2x6i h LYS 342 Ca 0.21 -0.27 -0.69 0.00 -2.18 0.00 0.00 60.65 57.73 2x6i h LYS 342 Cb 0.32 0.08 -0.22 0.00 -1.58 0.00 0.00 32.23 30.84 2x6i h LYS 342 CO -0.00 1.03 -0.77 -1.17 -1.08 0.00 0.00 179.45 177.45 2x6i s LEU 343 N -8.32 2.77 0.44 2.94 0.20 -1.26 -5.00 118.68 110.45 2x6i s LEU 343 Ca -0.15 -0.28 0.17 0.00 0.69 0.00 0.00 54.13 54.56 2x6i s LEU 343 Cb 0.01 -1.60 1.01 0.00 -0.43 0.00 0.00 46.19 45.18 2x6i s LEU 343 CO 0.77 0.30 1.96 -0.33 -0.29 0.00 0.00 176.35 178.75 2x6i h GLU 344 N 4.86 0.00 0.03 1.98 5.08 -1.86 -3.30 114.58 121.36 2x6i h GLU 344 Ca -0.47 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.57 2x6i h GLU 344 Cb 1.16 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.36 2x6i h GLU 344 CO 0.50 0.22 -1.89 -3.47 -1.00 0.00 0.00 179.01 173.38 2x6i n ASP 345 N -4.11 1.07 -0.23 1.42 -0.08 -1.26 -3.99 116.55 109.38 2x6i n ASP 345 Ca -0.02 0.30 0.16 0.00 -1.51 0.00 0.00 54.79 53.72 2x6i n ASP 345 Cb 0.29 -0.11 0.47 0.00 2.34 0.00 0.00 41.12 44.11 2x6i n ASP 345 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2x6i h GLU 346 N 0.02 0.47 -0.84 -0.67 4.39 -1.93 -0.27 114.58 115.75 2x6i h GLU 346 Ca -0.36 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.38 2x6i h GLU 346 Cb 2.04 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 30.53 2x6i h GLU 346 CO 0.07 0.31 0.55 0.28 -1.16 0.00 0.00 179.01 179.06 2x6i h VAL 347 N 0.49 1.05 0.00 3.13 2.07 -1.71 -1.84 116.25 119.44 2x6i h VAL 347 Ca 0.44 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 67.53 2x6i h VAL 347 Cb 0.97 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2x6i h VAL 347 CO -0.17 0.17 -0.54 0.71 0.02 0.00 0.00 177.57 177.75 2x6i h THR 348 N 0.93 1.35 0.04 2.57 1.35 -1.26 -2.03 112.91 115.86 2x6i h THR 348 Ca 0.36 -1.89 -0.30 0.00 -0.55 0.00 0.00 66.41 64.03 2x6i h THR 348 Cb 0.22 2.03 -0.04 0.00 -1.73 0.00 0.00 68.15 68.63 2x6i h THR 348 CO -0.13 0.53 -1.72 1.56 -0.25 0.00 0.00 175.52 175.51 2x6i h GLN 349 N 0.00 0.08 0.05 4.72 4.20 -1.42 -3.29 115.11 119.45 2x6i h GLN 349 Ca -0.01 -0.13 -0.24 0.00 0.06 0.00 0.00 58.65 58.33 2x6i h GLN 349 Cb 0.98 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.80 2x6i h GLN 349 CO 0.07 0.72 -1.13 0.00 -0.67 0.00 0.00 178.83 177.82 2x6i h ALA 350 N 0.76 0.28 -0.11 3.87 0.00 -1.29 -2.78 119.26 119.98 2x6i h ALA 350 Ca -0.30 -0.93 -0.12 0.00 0.00 0.00 0.00 54.91 53.56 2x6i h ALA 350 Cb 2.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 2x6i h ALA 350 CO 0.09 1.17 -0.45 -0.07 0.00 0.00 0.00 179.25 179.99 2x6i h LEU 351 N 0.03 0.29 -0.34 0.00 4.07 -1.49 -0.73 115.31 117.15 2x6i h LEU 351 Ca -0.07 -0.13 -0.19 0.00 0.08 0.00 0.00 57.88 57.56 2x6i h LEU 351 Cb 1.86 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 43.51 2x6i h LEU 351 CO 0.15 0.71 -0.81 -0.25 -1.08 0.00 0.00 178.44 177.16 2x6i h TRP 352 N 0.23 0.47 -0.41 1.13 7.01 -1.60 -2.78 115.95 120.00 2x6i h TRP 352 Ca 0.02 -0.23 -0.12 0.00 2.11 0.00 0.00 58.89 60.67 2x6i h TRP 352 Cb 0.88 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.87 2x6i h TRP 352 CO 0.02 1.01 -0.23 0.52 -2.79 0.00 0.00 178.44 176.97 2x6i h MET 353 N 0.21 0.82 -0.19 2.65 2.86 -0.99 -3.08 114.93 117.21 2x6i h MET 353 Ca -0.04 -0.34 -0.15 0.00 -2.06 0.00 0.00 59.70 57.10 2x6i h MET 353 Cb 1.41 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 33.03 2x6i h MET 353 CO 0.13 0.96 -0.53 1.25 1.06 0.00 0.00 176.91 179.79 2x6i h LEU 354 N 0.71 0.59 -0.97 1.22 6.46 -1.07 0.28 115.31 122.52 2x6i h LEU 354 Ca 0.10 -0.31 -0.10 0.00 -0.12 0.00 0.00 57.88 57.45 2x6i h LEU 354 Cb 0.75 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 2x6i h LEU 354 CO 0.06 1.01 -0.49 0.00 -0.62 0.00 0.00 178.44 178.40 2x6i h ALA 355 N 1.01 1.11 0.01 1.25 0.00 -1.43 -3.13 119.26 118.08 2x6i h ALA 355 Ca 0.01 -0.44 -0.35 0.00 0.00 0.00 0.00 54.91 54.13 2x6i h ALA 355 Cb 1.06 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 2x6i h ALA 355 CO 0.10 0.61 -2.13 0.09 0.00 0.00 0.00 179.25 177.92 2x6i n ASN 356 N -3.83 0.77 -4.44 0.00 4.13 -1.04 -4.97 115.26 105.87 2x6i n ASN 356 Ca -0.01 0.14 -0.39 0.00 1.68 0.00 0.00 54.58 56.00 2x6i n ASN 356 Cb 0.52 0.27 0.02 0.00 -1.54 0.00 0.00 39.78 39.06 2x6i n ASN 356 CO 0.00 0.00 0.00 1.87 0.28 0.00 0.00 177.26 179.41 2x6i n TRP 357 N -2.99 -0.82 -1.65 3.10 -0.00 0.95 -4.89 117.44 111.14 2x6i n TRP 357 Ca -0.29 0.49 -0.46 0.00 -0.00 0.00 0.00 57.50 57.24 2x6i n TRP 357 Cb 1.09 -1.94 -0.04 0.00 -0.00 0.00 0.00 31.31 30.42 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 -1.38 0.81 -1.85 5.87 0.00 -1.26 -4.86 120.51 117.83 2x6i n ALA 358 Ca 0.11 0.44 -0.41 0.00 0.00 0.00 0.00 53.44 53.59 2x6i n ALA 358 Cb 0.45 -2.26 -0.04 0.00 0.00 0.00 0.00 19.45 17.59 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 0.26 4.62 0.49 0.00 0.05 -1.26 -4.17 135.00 134.99 2x6i s PRO 359 Ca 0.75 1.79 -0.23 0.00 0.05 0.00 0.00 61.00 63.36 2x6i s PRO 359 Cb -0.72 -3.21 -0.06 0.00 0.05 0.00 0.00 34.50 30.56 2x6i s PRO 359 CO 0.44 0.16 1.24 1.41 0.05 0.00 0.00 177.00 180.31 2x6i s MET 360 N -1.10 3.54 0.27 4.56 1.75 -1.26 -4.38 119.30 122.68 2x6i s MET 360 Ca 0.46 1.96 -0.29 0.00 -1.25 0.00 0.00 55.69 56.57 2x6i s MET 360 Cb -0.31 -2.37 -0.09 0.00 2.84 0.00 0.00 34.83 34.90 2x6i s MET 360 CO 0.39 -0.78 1.02 -0.51 -0.65 0.00 0.00 175.02 174.49 2x6i s ASP 361 N -1.19 7.41 0.35 1.11 -0.00 -1.26 -4.89 116.67 118.20 2x6i s ASP 361 Ca 0.66 2.09 0.17 0.00 -0.00 0.00 0.00 52.55 55.47 2x6i s ASP 361 Cb -0.33 -2.61 1.17 0.00 -0.00 0.00 0.00 42.92 41.15 2x6i s ASP 361 CO 0.40 -0.03 1.64 0.58 -0.00 0.00 0.00 175.17 177.76 2x6i h VAL 362 N 3.04 0.21 -0.03 -1.27 2.07 -1.95 0.14 116.25 118.46 2x6i h VAL 362 Ca -0.46 -0.08 -0.19 0.00 0.82 0.00 0.00 66.70 66.80 2x6i h VAL 362 Cb 1.21 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2x6i h VAL 362 CO 0.67 0.04 -0.80 1.05 0.02 0.00 0.00 177.57 178.55 2x6i h GLU 363 N 0.22 0.27 0.00 1.57 9.09 -1.98 -2.31 114.58 121.44 2x6i h GLU 363 Ca 0.77 -0.25 -0.18 0.00 0.05 0.00 0.00 59.36 59.75 2x6i h GLU 363 Cb 1.86 0.06 -0.02 0.00 -1.65 0.00 0.00 28.75 29.00 2x6i h GLU 363 CO -0.66 0.93 -0.85 -0.44 0.05 0.00 0.00 179.01 178.05 2x6i h ASP 364 N 0.17 0.10 0.37 3.06 5.19 -1.24 -3.04 116.42 121.02 2x6i h ASP 364 Ca -0.04 -0.08 -0.05 0.00 -0.62 0.00 0.00 57.03 56.24 2x6i h ASP 364 Cb 1.39 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.86 2x6i h ASP 364 CO 0.13 0.90 -0.22 0.00 -3.12 0.00 0.00 179.24 176.93 2x6i h ALA 365 N 1.09 1.39 -0.55 3.45 0.00 -0.29 -2.87 119.26 121.48 2x6i h ALA 365 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2x6i h ALA 365 Cb 1.48 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.20 2x6i h ALA 365 CO 0.12 0.27 0.36 -0.07 0.00 0.00 0.00 179.25 179.93 2x6i h LEU 366 N 0.00 0.63 -1.58 0.00 4.07 -1.36 -1.96 115.31 115.11 2x6i h LEU 366 Ca -0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.92 2x6i h LEU 366 Cb 0.46 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.03 2x6i h LEU 366 CO 0.03 0.46 0.04 -0.08 -1.08 0.00 0.00 178.44 177.80 2x6i h GLU 367 N 0.74 0.31 0.00 1.13 4.81 -1.69 -0.78 114.58 119.10 2x6i h GLU 367 Ca 0.20 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 2x6i h GLU 367 Cb -0.08 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2x6i h GLU 367 CO -0.04 0.31 -0.19 -0.07 -0.73 0.00 0.00 179.01 178.29 2x6i h LEU 368 N 0.31 0.00 -0.05 1.64 3.38 -1.53 0.14 115.31 119.21 2x6i h LEU 368 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2x6i h LEU 368 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2x6i h LEU 368 CO -0.00 0.19 -0.25 0.18 0.09 0.00 0.00 178.44 178.65 2x6i n LEU 369 N -3.66 0.33 -4.33 1.67 4.77 -0.30 -4.59 117.00 110.88 2x6i n LEU 369 Ca -0.01 0.18 -0.33 0.00 -0.03 0.00 0.00 56.01 55.81 2x6i n LEU 369 Cb 0.31 -0.33 0.11 0.00 -2.33 0.00 0.00 43.42 41.18 2x6i n LEU 369 CO 0.32 0.07 -0.36 -0.24 -1.33 0.00 0.00 177.39 175.86 2x6i n SER 370 N -1.39 -2.72 0.00 -1.43 2.88 0.50 -4.73 113.62 106.74 2x6i n SER 370 Ca 0.08 0.25 0.12 0.00 -1.33 0.00 0.00 58.87 57.99 2x6i n SER 370 Cb 0.33 -1.10 0.53 0.00 -0.75 0.00 0.00 64.21 63.22 2x6i n SER 370 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2x6i n PRO 371 N -1.05 0.00 0.10 -1.46 -0.05 -1.26 -3.54 135.00 127.74 2x6i n PRO 371 Ca 0.05 0.07 -0.06 0.00 -0.05 0.00 0.00 63.50 63.51 2x6i n PRO 371 Cb 0.55 -1.50 0.06 0.00 -0.05 0.00 0.00 33.50 32.56 2x6i n PRO 371 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 175.50 177.24 2x6i h THR 372 N 0.00 1.48 -3.42 0.52 1.35 -1.91 -3.41 112.91 107.52 2x6i h THR 372 Ca 0.00 -2.41 -0.70 0.00 -0.55 0.00 0.00 66.41 62.75 2x6i h THR 372 Cb 0.43 2.30 -0.20 0.00 -1.73 0.00 0.00 68.15 68.95 2x6i h THR 372 CO 0.00 0.70 -0.20 -0.36 -0.25 0.00 0.00 175.52 175.41 2x6i s PHE 373 N -3.40 3.17 0.00 4.73 2.99 -1.23 -4.92 117.98 119.31 2x6i s PHE 373 Ca -0.02 -0.56 -0.02 0.00 0.00 0.00 0.00 56.93 56.33 2x6i s PHE 373 Cb 0.11 -3.07 -0.27 0.00 0.00 0.00 0.00 43.02 39.79 2x6i s PHE 373 CO 0.80 -0.78 0.85 1.15 -0.00 0.00 0.00 175.22 177.24 2x6i h THR 374 N 5.75 1.14 -2.14 0.64 2.02 -1.87 -3.46 112.91 115.00 2x6i h THR 374 Ca -0.27 -2.80 -0.58 0.00 0.77 0.00 0.00 66.41 63.53 2x6i h THR 374 Cb 1.11 2.74 -0.01 0.00 -1.74 0.00 0.00 68.15 70.25 2x6i h THR 374 CO 0.84 0.81 1.45 -2.28 0.37 0.00 0.00 175.52 176.71 2x6i s HIS 375 N -2.62 1.31 0.52 3.16 5.04 -1.26 -4.84 115.29 116.61 2x6i s HIS 375 Ca -0.09 0.61 0.41 0.00 -1.54 0.00 0.00 55.06 54.45 2x6i s HIS 375 Cb 0.07 -3.96 1.42 0.00 0.04 0.00 0.00 32.58 30.15 2x6i s HIS 375 CO 0.85 -3.73 1.37 -2.30 -2.34 0.00 0.00 174.74 168.58 2x6i n PRO 376 N 8.70 0.00 0.07 2.88 -0.02 -1.26 -0.64 135.00 144.74 2x6i n PRO 376 Ca 0.28 0.98 -0.13 0.00 -2.02 0.00 0.00 63.50 62.61 2x6i n PRO 376 Cb 0.46 -2.29 -0.13 0.00 -0.02 0.00 0.00 33.50 31.51 2x6i n PRO 376 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2x6i h GLN 377 N 0.00 0.17 0.15 -0.52 5.75 -2.01 -3.16 115.11 115.49 2x6i h GLN 377 Ca 0.77 -0.28 -0.29 0.00 -0.15 0.00 0.00 58.65 58.70 2x6i h GLN 377 Cb 3.29 0.11 0.01 0.00 1.07 0.00 0.00 27.48 31.96 2x6i h GLN 377 CO -0.01 1.09 -1.29 -0.39 -2.65 0.00 0.00 178.83 175.58 2x6i h VAL 378 N 0.05 1.46 -0.83 2.39 -1.51 -1.26 -3.18 116.25 113.37 2x6i h VAL 378 Ca -0.13 -3.00 -0.03 0.00 -1.23 0.00 0.00 66.70 62.32 2x6i h VAL 378 Cb 1.92 2.96 -0.04 0.00 -2.13 0.00 0.00 31.29 34.00 2x6i h VAL 378 CO 0.17 0.88 0.42 0.03 -1.23 0.00 0.00 177.57 177.83 2x6i h ARG 379 N 0.09 1.18 -0.59 5.19 3.08 -1.63 0.53 114.38 122.23 2x6i h ARG 379 Ca -0.16 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 59.75 2x6i h ARG 379 Cb 2.01 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 31.81 2x6i h ARG 379 CO 0.22 0.90 0.39 -0.22 -1.07 0.00 0.00 179.97 180.19 2x6i h LYS 380 N 1.17 0.71 -0.25 0.04 3.64 -1.59 -2.10 116.57 118.19 2x6i h LYS 380 Ca 0.29 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.47 2x6i h LYS 380 Cb 0.09 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2x6i h LYS 380 CO -0.04 0.47 -0.46 -0.92 -2.27 0.00 0.00 179.45 176.23 2x6i h TYR 381 N 0.73 0.79 -0.36 1.91 3.20 -0.90 -2.21 116.97 120.13 2x6i h TYR 381 Ca 0.23 -0.25 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 2x6i h TYR 381 Cb 0.02 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 2x6i h TYR 381 CO -0.00 0.99 -0.15 0.00 -1.64 0.00 0.00 178.16 177.35 2x6i h ALA 382 N 0.97 1.06 -0.13 1.82 0.00 -0.70 -1.94 119.26 120.33 2x6i h ALA 382 Ca 0.03 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 2x6i h ALA 382 Cb 1.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2x6i h ALA 382 CO 0.09 0.57 -0.41 0.28 0.00 0.00 0.00 179.25 179.78 2x6i h VAL 383 N 0.59 1.31 -0.10 0.00 2.07 -0.97 -1.40 116.25 117.75 2x6i h VAL 383 Ca 0.10 -1.54 -0.10 0.00 0.82 0.00 0.00 66.70 65.97 2x6i h VAL 383 Cb 0.60 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 2x6i h VAL 383 CO 0.04 0.47 -0.40 0.77 0.02 0.00 0.00 177.57 178.47 2x6i h SER 384 N 0.25 0.23 -0.32 0.57 4.64 -0.84 -1.79 113.55 116.29 2x6i h SER 384 Ca 0.02 -0.10 -0.16 0.00 -0.47 0.00 0.00 61.79 61.09 2x6i h SER 384 Cb 0.84 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.86 2x6i h SER 384 CO 0.07 0.61 -0.42 0.03 -0.87 0.00 0.00 176.83 176.25 2x6i h ARG 385 N 0.19 0.85 -0.67 4.77 2.47 -0.85 -3.08 114.38 118.06 2x6i h ARG 385 Ca 0.02 -0.49 -0.06 0.00 -1.26 0.00 0.00 59.98 58.19 2x6i h ARG 385 Cb 0.79 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 29.12 2x6i h ARG 385 CO 0.06 1.13 0.19 -0.07 0.56 0.00 0.00 179.97 181.83 2x6i h LEU 386 N 0.64 0.99 -1.71 3.04 3.38 -0.99 -2.41 115.31 118.24 2x6i h LEU 386 Ca 0.04 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 2x6i h LEU 386 Cb 1.02 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2x6i h LEU 386 CO 0.10 0.95 -0.10 0.00 0.09 0.00 0.00 178.44 179.49 2x6i h ALA 387 N 1.08 1.77 -0.01 1.53 0.00 -1.25 -0.73 119.26 121.64 2x6i h ALA 387 Ca 0.21 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 2x6i h ALA 387 Cb 0.33 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2x6i h ALA 387 CO -0.00 0.18 -0.80 0.37 0.00 0.00 0.00 179.25 179.00 2x6i h GLN 388 N 0.06 0.18 -6.98 0.00 4.15 -1.39 -3.45 115.11 107.68 2x6i h GLN 388 Ca 0.01 -0.17 -0.54 0.00 0.77 0.00 0.00 58.65 58.72 2x6i h GLN 388 Cb 0.21 0.04 0.11 0.00 0.21 0.00 0.00 27.48 28.05 2x6i h GLN 388 CO 0.01 0.88 0.67 0.00 -1.93 0.00 0.00 178.83 178.46 2x6i s ALA 389 N -3.35 3.23 0.66 3.38 0.00 -0.28 -5.00 121.76 120.40 2x6i s ALA 389 Ca -0.03 1.38 -0.15 0.00 0.00 0.00 0.00 51.96 53.15 2x6i s ALA 389 Cb 0.11 -3.55 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 2x6i s ALA 389 CO 0.81 -1.06 1.12 -1.25 0.00 0.00 0.00 175.76 175.39 2x6i s PRO 390 N -2.39 2.77 0.27 0.00 0.04 -1.26 -4.85 135.00 129.59 2x6i s PRO 390 Ca 0.60 1.46 0.01 0.00 0.04 0.00 0.00 61.00 63.10 2x6i s PRO 390 Cb -0.41 -1.94 0.57 0.00 0.04 0.00 0.00 34.50 32.75 2x6i s PRO 390 CO 0.53 -1.28 1.78 -0.44 0.04 0.00 0.00 177.00 177.63 2x6i h ASP 391 N 0.10 0.65 -0.97 6.66 3.45 -1.96 -2.08 116.42 122.28 2x6i h ASP 391 Ca -0.47 0.08 0.12 0.00 0.43 0.00 0.00 57.03 57.20 2x6i h ASP 391 Cb 1.25 -0.03 -0.08 0.00 -0.56 0.00 0.00 39.33 39.92 2x6i h ASP 391 CO 0.54 0.28 0.61 -0.33 -1.57 0.00 0.00 179.24 178.77 2x6i h GLU 392 N 0.72 0.89 -0.05 3.56 4.39 -2.01 -0.18 114.58 121.90 2x6i h GLU 392 Ca 0.49 -0.05 -0.21 0.00 0.34 0.00 0.00 59.36 59.93 2x6i h GLU 392 Cb 0.66 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2x6i h GLU 392 CO -0.35 0.59 -0.82 -0.44 -1.16 0.00 0.00 179.01 176.83 2x6i h ASP 393 N 0.92 0.54 -0.23 1.42 5.19 -1.76 -2.99 116.42 119.52 2x6i h ASP 393 Ca 0.48 -0.39 -0.06 0.00 -0.62 0.00 0.00 57.03 56.44 2x6i h ASP 393 Cb 0.53 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 2x6i h ASP 393 CO -0.24 1.16 -0.03 -0.07 -3.12 0.00 0.00 179.24 176.94 2x6i h LEU 394 N 0.28 0.52 -0.44 1.55 4.07 -0.76 -2.71 115.31 117.81 2x6i h LEU 394 Ca -0.05 -0.11 -0.16 0.00 0.08 0.00 0.00 57.88 57.64 2x6i h LEU 394 Cb 1.43 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 43.03 2x6i h LEU 394 CO 0.14 0.61 -0.41 0.25 -1.08 0.00 0.00 178.44 177.95 2x6i h LEU 395 N 0.52 0.91 -0.54 1.67 6.46 -1.14 -1.43 115.31 121.76 2x6i h LEU 395 Ca 0.11 -0.43 0.02 0.00 -0.12 0.00 0.00 57.88 57.46 2x6i h LEU 395 Cb 0.38 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 2x6i h LEU 395 CO 0.02 1.20 0.33 -0.07 -0.62 0.00 0.00 178.44 179.30 2x6i h LEU 396 N 0.69 0.55 0.00 2.25 3.38 -1.44 -1.92 115.31 118.82 2x6i h LEU 396 Ca 0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2x6i h LEU 396 Cb 0.99 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2x6i h LEU 396 CO 0.10 0.39 -0.25 1.88 0.09 0.00 0.00 178.44 180.65 2x6i h TYR 397 N 0.67 0.00 -0.98 1.13 0.05 -1.48 -3.37 116.97 112.99 2x6i h TYR 397 Ca 0.21 0.00 0.33 0.00 0.05 0.00 0.00 58.73 59.33 2x6i h TYR 397 Cb -0.00 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 37.57 2x6i h TYR 397 CO -0.06 0.00 0.41 1.25 -1.05 0.00 0.00 178.16 178.71 2x6i h LEU 398 N 0.00 0.18 -0.80 3.88 7.12 -0.42 0.82 115.31 126.10 2x6i h LEU 398 Ca 0.00 0.23 0.06 0.00 0.13 0.00 0.00 57.88 58.30 2x6i h LEU 398 Cb 0.91 0.27 -0.06 0.00 -0.53 0.00 0.00 40.66 41.25 2x6i h LEU 398 CO 0.00 -0.28 0.48 0.25 -0.13 0.00 0.00 178.44 178.76 2x6i h LEU 399 N 0.14 0.75 -0.68 2.25 5.85 -1.77 -0.02 115.31 121.82 2x6i h LEU 399 Ca 0.72 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 59.32 2x6i h LEU 399 Cb 1.70 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 42.58 2x6i h LEU 399 CO -0.73 0.48 -0.46 1.56 -0.34 0.00 0.00 178.44 178.96 2x6i h GLN 400 N 0.89 0.48 0.00 1.25 7.50 0.34 -2.62 115.11 122.95 2x6i h GLN 400 Ca 0.35 -0.26 -0.15 0.00 0.50 0.00 0.00 58.65 59.09 2x6i h GLN 400 Cb 0.17 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.69 2x6i h GLN 400 CO -0.17 0.84 -0.71 -0.07 -1.50 0.00 0.00 178.83 177.21 2x6i h LEU 401 N 0.38 0.00 -0.27 1.46 3.38 -0.32 0.83 115.31 120.77 2x6i h LEU 401 Ca 0.03 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.79 2x6i h LEU 401 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2x6i h LEU 401 CO 0.08 0.71 -0.81 0.58 0.09 0.00 0.00 178.44 179.09 2x6i h VAL 402 N 0.00 1.36 -0.34 1.22 2.07 -0.76 -2.10 116.25 117.70 2x6i h VAL 402 Ca -0.01 -2.19 -0.08 0.00 0.82 0.00 0.00 66.70 65.24 2x6i h VAL 402 Cb 1.28 2.18 -0.02 0.00 -1.52 0.00 0.00 31.29 33.21 2x6i h VAL 402 CO 0.09 0.67 -0.13 1.56 0.02 0.00 0.00 177.57 179.78 2x6i h GLN 403 N 0.33 0.59 0.00 1.57 1.08 -1.12 -2.84 115.11 114.71 2x6i h GLN 403 Ca -0.05 -0.18 -0.04 0.00 -1.45 0.00 0.00 58.65 56.93 2x6i h GLN 403 Cb 1.42 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.79 2x6i h GLN 403 CO 0.15 0.70 -0.18 0.00 -0.95 0.00 0.00 178.83 178.55 2x6i h ALA 404 N 1.33 1.45 -1.05 3.87 0.00 -0.15 -3.08 119.26 121.63 2x6i h ALA 404 Ca 0.10 -0.16 0.29 0.00 0.00 0.00 0.00 54.91 55.14 2x6i h ALA 404 Cb 0.54 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 2x6i h ALA 404 CO 0.03 0.22 0.74 -0.07 0.00 0.00 0.00 179.25 180.17 2x6i h LEU 405 N 0.00 0.10 -0.48 0.00 3.38 -1.24 -0.84 115.31 116.23 2x6i h LEU 405 Ca -0.00 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2x6i h LEU 405 Cb 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2x6i h LEU 405 CO 0.02 0.02 0.01 0.11 0.09 0.00 0.00 178.44 178.70 2x6i h LYS 406 N 0.09 0.83 -0.22 1.13 1.57 -1.77 -3.22 116.57 114.99 2x6i h LYS 406 Ca 0.52 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 59.00 2x6i h LYS 406 Cb 1.88 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 34.11 2x6i h LYS 406 CO -0.07 0.87 -0.01 1.88 -0.57 0.00 0.00 179.45 181.55 2x6i h TYR 407 N 0.69 0.43 -2.72 -1.35 0.05 -1.38 -3.43 116.97 109.27 2x6i h TYR 407 Ca 0.14 -0.08 -0.59 0.00 0.05 0.00 0.00 58.73 58.24 2x6i h TYR 407 Cb 0.49 -0.11 0.12 0.00 1.01 0.00 0.00 36.73 38.23 2x6i h TYR 407 CO 0.04 0.60 0.16 -1.91 -1.05 0.00 0.00 178.16 176.00 2x6i n GLU 408 N -4.65 1.42 -2.13 4.88 2.13 -1.20 -4.90 120.64 116.20 2x6i n GLU 408 Ca -0.04 0.50 -0.41 0.00 0.66 0.00 0.00 57.16 57.87 2x6i n GLU 408 Cb 0.25 -1.94 -0.02 0.00 0.27 0.00 0.00 31.44 30.00 2x6i n GLU 408 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2x6i s ASP 409 N -0.59 6.79 0.36 4.31 -1.08 -1.26 -4.95 116.67 120.26 2x6i s ASP 409 Ca 0.59 2.66 0.09 0.00 -0.52 0.00 0.00 52.55 55.37 2x6i s ASP 409 Cb -0.64 -2.64 0.83 0.00 -1.46 0.00 0.00 42.92 39.00 2x6i s ASP 409 CO 0.59 -0.53 1.88 -0.65 0.52 0.00 0.00 175.17 176.99 2x6i h PRO 410 N 3.62 0.66 0.00 4.34 0.11 -1.90 -3.02 132.00 135.81 2x6i h PRO 410 Ca -0.48 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 2x6i h PRO 410 Cb 1.22 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2x6i h PRO 410 CO 0.67 0.44 -0.20 -0.09 -0.21 0.00 0.00 178.00 178.61 2x6i h ARG 411 N 0.68 0.00 -0.14 1.05 9.65 -1.99 0.27 114.38 123.90 2x6i h ARG 411 Ca 0.43 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.31 2x6i h ARG 411 Cb 0.69 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.26 2x6i h ARG 411 CO -0.19 0.20 0.09 0.45 2.80 0.00 0.00 179.97 183.32 2x6i h HIS 412 N 0.00 0.16 0.08 2.20 3.86 -1.93 -1.72 115.15 117.80 2x6i h HIS 412 Ca -0.00 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.90 2x6i h HIS 412 Cb 0.35 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.74 2x6i h HIS 412 CO 0.00 0.10 -1.71 0.82 0.86 0.00 0.00 177.93 178.00 2x6i h ILE 413 N 0.17 0.92 0.07 2.45 2.04 -1.10 -3.32 117.51 118.73 2x6i h ILE 413 Ca 0.05 -2.65 -0.24 0.00 1.00 0.00 0.00 64.86 63.02 2x6i h ILE 413 Cb 0.00 2.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 2x6i h ILE 413 CO -0.01 0.75 -1.10 -0.37 0.00 0.00 0.00 178.15 177.42 2x6i h VAL 414 N 0.05 1.55 -0.33 1.67 -1.51 -1.38 -2.58 116.25 113.71 2x6i h VAL 414 Ca -0.30 -3.03 -0.07 0.00 -1.23 0.00 0.00 66.70 62.07 2x6i h VAL 414 Cb 2.02 2.80 -0.02 0.00 -2.13 0.00 0.00 31.29 33.96 2x6i h VAL 414 CO 0.11 0.88 -0.10 -0.74 -1.23 0.00 0.00 177.57 176.49 2x6i h HIS 415 N 0.07 0.60 0.12 5.19 6.17 -1.45 -1.51 115.15 124.33 2x6i h HIS 415 Ca -0.08 -0.09 -0.30 0.00 0.71 0.00 0.00 60.37 60.61 2x6i h HIS 415 Cb 1.81 -0.16 0.03 0.00 2.52 0.00 0.00 27.41 31.61 2x6i h HIS 415 CO 0.04 0.64 -1.24 1.25 0.71 0.00 0.00 177.93 179.34 2x6i h LEU 416 N 0.51 0.83 -1.28 0.26 6.46 -1.65 -2.48 115.31 117.96 2x6i h LEU 416 Ca 0.10 -0.77 -0.01 0.00 -0.12 0.00 0.00 57.88 57.07 2x6i h LEU 416 Cb 0.49 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.13 2x6i h LEU 416 CO 0.03 1.58 0.33 -0.74 -0.62 0.00 0.00 178.44 179.01 2x6i h HIS 417 N 0.26 0.80 -0.19 1.25 2.76 -1.02 -0.90 115.15 118.10 2x6i h HIS 417 Ca -0.18 -0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 57.83 2x6i h HIS 417 Cb 1.91 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 30.61 2x6i h HIS 417 CO 0.11 0.56 -0.51 0.78 -1.30 0.00 0.00 177.93 177.57 2x6i h GLY 418 N 0.89 0.56 1.76 5.26 0.00 -1.12 -1.15 103.07 109.27 2x6i h GLY 418 Ca 0.21 -0.63 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 2x6i h GLY 418 CO -0.03 0.56 -0.32 0.00 0.00 0.00 0.00 176.54 176.75 2x6i n ILE 420 N -4.10 1.57 -0.01 0.00 5.41 -0.95 -4.89 119.36 116.39 2x6i n ILE 420 Ca -0.01 -0.30 -0.00 0.00 1.00 0.00 0.00 62.75 63.44 2x6i n ILE 420 Cb 0.42 -1.88 -0.00 0.00 -0.71 0.00 0.00 39.64 37.47 2x6i n ILE 420 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 2x6i h PHE 421 N -0.72 0.00 0.00 1.39 -1.00 -1.31 -3.52 116.94 111.78 2x6i h PHE 421 Ca -0.50 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.24 2x6i h PHE 421 Cb 1.58 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.14 2x6i h PHE 421 CO 0.03 0.00 -0.31 -1.35 -1.61 0.00 0.00 178.31 175.07 2x6i h PRO 422 N -0.26 0.00 -4.38 1.51 0.11 -1.78 -3.51 132.00 123.68 2x6i h PRO 422 Ca 0.00 0.00 -0.73 0.00 0.11 0.00 0.00 66.00 65.38 2x6i h PRO 422 Cb 0.02 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 30.90 2x6i h PRO 422 CO 0.00 0.17 -0.38 0.00 -0.21 0.00 0.00 178.00 177.59 2x6i s ALA 531 N -3.13 3.49 0.24 -0.75 0.00 -1.26 -4.91 121.76 115.44 2x6i s ALA 531 Ca 0.05 -2.02 -0.30 0.00 0.00 0.00 0.00 51.96 49.69 2x6i s ALA 531 Cb 0.06 -2.95 -0.09 0.00 0.00 0.00 0.00 23.12 20.14 2x6i s ALA 531 CO 0.71 -1.65 1.03 1.21 0.00 0.00 0.00 175.76 177.06 2x6i s ASN 532 N 2.30 7.44 0.33 0.00 3.84 -1.26 -4.81 114.94 122.78 2x6i s ASN 532 Ca 0.04 2.08 0.11 0.00 0.21 0.00 0.00 52.86 55.30 2x6i s ASN 532 Cb -0.23 -2.61 1.01 0.00 -0.55 0.00 0.00 41.25 38.87 2x6i s ASN 532 CO 0.07 -0.03 1.62 0.25 -2.79 0.00 0.00 177.10 176.22 2x6i h LEU 533 N 4.28 0.18 -0.26 3.21 6.46 -1.95 -1.94 115.31 125.28 2x6i h LEU 533 Ca -0.45 0.23 -0.15 0.00 -0.12 0.00 0.00 57.88 57.38 2x6i h LEU 533 Cb 1.21 0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 41.38 2x6i h LEU 533 CO 0.69 -0.26 -0.72 0.00 -0.62 0.00 0.00 178.44 177.53 2x6i h THR 535 N 0.00 1.28 -0.43 0.00 1.35 -1.73 -3.08 112.91 110.31 2x6i h THR 535 Ca -0.01 -1.43 -0.12 0.00 -0.55 0.00 0.00 66.41 64.30 2x6i h THR 535 Cb 1.43 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 69.26 2x6i h THR 535 CO 0.09 0.46 -0.22 0.15 -0.25 0.00 0.00 175.52 175.75 2x6i h PHE 536 N 0.50 1.04 -0.31 4.73 3.04 -1.03 -0.70 116.94 124.22 2x6i h PHE 536 Ca 0.06 -0.26 -0.10 0.00 3.98 0.00 0.00 57.97 61.64 2x6i h PHE 536 Cb 0.79 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 39.05 2x6i h PHE 536 CO 0.03 1.06 -0.24 -0.07 -2.02 0.00 0.00 178.31 177.07 2x6i h LEU 537 N 0.73 0.60 -0.18 0.59 3.38 -1.20 -1.89 115.31 117.34 2x6i h LEU 537 Ca 0.09 -0.21 -0.22 0.00 0.09 0.00 0.00 57.88 57.64 2x6i h LEU 537 Cb 0.79 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.38 2x6i h LEU 537 CO 0.06 0.83 -0.74 0.40 0.09 0.00 0.00 178.44 179.09 2x6i h ILE 538 N 0.52 1.27 -0.61 1.22 2.04 -1.35 -0.81 117.51 119.80 2x6i h ILE 538 Ca 0.07 -1.92 -0.05 0.00 1.00 0.00 0.00 64.86 63.96 2x6i h ILE 538 Cb 0.70 1.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.66 2x6i h ILE 538 CO 0.05 0.61 0.17 1.56 0.00 0.00 0.00 178.15 180.54 2x6i h GLN 539 N 0.57 0.94 0.07 2.37 4.20 -0.48 -1.56 115.11 121.23 2x6i h GLN 539 Ca -0.04 -0.20 -0.26 0.00 0.06 0.00 0.00 58.65 58.22 2x6i h GLN 539 Cb 1.36 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.99 2x6i h GLN 539 CO 0.15 0.83 -1.25 0.00 -0.67 0.00 0.00 178.83 177.90 2x6i h ARG 540 N 0.91 0.14 -0.19 1.46 3.08 -1.31 -3.07 114.38 115.40 2x6i h ARG 540 Ca 0.20 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2x6i h ARG 540 Cb 0.30 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2x6i h ARG 540 CO -0.00 1.05 0.12 0.00 -1.07 0.00 0.00 179.97 180.06 2x6i h ALA 541 N 0.76 1.85 0.00 0.04 0.00 -0.17 -1.44 119.26 120.30 2x6i h ALA 541 Ca -0.12 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2x6i h ALA 541 Cb 1.91 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 2x6i h ALA 541 CO 0.16 0.13 -0.41 0.00 0.00 0.00 0.00 179.25 179.13 2x6i h THR 543 N 0.00 1.57 -3.21 0.00 2.02 -1.26 -3.44 112.91 108.59 2x6i h THR 543 Ca -0.01 -3.16 -0.57 0.00 0.77 0.00 0.00 66.41 63.43 2x6i h THR 543 Cb 1.17 2.89 -0.35 0.00 -1.74 0.00 0.00 68.15 70.12 2x6i h THR 543 CO 0.02 0.92 -0.83 0.21 0.37 0.00 0.00 175.52 176.21 2x6i s ASN 544 N -7.00 2.42 0.31 4.18 3.84 -1.19 -5.05 114.94 112.45 2x6i s ASN 544 Ca -0.02 -0.41 0.02 0.00 0.21 0.00 0.00 52.86 52.65 2x6i s ASN 544 Cb 0.08 -1.05 0.50 0.00 -0.55 0.00 0.00 41.25 40.23 2x6i s ASN 544 CO 0.86 -0.03 1.85 0.00 -2.79 0.00 0.00 177.10 176.98 2x6i h ALA 545 N 7.75 1.29 -0.23 1.71 0.00 -1.85 -2.48 119.26 125.44 2x6i h ALA 545 Ca -0.33 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.22 2x6i h ALA 545 Cb 1.15 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2x6i h ALA 545 CO 0.49 0.49 -0.49 1.79 0.00 0.00 0.00 179.25 181.52 2x6i h THR 546 N 0.64 1.30 -0.33 0.00 1.35 -1.94 -2.77 112.91 111.16 2x6i h THR 546 Ca 0.14 -1.70 -0.10 0.00 -0.55 0.00 0.00 66.41 64.20 2x6i h THR 546 Cb 0.32 1.66 -0.02 0.00 -1.73 0.00 0.00 68.15 68.38 2x6i h THR 546 CO 0.01 0.54 -0.20 -0.07 -0.25 0.00 0.00 175.52 175.54 2x6i h LEU 547 N 0.50 0.62 -0.79 3.87 3.38 -1.78 -1.20 115.31 119.91 2x6i h LEU 547 Ca 0.02 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 2x6i h LEU 547 Cb 1.04 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 2x6i h LEU 547 CO 0.10 0.82 0.15 0.00 0.09 0.00 0.00 178.44 179.60 2x6i h ALA 548 N 1.23 1.01 -0.58 1.53 0.00 -1.30 -0.43 119.26 120.71 2x6i h ALA 548 Ca 0.08 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 2x6i h ALA 548 Cb 0.65 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2x6i h ALA 548 CO 0.05 0.64 -0.05 -0.97 0.00 0.00 0.00 179.25 178.92 2x6i h ASN 549 N 1.00 1.05 0.31 0.00 -0.00 -0.96 -0.54 115.58 116.44 2x6i h ASN 549 Ca 0.21 -0.32 -0.29 0.00 -0.00 0.00 0.00 56.30 55.90 2x6i h ASN 549 Cb 0.37 -0.28 0.02 0.00 -0.00 0.00 0.00 38.32 38.43 2x6i h ASN 549 CO 0.00 1.12 -1.22 1.88 -0.00 0.00 0.00 177.43 179.22 2x6i h TYR 550 N 0.96 0.81 -0.79 0.67 0.05 -1.03 -2.53 116.97 115.11 2x6i h TYR 550 Ca 0.16 -0.53 -0.03 0.00 0.05 0.00 0.00 58.73 58.39 2x6i h TYR 550 Cb 0.62 -0.06 -0.04 0.00 1.01 0.00 0.00 36.73 38.26 2x6i h TYR 550 CO 0.04 1.38 0.39 0.35 -1.05 0.00 0.00 178.16 179.27 2x6i h PHE 551 N 0.20 1.13 -0.19 4.88 3.57 -0.76 -1.55 116.94 124.23 2x6i h PHE 551 Ca -0.16 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.26 2x6i h PHE 551 Cb 1.90 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 40.28 2x6i h PHE 551 CO 0.09 0.82 0.02 -0.92 -2.23 0.00 0.00 178.31 176.09 2x6i h TYR 552 N 1.11 0.34 -0.14 0.41 3.20 -0.91 -2.59 116.97 118.39 2x6i h TYR 552 Ca 0.27 -0.05 -0.08 0.00 3.14 0.00 0.00 58.73 62.01 2x6i h TYR 552 Cb 0.11 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 2x6i h TYR 552 CO 0.01 0.49 -0.28 -1.49 -1.64 0.00 0.00 178.16 175.25 2x6i h TRP 553 N 0.09 0.29 -0.31 -3.82 4.06 -0.97 -0.87 115.95 114.42 2x6i h TRP 553 Ca 0.06 -0.06 -0.16 0.00 2.06 0.00 0.00 58.89 60.78 2x6i h TRP 553 Cb 0.34 -0.07 -0.00 0.00 -1.00 0.00 0.00 29.16 28.42 2x6i h TRP 553 CO 0.03 0.53 -0.46 1.88 -3.56 0.00 0.00 178.44 176.85 2x6i h TYR 554 N 0.24 1.00 -0.01 0.49 0.05 -1.23 -3.02 116.97 114.49 2x6i h TYR 554 Ca 0.04 -0.32 -0.20 0.00 0.05 0.00 0.00 58.73 58.29 2x6i h TYR 554 Cb 0.62 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 2x6i h TYR 554 CO 0.01 1.12 -0.85 -0.07 -1.05 0.00 0.00 178.16 177.32 2x6i h LEU 555 N 0.65 0.33 -1.05 3.88 3.38 -1.05 -3.16 115.31 118.29 2x6i h LEU 555 Ca 0.04 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 2x6i h LEU 555 Cb 1.04 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2x6i h LEU 555 CO 0.10 1.04 -0.40 -1.28 0.09 0.00 0.00 178.44 177.99 2x6i h SER 556 N 0.15 0.15 0.55 -0.43 0.87 -1.13 -1.71 113.55 112.00 2x6i h SER 556 Ca -0.05 -0.06 -0.16 0.00 -1.23 0.00 0.00 61.79 60.29 2x6i h SER 556 Cb 1.47 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.37 2x6i h SER 556 CO 0.14 0.54 -0.73 0.40 -0.53 0.00 0.00 176.83 176.65 2x6i h ILE 557 N 0.12 1.46 -0.02 2.23 2.04 -1.50 -3.07 117.51 118.77 2x6i h ILE 557 Ca 0.01 -2.34 -0.15 0.00 1.00 0.00 0.00 64.86 63.37 2x6i h ILE 557 Cb 0.77 2.26 -0.02 0.00 -0.74 0.00 0.00 36.82 39.09 2x6i h ILE 557 CO 0.06 0.68 -0.69 -0.33 0.00 0.00 0.00 178.15 177.87 2x6i h GLU 558 N 0.09 0.09 0.08 2.37 4.39 -1.31 -3.35 114.58 116.95 2x6i h GLU 558 Ca -0.02 -0.08 -0.14 0.00 0.34 0.00 0.00 59.36 59.46 2x6i h GLU 558 Cb 1.29 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.96 2x6i h GLU 558 CO 0.11 0.74 -0.65 0.28 -1.16 0.00 0.00 179.01 178.33 2x6i h VAL 559 N 0.06 1.51 -2.45 3.13 2.07 -1.31 -3.45 116.25 115.82 2x6i h VAL 559 Ca -0.01 -2.44 -0.61 0.00 0.82 0.00 0.00 66.70 64.46 2x6i h VAL 559 Cb 1.22 3.15 0.11 0.00 -1.52 0.00 0.00 31.29 34.24 2x6i h VAL 559 CO 0.10 0.66 0.18 -1.84 0.02 0.00 0.00 177.57 176.68 2x6i n GLU 560 N -4.28 1.39 -1.56 1.57 0.28 -1.20 -4.93 120.64 111.91 2x6i n GLU 560 Ca -0.15 0.49 -0.39 0.00 -0.16 0.00 0.00 57.16 56.95 2x6i n GLU 560 Cb 0.71 -1.89 0.04 0.00 1.43 0.00 0.00 31.44 31.73 2x6i n GLU 560 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2x6i n GLU 561 N 0.89 0.85 0.00 3.44 -0.00 -1.26 -5.04 120.64 119.51 2x6i n GLU 561 Ca 0.10 0.32 0.00 0.00 -0.00 0.00 0.00 57.16 57.58 2x6i n GLU 561 Cb 0.31 -1.97 0.00 0.00 -0.00 0.00 0.00 31.44 29.78 2x6i n GLU 561 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2x6i n ARG 566 N -0.42 0.00 0.00 3.44 0.63 -1.26 -5.24 116.66 113.80 2x6i n ARG 566 Ca 0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 2x6i n ARG 566 Cb 0.45 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.36 2x6i n ARG 566 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2x6i n LYS 567 N 0.00 0.00 0.11 -0.14 5.02 -1.26 -4.93 118.16 116.97 2x6i n LYS 567 Ca 0.00 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 2x6i n LYS 567 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.02 2x6i n LYS 567 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 2x6i h GLN 568 N 0.00 0.00 -0.95 1.97 5.75 -2.06 -3.39 115.11 116.43 2x6i h GLN 568 Ca 0.00 0.00 0.22 0.00 -0.15 0.00 0.00 58.65 58.72 2x6i h GLN 568 Cb 0.00 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 28.48 2x6i h GLN 568 CO 0.00 0.13 0.62 -0.44 -2.65 0.00 0.00 178.83 176.49 2x6i h ASP 569 N 0.00 0.43 -0.27 -0.69 5.19 -1.99 0.22 116.42 119.32 2x6i h ASP 569 Ca -0.04 0.05 -0.08 0.00 -0.62 0.00 0.00 57.03 56.35 2x6i h ASP 569 Cb 1.19 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.65 2x6i h ASP 569 CO 0.02 0.15 -0.08 -0.33 -3.12 0.00 0.00 179.24 175.88 2x6i h GLU 570 N 0.42 0.65 -0.35 3.56 5.08 -1.92 -0.34 114.58 121.68 2x6i h GLU 570 Ca 0.51 -0.19 -0.16 0.00 -1.00 0.00 0.00 59.36 58.52 2x6i h GLU 570 Cb 1.26 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2x6i h GLU 570 CO -0.21 0.73 -0.42 0.00 -1.00 0.00 0.00 179.01 178.10 2x6i h ARG 571 N 0.60 0.88 0.18 2.33 2.47 -0.83 -2.39 114.38 117.61 2x6i h ARG 571 Ca 0.11 -0.48 -0.34 0.00 -1.26 0.00 0.00 59.98 58.01 2x6i h ARG 571 Cb 0.50 0.03 0.01 0.00 -1.65 0.00 0.00 29.97 28.85 2x6i h ARG 571 CO 0.03 1.13 -1.71 0.00 0.56 0.00 0.00 179.97 179.98 2x6i h ALA 572 N 0.80 0.17 -0.58 0.04 0.00 -1.46 -3.09 119.26 115.14 2x6i h ALA 572 Ca 0.05 -1.13 -0.06 0.00 0.00 0.00 0.00 54.91 53.77 2x6i h ALA 572 Cb 1.01 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 2x6i h ALA 572 CO 0.10 1.04 0.12 1.25 0.00 0.00 0.00 179.25 181.76 2x6i h HIS 573 N 0.10 0.95 -0.07 0.00 -0.00 -1.08 -1.22 115.15 113.83 2x6i h HIS 573 Ca -0.32 -0.10 -0.14 0.00 -0.00 0.00 0.00 60.37 59.80 2x6i h HIS 573 Cb 2.09 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 29.21 2x6i h HIS 573 CO 0.09 0.80 -0.58 -0.44 -0.00 0.00 0.00 177.93 177.81 2x6i h ASP 574 N 0.87 0.26 -0.06 3.26 5.19 -1.49 -1.15 116.42 123.30 2x6i h ASP 574 Ca 0.19 -0.15 -0.22 0.00 -0.62 0.00 0.00 57.03 56.23 2x6i h ASP 574 Cb 0.34 -0.08 0.01 0.00 0.18 0.00 0.00 39.33 39.79 2x6i h ASP 574 CO 0.00 0.78 -0.83 -0.03 -3.12 0.00 0.00 179.24 176.05 2x6i h MET 575 N 0.18 0.66 -0.03 3.56 4.05 -1.26 -2.71 114.93 119.38 2x6i h MET 575 Ca -0.00 -0.64 -0.21 0.00 -0.28 0.00 0.00 59.70 58.57 2x6i h MET 575 Cb 1.07 0.16 0.00 0.00 -0.80 0.00 0.00 31.60 32.03 2x6i h MET 575 CO 0.09 1.24 -0.87 1.88 0.23 0.00 0.00 176.91 179.48 2x6i h TYR 576 N 0.32 0.63 -0.43 1.39 -1.99 -1.08 -1.47 116.97 114.35 2x6i h TYR 576 Ca -0.09 -0.32 -0.01 0.00 2.00 0.00 0.00 58.73 60.31 2x6i h TYR 576 Cb 1.48 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 40.11 2x6i h TYR 576 CO 0.11 1.12 0.21 0.00 -0.00 0.00 0.00 178.16 179.60 2x6i h ALA 577 N 0.78 1.57 0.15 3.88 0.00 -1.14 -1.36 119.26 123.14 2x6i h ALA 577 Ca -0.06 -0.09 -0.29 0.00 0.00 0.00 0.00 54.91 54.47 2x6i h ALA 577 Cb 1.49 -0.18 0.03 0.00 0.00 0.00 0.00 17.79 19.13 2x6i h ALA 577 CO 0.15 0.35 -1.22 1.98 0.00 0.00 0.00 179.25 180.51 2x6i h MET 578 N 0.59 0.57 -0.92 0.00 -1.53 -1.05 -2.70 114.93 109.88 2x6i h MET 578 Ca 0.15 -0.81 0.00 0.00 -3.44 0.00 0.00 59.70 55.61 2x6i h MET 578 Cb 0.06 0.28 -0.05 0.00 -0.55 0.00 0.00 31.60 31.34 2x6i h MET 578 CO -0.02 1.37 0.58 0.28 0.14 0.00 0.00 176.91 179.26 2x6i h VAL 579 N 0.16 1.25 -0.22 -5.77 2.07 -0.27 -1.90 116.25 111.56 2x6i h VAL 579 Ca -0.19 -0.50 -0.17 0.00 0.82 0.00 0.00 66.70 66.66 2x6i h VAL 579 Cb 1.91 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2x6i h VAL 579 CO 0.23 0.25 -0.56 0.25 0.02 0.00 0.00 177.57 177.76 2x6i h LEU 580 N 1.26 0.77 -1.07 2.57 6.46 -1.23 -2.21 115.31 121.87 2x6i h LEU 580 Ca 0.33 -0.42 -0.09 0.00 -0.12 0.00 0.00 57.88 57.59 2x6i h LEU 580 Cb -0.10 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 39.60 2x6i h LEU 580 CO -0.07 1.17 -0.32 0.11 -0.62 0.00 0.00 178.44 178.71 2x6i h LYS 581 N 0.53 0.25 -0.28 1.25 6.56 -1.03 -1.53 116.57 122.32 2x6i h LYS 581 Ca 0.01 -0.10 -0.19 0.00 -1.06 0.00 0.00 60.65 59.31 2x6i h LYS 581 Cb 1.14 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.79 2x6i h LYS 581 CO 0.11 0.55 -0.56 0.52 -2.06 0.00 0.00 179.45 178.01 2x6i h MET 582 N 0.22 0.88 -0.41 3.15 2.86 -0.99 -2.21 114.93 118.43 2x6i h MET 582 Ca 0.03 -0.57 -0.12 0.00 -2.06 0.00 0.00 59.70 56.98 2x6i h MET 582 Cb 0.68 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 2x6i h MET 582 CO 0.05 1.20 -0.22 0.35 1.06 0.00 0.00 176.91 179.35 2x6i h PHE 583 N 0.67 0.95 -0.03 -0.22 3.57 -0.76 -1.10 116.94 120.02 2x6i h PHE 583 Ca 0.01 -0.22 -0.12 0.00 3.53 0.00 0.00 57.97 61.17 2x6i h PHE 583 Cb 1.18 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 2x6i h PHE 583 CO 0.07 0.97 -0.56 -0.07 -2.23 0.00 0.00 178.31 176.50 2x6i h LEU 584 N 0.72 0.09 -0.24 0.59 3.38 -1.24 -2.68 115.31 115.93 2x6i h LEU 584 Ca 0.10 -0.05 -0.20 0.00 0.09 0.00 0.00 57.88 57.82 2x6i h LEU 584 Cb 0.75 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2x6i h LEU 584 CO 0.06 0.63 -0.90 0.50 0.09 0.00 0.00 178.44 178.82 2x6i h LYS 585 N 0.06 0.18 0.00 1.13 1.63 -0.80 -1.85 116.57 116.93 2x6i h LYS 585 Ca -0.00 -0.21 -0.10 0.00 -0.85 0.00 0.00 60.65 59.49 2x6i h LYS 585 Cb 1.01 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.69 2x6i h LYS 585 CO 0.08 0.97 -0.48 0.28 -3.45 0.00 0.00 179.45 176.85 2x6i h VAL 586 N 0.10 1.15 0.10 2.00 2.07 -1.07 -3.09 116.25 117.51 2x6i h VAL 586 Ca -0.05 -1.74 -0.25 0.00 0.82 0.00 0.00 66.70 65.49 2x6i h VAL 586 Cb 1.55 1.99 -0.00 0.00 -1.52 0.00 0.00 31.29 33.30 2x6i h VAL 586 CO 0.14 0.47 -1.25 -0.07 0.02 0.00 0.00 177.57 176.87 2x6i h LEU 587 N 0.00 0.32 -1.82 2.57 3.38 -1.37 -2.93 115.31 115.47 2x6i h LEU 587 Ca -0.00 -0.84 0.05 0.00 0.09 0.00 0.00 57.88 57.17 2x6i h LEU 587 Cb 0.95 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2x6i h LEU 587 CO 0.06 1.55 0.44 -0.33 0.09 0.00 0.00 178.44 180.25 2x6i h GLU 588 N -0.43 0.00 0.00 1.13 5.08 -1.35 -0.26 114.58 118.75 2x6i h GLU 588 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2x6i h GLU 588 Cb 1.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.90 2x6i h GLU 588 CO 0.03 0.00 -1.27 0.09 -1.00 0.00 0.00 179.01 176.86 2x6i n ASN 589 N -3.12 1.43 0.00 1.42 3.02 -1.17 -4.92 115.26 111.92 2x6i n ASN 589 Ca 0.02 -0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.28 2x6i n ASN 589 Cb 0.53 1.40 0.00 0.00 -0.61 0.00 0.00 39.78 41.11 2x6i n ASN 589 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x6i n GLY 590 N 1.58 -0.71 0.00 7.41 0.00 -0.11 -4.98 105.19 108.37 2x6i n GLY 590 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2x6i n GLY 590 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2x6i n ASN 591 N -1.51 0.00 -0.03 1.61 0.23 -1.26 -4.92 115.26 109.38 2x6i n ASN 591 Ca 0.00 0.00 -0.04 0.00 -0.53 0.00 0.00 54.58 54.01 2x6i n ASN 591 Cb 0.00 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.66 2x6i n ASN 591 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 2x6i n PHE 592 N 0.00 0.00 0.09 -2.53 0.99 -1.26 -3.47 117.46 111.28 2x6i n PHE 592 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.45 57.29 2x6i n PHE 592 Cb 0.00 -0.28 -0.14 0.00 -1.00 0.00 0.00 39.48 38.06 2x6i n PHE 592 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 2x6i h ASN 593 N 0.00 0.41 0.32 4.37 2.35 -1.97 0.39 115.58 121.45 2x6i h ASN 593 Ca -0.16 -0.49 -0.33 0.00 -0.55 0.00 0.00 56.30 54.77 2x6i h ASN 593 Cb 1.31 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 39.56 2x6i h ASN 593 CO -0.00 1.40 -1.58 -0.07 -1.65 0.00 0.00 177.43 175.52 2x6i h LEU 594 N 0.07 0.59 -1.02 1.61 3.38 -1.87 -2.12 115.31 115.95 2x6i h LEU 594 Ca -0.18 -0.77 -0.06 0.00 0.09 0.00 0.00 57.88 56.95 2x6i h LEU 594 Cb 1.99 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.53 2x6i h LEU 594 CO 0.19 1.63 0.01 0.03 0.09 0.00 0.00 178.44 180.39 2x6i h ARG 595 N 0.10 0.71 -0.50 1.13 3.08 -1.57 -1.89 114.38 115.44 2x6i h ARG 595 Ca -0.28 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 59.51 2x6i h ARG 595 Cb 2.08 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 32.02 2x6i h ARG 595 CO 0.20 0.72 -0.05 0.78 -1.07 0.00 0.00 179.97 180.55 2x6i h GLY 596 N 0.94 0.94 1.13 0.04 0.00 -0.60 0.59 103.07 106.12 2x6i h GLY 596 Ca 0.14 -0.68 -0.09 0.00 0.00 0.00 0.00 47.33 46.69 2x6i h GLY 596 CO 0.01 0.63 0.03 -2.22 0.00 0.00 0.00 176.54 174.99 2x6i h ILE 597 N 0.80 1.26 -0.28 2.60 2.04 -0.69 -2.51 117.51 120.73 2x6i h ILE 597 Ca 0.14 -1.11 -0.07 0.00 1.00 0.00 0.00 64.86 64.82 2x6i h ILE 597 Cb 0.55 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 2x6i h ILE 597 CO 0.03 0.40 -0.14 0.15 0.00 0.00 0.00 178.15 178.59 2x6i h PHE 598 N 0.97 0.52 -0.05 1.37 3.57 -0.42 -1.77 116.94 121.12 2x6i h PHE 598 Ca 0.18 -0.08 -0.20 0.00 3.53 0.00 0.00 57.97 61.39 2x6i h PHE 598 Cb 0.51 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 2x6i h PHE 598 CO 0.04 0.61 -0.81 1.88 -2.23 0.00 0.00 178.31 177.79 2x6i h TYR 599 N 0.44 0.59 -0.08 0.41 -1.99 -0.90 -2.74 116.97 112.69 2x6i h TYR 599 Ca 0.08 -0.29 -0.15 0.00 2.00 0.00 0.00 58.73 60.37 2x6i h TYR 599 Cb 0.51 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 39.15 2x6i h TYR 599 CO 0.02 1.07 -0.61 -0.91 -0.00 0.00 0.00 178.16 177.72 2x6i h ASN 600 N 0.27 0.34 -0.47 3.88 2.35 -1.02 -1.51 115.58 119.42 2x6i h ASN 600 Ca -0.05 -0.20 -0.13 0.00 -0.55 0.00 0.00 56.30 55.38 2x6i h ASN 600 Cb 1.42 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.68 2x6i h ASN 600 CO 0.14 0.87 -0.20 -0.07 -1.65 0.00 0.00 177.43 176.52 2x6i h LEU 601 N 0.22 1.00 -1.01 1.61 3.38 -1.34 -2.06 115.31 117.11 2x6i h LEU 601 Ca -0.01 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.58 2x6i h LEU 601 Cb 1.13 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.56 2x6i h LEU 601 CO 0.10 1.17 0.67 -0.09 0.09 0.00 0.00 178.44 180.37 2x6i h ARG 602 N 0.82 1.32 -0.38 1.13 1.12 -1.05 0.13 114.38 117.48 2x6i h ARG 602 Ca 0.11 -0.08 -0.13 0.00 -1.11 0.00 0.00 59.98 58.77 2x6i h ARG 602 Cb 0.78 -0.30 -0.01 0.00 -0.01 0.00 0.00 29.97 30.43 2x6i h ARG 602 CO 0.06 0.88 -0.28 0.87 -3.11 0.00 0.00 179.97 178.39 2x6i h LYS 603 N 1.36 0.79 -0.17 0.20 1.57 -1.02 -1.82 116.57 117.49 2x6i h LYS 603 Ca 0.37 -0.35 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 2x6i h LYS 603 Cb -0.15 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 2x6i h LYS 603 CO -0.08 0.97 -0.25 1.96 -0.57 0.00 0.00 179.45 181.49 2x6i h GLN 604 N 0.68 0.46 -0.59 3.15 4.20 -0.43 -1.72 115.11 120.85 2x6i h GLN 604 Ca 0.08 -0.27 -0.07 0.00 0.06 0.00 0.00 58.65 58.45 2x6i h GLN 604 Cb 0.81 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.59 2x6i h GLN 604 CO 0.07 0.86 0.10 -0.09 -0.67 0.00 0.00 178.83 179.10 2x6i h ARG 605 N 0.10 0.95 0.02 1.46 9.65 -0.69 -1.69 114.38 124.17 2x6i h ARG 605 Ca 0.02 -0.23 -0.22 0.00 -1.10 0.00 0.00 59.98 58.45 2x6i h ARG 605 Cb 0.82 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.27 2x6i h ARG 605 CO 0.06 0.87 -0.94 0.00 2.80 0.00 0.00 179.97 182.76 2x6i h ARG 606 N 0.90 0.26 -0.32 0.20 3.08 -1.26 -3.14 114.38 114.09 2x6i h ARG 606 Ca 0.19 -0.30 -0.15 0.00 0.07 0.00 0.00 59.98 59.79 2x6i h ARG 606 Cb 0.38 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.52 2x6i h ARG 606 CO 0.01 1.03 -0.38 0.35 -1.07 0.00 0.00 179.97 179.91 2x6i h PHE 607 N 0.14 0.99 -0.37 3.04 3.04 -0.44 -3.11 116.94 120.22 2x6i h PHE 607 Ca -0.06 -0.31 -0.05 0.00 3.98 0.00 0.00 57.97 61.53 2x6i h PHE 607 Cb 1.59 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 39.88 2x6i h PHE 607 CO 0.04 1.11 0.05 0.82 -2.02 0.00 0.00 178.31 178.31 2x6i h ILE 608 N 0.59 1.24 -0.78 1.41 1.08 -1.36 -2.13 117.51 117.56 2x6i h ILE 608 Ca 0.04 -0.87 0.07 0.00 -0.39 0.00 0.00 64.86 63.72 2x6i h ILE 608 Cb 0.96 1.09 -0.05 0.00 -3.07 0.00 0.00 36.82 35.75 2x6i h ILE 608 CO 0.09 0.29 0.51 0.44 -0.69 0.00 0.00 178.15 178.80 2x6i h ASP 609 N 0.46 0.72 -0.14 1.72 3.32 -1.50 0.76 116.42 121.76 2x6i h ASP 609 Ca 0.11 0.01 -0.18 0.00 0.02 0.00 0.00 57.03 56.99 2x6i h ASP 609 Cb 0.37 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.79 2x6i h ASP 609 CO 0.01 0.45 -0.62 -0.33 -1.72 0.00 0.00 179.24 177.03 2x6i h GLU 610 N 0.81 0.67 -0.89 3.56 4.39 -1.45 -0.33 114.58 121.34 2x6i h GLU 610 Ca 0.34 -0.53 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 2x6i h GLU 610 Cb 0.30 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.01 2x6i h GLU 610 CO -0.12 1.15 0.50 1.25 -1.16 0.00 0.00 179.01 180.63 2x6i h LEU 611 N 0.35 1.10 -0.53 1.33 7.12 0.04 -0.60 115.31 124.13 2x6i h LEU 611 Ca -0.04 -0.09 -0.16 0.00 0.13 0.00 0.00 57.88 57.72 2x6i h LEU 611 Cb 1.25 -0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 41.09 2x6i h LEU 611 CO 0.13 0.88 -0.62 0.58 -0.13 0.00 0.00 178.44 179.28 2x6i h VAL 612 N 1.24 1.36 -0.36 1.05 2.07 0.54 -1.42 116.25 120.74 2x6i h VAL 612 Ca 0.32 -1.95 -0.03 0.00 0.82 0.00 0.00 66.70 65.86 2x6i h VAL 612 Cb 0.01 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 2x6i h VAL 612 CO -0.05 0.59 0.11 0.11 0.02 0.00 0.00 177.57 178.35 2x6i h LYS 613 N 0.30 0.56 -0.25 1.57 1.57 0.06 -1.97 116.57 118.41 2x6i h LYS 613 Ca -0.01 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 2x6i h LYS 613 Cb 1.16 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 2x6i h LYS 613 CO 0.11 0.58 0.10 1.25 -0.57 0.00 0.00 179.45 180.92 2x6i h LEU 614 N 0.43 0.35 -1.44 2.94 5.85 -0.83 -1.90 115.31 120.72 2x6i h LEU 614 Ca 0.12 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.72 2x6i h LEU 614 Cb 0.25 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 2x6i h LEU 614 CO -0.00 0.42 0.43 0.58 -0.34 0.00 0.00 178.44 179.52 2x6i h VAL 615 N 0.26 1.04 0.00 1.05 2.07 -0.91 -0.34 116.25 119.41 2x6i h VAL 615 Ca 0.08 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 2x6i h VAL 615 Cb 0.18 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 2x6i h VAL 615 CO -0.01 0.13 -0.32 0.11 0.02 0.00 0.00 177.57 177.50 2x6i h LYS 616 N 0.71 0.00 0.04 1.57 1.57 -0.59 -2.04 116.57 117.83 2x6i h LYS 616 Ca 0.27 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.83 2x6i h LYS 616 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2x6i h LYS 616 CO -0.08 0.32 -1.02 -0.07 -0.57 0.00 0.00 179.45 178.03 2x6i h LEU 617 N 0.00 0.22 -0.60 2.94 3.38 -0.87 -3.04 115.31 117.34 2x6i h LEU 617 Ca -0.00 -0.21 -0.14 0.00 0.09 0.00 0.00 57.88 57.62 2x6i h LEU 617 Cb 0.72 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2x6i h LEU 617 CO 0.04 1.10 -0.35 0.58 0.09 0.00 0.00 178.44 179.91 2x6i h VAL 618 N 0.06 1.28 0.00 1.22 2.07 -1.08 -2.79 116.25 117.01 2x6i h VAL 618 Ca -0.06 -1.50 -0.08 0.00 0.82 0.00 0.00 66.70 65.88 2x6i h VAL 618 Cb 1.72 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 2x6i h VAL 618 CO 0.15 0.49 -0.36 0.00 0.02 0.00 0.00 177.57 177.87 2x6i h ALA 619 N 1.00 1.15 0.02 1.67 0.00 -1.32 -3.26 119.26 118.52 2x6i h ALA 619 Ca 0.06 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2x6i h ALA 619 Cb 0.88 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2x6i h ALA 619 CO 0.08 0.45 -0.01 0.87 0.00 0.00 0.00 179.25 180.64 2x6i h LYS 620 N 0.00 -0.03 -6.14 0.00 1.57 -1.39 -3.45 116.57 107.14 2x6i h LYS 620 Ca -0.00 0.00 -0.74 0.00 -1.87 0.00 0.00 60.65 58.03 2x6i h LYS 620 Cb 0.77 0.01 0.04 0.00 0.08 0.00 0.00 32.23 33.12 2x6i h LYS 620 CO 0.05 0.19 0.45 -1.91 -0.57 0.00 0.00 179.45 177.67 2x6i n GLU 621 N -4.76 0.70 -3.04 3.15 2.13 -1.12 -4.90 120.64 112.80 2x6i n GLU 621 Ca -0.03 0.25 -0.37 0.00 0.66 0.00 0.00 57.16 57.68 2x6i n GLU 621 Cb 0.11 -1.85 -0.06 0.00 0.27 0.00 0.00 31.44 29.91 2x6i n GLU 621 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2x6i s PRO 622 N 1.20 4.38 0.00 5.31 0.05 -1.26 -4.95 135.00 139.74 2x6i s PRO 622 Ca 0.91 1.00 0.00 0.00 0.05 0.00 0.00 61.00 62.96 2x6i s PRO 622 Cb -1.13 -3.01 0.00 0.00 0.05 0.00 0.00 34.50 30.42 2x6i s PRO 622 CO 0.57 0.45 0.00 0.41 0.05 0.00 0.00 177.00 178.48 2x6i n GLY 623 N 1.02 2.60 3.67 0.56 0.00 -1.26 -4.91 105.19 106.88 2x6i n GLY 623 Ca -0.03 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.02 2x6i n GLY 623 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x6i s ASN 624 N 0.00 2.34 0.26 1.61 2.20 -1.26 -4.59 114.94 115.49 2x6i s ASN 624 Ca 0.00 1.03 -0.03 0.00 -0.94 0.00 0.00 52.86 52.92 2x6i s ASN 624 Cb 0.00 -1.60 0.55 0.00 -2.00 0.00 0.00 41.25 38.20 2x6i s ASN 624 CO 0.00 -3.29 1.65 0.08 -2.94 0.00 0.00 177.10 172.60 2x6i h ARG 625 N -2.00 0.18 -0.93 3.55 0.11 -1.98 0.77 114.38 114.06 2x6i h ARG 625 Ca -0.53 -0.01 0.01 0.00 0.10 0.00 0.00 59.98 59.55 2x6i h ARG 625 Cb 1.33 -0.04 -0.05 0.00 1.11 0.00 0.00 29.97 32.32 2x6i h ARG 625 CO 0.54 0.12 0.60 -0.91 0.10 0.00 0.00 179.97 180.42 2x6i h ASN 626 N 0.18 1.08 0.08 0.08 2.35 -1.98 0.34 115.58 117.71 2x6i h ASN 626 Ca 0.47 -0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 56.06 2x6i h ASN 626 Cb 0.87 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 2x6i h ASN 626 CO -0.63 0.80 -0.39 0.11 -1.65 0.00 0.00 177.43 175.67 2x6i h LYS 627 N 1.27 0.41 -0.08 0.81 1.57 -1.20 -2.43 116.57 116.92 2x6i h LYS 627 Ca 0.34 -0.19 -0.20 0.00 -1.87 0.00 0.00 60.65 58.72 2x6i h LYS 627 Cb -0.13 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.18 2x6i h LYS 627 CO -0.07 0.73 -0.79 0.87 -0.57 0.00 0.00 179.45 179.63 2x6i h LYS 628 N 0.34 0.49 0.00 3.15 1.57 0.07 -2.61 116.57 119.58 2x6i h LYS 628 Ca 0.03 -0.43 -0.12 0.00 -1.87 0.00 0.00 60.65 58.26 2x6i h LYS 628 Cb 0.84 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 2x6i h LYS 628 CO 0.07 1.06 -0.59 0.00 -0.57 0.00 0.00 179.45 179.42 2x6i h THR 629 N 0.32 1.33 -0.16 -0.16 1.03 -0.28 -1.75 112.91 113.24 2x6i h THR 629 Ca -0.05 -2.08 -0.13 0.00 -0.01 0.00 0.00 66.41 64.14 2x6i h THR 629 Cb 1.39 2.15 -0.01 0.00 -1.07 0.00 0.00 68.15 70.61 2x6i h THR 629 CO 0.14 0.58 -0.47 -0.33 -0.01 0.00 0.00 175.52 175.43 2x6i h GLU 630 N 0.00 0.41 -0.16 0.00 5.08 -1.23 -1.25 114.58 117.43 2x6i h GLU 630 Ca -0.01 -0.23 -0.14 0.00 -1.00 0.00 0.00 59.36 57.99 2x6i h GLU 630 Cb 1.10 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2x6i h GLU 630 CO 0.08 0.80 -0.50 -0.22 -1.00 0.00 0.00 179.01 178.16 2x6i h LYS 631 N 0.33 0.43 -0.28 2.33 1.63 -1.09 -2.56 116.57 117.35 2x6i h LYS 631 Ca 0.02 -0.25 -0.18 0.00 -0.85 0.00 0.00 60.65 59.39 2x6i h LYS 631 Cb 0.95 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.60 2x6i h LYS 631 CO 0.08 0.84 -0.52 0.35 -3.45 0.00 0.00 179.45 176.75 2x6i h PHE 632 N 0.34 1.07 -0.24 1.91 3.04 -0.86 -2.64 116.94 119.55 2x6i h PHE 632 Ca 0.01 -0.38 -0.06 0.00 3.98 0.00 0.00 57.97 61.53 2x6i h PHE 632 Cb 1.00 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 39.30 2x6i h PHE 632 CO 0.03 1.20 -0.11 1.96 -2.02 0.00 0.00 178.31 179.38 2x6i h GLN 633 N 0.63 0.39 0.11 1.11 4.20 -1.01 -2.68 115.11 117.85 2x6i h GLN 633 Ca 0.02 -0.10 -0.27 0.00 0.06 0.00 0.00 58.65 58.36 2x6i h GLN 633 Cb 1.13 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.87 2x6i h GLN 633 CO 0.12 0.51 -1.19 -0.22 -0.67 0.00 0.00 178.83 177.37 2x6i h LYS 634 N 0.37 0.37 -0.07 1.46 3.11 -1.31 -3.27 116.57 117.23 2x6i h LYS 634 Ca 0.07 -0.54 -0.11 0.00 -2.81 0.00 0.00 60.65 57.26 2x6i h LYS 634 Cb 0.42 0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 31.82 2x6i h LYS 634 CO 0.02 1.23 -0.46 -0.07 -2.81 0.00 0.00 179.45 177.36 2x6i h LEU 635 N 0.14 0.17 -0.70 5.20 3.38 -1.13 -1.29 115.31 121.08 2x6i h LEU 635 Ca -0.14 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.62 2x6i h LEU 635 Cb 1.89 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.57 2x6i h LEU 635 CO 0.20 0.61 -0.63 -0.07 0.09 0.00 0.00 178.44 178.64 2x6i h LEU 636 N 0.13 0.09 0.00 1.67 3.38 -1.58 -3.03 115.31 115.97 2x6i h LEU 636 Ca 0.01 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 2x6i h LEU 636 Cb 0.87 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2x6i h LEU 636 CO 0.07 0.70 -1.19 0.00 0.09 0.00 0.00 178.44 178.10 2x6i n ALA 637 N -2.44 2.33 -1.66 1.53 0.00 -0.92 -3.80 120.51 115.55 2x6i n ALA 637 Ca -0.02 -0.35 -0.45 0.00 0.00 0.00 0.00 53.44 52.62 2x6i n ALA 637 Cb 0.63 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.00 2x6i n ALA 637 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2x6i n GLU 638 N -2.73 2.47 -4.00 0.00 4.07 -0.53 -4.91 120.64 115.02 2x6i n GLU 638 Ca -0.04 0.89 -0.29 0.00 -0.06 0.00 0.00 57.16 57.67 2x6i n GLU 638 Cb 0.65 -2.86 -0.05 0.00 -0.06 0.00 0.00 31.44 29.12 2x6i n GLU 638 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 2x6i s GLN 639 N 4.49 3.14 -1.83 5.31 -0.21 -1.26 -4.39 119.66 124.91 2x6i s GLN 639 Ca 0.92 -0.64 0.00 0.00 0.02 0.00 0.00 55.36 55.66 2x6i s GLN 639 Cb -0.55 -2.84 0.00 0.00 1.00 0.00 0.00 33.01 30.62 2x6i s GLN 639 CO 0.46 0.56 0.00 -0.25 -2.12 0.00 0.00 175.29 173.94 2x6i n ASP 640 N 0.08 -4.84 0.18 5.90 10.43 -1.26 -4.69 116.55 122.36 2x6i n ASP 640 Ca -0.07 0.43 0.08 0.00 2.57 0.00 0.00 54.79 57.80 2x6i n ASP 640 Cb 0.52 -4.24 0.10 0.00 1.84 0.00 0.00 41.12 39.34 2x6i n ASP 640 CO 0.00 0.00 0.00 -0.03 -1.07 0.00 0.00 177.20 176.10 2x6i h MET 641 N 0.00 0.00 -4.73 -1.24 4.05 -1.92 -3.47 114.93 107.62 2x6i h MET 641 Ca -0.35 0.00 -0.36 0.00 -0.28 0.00 0.00 59.70 58.70 2x6i h MET 641 Cb 1.17 0.00 -0.26 0.00 -0.80 0.00 0.00 31.60 31.71 2x6i h MET 641 CO 0.52 0.20 -0.77 -0.06 0.23 0.00 0.00 176.91 177.03 2x6i s PHE 642 N -3.12 0.79 0.43 1.39 0.40 -1.26 -5.03 117.98 111.58 2x6i s PHE 642 Ca 0.05 -0.25 0.23 0.00 -0.60 0.00 0.00 56.93 56.36 2x6i s PHE 642 Cb 0.06 -0.49 1.23 0.00 0.51 0.00 0.00 43.02 44.33 2x6i s PHE 642 CO 0.71 -0.02 1.76 -0.22 0.70 0.00 0.00 175.22 178.16 2x6i h LYS 643 N 5.44 0.28 -5.96 0.44 1.63 -1.98 -3.33 116.57 113.08 2x6i h LYS 643 Ca -0.33 -0.02 -0.67 0.00 -0.85 0.00 0.00 60.65 58.79 2x6i h LYS 643 Cb 1.19 -0.06 -0.12 0.00 -0.60 0.00 0.00 32.23 32.64 2x6i h LYS 643 CO 0.47 0.18 -0.59 0.54 -3.45 0.00 0.00 179.45 176.60 2x6i s VAL 644 N -5.36 4.61 -0.30 2.00 0.11 -1.26 -5.08 120.40 115.11 2x6i s VAL 644 Ca -0.08 -0.29 -0.10 0.00 -2.93 0.00 0.00 61.98 58.57 2x6i s VAL 644 Cb 0.25 -3.03 -0.02 0.00 -1.53 0.00 0.00 36.38 32.06 2x6i s VAL 644 CO 0.80 0.48 0.17 0.21 -3.33 0.00 0.00 175.10 173.43 2x6i s ASN 645 N -1.31 5.71 0.02 3.54 3.04 -1.25 -4.76 114.94 119.92 2x6i s ASN 645 Ca 0.18 -0.36 -0.21 0.00 0.04 0.00 0.00 52.86 52.51 2x6i s ASN 645 Cb -0.12 -2.05 -0.17 0.00 -1.54 0.00 0.00 41.25 37.38 2x6i s ASN 645 CO 0.08 -0.15 1.29 -0.26 -3.04 0.00 0.00 177.10 175.01 2x6i h PHE 646 N 8.37 0.36 -0.42 0.43 -1.00 -1.85 -3.11 116.94 119.72 2x6i h PHE 646 Ca -0.33 -0.12 0.12 0.00 2.81 0.00 0.00 57.97 60.45 2x6i h PHE 646 Cb 1.16 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 40.63 2x6i h PHE 646 CO 0.67 0.75 0.41 1.79 -1.61 0.00 0.00 178.31 180.32 2x6i h THR 647 N -0.14 0.46 -3.86 -1.55 1.35 -1.80 -2.96 112.91 104.41 2x6i h THR 647 Ca 0.01 0.00 -0.26 0.00 -0.55 0.00 0.00 66.41 65.61 2x6i h THR 647 Cb 0.71 0.69 -0.26 0.00 -1.73 0.00 0.00 68.15 67.56 2x6i h THR 647 CO 0.04 0.00 -0.73 0.21 -0.25 0.00 0.00 175.52 174.79 2x6i s ASN 648 N -5.54 0.35 0.31 5.36 3.84 -1.18 -4.50 114.94 113.58 2x6i s ASN 648 Ca -0.04 -0.19 0.04 0.00 0.21 0.00 0.00 52.86 52.88 2x6i s ASN 648 Cb 0.16 -0.00 -0.03 0.00 -0.55 0.00 0.00 41.25 40.83 2x6i s ASN 648 CO 0.59 -0.06 0.19 0.72 -2.79 0.00 0.00 177.10 175.75 2x6i s PHE 649 N -0.47 1.62 0.34 0.43 -0.12 -1.14 -4.39 117.98 114.25 2x6i s PHE 649 Ca -0.03 -1.45 -0.29 0.00 -0.05 0.00 0.00 56.93 55.11 2x6i s PHE 649 Cb -0.04 -0.81 -0.11 0.00 -0.63 0.00 0.00 43.02 41.43 2x6i s PHE 649 CO -0.00 -0.62 1.49 -1.21 -0.05 0.00 0.00 175.22 174.83 2x6i s GLU 650 N -3.74 4.15 0.26 1.99 0.41 -1.26 -4.71 118.70 115.81 2x6i s GLU 650 Ca 0.36 2.52 -0.31 0.00 -0.41 0.00 0.00 54.97 57.14 2x6i s GLU 650 Cb 0.04 -3.00 -0.11 0.00 -1.78 0.00 0.00 34.13 29.28 2x6i s GLU 650 CO 0.20 -0.52 1.63 -2.14 -0.49 0.00 0.00 175.26 173.94 2x6i s PRO 651 N -1.57 4.13 -0.03 0.39 0.02 -1.26 -4.90 135.00 131.78 2x6i s PRO 651 Ca 0.55 2.57 0.03 0.00 0.02 0.00 0.00 61.00 64.18 2x6i s PRO 651 Cb -0.46 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.02 2x6i s PRO 651 CO 0.57 -0.66 -0.12 0.42 -0.33 0.00 0.00 177.00 176.88 2x6i s ILE 652 N 0.38 1.04 -0.11 2.83 1.01 -1.11 -4.91 121.20 120.33 2x6i s ILE 652 Ca 0.67 -0.50 -0.29 0.00 0.00 0.00 0.00 60.65 60.52 2x6i s ILE 652 Cb -0.48 -0.91 -0.06 0.00 0.01 0.00 0.00 42.46 41.02 2x6i s ILE 652 CO 0.43 0.31 1.99 -2.84 0.00 0.00 0.00 174.94 174.83 2x6i s PRO 653 N 0.11 3.69 -0.05 2.79 0.02 -1.26 0.38 135.00 140.69 2x6i s PRO 653 Ca -0.03 2.20 -0.39 0.00 0.02 0.00 0.00 61.00 62.81 2x6i s PRO 653 Cb -0.10 -4.22 -0.17 0.00 0.02 0.00 0.00 34.50 30.04 2x6i s PRO 653 CO 0.01 -1.46 1.42 0.34 -0.33 0.00 0.00 177.00 176.98 2x6i n PHE 654 N 9.30 1.54 0.06 6.54 7.35 -0.38 -4.80 117.46 137.07 2x6i n PHE 654 Ca 0.23 0.70 0.02 0.00 -0.76 0.00 0.00 57.45 57.65 2x6i n PHE 654 Cb 0.43 -2.33 0.39 0.00 0.35 0.00 0.00 39.48 38.33 2x6i n PHE 654 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 2x6i h PRO 655 N 5.02 0.40 -0.21 -7.13 0.11 -1.91 -1.58 132.00 126.71 2x6i h PRO 655 Ca -0.48 -0.06 -0.19 0.00 0.11 0.00 0.00 66.00 65.38 2x6i h PRO 655 Cb 1.35 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.39 2x6i h PRO 655 CO 0.82 0.40 -0.61 1.25 -0.21 0.00 0.00 178.00 179.64 2x6i h LEU 656 N 0.40 0.90 -7.10 2.35 6.46 -1.98 -3.41 115.31 112.93 2x6i h LEU 656 Ca 0.09 -0.58 -0.52 0.00 -0.12 0.00 0.00 57.88 56.75 2x6i h LEU 656 Cb 0.20 -0.26 -0.40 0.00 -0.73 0.00 0.00 40.66 39.46 2x6i h LEU 656 CO 0.00 1.32 -0.76 -0.62 -0.62 0.00 0.00 178.44 177.76 2x6i s ASP 657 N -6.94 3.12 0.57 1.25 3.68 -1.04 -4.95 116.67 112.36 2x6i s ASP 657 Ca -0.11 -1.02 0.26 0.00 2.13 0.00 0.00 52.55 53.81 2x6i s ASP 657 Cb 0.09 -0.51 1.60 0.00 -1.45 0.00 0.00 42.92 42.65 2x6i s ASP 657 CO 0.88 -0.36 2.15 -0.65 0.13 0.00 0.00 175.17 177.32 2x6i h PRO 658 N 8.29 0.00 -0.08 4.34 0.11 -1.53 -2.51 132.00 140.62 2x6i h PRO 658 Ca -0.16 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.84 2x6i h PRO 658 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2x6i h PRO 658 CO 0.37 0.00 -0.43 0.93 -0.21 0.00 0.00 178.00 178.67 2x6i h GLU 659 N 0.00 0.19 -5.32 1.05 5.08 -1.95 -3.42 114.58 110.21 2x6i h GLU 659 Ca 0.06 -0.09 -0.60 0.00 -1.00 0.00 0.00 59.36 57.73 2x6i h GLU 659 Cb 0.28 -0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.41 2x6i h GLU 659 CO -0.00 0.58 -0.39 0.42 -1.00 0.00 0.00 179.01 178.62 2x6i s ILE 660 N -4.10 5.33 0.52 3.13 1.01 -0.94 -5.02 121.20 121.13 2x6i s ILE 660 Ca -0.04 0.39 -0.10 0.00 0.00 0.00 0.00 60.65 60.90 2x6i s ILE 660 Cb 0.13 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 2x6i s ILE 660 CO 0.76 0.37 0.90 -0.31 0.00 0.00 0.00 174.94 176.66 2x6i s TYR 661 N 0.75 3.55 0.24 3.97 4.12 -1.26 -1.25 117.35 127.48 2x6i s TYR 661 Ca 0.12 1.12 0.07 0.00 0.02 0.00 0.00 57.07 58.40 2x6i s TYR 661 Cb -0.13 -2.55 -0.03 0.00 -1.52 0.00 0.00 41.96 37.73 2x6i s TYR 661 CO 0.03 -0.41 0.23 0.96 0.02 0.00 0.00 175.55 176.38 2x6i s ILE 662 N -2.82 4.62 0.00 2.71 -4.36 0.16 -3.30 121.20 118.21 2x6i s ILE 662 Ca 0.53 -1.30 0.00 0.00 -0.26 0.00 0.00 60.65 59.61 2x6i s ILE 662 Cb -0.10 -3.49 0.00 0.00 1.25 0.00 0.00 42.46 40.11 2x6i s ILE 662 CO 0.44 -0.33 0.00 1.07 0.24 0.00 0.00 174.94 176.35 2x6i n THR 663 N -1.19 0.00 -2.05 8.37 5.66 -0.93 -2.77 114.28 121.37 2x6i n THR 663 Ca -0.08 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.64 2x6i n THR 663 Cb 0.58 -0.07 0.12 0.00 -1.55 0.00 0.00 70.33 69.40 2x6i n THR 663 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2x6i s LYS 664 N 0.74 1.59 0.03 1.09 1.02 -1.25 -2.89 119.74 120.06 2x6i s LYS 664 Ca 0.00 -0.26 0.05 0.00 0.02 0.00 0.00 55.97 55.78 2x6i s LYS 664 Cb 0.00 -2.01 -0.03 0.00 -0.52 0.00 0.00 37.83 35.26 2x6i s LYS 664 CO 0.00 -1.74 -0.11 0.42 -0.92 0.00 0.00 175.35 172.99 2x6i s ILE 665 N -3.55 3.29 -0.41 2.17 1.01 -1.12 -2.33 121.20 120.27 2x6i s ILE 665 Ca 0.66 -1.01 -0.17 0.00 0.00 0.00 0.00 60.65 60.13 2x6i s ILE 665 Cb -0.08 -2.43 0.02 0.00 0.01 0.00 0.00 42.46 39.97 2x6i s ILE 665 CO 0.49 0.33 0.45 -0.69 0.00 0.00 0.00 174.94 175.51 2x6i s VAL 666 N -1.01 5.07 0.14 2.92 1.01 -1.18 -4.55 120.40 122.80 2x6i s VAL 666 Ca 0.17 -0.25 -0.18 0.00 0.00 0.00 0.00 61.98 61.72 2x6i s VAL 666 Cb -0.11 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 2x6i s VAL 666 CO 0.08 -0.40 1.76 -0.65 0.00 0.00 0.00 175.10 175.88 2x6i h PRO 667 N 8.70 0.23 -0.40 2.72 0.11 -1.92 -2.34 132.00 139.11 2x6i h PRO 667 Ca -0.27 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.85 2x6i h PRO 667 Cb 1.11 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 2x6i h PRO 667 CO 0.79 0.15 0.27 0.52 -0.21 0.00 0.00 178.00 179.52 2x6i h MET 668 N 0.24 0.45 0.00 1.05 2.86 -1.94 -1.43 114.93 116.16 2x6i h MET 668 Ca 0.12 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2x6i h MET 668 Cb 0.07 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.63 2x6i h MET 668 CO -0.11 0.30 0.00 0.54 1.06 0.00 0.00 176.91 178.69 2x6i n ARG 669 N -4.48 0.02 -2.77 1.72 1.74 -0.89 -4.75 116.66 107.25 2x6i n ARG 669 Ca 0.04 0.11 -0.42 0.00 -0.77 0.00 0.00 57.85 56.82 2x6i n ARG 669 Cb 0.12 -1.53 -0.03 0.00 -1.02 0.00 0.00 32.46 30.01 2x6i n ARG 669 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2x6i s THR 670 N -3.01 4.90 0.42 0.55 -4.23 -0.54 -4.71 115.64 109.02 2x6i s THR 670 Ca 0.11 1.95 0.07 0.00 -1.18 0.00 0.00 61.69 62.63 2x6i s THR 670 Cb 0.15 -4.27 -0.06 0.00 1.34 0.00 0.00 72.50 69.66 2x6i s THR 670 CO 0.43 0.17 0.08 -0.94 -0.54 0.00 0.00 174.62 173.82 2x6i s SER 671 N 0.98 4.11 0.10 3.99 1.04 -1.24 -4.94 113.70 117.73 2x6i s SER 671 Ca 0.49 -1.28 0.09 0.00 0.48 0.00 0.00 55.95 55.73 2x6i s SER 671 Cb -0.20 -0.35 -0.04 0.00 0.10 0.00 0.00 66.02 65.53 2x6i s SER 671 CO 0.26 -0.52 -0.19 -0.76 0.98 0.00 0.00 173.24 173.00 2x6i s LEU 672 N -3.80 2.63 0.67 2.42 1.43 -1.26 0.82 118.68 121.59 2x6i s LEU 672 Ca 0.35 -0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 52.79 2x6i s LEU 672 Cb 0.07 -1.50 -0.01 0.00 0.03 0.00 0.00 46.19 44.78 2x6i s LEU 672 CO 0.19 0.20 1.05 -0.36 0.23 0.00 0.00 176.35 177.65 2x6i s PHE 673 N -1.08 3.26 0.23 0.29 0.08 -0.80 -4.93 117.98 115.02 2x6i s PHE 673 Ca 0.17 1.38 -0.01 0.00 0.12 0.00 0.00 56.93 58.59 2x6i s PHE 673 Cb -0.10 -2.84 0.24 0.00 -0.57 0.00 0.00 43.02 39.75 2x6i s PHE 673 CO 0.09 -1.08 1.62 0.87 -0.10 0.00 0.00 175.22 176.61 2x6i h LYS 674 N -0.61 0.59 -3.01 0.44 6.56 -1.93 -3.42 116.57 115.19 2x6i h LYS 674 Ca -0.44 -0.27 -0.36 0.00 -1.06 0.00 0.00 60.65 58.52 2x6i h LYS 674 Cb 1.20 -0.01 0.04 0.00 -0.57 0.00 0.00 32.23 32.90 2x6i h LYS 674 CO 0.58 0.85 -0.14 0.45 -2.06 0.00 0.00 179.45 179.13 2x6i n SER 675 N -4.06 -0.36 -0.18 0.86 2.88 -1.26 -4.85 113.62 106.65 2x6i n SER 675 Ca -0.01 0.57 -0.10 0.00 -1.33 0.00 0.00 58.87 58.00 2x6i n SER 675 Cb 0.48 -0.47 0.03 0.00 -0.75 0.00 0.00 64.21 63.50 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 0.93 0.78 -2.39 -1.46 0.00 -2.04 -3.32 119.26 111.77 2x6i h ALA 676 Ca -0.19 -0.35 -0.54 0.00 0.00 0.00 0.00 54.91 53.83 2x6i h ALA 676 Cb 0.72 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2x6i h ALA 676 CO 0.30 0.67 0.42 -1.17 0.00 0.00 0.00 179.25 179.47 2x6i s LEU 677 N -9.18 4.35 -0.75 0.00 0.20 -1.26 -4.98 118.68 107.06 2x6i s LEU 677 Ca -0.11 1.67 -0.17 0.00 0.69 0.00 0.00 54.13 56.21 2x6i s LEU 677 Cb 0.13 -3.57 0.15 0.00 -0.43 0.00 0.00 46.19 42.47 2x6i s LEU 677 CO 0.86 -0.31 0.82 -0.04 -0.29 0.00 0.00 176.35 177.39 2x6i s MET 678 N 1.18 3.35 0.14 1.98 -1.94 -1.25 -4.92 119.30 117.84 2x6i s MET 678 Ca 0.52 -1.80 -0.10 0.00 -1.71 0.00 0.00 55.69 52.60 2x6i s MET 678 Cb -0.21 -4.48 -0.06 0.00 2.01 0.00 0.00 34.83 32.08 2x6i s MET 678 CO 0.27 -1.51 0.47 -1.25 -0.01 0.00 0.00 175.02 172.98 2x6i s PRO 679 N 1.86 3.80 0.60 2.03 0.04 -1.26 -4.78 135.00 137.29 2x6i s PRO 679 Ca 0.18 0.24 -0.14 0.00 0.04 0.00 0.00 61.00 61.32 2x6i s PRO 679 Cb -0.15 -2.89 -0.04 0.00 0.04 0.00 0.00 34.50 31.46 2x6i s PRO 679 CO -0.03 0.48 1.03 0.00 0.04 0.00 0.00 177.00 178.52 2x6i s ALA 680 N -1.54 2.87 0.35 8.56 0.00 -0.66 -1.91 121.76 129.43 2x6i s ALA 680 Ca 0.38 0.19 -0.14 0.00 0.00 0.00 0.00 51.96 52.40 2x6i s ALA 680 Cb -0.13 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 19.74 2x6i s ALA 680 CO 0.20 -0.73 0.75 0.21 0.00 0.00 0.00 175.76 176.19 2x6i s LYS 681 N -4.46 3.94 0.27 0.00 2.20 0.24 -2.24 119.74 119.70 2x6i s LYS 681 Ca 0.60 0.63 0.10 0.00 -0.36 0.00 0.00 55.97 56.94 2x6i s LYS 681 Cb -0.13 -2.41 -0.05 0.00 -1.51 0.00 0.00 37.83 33.73 2x6i s LYS 681 CO 0.42 0.09 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.83 2x6i s LEU 682 N -3.26 2.60 0.18 5.43 2.01 0.13 -3.67 118.68 122.09 2x6i s LEU 682 Ca 0.54 -1.07 0.08 0.00 0.01 0.00 0.00 54.13 53.69 2x6i s LEU 682 Cb -0.10 -0.96 -0.04 0.00 0.01 0.00 0.00 46.19 45.10 2x6i s LEU 682 CO 0.22 -0.07 -0.06 -0.89 1.01 0.00 0.00 176.35 176.56 2x6i s THR 683 N -2.66 3.41 0.31 5.49 2.01 -1.26 -2.06 115.64 120.87 2x6i s THR 683 Ca 0.29 -1.55 0.10 0.00 0.31 0.00 0.00 61.69 60.83 2x6i s THR 683 Cb -0.02 -2.69 -0.06 0.00 0.01 0.00 0.00 72.50 69.73 2x6i s THR 683 CO 0.13 -0.10 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.48 2x6i s PHE 684 N -1.70 2.29 0.61 4.92 0.08 -0.07 -3.08 117.98 121.03 2x6i s PHE 684 Ca 0.26 -0.48 -0.09 0.00 0.12 0.00 0.00 56.93 56.74 2x6i s PHE 684 Cb -0.09 -1.23 -0.01 0.00 -0.57 0.00 0.00 43.02 41.12 2x6i s PHE 684 CO 0.16 0.57 0.97 0.14 -0.10 0.00 0.00 175.22 176.97 2x6i s VAL 685 N -2.65 4.21 0.26 -0.44 -7.23 -0.98 -1.63 120.40 111.94 2x6i s VAL 685 Ca 0.31 0.46 0.06 0.00 -1.81 0.00 0.00 61.98 60.99 2x6i s VAL 685 Cb 0.01 -3.68 -0.06 0.00 0.56 0.00 0.00 36.38 33.21 2x6i s VAL 685 CO 0.15 -0.81 -0.05 0.42 -0.31 0.00 0.00 175.10 174.51 2x6i s THR 686 N -3.10 1.49 0.58 5.32 -4.23 -0.56 -2.20 115.64 112.94 2x6i s THR 686 Ca 0.54 -2.10 0.38 0.00 -1.18 0.00 0.00 61.69 59.33 2x6i s THR 686 Cb -0.11 -2.41 0.56 0.00 1.34 0.00 0.00 72.50 71.88 2x6i s THR 686 CO 0.50 -0.32 1.47 0.77 -0.54 0.00 0.00 174.62 176.50 2x6i h SER 687 N 2.34 0.00 -3.41 3.99 4.64 -1.84 -3.31 113.55 115.96 2x6i h SER 687 Ca -0.39 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.27 2x6i h SER 687 Cb 1.23 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 63.07 2x6i h SER 687 CO 0.66 0.00 -0.70 0.27 -0.87 0.00 0.00 176.83 176.20 2x6i s ILE 688 N -4.66 3.63 -1.67 0.95 -4.36 -1.26 -4.72 121.20 109.10 2x6i s ILE 688 Ca -0.04 -0.42 -0.11 0.00 -0.26 0.00 0.00 60.65 59.82 2x6i s ILE 688 Cb 0.20 -2.63 0.11 0.00 1.25 0.00 0.00 42.46 41.39 2x6i s ILE 688 CO 0.68 0.44 0.37 0.00 0.24 0.00 0.00 174.94 176.67 2x6i n ALA 689 N 4.38 -1.62 -1.36 2.27 0.00 -1.26 -1.69 120.51 121.21 2x6i n ALA 689 Ca -0.18 -0.27 -0.04 0.00 0.00 0.00 0.00 53.44 52.95 2x6i n ALA 689 Cb 0.51 -1.87 -0.02 0.00 0.00 0.00 0.00 19.45 18.08 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 -4.35 -0.96 -1.56 0.00 8.25 -1.25 -4.86 115.22 110.49 2x6i n HIS 690 Ca -0.11 0.00 -0.50 0.00 -0.26 0.00 0.00 57.72 56.85 2x6i n HIS 690 Cb 0.58 -1.55 -0.04 0.00 1.12 0.00 0.00 29.99 30.10 2x6i n HIS 690 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2x6i n HIS 691 N -1.56 1.09 -1.21 4.41 -0.00 -0.68 -4.41 115.22 112.85 2x6i n HIS 691 Ca -0.05 0.74 -0.29 0.00 -0.00 0.00 0.00 57.72 58.12 2x6i n HIS 691 Cb 0.21 -2.24 0.15 0.00 -0.00 0.00 0.00 29.99 28.12 2x6i n HIS 691 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2x6i s GLU 692 N -0.40 1.08 0.03 -0.41 0.41 -1.26 -1.50 118.70 116.64 2x6i s GLU 692 Ca 0.74 0.73 0.01 0.00 -0.41 0.00 0.00 54.97 56.04 2x6i s GLU 692 Cb -0.90 -1.80 -0.02 0.00 -1.78 0.00 0.00 34.13 29.64 2x6i s GLU 692 CO 0.53 -2.34 -0.05 -0.47 -0.49 0.00 0.00 175.26 172.44 2x6i s TYR 693 N -2.95 0.43 0.26 1.61 6.14 -0.65 -4.76 117.35 117.42 2x6i s TYR 693 Ca 0.64 -0.45 0.12 0.00 0.64 0.00 0.00 57.07 58.02 2x6i s TYR 693 Cb -0.18 -0.27 -0.05 0.00 0.42 0.00 0.00 41.96 41.88 2x6i s TYR 693 CO 0.57 -0.12 -0.21 0.00 0.64 0.00 0.00 175.55 176.43 2x6i s ALA 694 N -1.23 2.68 0.26 3.97 0.00 -1.26 -0.89 121.76 125.29 2x6i s ALA 694 Ca -0.11 -1.81 0.02 0.00 0.00 0.00 0.00 51.96 50.06 2x6i s ALA 694 Cb -0.09 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 2x6i s ALA 694 CO -0.00 0.32 0.07 0.00 0.00 0.00 0.00 175.76 176.14 2x6i s ALA 695 N -2.28 1.86 0.51 0.00 0.00 -0.88 -3.37 121.76 117.60 2x6i s ALA 695 Ca 0.27 -1.88 -0.00 0.00 0.00 0.00 0.00 51.96 50.35 2x6i s ALA 695 Cb -0.06 0.84 0.01 0.00 0.00 0.00 0.00 23.12 23.92 2x6i s ALA 695 CO 0.13 -0.38 0.74 0.42 0.00 0.00 0.00 175.76 176.67 2x6i s ILE 696 N -3.59 3.47 -0.16 0.00 1.01 0.13 0.21 121.20 122.28 2x6i s ILE 696 Ca 0.35 -0.48 -0.06 0.00 0.00 0.00 0.00 60.65 60.46 2x6i s ILE 696 Cb 0.08 -3.31 0.07 0.00 0.01 0.00 0.00 42.46 39.31 2x6i s ILE 696 CO 0.13 -0.23 0.33 0.12 0.00 0.00 0.00 174.94 175.29 2x6i s PHE 697 N -2.69 -0.57 -0.17 3.97 5.36 -0.95 -1.81 117.98 121.12 2x6i s PHE 697 Ca 0.52 1.18 0.00 0.00 -0.96 0.00 0.00 56.93 57.68 2x6i s PHE 697 Cb -0.10 0.12 0.01 0.00 -0.34 0.00 0.00 43.02 42.70 2x6i s PHE 697 CO 0.39 -0.39 -0.16 0.21 -1.46 0.00 0.00 175.22 173.81 2x6i s LYS 698 N 2.29 3.14 0.04 10.12 2.20 -1.15 -1.65 119.74 134.73 2x6i s LYS 698 Ca -0.02 -0.77 0.23 0.00 -0.36 0.00 0.00 55.97 55.05 2x6i s LYS 698 Cb -0.12 -2.63 0.05 0.00 -1.51 0.00 0.00 37.83 33.62 2x6i s LYS 698 CO -0.10 -0.08 1.03 -2.39 -0.36 0.00 0.00 175.35 173.45 2x6i n HIS 699 N 4.31 0.22 0.70 4.03 -0.00 -1.26 -2.46 115.22 120.76 2x6i n HIS 699 Ca -0.20 0.06 0.09 0.00 -0.00 0.00 0.00 57.72 57.68 2x6i n HIS 699 Cb 0.51 -0.38 -0.12 0.00 -0.00 0.00 0.00 29.99 30.00 2x6i n HIS 699 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2x6i n GLY 700 N 1.39 -0.85 3.53 -1.39 0.00 -1.24 -4.57 105.19 102.06 2x6i n GLY 700 Ca 0.02 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 2x6i n GLY 700 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2x6i s ASP 701 N -3.16 2.94 -0.20 1.61 2.15 -1.26 -4.97 116.67 113.77 2x6i s ASP 701 Ca 0.04 -1.49 -0.10 0.00 0.43 0.00 0.00 52.55 51.43 2x6i s ASP 701 Cb 0.14 0.10 -0.05 0.00 -0.30 0.00 0.00 42.92 42.81 2x6i s ASP 701 CO 0.80 -0.70 0.12 -0.62 -0.17 0.00 0.00 175.17 174.60 2x6i s ASP 702 N -3.60 6.09 0.00 -0.34 3.68 -1.26 -2.41 116.67 118.83 2x6i s ASP 702 Ca 0.29 0.19 0.25 0.00 2.13 0.00 0.00 52.55 55.41 2x6i s ASP 702 Cb 0.06 -2.07 0.46 0.00 -1.45 0.00 0.00 42.92 39.93 2x6i s ASP 702 CO 0.14 0.16 1.39 0.18 0.13 0.00 0.00 175.17 177.17 2x6i n LEU 703 N 3.63 1.74 -0.27 -1.34 4.77 -1.26 -4.43 117.00 119.85 2x6i n LEU 703 Ca -0.16 -0.58 0.22 0.00 -0.03 0.00 0.00 56.01 55.46 2x6i n LEU 703 Cb 0.52 -0.04 0.55 0.00 -2.33 0.00 0.00 43.42 42.12 2x6i n LEU 703 CO 0.36 0.31 1.23 0.03 -1.33 0.00 0.00 177.39 178.00 2x6i h ARG 704 N 2.34 0.33 -0.01 3.23 3.08 -1.95 0.53 114.38 121.92 2x6i h ARG 704 Ca 0.00 -0.02 -0.21 0.00 0.07 0.00 0.00 59.98 59.82 2x6i h ARG 704 Cb 0.66 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 2x6i h ARG 704 CO 0.00 0.22 -0.88 0.37 -1.07 0.00 0.00 179.97 178.61 2x6i h GLN 705 N 0.34 0.34 -0.06 0.04 4.15 -1.91 -2.98 115.11 115.02 2x6i h GLN 705 Ca 0.51 -0.35 -0.16 0.00 0.77 0.00 0.00 58.65 59.42 2x6i h GLN 705 Cb 1.40 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 29.17 2x6i h GLN 705 CO -0.18 1.03 -0.66 -0.44 -1.93 0.00 0.00 178.83 176.64 2x6i h ASP 706 N 0.20 0.31 0.09 -0.69 5.19 -0.28 -2.61 116.42 118.64 2x6i h ASP 706 Ca -0.06 -0.19 -0.15 0.00 -0.62 0.00 0.00 57.03 56.01 2x6i h ASP 706 Cb 1.50 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.91 2x6i h ASP 706 CO 0.15 0.89 -0.52 0.06 -3.12 0.00 0.00 179.24 176.69 2x6i h GLN 707 N 0.19 0.47 -0.75 3.56 3.07 -1.04 -1.92 115.11 118.68 2x6i h GLN 707 Ca -0.02 -0.28 -0.04 0.00 0.09 0.00 0.00 58.65 58.40 2x6i h GLN 707 Cb 1.20 0.03 -0.03 0.00 0.08 0.00 0.00 27.48 28.75 2x6i h GLN 707 CO 0.11 0.88 0.30 1.25 0.09 0.00 0.00 178.83 181.46 2x6i h LEU 708 N 0.37 1.04 -0.42 0.06 6.46 -1.33 0.50 115.31 121.99 2x6i h LEU 708 Ca 0.01 -0.17 -0.18 0.00 -0.12 0.00 0.00 57.88 57.42 2x6i h LEU 708 Cb 1.04 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.69 2x6i h LEU 708 CO 0.09 0.92 -0.76 0.40 -0.62 0.00 0.00 178.44 178.48 2x6i h ILE 709 N 1.08 1.42 -0.07 4.05 1.08 -1.25 -1.31 117.51 122.52 2x6i h ILE 709 Ca 0.25 -2.27 -0.19 0.00 -0.39 0.00 0.00 64.86 62.26 2x6i h ILE 709 Cb 0.21 2.22 -0.00 0.00 -3.07 0.00 0.00 36.82 36.17 2x6i h ILE 709 CO -0.02 0.67 -0.75 -0.07 -0.69 0.00 0.00 178.15 177.29 2x6i h LEU 710 N 0.19 0.50 -0.75 1.44 3.38 -0.82 0.18 115.31 119.42 2x6i h LEU 710 Ca -0.03 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.64 2x6i h LEU 710 Cb 1.33 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.89 2x6i h LEU 710 CO 0.12 1.08 0.47 -0.61 0.09 0.00 0.00 178.44 179.60 2x6i h GLN 711 N 0.28 0.89 -0.60 1.13 4.15 -0.71 0.42 115.11 120.67 2x6i h GLN 711 Ca -0.04 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.28 2x6i h GLN 711 Cb 1.34 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 28.80 2x6i h GLN 711 CO 0.13 0.59 0.19 0.52 -1.93 0.00 0.00 178.83 178.33 2x6i h MET 712 N 0.92 0.93 -0.18 1.69 2.86 -0.03 0.11 114.93 121.23 2x6i h MET 712 Ca 0.30 -0.20 -0.19 0.00 -2.06 0.00 0.00 59.70 57.56 2x6i h MET 712 Cb 0.03 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.56 2x6i h MET 712 CO -0.12 0.83 -0.65 0.82 1.06 0.00 0.00 176.91 178.86 2x6i h ILE 713 N 0.85 1.31 -0.62 -1.22 2.04 -0.40 -2.54 117.51 116.93 2x6i h ILE 713 Ca 0.19 -1.90 -0.03 0.00 1.00 0.00 0.00 64.86 64.12 2x6i h ILE 713 Cb 0.28 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 2x6i h ILE 713 CO -0.01 0.60 0.25 0.74 0.00 0.00 0.00 178.15 179.73 2x6i h THR 714 N 0.47 1.23 -0.20 -0.27 2.02 0.15 -1.95 112.91 114.36 2x6i h THR 714 Ca -0.01 -0.72 -0.19 0.00 0.77 0.00 0.00 66.41 66.26 2x6i h THR 714 Cb 1.23 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 2x6i h THR 714 CO 0.13 0.28 -0.63 0.25 0.37 0.00 0.00 175.52 175.92 2x6i h LEU 715 N 0.87 0.81 -0.89 2.58 6.46 -0.84 -2.64 115.31 121.66 2x6i h LEU 715 Ca 0.21 -0.47 -0.11 0.00 -0.12 0.00 0.00 57.88 57.39 2x6i h LEU 715 Cb 0.20 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.88 2x6i h LEU 715 CO -0.02 1.24 -0.42 0.24 -0.62 0.00 0.00 178.44 178.86 2x6i h MET 716 N 0.53 0.28 -0.34 1.25 2.86 -0.99 -1.07 114.93 117.45 2x6i h MET 716 Ca -0.01 -0.14 -0.16 0.00 -2.06 0.00 0.00 59.70 57.34 2x6i h MET 716 Cb 1.22 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.87 2x6i h MET 716 CO 0.13 0.66 -0.41 0.22 1.06 0.00 0.00 176.91 178.57 2x6i h ASP 717 N 0.24 0.90 -0.75 1.22 3.58 -1.12 -2.37 116.42 118.12 2x6i h ASP 717 Ca 0.02 -0.42 -0.06 0.00 0.42 0.00 0.00 57.03 56.99 2x6i h ASP 717 Cb 0.85 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.61 2x6i h ASP 717 CO 0.07 1.19 0.24 0.11 -2.88 0.00 0.00 179.24 177.98 2x6i h LYS 718 N 0.68 1.16 -0.54 0.28 1.57 -0.89 -0.62 116.57 118.22 2x6i h LYS 718 Ca 0.05 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.53 2x6i h LYS 718 Cb 0.99 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 2x6i h LYS 718 CO 0.09 0.98 0.09 -0.07 -0.57 0.00 0.00 179.45 179.97 2x6i h LEU 719 N 1.11 0.80 0.03 2.94 3.38 -0.93 -0.92 115.31 121.71 2x6i h LEU 719 Ca 0.24 -0.16 -0.25 0.00 0.09 0.00 0.00 57.88 57.80 2x6i h LEU 719 Cb 0.29 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2x6i h LEU 719 CO -0.01 0.81 -1.26 -0.07 0.09 0.00 0.00 178.44 178.00 2x6i h LEU 720 N 0.81 0.09 -0.80 1.67 3.38 -0.99 -2.91 115.31 116.56 2x6i h LEU 720 Ca 0.17 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 2x6i h LEU 720 Cb 0.36 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2x6i h LEU 720 CO 0.01 1.10 -0.58 0.03 0.09 0.00 0.00 178.44 179.09 2x6i h ARG 721 N 0.02 0.07 -0.36 1.13 3.08 -0.62 0.33 114.38 118.03 2x6i h ARG 721 Ca -0.12 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 59.80 2x6i h ARG 721 Cb 1.88 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.92 2x6i h ARG 721 CO 0.13 0.63 -0.16 0.00 -1.07 0.00 0.00 179.97 179.50 2x6i h ARG 722 N 0.05 0.65 0.00 0.04 3.08 -1.12 -2.31 114.38 114.77 2x6i h ARG 722 Ca -0.00 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 59.83 2x6i h ARG 722 Cb 1.03 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.03 2x6i h ARG 722 CO 0.08 0.77 0.00 0.39 -1.07 0.00 0.00 179.97 180.14 2x6i n GLU 723 N -4.16 0.07 -1.18 0.04 -0.58 -0.47 -4.86 120.64 109.49 2x6i n GLU 723 Ca 0.01 0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2x6i n GLU 723 Cb 0.37 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 2x6i n GLU 723 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2x6i n ASN 724 N -1.47 -2.07 -4.31 1.62 5.15 -0.55 -5.04 115.26 108.59 2x6i n ASN 724 Ca 0.08 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.70 2x6i n ASN 724 Cb 0.31 -0.44 -0.13 0.00 -0.53 0.00 0.00 39.78 38.98 2x6i n ASN 724 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2x6i s LEU 725 N 0.00 3.50 -0.29 1.20 2.01 0.10 -4.98 118.68 120.22 2x6i s LEU 725 Ca 0.00 -0.67 -0.01 0.00 0.01 0.00 0.00 54.13 53.47 2x6i s LEU 725 Cb 0.00 -1.81 0.09 0.00 0.01 0.00 0.00 46.19 44.48 2x6i s LEU 725 CO 0.00 -0.14 0.07 -0.62 1.01 0.00 0.00 176.35 176.67 2x6i s ASP 726 N 1.46 3.89 -0.09 2.29 3.68 -1.26 -2.70 116.67 123.93 2x6i s ASP 726 Ca 0.03 -1.50 -0.09 0.00 2.13 0.00 0.00 52.55 53.12 2x6i s ASP 726 Cb -0.16 -0.92 -0.04 0.00 -1.45 0.00 0.00 42.92 40.34 2x6i s ASP 726 CO -0.00 -0.38 0.21 -0.76 0.13 0.00 0.00 175.17 174.37 2x6i s LEU 727 N 1.58 4.40 -1.45 -1.34 1.43 -1.26 -4.97 118.68 117.07 2x6i s LEU 727 Ca 0.06 0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 53.63 2x6i s LEU 727 Cb -0.18 -2.20 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 2x6i s LEU 727 CO -0.19 0.38 2.59 0.29 0.23 0.00 0.00 176.35 179.65 2x6i n LYS 728 N 2.02 3.15 -2.55 1.70 4.76 -1.26 -4.88 118.16 121.10 2x6i n LYS 728 Ca -0.18 -2.22 -0.34 0.00 -2.87 0.00 0.00 58.31 52.70 2x6i n LYS 728 Cb 0.54 -2.91 -0.04 0.00 -1.84 0.00 0.00 35.03 30.78 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 0.82 3.87 -0.29 -0.35 1.43 -1.26 -4.82 118.68 118.09 2x6i s LEU 729 Ca 0.59 1.93 -0.03 0.00 -1.03 0.00 0.00 54.13 55.59 2x6i s LEU 729 Cb 0.16 -4.54 0.03 0.00 0.03 0.00 0.00 46.19 41.87 2x6i s LEU 729 CO -0.06 -0.76 0.01 0.42 0.23 0.00 0.00 176.35 176.20 2x6i s THR 730 N -1.96 3.24 -0.97 5.49 -4.23 -1.26 -5.03 115.64 110.92 2x6i s THR 730 Ca 0.67 -1.11 -0.07 0.00 -1.18 0.00 0.00 61.69 59.99 2x6i s THR 730 Cb -0.17 -2.75 0.24 0.00 1.34 0.00 0.00 72.50 71.16 2x6i s THR 730 CO 0.20 0.02 0.91 -2.16 -0.54 0.00 0.00 174.62 173.05 2x6i s PRO 731 N 1.34 3.72 0.69 3.99 0.04 -1.26 -4.88 135.00 138.64 2x6i s PRO 731 Ca -0.02 -3.06 -0.15 0.00 0.04 0.00 0.00 61.00 57.81 2x6i s PRO 731 Cb -0.18 -4.30 0.02 0.00 0.04 0.00 0.00 34.50 30.07 2x6i s PRO 731 CO -0.01 -1.25 1.15 1.52 0.04 0.00 0.00 177.00 178.44 2x6i s TYR 732 N -0.96 2.38 -0.01 0.56 1.13 -1.26 -4.93 117.35 114.26 2x6i s TYR 732 Ca 0.27 1.58 -0.27 0.00 -1.41 0.00 0.00 57.07 57.23 2x6i s TYR 732 Cb -0.10 -3.28 -0.04 0.00 -1.10 0.00 0.00 41.96 37.44 2x6i s TYR 732 CO -0.09 -2.05 0.87 0.15 -2.51 0.00 0.00 175.55 171.92 2x6i s LYS 733 N -4.05 4.53 0.16 -3.49 1.02 -1.26 -4.91 119.74 111.74 2x6i s LYS 733 Ca 0.70 1.22 0.07 0.00 0.02 0.00 0.00 55.97 57.98 2x6i s LYS 733 Cb -0.24 -3.44 -0.04 0.00 -0.52 0.00 0.00 37.83 33.59 2x6i s LYS 733 CO 0.43 0.04 -0.01 0.08 -0.92 0.00 0.00 175.35 174.97 2x6i s VAL 734 N 0.77 3.71 0.07 3.17 1.01 -1.26 -0.89 120.40 126.97 2x6i s VAL 734 Ca 0.46 -1.38 0.03 0.00 0.00 0.00 0.00 61.98 61.09 2x6i s VAL 734 Cb -0.20 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 2x6i s VAL 734 CO 0.25 -0.07 -0.09 -0.22 0.00 0.00 0.00 175.10 174.96 2x6i s LEU 735 N -2.83 2.33 -0.08 3.92 2.96 -1.07 -4.95 118.68 118.94 2x6i s LEU 735 Ca 0.27 -0.68 -0.06 0.00 -0.22 0.00 0.00 54.13 53.44 2x6i s LEU 735 Cb -0.10 -0.25 -0.04 0.00 0.50 0.00 0.00 46.19 46.31 2x6i s LEU 735 CO 0.18 -0.23 0.16 0.00 -1.32 0.00 0.00 176.35 175.14 2x6i s ALA 736 N -1.89 3.90 1.13 5.97 0.00 -1.26 -1.67 121.76 127.94 2x6i s ALA 736 Ca -0.02 -0.68 -0.17 0.00 0.00 0.00 0.00 51.96 51.09 2x6i s ALA 736 Cb -0.06 -1.95 0.25 0.00 0.00 0.00 0.00 23.12 21.36 2x6i s ALA 736 CO -0.00 0.66 1.12 0.99 0.00 0.00 0.00 175.76 178.53 2x6i s THR 737 N -1.13 1.75 -0.08 0.00 2.01 -1.20 -4.86 115.64 112.13 2x6i s THR 737 Ca 0.19 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 62.11 2x6i s THR 737 Cb -0.12 -2.53 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 2x6i s THR 737 CO 0.09 0.00 0.29 -1.54 -0.69 0.00 0.00 174.62 172.77 2x6i n SER 738 N -4.52 0.18 -4.11 3.53 3.41 -1.26 -4.57 113.62 106.28 2x6i n SER 738 Ca 0.11 0.17 -0.40 0.00 -0.26 0.00 0.00 58.87 58.49 2x6i n SER 738 Cb 0.59 -0.15 -0.00 0.00 -0.26 0.00 0.00 64.21 64.39 2x6i n SER 738 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2x6i n SER 739 N 0.83 -2.76 0.00 4.04 3.41 -1.26 -2.36 113.62 115.52 2x6i n SER 739 Ca 0.06 0.77 0.00 0.00 -0.26 0.00 0.00 58.87 59.45 2x6i n SER 739 Cb -0.01 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 2x6i n SER 739 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2x6i n LYS 740 N 1.28 0.00 -4.36 4.33 2.85 -1.01 -4.98 118.16 116.26 2x6i n LYS 740 Ca 0.11 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.13 2x6i n LYS 740 Cb 0.38 -0.79 -0.08 0.00 -0.65 0.00 0.00 35.03 33.89 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 -1.18 2.53 0.33 5.58 -3.43 -1.00 -3.67 115.29 114.46 2x6i s HIS 741 Ca 0.00 -0.26 -0.11 0.00 -0.80 0.00 0.00 55.06 53.89 2x6i s HIS 741 Cb 0.00 -1.11 0.04 0.00 -1.43 0.00 0.00 32.58 30.08 2x6i s HIS 741 CO 0.00 0.66 0.63 0.41 -2.00 0.00 0.00 174.74 174.44 2x6i n GLY 742 N -0.76 1.32 3.71 -1.38 0.00 -1.03 -3.24 105.19 103.80 2x6i n GLY 742 Ca -0.06 -1.28 -0.23 0.00 0.00 0.00 0.00 46.02 44.45 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 -3.23 2.71 0.02 1.61 0.08 -0.67 -2.93 117.98 115.56 2x6i s PHE 743 Ca 0.15 -0.34 0.01 0.00 0.12 0.00 0.00 56.93 56.87 2x6i s PHE 743 Cb -0.04 -1.51 -0.01 0.00 -0.57 0.00 0.00 43.02 40.89 2x6i s PHE 743 CO 0.11 0.42 -0.04 -0.51 -0.10 0.00 0.00 175.22 175.11 2x6i s LEU 744 N -3.80 2.15 0.56 -0.37 1.43 -0.75 -2.61 118.68 115.30 2x6i s LEU 744 Ca 0.36 -0.33 -0.20 0.00 -1.03 0.00 0.00 54.13 52.92 2x6i s LEU 744 Cb -0.03 -0.05 -0.04 0.00 0.03 0.00 0.00 46.19 46.09 2x6i s LEU 744 CO 0.22 -0.15 1.27 -1.58 0.23 0.00 0.00 176.35 176.34 2x6i s GLN 745 N -0.93 3.10 -0.18 1.70 0.74 -0.07 0.19 119.66 124.21 2x6i s GLN 745 Ca -0.08 2.02 -0.04 0.00 0.05 0.00 0.00 55.36 57.30 2x6i s GLN 745 Cb -0.06 -2.12 -0.03 0.00 1.10 0.00 0.00 33.01 31.90 2x6i s GLN 745 CO -0.00 -1.16 -0.02 -0.47 -0.55 0.00 0.00 175.29 173.09 2x6i s TYR 746 N -1.44 3.04 -0.13 1.67 5.04 -1.22 -4.63 117.35 119.69 2x6i s TYR 746 Ca 0.74 -0.35 -0.03 0.00 -2.44 0.00 0.00 57.07 54.99 2x6i s TYR 746 Cb -0.35 -2.02 -0.03 0.00 0.35 0.00 0.00 41.96 39.91 2x6i s TYR 746 CO 0.40 -0.11 -0.02 0.14 -1.34 0.00 0.00 175.55 174.61 2x6i s VAL 747 N 0.63 4.05 -0.03 3.14 -7.23 -1.26 -4.86 120.40 114.84 2x6i s VAL 747 Ca -0.01 -0.32 -0.30 0.00 -1.81 0.00 0.00 61.98 59.54 2x6i s VAL 747 Cb -0.14 -2.75 -0.05 0.00 0.56 0.00 0.00 36.38 34.00 2x6i s VAL 747 CO 0.02 0.52 1.40 -0.62 -0.31 0.00 0.00 175.10 176.12 2x6i s ASP 748 N -0.01 6.85 0.32 4.85 2.15 -1.26 -4.88 116.67 124.68 2x6i s ASP 748 Ca 0.02 2.07 -0.16 0.00 0.43 0.00 0.00 52.55 54.90 2x6i s ASP 748 Cb -0.13 -2.55 0.06 0.00 -0.30 0.00 0.00 42.92 40.00 2x6i s ASP 748 CO 0.02 -0.74 0.84 -1.54 -0.17 0.00 0.00 175.17 173.58 2x6i n SER 749 N 5.69 -2.05 -3.80 -0.34 3.41 -1.26 -4.72 113.62 110.56 2x6i n SER 749 Ca 0.14 -2.32 -0.14 0.00 -0.26 0.00 0.00 58.87 56.28 2x6i n SER 749 Cb 0.44 3.38 -0.15 0.00 -0.26 0.00 0.00 64.21 67.62 2x6i n SER 749 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2x6i s THR 751 N 0.75 2.02 0.22 0.00 -1.32 -1.26 -0.12 115.64 115.93 2x6i s THR 751 Ca -0.06 0.02 -0.08 0.00 -1.21 0.00 0.00 61.69 60.36 2x6i s THR 751 Cb -0.09 -3.01 0.17 0.00 -1.51 0.00 0.00 72.50 68.06 2x6i s THR 751 CO -0.02 0.00 1.80 0.58 -2.21 0.00 0.00 174.62 174.77 2x6i h VAL 752 N 1.97 0.94 -0.46 5.08 2.07 -1.20 -1.66 116.25 122.98 2x6i h VAL 752 Ca -0.51 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 2x6i h VAL 752 Cb 1.28 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 2x6i h VAL 752 CO 0.60 0.13 0.15 0.00 0.02 0.00 0.00 177.57 178.46 2x6i h ALA 753 N 1.39 1.40 -0.42 1.67 0.00 -1.81 -0.26 119.26 121.23 2x6i h ALA 753 Ca 0.33 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2x6i h ALA 753 Cb 0.25 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2x6i h ALA 753 CO -0.21 0.45 0.19 0.93 0.00 0.00 0.00 179.25 180.60 2x6i h GLU 754 N 0.67 0.61 -0.83 0.00 5.08 -1.62 -1.01 114.58 117.48 2x6i h GLU 754 Ca 0.16 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2x6i h GLU 754 Cb 0.19 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 2x6i h GLU 754 CO -0.01 0.55 0.44 0.28 -1.00 0.00 0.00 179.01 179.27 2x6i h VAL 755 N 0.53 1.24 -0.00 3.13 2.07 -0.66 -0.56 116.25 122.01 2x6i h VAL 755 Ca 0.14 -0.62 -0.22 0.00 0.82 0.00 0.00 66.70 66.82 2x6i h VAL 755 Cb 0.15 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 2x6i h VAL 755 CO -0.02 0.28 -0.92 -0.07 0.02 0.00 0.00 177.57 176.87 2x6i h LEU 756 N 1.16 0.46 -0.28 2.57 3.38 -0.75 -0.07 115.31 121.79 2x6i h LEU 756 Ca 0.29 -0.37 -0.20 0.00 0.09 0.00 0.00 57.88 57.69 2x6i h LEU 756 Cb 0.04 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2x6i h LEU 756 CO -0.05 1.17 -0.84 0.00 0.09 0.00 0.00 178.44 178.81 2x6i h ALA 757 N 0.80 0.48 0.00 1.53 0.00 -0.70 -3.30 119.26 118.07 2x6i h ALA 757 Ca -0.07 -0.67 -0.16 0.00 0.00 0.00 0.00 54.91 54.01 2x6i h ALA 757 Cb 1.55 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 2x6i h ALA 757 CO 0.15 0.80 -1.46 -2.13 0.00 0.00 0.00 179.25 176.62 2x6i n ARG 758 N -3.78 0.62 -3.74 0.00 0.63 -0.26 -4.77 116.66 105.36 2x6i n ARG 758 Ca -0.05 0.20 -0.15 0.00 -0.92 0.00 0.00 57.85 56.92 2x6i n ARG 758 Cb 0.78 -1.79 -0.16 0.00 0.45 0.00 0.00 32.46 31.74 2x6i n ARG 758 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2x6i s GLU 759 N -2.94 0.01 0.30 -0.14 2.56 -0.05 -5.07 118.70 113.37 2x6i s GLU 759 Ca -0.03 0.32 -0.03 0.00 0.00 0.00 0.00 54.97 55.23 2x6i s GLU 759 Cb 0.09 -0.26 0.62 0.00 2.00 0.00 0.00 34.13 36.57 2x6i s GLU 759 CO 0.81 -0.20 1.56 0.78 -0.56 0.00 0.00 175.26 177.66 2x6i h GLY 760 N 7.54 0.99 -2.71 -1.50 0.00 -1.80 -3.33 103.07 102.27 2x6i h GLY 760 Ca -0.37 0.24 -0.12 0.00 0.00 0.00 0.00 47.33 47.08 2x6i h GLY 760 CO 0.38 -0.45 -0.37 0.54 0.00 0.00 0.00 176.54 176.63 2x6i s ASN 761 N -5.13 0.08 0.28 0.19 2.20 -1.26 -4.76 114.94 106.53 2x6i s ASN 761 Ca -0.14 -0.96 0.01 0.00 -0.94 0.00 0.00 52.86 50.83 2x6i s ASN 761 Cb 0.28 0.42 0.59 0.00 -2.00 0.00 0.00 41.25 40.54 2x6i s ASN 761 CO 0.78 -0.89 1.80 0.40 -2.94 0.00 0.00 177.10 176.25 2x6i h ILE 762 N 2.57 0.81 -0.83 0.54 2.04 -1.84 -2.32 117.51 118.48 2x6i h ILE 762 Ca -0.32 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.27 2x6i h ILE 762 Cb 1.23 -0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 2x6i h ILE 762 CO 0.49 0.15 0.55 0.45 0.00 0.00 0.00 178.15 179.79 2x6i h HIS 763 N 0.82 1.04 -0.32 1.37 3.86 -1.93 -1.20 115.15 118.80 2x6i h HIS 763 Ca 0.50 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.70 2x6i h HIS 763 Cb 0.63 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 28.73 2x6i h HIS 763 CO -0.03 0.66 0.03 -0.91 0.86 0.00 0.00 177.93 178.54 2x6i h ASN 764 N 1.12 0.43 -0.03 2.45 2.35 -1.79 -1.04 115.58 119.07 2x6i h ASN 764 Ca 0.30 -0.07 -0.21 0.00 -0.55 0.00 0.00 56.30 55.78 2x6i h ASN 764 Cb -0.13 -0.11 0.02 0.00 0.05 0.00 0.00 38.32 38.15 2x6i h ASN 764 CO -0.07 0.48 -0.79 0.15 -1.65 0.00 0.00 177.43 175.56 2x6i h PHE 765 N 0.46 0.85 -0.28 1.19 3.57 -1.21 -0.98 116.94 120.55 2x6i h PHE 765 Ca 0.10 -0.44 -0.17 0.00 3.53 0.00 0.00 57.97 61.00 2x6i h PHE 765 Cb 0.25 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 2x6i h PHE 765 CO 0.01 1.27 -0.50 0.74 -2.23 0.00 0.00 178.31 177.60 2x6i h PHE 766 N 0.20 0.94 -0.07 0.41 0.04 -1.33 -2.64 116.94 114.50 2x6i h PHE 766 Ca -0.09 -0.32 -0.06 0.00 2.80 0.00 0.00 57.97 60.31 2x6i h PHE 766 Cb 1.46 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 39.41 2x6i h PHE 766 CO 0.12 1.10 -0.23 -0.09 -0.60 0.00 0.00 178.31 178.61 2x6i h ARG 767 N 0.60 0.11 -0.09 1.51 2.43 -1.08 0.48 114.38 118.34 2x6i h ARG 767 Ca 0.03 -0.03 -0.20 0.00 -0.81 0.00 0.00 59.98 58.96 2x6i h ARG 767 Cb 1.07 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2x6i h ARG 767 CO 0.11 0.34 -0.77 -0.22 -1.51 0.00 0.00 179.97 177.92 2x6i h LYS 768 N 0.11 0.53 0.00 0.20 3.64 -0.82 -2.99 116.57 117.24 2x6i h LYS 768 Ca 0.02 -0.45 -0.25 0.00 -1.27 0.00 0.00 60.65 58.70 2x6i h LYS 768 Cb 0.47 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 2x6i h LYS 768 CO 0.03 1.08 -1.53 0.45 -2.27 0.00 0.00 179.45 177.21 2x6i h HIS 769 N 0.36 0.00 -1.37 1.91 3.86 -0.88 -3.41 115.15 115.62 2x6i h HIS 769 Ca -0.04 0.00 -0.40 0.00 -1.16 0.00 0.00 60.37 58.76 2x6i h HIS 769 Cb 1.37 0.00 -0.39 0.00 1.06 0.00 0.00 27.41 29.44 2x6i h HIS 769 CO 0.06 0.90 -1.18 0.72 0.86 0.00 0.00 177.93 179.29 2x6i n HIS 770 N -3.05 0.66 -2.84 2.45 8.25 0.15 -5.11 115.22 115.74 2x6i n HIS 770 Ca -0.13 -3.17 -0.41 0.00 -0.26 0.00 0.00 57.72 53.75 2x6i n HIS 770 Cb 0.99 -0.34 -0.05 0.00 1.12 0.00 0.00 29.99 31.71 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 -2.76 4.61 -0.26 -0.41 0.04 -1.13 -1.02 135.00 134.08 2x6i s PRO 771 Ca 0.32 1.29 -0.04 0.00 0.04 0.00 0.00 61.00 62.61 2x6i s PRO 771 Cb 0.41 -3.37 0.09 0.00 0.04 0.00 0.00 34.50 31.68 2x6i s PRO 771 CO -0.01 0.24 0.15 0.00 0.04 0.00 0.00 177.00 177.42 2x6i n ASP 773 N 5.27 0.22 0.12 0.00 8.00 -1.26 -3.15 116.55 125.75 2x6i n ASP 773 Ca -0.06 1.16 -0.08 0.00 0.71 0.00 0.00 54.79 56.52 2x6i n ASP 773 Cb 0.45 -0.55 -0.04 0.00 -0.02 0.00 0.00 41.12 40.95 2x6i n ASP 773 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 2x6i h ASN 774 N 0.00 -0.34 -5.42 -2.24 2.35 -1.95 -3.34 115.58 104.65 2x6i h ASN 774 Ca 0.58 -0.07 -0.19 0.00 -0.55 0.00 0.00 56.30 56.07 2x6i h ASN 774 Cb 1.52 0.09 -0.09 0.00 0.05 0.00 0.00 38.32 39.88 2x6i h ASN 774 CO -0.54 0.14 -0.20 -0.83 -1.65 0.00 0.00 177.43 174.34 2x6i s GLY 775 N -3.10 1.12 0.03 2.83 0.00 -1.19 -4.55 107.32 102.46 2x6i s GLY 775 Ca -0.08 -1.29 -0.16 0.00 0.00 0.00 0.00 44.72 43.19 2x6i s GLY 775 CO 0.26 -0.89 1.06 -0.56 0.00 0.00 0.00 173.10 172.97 2x6i h PRO 776 N 2.21 0.56 -0.80 2.90 0.13 -1.78 -3.10 132.00 132.13 2x6i h PRO 776 Ca -0.28 -0.78 -0.53 0.00 -0.87 0.00 0.00 66.00 63.54 2x6i h PRO 776 Cb 1.24 0.26 -0.30 0.00 0.13 0.00 0.00 31.00 32.34 2x6i h PRO 776 CO 0.39 1.35 0.16 0.66 -0.23 0.00 0.00 178.00 180.33 2x6i n TYR 777 N -3.86 2.66 -1.06 1.56 4.02 -1.26 -4.75 117.16 114.46 2x6i n TYR 777 Ca -0.14 -2.40 -0.02 0.00 -0.01 0.00 0.00 57.90 55.33 2x6i n TYR 777 Cb 0.96 -0.88 -0.01 0.00 -0.02 0.00 0.00 39.34 39.38 2x6i n TYR 777 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2x6i n GLY 778 N -0.92 0.33 3.55 2.72 0.00 -1.23 -4.97 105.19 104.66 2x6i n GLY 778 Ca 0.51 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.43 4.87 -0.09 -0.61 1.01 -1.17 0.33 121.20 124.12 2x6i s ILE 779 Ca 0.00 0.02 -0.32 0.00 0.00 0.00 0.00 60.65 60.35 2x6i s ILE 779 Cb 0.00 -3.28 -0.15 0.00 0.01 0.00 0.00 42.46 39.03 2x6i s ILE 779 CO 0.00 0.32 0.91 -0.24 0.00 0.00 0.00 174.94 175.93 2x6i n SER 780 N 4.74 0.21 -0.32 3.58 2.88 -0.18 -2.57 113.62 121.95 2x6i n SER 780 Ca -0.15 0.89 0.06 0.00 -1.33 0.00 0.00 58.87 58.34 2x6i n SER 780 Cb 0.52 -0.70 0.22 0.00 -0.75 0.00 0.00 64.21 63.50 2x6i n SER 780 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2x6i h ALA 781 N 2.65 1.33 -0.62 -1.46 0.00 -1.92 -2.20 119.26 117.05 2x6i h ALA 781 Ca -0.38 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 2x6i h ALA 781 Cb 1.09 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2x6i h ALA 781 CO 0.56 0.05 0.16 0.93 0.00 0.00 0.00 179.25 180.95 2x6i h GLU 782 N 0.78 0.98 -0.74 0.00 3.07 -1.97 -2.28 114.58 114.43 2x6i h GLU 782 Ca 0.46 -0.23 -0.03 0.00 -0.50 0.00 0.00 59.36 59.06 2x6i h GLU 782 Cb 0.54 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.28 2x6i h GLU 782 CO -0.30 0.89 0.35 0.28 -1.40 0.00 0.00 179.01 178.83 2x6i h VAL 783 N 0.90 1.24 -0.44 3.13 2.07 -1.63 0.31 116.25 121.83 2x6i h VAL 783 Ca 0.20 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 2x6i h VAL 783 Cb 0.34 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 2x6i h VAL 783 CO -0.00 0.28 0.13 0.24 0.02 0.00 0.00 177.57 178.25 2x6i h MET 784 N 1.04 0.69 -0.36 1.57 2.86 -1.42 -1.43 114.93 117.88 2x6i h MET 784 Ca 0.25 -0.15 -0.10 0.00 -2.06 0.00 0.00 59.70 57.65 2x6i h MET 784 Cb 0.12 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 2x6i h MET 784 CO -0.03 0.67 -0.18 0.22 1.06 0.00 0.00 176.91 178.65 2x6i h ASP 785 N 0.58 0.66 0.81 1.22 1.82 -0.02 0.82 116.42 122.31 2x6i h ASP 785 Ca 0.14 -0.21 -0.12 0.00 -0.39 0.00 0.00 57.03 56.45 2x6i h ASP 785 Cb 0.27 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.08 2x6i h ASP 785 CO -0.00 0.85 -0.56 0.71 -1.61 0.00 0.00 179.24 178.63 2x6i h THR 786 N 0.59 1.22 -0.15 2.25 1.35 -0.03 -1.48 112.91 116.67 2x6i h THR 786 Ca 0.09 -2.04 -0.20 0.00 -0.55 0.00 0.00 66.41 63.71 2x6i h THR 786 Cb 0.64 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 2x6i h THR 786 CO 0.05 0.55 -0.73 0.22 -0.25 0.00 0.00 175.52 175.36 2x6i h TYR 787 N 0.00 0.91 -0.77 4.73 3.20 0.14 -1.95 116.97 123.22 2x6i h TYR 787 Ca -0.01 -0.39 -0.06 0.00 3.14 0.00 0.00 58.73 61.42 2x6i h TYR 787 Cb 1.11 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.20 2x6i h TYR 787 CO 0.00 1.19 0.26 0.82 -1.64 0.00 0.00 178.16 178.80 2x6i h ILE 788 N 0.48 1.26 -0.13 1.81 5.03 -0.59 -1.83 117.51 123.54 2x6i h ILE 788 Ca -0.04 -0.89 -0.22 0.00 -0.12 0.00 0.00 64.86 63.60 2x6i h ILE 788 Cb 1.33 0.39 0.01 0.00 -3.03 0.00 0.00 36.82 35.52 2x6i h ILE 788 CO 0.14 0.35 -0.79 0.11 -0.68 0.00 0.00 178.15 177.28 2x6i h LYS 789 N 1.14 0.73 -0.32 2.37 1.57 -1.13 -2.14 116.57 118.79 2x6i h LYS 789 Ca 0.25 -0.61 -0.08 0.00 -1.87 0.00 0.00 60.65 58.35 2x6i h LYS 789 Cb 0.28 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 2x6i h LYS 789 CO -0.01 1.22 -0.13 0.77 -0.57 0.00 0.00 179.45 180.73 2x6i h SER 790 N 0.49 0.53 -0.25 0.86 0.02 -1.00 -0.90 113.55 113.30 2x6i h SER 790 Ca -0.06 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 60.68 2x6i h SER 790 Cb 1.42 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 2x6i h SER 790 CO 0.16 0.69 -0.11 0.00 -1.14 0.00 0.00 176.83 176.43 2x6i h ALA 792 N 0.73 0.89 -0.38 0.00 0.00 -0.59 -1.59 119.26 118.32 2x6i h ALA 792 Ca 0.06 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2x6i h ALA 792 Cb 0.62 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2x6i h ALA 792 CO 0.04 0.32 0.24 0.78 0.00 0.00 0.00 179.25 180.63 2x6i h GLY 793 N 0.95 0.55 1.92 0.00 0.00 -0.98 -2.33 103.07 103.18 2x6i h GLY 793 Ca 0.26 -0.22 -0.16 0.00 0.00 0.00 0.00 47.33 47.21 2x6i h GLY 793 CO -0.05 0.22 -0.73 -0.97 0.00 0.00 0.00 176.54 175.01 2x6i h TYR 794 N 0.50 0.11 -0.36 5.60 0.05 -0.77 -1.95 116.97 120.15 2x6i h TYR 794 Ca 0.14 -0.05 -0.15 0.00 0.05 0.00 0.00 58.73 58.72 2x6i h TYR 794 Cb -0.01 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 2x6i h TYR 794 CO -0.04 0.77 -0.36 0.00 -1.05 0.00 0.00 178.16 177.48 2x6i h VAL 796 N 0.67 1.35 -0.30 0.00 2.07 -1.47 -1.46 116.25 117.12 2x6i h VAL 796 Ca 0.06 -1.65 -0.11 0.00 0.82 0.00 0.00 66.70 65.82 2x6i h VAL 796 Cb 0.95 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 2x6i h VAL 796 CO 0.09 0.50 -0.26 0.40 0.02 0.00 0.00 177.57 178.32 2x6i h ILE 797 N 0.19 1.27 -0.07 4.57 2.04 -1.17 -1.54 117.51 122.80 2x6i h ILE 797 Ca -0.00 -1.33 -0.15 0.00 1.00 0.00 0.00 64.86 64.38 2x6i h ILE 797 Cb 1.00 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 2x6i h ILE 797 CO 0.08 0.43 -0.62 0.74 0.00 0.00 0.00 178.15 178.79 2x6i h THR 798 N 0.51 1.39 -0.23 -0.27 2.02 -0.56 -2.84 112.91 112.93 2x6i h THR 798 Ca 0.07 -2.01 -0.15 0.00 0.77 0.00 0.00 66.41 65.10 2x6i h THR 798 Cb 0.72 2.02 -0.01 0.00 -1.74 0.00 0.00 68.15 69.14 2x6i h THR 798 CO 0.06 0.59 -0.47 0.22 0.37 0.00 0.00 175.52 176.29 2x6i h TYR 799 N 0.17 0.71 0.00 3.16 3.20 -0.28 0.68 116.97 124.61 2x6i h TYR 799 Ca -0.01 -0.23 -0.14 0.00 3.14 0.00 0.00 58.73 61.49 2x6i h TYR 799 Cb 1.12 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.23 2x6i h TYR 799 CO 0.02 0.94 -0.67 -0.07 -1.64 0.00 0.00 178.16 176.74 2x6i h LEU 800 N 0.47 0.00 -2.08 2.82 3.38 -1.30 -2.65 115.31 115.96 2x6i h LEU 800 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2x6i h LEU 800 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2x6i h LEU 800 CO 0.09 0.67 0.00 0.18 0.09 0.00 0.00 178.44 179.47 2x6i n LEU 801 N -3.34 2.97 -4.24 1.67 4.77 -1.08 -4.70 117.00 113.05 2x6i n LEU 801 Ca 0.01 -1.29 -0.33 0.00 -0.03 0.00 0.00 56.01 54.36 2x6i n LEU 801 Cb 0.78 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.69 2x6i n LEU 801 CO 0.42 0.59 -0.23 0.61 -1.33 0.00 0.00 177.39 177.46 2x6i n GLY 802 N 1.19 -0.29 3.76 -0.72 0.00 0.10 -2.14 105.19 107.09 2x6i n GLY 802 Ca 0.14 0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.75 2.24 0.36 1.61 1.01 -0.40 -0.33 120.40 121.14 2x6i s VAL 803 Ca 0.37 0.20 0.07 0.00 0.00 0.00 0.00 61.98 62.63 2x6i s VAL 803 Cb -0.21 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 2x6i s VAL 803 CO 0.96 0.02 0.26 0.61 0.00 0.00 0.00 175.10 176.95 2x6i n GLY 804 N 0.62 2.95 2.34 4.51 0.00 -0.68 -4.81 105.19 110.12 2x6i n GLY 804 Ca 0.06 -1.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.01 2x6i n GLY 804 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2x6i n ASP 805 N -1.62 -4.38 -4.75 1.61 2.03 -1.26 -4.38 116.55 103.79 2x6i n ASP 805 Ca 0.05 0.26 -0.41 0.00 0.52 0.00 0.00 54.79 55.21 2x6i n ASP 805 Cb 0.62 -3.01 -0.02 0.00 -0.72 0.00 0.00 41.12 37.99 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 -3.19 4.31 0.35 -0.67 1.81 -1.26 -4.97 118.95 115.33 2x6i s ARG 806 Ca 0.00 2.24 -0.14 0.00 -1.72 0.00 0.00 55.73 56.11 2x6i s ARG 806 Cb 0.00 -3.11 0.03 0.00 -0.45 0.00 0.00 34.95 31.42 2x6i s ARG 806 CO 0.00 -0.34 0.69 -3.38 -0.68 0.00 0.00 175.30 171.59 2x6i s HIS 807 N -0.24 0.27 0.56 -0.53 -3.43 -1.26 -5.02 115.29 105.62 2x6i s HIS 807 Ca 0.56 -0.80 0.36 0.00 -0.80 0.00 0.00 55.06 54.39 2x6i s HIS 807 Cb -0.40 0.59 1.51 0.00 -1.43 0.00 0.00 32.58 32.84 2x6i s HIS 807 CO 0.45 -1.38 1.75 -0.07 -2.00 0.00 0.00 174.74 173.49 2x6i h LEU 808 N 2.04 0.00 -0.58 5.38 -0.00 -1.96 0.52 115.31 120.72 2x6i h LEU 808 Ca -0.29 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.50 2x6i h LEU 808 Cb 1.25 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.89 2x6i h LEU 808 CO 0.37 0.00 -0.44 0.44 -0.00 0.00 0.00 178.44 178.80 2x6i h ASP 809 N 0.00 0.00 0.77 -0.43 3.32 -1.96 -2.95 116.42 115.17 2x6i h ASP 809 Ca 0.55 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.41 2x6i h ASP 809 Cb 2.32 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.84 2x6i h ASP 809 CO -0.01 0.44 -1.34 0.78 -1.72 0.00 0.00 179.24 177.40 2x6i h ASN 810 N 0.00 0.00 -2.89 6.45 2.35 -0.31 -3.46 115.58 117.71 2x6i h ASN 810 Ca -0.00 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 55.12 2x6i h ASN 810 Cb 1.10 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.42 2x6i h ASN 810 CO 0.06 0.65 -0.50 -0.76 -1.65 0.00 0.00 177.43 175.22 2x6i s LEU 811 N -5.94 4.32 0.20 1.61 2.01 -1.02 -2.39 118.68 117.47 2x6i s LEU 811 Ca -0.02 0.28 0.04 0.00 0.01 0.00 0.00 54.13 54.44 2x6i s LEU 811 Cb 0.08 -2.80 -0.05 0.00 0.01 0.00 0.00 46.19 43.44 2x6i s LEU 811 CO 0.81 0.20 -0.05 -0.76 1.01 0.00 0.00 176.35 177.56 2x6i s LEU 812 N -2.29 2.34 0.37 1.79 1.43 -0.12 -1.63 118.68 120.58 2x6i s LEU 812 Ca 0.32 -1.14 0.07 0.00 -1.03 0.00 0.00 54.13 52.35 2x6i s LEU 812 Cb -0.13 -0.33 -0.00 0.00 0.03 0.00 0.00 46.19 45.76 2x6i s LEU 812 CO 0.24 -0.42 0.51 -0.76 0.23 0.00 0.00 176.35 176.15 2x6i s LEU 813 N -3.26 3.83 0.33 1.79 2.01 0.83 -0.84 118.68 123.37 2x6i s LEU 813 Ca 0.24 -0.29 0.04 0.00 0.01 0.00 0.00 54.13 54.13 2x6i s LEU 813 Cb 0.04 -2.71 -0.06 0.00 0.01 0.00 0.00 46.19 43.46 2x6i s LEU 813 CO 0.06 -0.58 0.06 0.28 1.01 0.00 0.00 176.35 177.18 2x6i s THR 814 N -2.25 1.24 0.06 5.49 -1.32 -0.71 -0.64 115.64 117.51 2x6i s THR 814 Ca 0.49 -2.00 0.15 0.00 -1.21 0.00 0.00 61.69 59.13 2x6i s THR 814 Cb -0.10 -2.81 0.06 0.00 -1.51 0.00 0.00 72.50 68.14 2x6i s THR 814 CO 0.32 0.00 1.57 0.71 -2.21 0.00 0.00 174.62 175.01 2x6i h THR 815 N 2.09 1.02 0.00 5.08 1.35 -1.90 -1.85 112.91 118.70 2x6i h THR 815 Ca -0.41 -2.04 -0.01 0.00 -0.55 0.00 0.00 66.41 63.40 2x6i h THR 815 Cb 1.24 2.23 -0.00 0.00 -1.73 0.00 0.00 68.15 69.89 2x6i h THR 815 CO 0.70 0.50 -0.06 0.78 -0.25 0.00 0.00 175.52 177.20 2x6i h ASN 816 N 0.00 0.00 0.00 5.36 2.35 -1.96 -3.47 115.58 117.86 2x6i h ASN 816 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2x6i h ASN 816 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 2x6i h ASN 816 CO 0.07 0.06 0.00 0.61 -1.65 0.00 0.00 177.43 176.52 2x6i n GLY 817 N -0.78 1.96 3.86 2.83 0.00 -0.70 -4.53 105.19 107.84 2x6i n GLY 817 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.02 3.86 0.18 1.61 1.02 -1.26 -3.87 119.74 121.26 2x6i s LYS 818 Ca 0.00 0.63 0.03 0.00 0.02 0.00 0.00 55.97 56.65 2x6i s LYS 818 Cb 0.00 -2.33 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 2x6i s LYS 818 CO 0.00 -0.06 0.32 -1.17 -0.92 0.00 0.00 175.35 173.52 2x6i s LEU 819 N -3.75 4.32 0.31 3.17 0.20 -1.26 -1.74 118.68 119.93 2x6i s LEU 819 Ca 0.54 0.18 0.04 0.00 0.69 0.00 0.00 54.13 55.58 2x6i s LEU 819 Cb -0.10 -2.93 -0.03 0.00 -0.43 0.00 0.00 46.19 42.69 2x6i s LEU 819 CO 0.29 0.01 0.20 0.72 -0.29 0.00 0.00 176.35 177.28 2x6i s PHE 820 N -1.82 1.62 0.64 5.38 -0.12 -0.02 -4.76 117.98 118.90 2x6i s PHE 820 Ca 0.35 -1.49 0.04 0.00 -0.05 0.00 0.00 56.93 55.78 2x6i s PHE 820 Cb -0.11 -0.79 0.10 0.00 -0.63 0.00 0.00 43.02 41.60 2x6i s PHE 820 CO 0.29 -0.67 0.89 -1.01 -0.05 0.00 0.00 175.22 174.67 2x6i s HIS 821 N -3.57 1.57 0.16 3.49 3.76 -1.26 -0.95 115.29 118.49 2x6i s HIS 821 Ca 0.37 -0.47 -0.21 0.00 -0.15 0.00 0.00 55.06 54.60 2x6i s HIS 821 Cb 0.04 -2.63 0.06 0.00 1.11 0.00 0.00 32.58 31.16 2x6i s HIS 821 CO 0.21 -1.41 0.56 0.42 -0.85 0.00 0.00 174.74 173.67 2x6i s ILE 822 N -2.90 0.02 -0.84 0.60 1.01 -1.01 -4.88 121.20 113.21 2x6i s ILE 822 Ca 0.64 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 61.03 2x6i s ILE 822 Cb -0.06 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 41.26 2x6i s ILE 822 CO 0.41 -0.07 0.74 -0.67 0.00 0.00 0.00 174.94 175.36 2x6i n ASP 823 N -0.35 -7.19 -4.26 3.58 2.03 -1.26 -4.86 116.55 104.24 2x6i n ASP 823 Ca -0.15 -0.33 -0.43 0.00 0.52 0.00 0.00 54.79 54.39 2x6i n ASP 823 Cb 0.64 -4.90 0.00 0.00 -0.72 0.00 0.00 41.12 36.15 2x6i n ASP 823 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2x6i n PHE 824 N -2.29 4.26 0.08 -0.67 3.72 -1.26 -4.61 117.46 116.69 2x6i n PHE 824 Ca -0.05 -3.15 -0.11 0.00 -0.05 0.00 0.00 57.45 54.09 2x6i n PHE 824 Cb 0.55 -2.11 -0.13 0.00 -0.94 0.00 0.00 39.48 36.85 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 9.11 0.13 -7.07 1.37 0.00 -1.89 -3.42 103.07 101.31 2x6i h GLY 825 Ca 0.35 -0.34 -0.66 0.00 0.00 0.00 0.00 47.33 46.68 2x6i h GLY 825 CO 1.38 0.29 -0.69 -0.19 0.00 0.00 0.00 176.54 177.34 2x6i s TYR 826 N -2.69 3.04 0.06 5.60 2.02 -1.26 -4.91 117.35 119.20 2x6i s TYR 826 Ca -0.01 -0.93 0.07 0.00 -0.37 0.00 0.00 57.07 55.82 2x6i s TYR 826 Cb 0.09 -2.16 -0.03 0.00 -0.40 0.00 0.00 41.96 39.46 2x6i s TYR 826 CO 0.85 -0.54 -0.19 0.42 -1.57 0.00 0.00 175.55 174.51 2x6i s ILE 827 N 1.49 1.52 -1.07 2.71 1.09 -1.26 -1.68 121.20 124.00 2x6i s ILE 827 Ca 0.04 -1.23 -0.05 0.00 -1.10 0.00 0.00 60.65 58.31 2x6i s ILE 827 Cb -0.15 -1.35 -0.05 0.00 -1.06 0.00 0.00 42.46 39.84 2x6i s ILE 827 CO -0.01 0.08 0.93 0.18 -0.10 0.00 0.00 174.94 176.02 2x6i n LEU 828 N 1.66 -5.29 -0.60 2.97 4.77 -0.51 -3.18 117.00 116.82 2x6i n LEU 828 Ca -0.18 -0.69 -0.08 0.00 -0.03 0.00 0.00 56.01 55.04 2x6i n LEU 828 Cb 0.54 -3.18 -0.03 0.00 -2.33 0.00 0.00 43.42 38.42 2x6i n LEU 828 CO 0.23 0.16 -0.07 0.61 -1.33 0.00 0.00 177.39 176.98 2x6i n GLY 829 N -1.21 0.85 3.68 -0.72 0.00 0.55 -4.99 105.19 103.36 2x6i n GLY 829 Ca -0.12 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 2x6i n GLY 829 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2x6i s ARG 830 N -2.42 4.31 0.04 1.61 1.81 -1.19 -5.03 118.95 118.08 2x6i s ARG 830 Ca 0.00 0.79 0.02 0.00 -1.72 0.00 0.00 55.73 54.82 2x6i s ARG 830 Cb 0.00 -3.53 -0.02 0.00 -0.45 0.00 0.00 34.95 30.94 2x6i s ARG 830 CO 0.00 -0.16 -0.08 0.34 -0.68 0.00 0.00 175.30 174.72 2x6i s ASP 831 N 1.05 0.89 0.32 0.23 -1.08 -1.26 -4.34 116.67 112.47 2x6i s ASP 831 Ca 0.34 -0.54 0.13 0.00 -0.52 0.00 0.00 52.55 51.96 2x6i s ASP 831 Cb -0.16 0.03 0.50 0.00 -1.46 0.00 0.00 42.92 41.82 2x6i s ASP 831 CO 0.13 -0.19 1.68 -0.65 0.52 0.00 0.00 175.17 176.66 2x6i h PRO 832 N 4.55 0.00 -7.11 4.34 0.11 -1.97 -3.44 132.00 128.48 2x6i h PRO 832 Ca -0.36 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.28 2x6i h PRO 832 Cb 1.20 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.34 2x6i h PRO 832 CO 0.41 0.52 0.38 0.15 -0.21 0.00 0.00 178.00 179.24 2x6i s LYS 833 N -3.68 3.72 0.30 1.05 -0.14 -1.26 -4.99 119.74 114.74 2x6i s LYS 833 Ca -0.01 1.26 0.04 0.00 -1.36 0.00 0.00 55.97 55.90 2x6i s LYS 833 Cb 0.12 -2.09 0.48 0.00 -1.68 0.00 0.00 37.83 34.67 2x6i s LYS 833 CO 0.73 -0.48 1.76 -1.00 -0.76 0.00 0.00 175.35 175.61 2x6i h PRO 834 N 1.24 0.44 -2.81 -1.68 0.13 -2.04 -3.41 132.00 123.87 2x6i h PRO 834 Ca -0.49 -0.15 -0.56 0.00 -0.87 0.00 0.00 66.00 63.93 2x6i h PRO 834 Cb 1.21 -0.03 -0.40 0.00 0.13 0.00 0.00 31.00 31.91 2x6i h PRO 834 CO 0.59 0.63 -0.80 -1.64 -0.23 0.00 0.00 178.00 176.55 2x6i s MET 835 N -4.56 0.49 0.72 0.86 -1.94 -1.26 -5.09 119.30 108.53 2x6i s MET 835 Ca -0.07 -1.05 -0.13 0.00 -1.71 0.00 0.00 55.69 52.73 2x6i s MET 835 Cb 0.14 -1.42 0.03 0.00 2.01 0.00 0.00 34.83 35.60 2x6i s MET 835 CO 0.78 -1.11 1.12 -2.14 -0.01 0.00 0.00 175.02 173.67 2x6i s PRO 836 N 1.47 2.38 0.53 2.03 0.02 -1.26 -5.03 135.00 135.15 2x6i s PRO 836 Ca 0.14 1.40 -0.20 0.00 0.02 0.00 0.00 61.00 62.36 2x6i s PRO 836 Cb -0.20 -1.90 -0.06 0.00 0.02 0.00 0.00 34.50 32.36 2x6i s PRO 836 CO -0.17 -1.58 1.11 -2.14 -0.33 0.00 0.00 177.00 173.90 2x6i s PRO 837 N -4.34 3.43 0.26 5.54 0.02 -1.26 -5.00 135.00 133.65 2x6i s PRO 837 Ca 0.66 1.57 -0.01 0.00 0.02 0.00 0.00 61.00 63.25 2x6i s PRO 837 Cb -0.21 -2.02 0.35 0.00 0.02 0.00 0.00 34.50 32.64 2x6i s PRO 837 CO 0.48 -0.78 1.75 -1.35 -0.33 0.00 0.00 177.00 176.77 2x6i h PRO 838 N 1.26 0.73 -6.67 5.54 0.11 -1.96 -3.42 132.00 127.59 2x6i h PRO 838 Ca -0.50 -0.21 -0.69 0.00 0.11 0.00 0.00 66.00 64.71 2x6i h PRO 838 Cb 1.26 -0.08 -0.24 0.00 0.11 0.00 0.00 31.00 32.05 2x6i h PRO 838 CO 0.57 0.78 -0.84 1.41 -0.21 0.00 0.00 178.00 179.71 2x6i s MET 839 N -4.89 1.92 -0.64 1.05 1.75 -1.26 -4.86 119.30 112.37 2x6i s MET 839 Ca -0.09 -1.06 -0.07 0.00 -1.25 0.00 0.00 55.69 53.22 2x6i s MET 839 Cb 0.14 -2.08 0.17 0.00 2.84 0.00 0.00 34.83 35.90 2x6i s MET 839 CO 0.81 0.52 0.50 0.15 -0.65 0.00 0.00 175.02 176.35 2x6i s LYS 840 N -1.40 2.82 0.18 4.11 -0.14 -1.26 -4.84 119.74 119.21 2x6i s LYS 840 Ca 0.13 -2.31 0.06 0.00 -1.36 0.00 0.00 55.97 52.49 2x6i s LYS 840 Cb -0.10 -3.97 -0.05 0.00 -1.68 0.00 0.00 37.83 32.03 2x6i s LYS 840 CO 0.04 -1.21 -0.13 -0.51 -0.76 0.00 0.00 175.35 172.78 2x6i s LEU 841 N 0.37 2.54 0.10 3.17 1.43 -1.26 -4.96 118.68 120.07 2x6i s LEU 841 Ca 0.14 -1.01 0.10 0.00 -1.03 0.00 0.00 54.13 52.34 2x6i s LEU 841 Cb -0.19 -0.52 -0.04 0.00 0.03 0.00 0.00 46.19 45.47 2x6i s LEU 841 CO -0.04 -0.24 -0.25 -0.55 0.23 0.00 0.00 176.35 175.49 2x6i s SER 842 N -3.21 3.37 0.31 2.29 0.15 -1.26 -4.96 113.70 110.39 2x6i s SER 842 Ca 0.19 -0.66 0.08 0.00 0.70 0.00 0.00 55.95 56.26 2x6i s SER 842 Cb 0.01 -0.30 0.82 0.00 -1.71 0.00 0.00 66.02 64.84 2x6i s SER 842 CO 0.04 0.21 1.75 0.50 1.20 0.00 0.00 173.24 176.93 2x6i h LYS 843 N 4.16 0.64 -0.40 5.44 3.64 -1.98 0.15 116.57 128.21 2x6i h LYS 843 Ca -0.49 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 58.80 2x6i h LYS 843 Cb 1.16 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.82 2x6i h LYS 843 CO 0.42 0.42 0.05 0.93 -2.27 0.00 0.00 179.45 179.00 2x6i h GLU 844 N 0.66 0.61 0.09 1.90 3.07 -1.96 -1.63 114.58 117.32 2x6i h GLU 844 Ca 0.62 -0.12 -0.28 0.00 -0.50 0.00 0.00 59.36 59.07 2x6i h GLU 844 Cb 1.08 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.89 2x6i h GLU 844 CO -0.44 0.60 -1.40 0.52 -1.40 0.00 0.00 179.01 176.89 2x6i h MET 845 N 0.59 0.19 0.04 2.33 2.86 -1.21 -3.06 114.93 116.67 2x6i h MET 845 Ca 0.13 -0.32 -0.22 0.00 -2.06 0.00 0.00 59.70 57.23 2x6i h MET 845 Cb 0.29 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 2x6i h MET 845 CO 0.00 1.06 -1.01 0.28 1.06 0.00 0.00 176.91 178.30 2x6i h VAL 846 N 0.05 1.53 0.00 -2.22 2.07 -0.54 -2.53 116.25 114.61 2x6i h VAL 846 Ca -0.19 -2.89 -0.06 0.00 0.82 0.00 0.00 66.70 64.38 2x6i h VAL 846 Cb 1.96 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 34.40 2x6i h VAL 846 CO 0.16 0.84 -0.31 -0.33 0.02 0.00 0.00 177.57 177.95 2x6i h GLU 847 N 0.09 0.00 -0.20 1.57 5.08 -1.38 -1.04 114.58 118.70 2x6i h GLU 847 Ca -0.07 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2x6i h GLU 847 Cb 1.70 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.94 2x6i h GLU 847 CO 0.16 0.31 0.14 0.00 -1.00 0.00 0.00 179.01 178.61 2x6i h ALA 848 N 1.69 1.93 0.00 3.43 0.00 -1.34 -0.95 119.26 124.02 2x6i h ALA 848 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2x6i h ALA 848 Cb 0.61 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2x6i h ALA 848 CO 0.04 0.05 -0.69 0.52 0.00 0.00 0.00 179.25 179.17 2x6i h MET 849 N 0.21 0.00 0.00 0.00 2.86 -1.20 -3.47 114.93 113.33 2x6i h MET 849 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2x6i h MET 849 Cb 0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2x6i h MET 849 CO -0.02 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.36 2x6i n GLY 850 N 1.32 1.01 5.65 8.32 0.00 -0.36 -4.05 105.19 117.07 2x6i n GLY 850 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.98 -2.13 0.29 -0.02 0.00 -1.14 -4.60 105.19 95.61 2x6i n GLY 851 Ca 0.00 -1.49 -0.15 0.00 0.00 0.00 0.00 46.02 44.39 2x6i n GLY 851 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2x6i h ILE 852 N 0.00 0.43 -3.34 -0.61 5.03 -1.94 -3.28 117.51 113.80 2x6i h ILE 852 Ca 0.00 -0.34 -0.60 0.00 -0.12 0.00 0.00 64.86 63.80 2x6i h ILE 852 Cb 0.00 0.57 -0.11 0.00 -3.03 0.00 0.00 36.82 34.24 2x6i h ILE 852 CO 0.00 0.05 0.59 -0.94 -0.68 0.00 0.00 178.15 177.17 2x6i s SER 853 N -4.74 6.39 0.04 1.72 1.04 -1.26 -4.53 113.70 112.36 2x6i s SER 853 Ca -0.15 -0.18 0.04 0.00 0.48 0.00 0.00 55.95 56.13 2x6i s SER 853 Cb 0.02 -2.45 -0.02 0.00 0.10 0.00 0.00 66.02 63.68 2x6i s SER 853 CO 0.54 -1.19 -0.11 -0.44 0.98 0.00 0.00 173.24 173.02 2x6i s SER 854 N 2.67 1.32 0.44 7.02 0.01 -1.24 -4.92 113.70 119.00 2x6i s SER 854 Ca 0.33 -0.47 0.18 0.00 1.31 0.00 0.00 55.95 57.30 2x6i s SER 854 Cb -0.11 -0.05 1.12 0.00 0.21 0.00 0.00 66.02 67.18 2x6i s SER 854 CO 0.22 -0.05 1.89 -0.08 0.41 0.00 0.00 173.24 175.63 2x6i h GLU 855 N 4.81 0.35 -0.04 12.44 4.81 -1.92 -2.56 114.58 132.46 2x6i h GLU 855 Ca -0.37 -0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 58.62 2x6i h GLU 855 Cb 1.19 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.49 2x6i h GLU 855 CO 0.43 0.23 -0.86 0.45 -0.73 0.00 0.00 179.01 178.52 2x6i h HIS 856 N 0.36 0.68 -0.00 0.92 3.86 -1.92 -2.24 115.15 116.81 2x6i h HIS 856 Ca 0.42 -0.34 -0.19 0.00 -1.16 0.00 0.00 60.37 59.09 2x6i h HIS 856 Cb 1.08 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.45 2x6i h HIS 856 CO -0.00 1.14 -0.86 1.25 0.86 0.00 0.00 177.93 180.32 2x6i h HIS 857 N 0.30 0.30 -0.41 2.45 -0.00 -1.61 -2.51 115.15 113.67 2x6i h HIS 857 Ca -0.07 -0.16 -0.11 0.00 -0.00 0.00 0.00 60.37 60.03 2x6i h HIS 857 Cb 1.48 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 28.84 2x6i h HIS 857 CO 0.06 0.96 -0.21 1.25 -0.00 0.00 0.00 177.93 180.00 2x6i h HIS 858 N 0.12 0.92 -0.98 5.26 6.17 -1.37 -1.54 115.15 123.71 2x6i h HIS 858 Ca -0.04 -0.21 0.05 0.00 0.71 0.00 0.00 60.37 60.88 2x6i h HIS 858 Cb 1.48 -0.22 -0.06 0.00 2.52 0.00 0.00 27.41 31.13 2x6i h HIS 858 CO 0.03 0.94 0.64 1.49 0.71 0.00 0.00 177.93 181.74 2x6i h GLU 859 N 0.71 1.16 -0.31 5.26 4.22 -1.18 -2.25 114.58 122.18 2x6i h GLU 859 Ca 0.10 -0.07 -0.11 0.00 0.08 0.00 0.00 59.36 59.36 2x6i h GLU 859 Cb 0.72 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2x6i h GLU 859 CO 0.06 0.77 -0.22 0.35 -2.18 0.00 0.00 179.01 177.78 2x6i h PHE 860 N 1.20 0.83 -0.29 0.92 3.57 -0.85 -2.44 116.94 119.87 2x6i h PHE 860 Ca 0.41 -0.23 -0.17 0.00 3.53 0.00 0.00 57.97 61.51 2x6i h PHE 860 Cb 0.08 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 2x6i h PHE 860 CO -0.01 0.95 -0.49 0.00 -2.23 0.00 0.00 178.31 176.53 2x6i h ARG 861 N 0.46 0.85 -0.87 1.11 3.08 -1.10 -1.62 114.38 116.28 2x6i h ARG 861 Ca 0.06 -0.52 0.10 0.00 0.07 0.00 0.00 59.98 59.68 2x6i h ARG 861 Cb 0.77 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.80 2x6i h ARG 861 CO 0.06 1.16 0.52 -0.22 -1.07 0.00 0.00 179.97 180.42 2x6i h LYS 862 N 0.63 0.84 -0.35 0.04 3.64 -1.38 -1.01 116.57 118.97 2x6i h LYS 862 Ca 0.02 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.22 2x6i h LYS 862 Cb 1.10 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 2x6i h LYS 862 CO 0.11 0.55 -0.32 0.37 -2.27 0.00 0.00 179.45 177.90 2x6i h GLN 863 N 0.86 0.76 -0.40 1.90 5.75 -0.87 -2.23 115.11 120.89 2x6i h GLN 863 Ca 0.42 -0.35 -0.08 0.00 -0.15 0.00 0.00 58.65 58.49 2x6i h GLN 863 Cb 0.37 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 2x6i h GLN 863 CO -0.24 0.97 -0.09 0.00 -2.65 0.00 0.00 178.83 176.81 2x6i h TYR 865 N 0.63 0.77 -0.05 0.00 0.05 -0.79 -1.23 116.97 116.36 2x6i h TYR 865 Ca 0.11 -0.28 -0.08 0.00 0.05 0.00 0.00 58.73 58.53 2x6i h TYR 865 Cb 0.53 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.11 2x6i h TYR 865 CO 0.02 1.03 -0.35 1.79 -1.05 0.00 0.00 178.16 179.61 2x6i h THR 866 N 0.30 1.27 -0.03 -2.88 1.35 -1.38 -1.17 112.91 110.36 2x6i h THR 866 Ca 0.01 -1.27 -0.20 0.00 -0.55 0.00 0.00 66.41 64.40 2x6i h THR 866 Cb 0.98 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 69.02 2x6i h THR 866 CO 0.09 0.37 -0.82 0.00 -0.25 0.00 0.00 175.52 174.91 2x6i h ALA 867 N 1.57 0.53 -0.06 6.62 0.00 -1.08 -1.38 119.26 125.46 2x6i h ALA 867 Ca 0.01 -0.66 -0.24 0.00 0.00 0.00 0.00 54.91 54.01 2x6i h ALA 867 Cb 0.66 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.41 2x6i h ALA 867 CO 0.05 0.82 -0.92 -0.92 0.00 0.00 0.00 179.25 178.28 2x6i h TYR 868 N 0.21 1.00 -0.33 0.00 3.20 -0.33 -2.16 116.97 118.54 2x6i h TYR 868 Ca -0.05 -0.50 -0.14 0.00 3.14 0.00 0.00 58.73 61.19 2x6i h TYR 868 Cb 1.42 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.55 2x6i h TYR 868 CO 0.04 1.33 -0.36 -0.07 -1.64 0.00 0.00 178.16 177.46 2x6i h LEU 869 N 0.43 0.81 -1.01 2.82 3.38 -1.08 -1.68 115.31 118.99 2x6i h LEU 869 Ca -0.09 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.43 2x6i h LEU 869 Cb 1.56 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 2x6i h LEU 869 CO 0.18 1.08 -0.44 0.45 0.09 0.00 0.00 178.44 179.80 2x6i h HIS 870 N 0.64 0.14 0.02 1.13 3.86 -1.04 -2.77 115.15 117.13 2x6i h HIS 870 Ca 0.06 -0.04 -0.24 0.00 -1.16 0.00 0.00 60.37 58.99 2x6i h HIS 870 Cb 0.90 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 29.31 2x6i h HIS 870 CO 0.05 0.54 -1.20 -0.07 0.86 0.00 0.00 177.93 178.11 2x6i h LEU 871 N 0.10 0.07 -1.66 2.43 3.38 -0.90 -2.92 115.31 115.81 2x6i h LEU 871 Ca 0.01 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2x6i h LEU 871 Cb 0.82 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2x6i h LEU 871 CO 0.06 1.07 -0.02 0.03 0.09 0.00 0.00 178.44 179.67 2x6i h ARG 872 N 0.01 0.18 0.00 1.13 3.08 -1.04 -0.83 114.38 116.91 2x6i h ARG 872 Ca -0.09 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.83 2x6i h ARG 872 Cb 1.86 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.86 2x6i h ARG 872 CO 0.13 0.22 -0.52 0.00 -1.07 0.00 0.00 179.97 178.74 2x6i h ARG 873 N 0.18 0.00 -0.54 0.04 3.08 -1.39 -3.19 114.38 112.56 2x6i h ARG 873 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2x6i h ARG 873 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2x6i h ARG 873 CO 0.01 0.52 0.00 0.72 -1.07 0.00 0.00 179.97 180.14 2x6i n HIS 874 N -3.89 1.38 -0.08 3.04 8.25 -0.33 -4.64 115.22 118.97 2x6i n HIS 874 Ca -0.01 -0.66 -0.09 0.00 -0.26 0.00 0.00 57.72 56.70 2x6i n HIS 874 Cb 0.54 -0.28 -0.02 0.00 1.12 0.00 0.00 29.99 31.35 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 3.47 -0.24 -0.80 -1.41 0.00 -1.53 -2.34 119.26 116.41 2x6i h ALA 875 Ca 0.00 0.07 0.31 0.00 0.00 0.00 0.00 54.91 55.29 2x6i h ALA 875 Cb 1.46 0.66 -0.15 0.00 0.00 0.00 0.00 17.79 19.77 2x6i h ALA 875 CO 0.25 -0.75 0.32 0.09 0.00 0.00 0.00 179.25 179.16 2x6i n ASN 876 N -5.41 0.18 -0.06 0.00 3.02 -1.26 0.42 115.26 112.15 2x6i n ASN 876 Ca -0.00 1.34 -0.16 0.00 -0.03 0.00 0.00 54.58 55.73 2x6i n ASN 876 Cb 0.33 -0.61 -0.06 0.00 -0.61 0.00 0.00 39.78 38.83 2x6i n ASN 876 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2x6i h VAL 877 N 0.00 1.29 0.00 2.41 2.07 -1.75 -2.67 116.25 117.60 2x6i h VAL 877 Ca 0.63 -1.78 -0.14 0.00 0.82 0.00 0.00 66.70 66.22 2x6i h VAL 877 Cb 1.59 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 33.15 2x6i h VAL 877 CO -0.65 0.57 -0.68 0.24 0.02 0.00 0.00 177.57 177.06 2x6i h MET 878 N 0.53 0.00 0.16 1.57 2.86 -0.12 -2.90 114.93 117.03 2x6i h MET 878 Ca -0.01 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.33 2x6i h MET 878 Cb 1.20 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.88 2x6i h MET 878 CO 0.13 0.68 -1.30 -0.07 1.06 0.00 0.00 176.91 177.41 2x6i h LEU 879 N 0.00 0.66 -0.51 1.22 3.38 -1.11 -2.98 115.31 115.98 2x6i h LEU 879 Ca -0.01 -0.67 -0.14 0.00 0.09 0.00 0.00 57.88 57.15 2x6i h LEU 879 Cb 1.28 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2x6i h LEU 879 CO 0.09 1.51 -0.29 0.78 0.09 0.00 0.00 178.44 180.62 2x6i h ASN 880 N 0.15 0.94 -0.46 -0.43 2.35 -1.44 0.18 115.58 116.87 2x6i h ASN 880 Ca -0.18 -0.39 0.01 0.00 -0.55 0.00 0.00 56.30 55.19 2x6i h ASN 880 Cb 2.00 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 40.08 2x6i h ASN 880 CO 0.23 1.16 0.30 -0.07 -1.65 0.00 0.00 177.43 177.41 2x6i h LEU 881 N 0.77 0.52 0.05 1.61 3.38 -1.51 -0.97 115.31 119.16 2x6i h LEU 881 Ca 0.08 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.81 2x6i h LEU 881 Cb 0.86 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 2x6i h LEU 881 CO 0.08 0.37 -1.10 -0.26 0.09 0.00 0.00 178.44 177.62 2x6i h PHE 882 N 0.61 0.19 -0.07 1.13 0.04 -1.19 -2.95 116.94 114.71 2x6i h PHE 882 Ca 0.17 -0.14 0.02 0.00 2.80 0.00 0.00 57.97 60.82 2x6i h PHE 882 Cb -0.06 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.08 2x6i h PHE 882 CO -0.00 1.11 0.10 0.77 -0.60 0.00 0.00 178.31 179.70 2x6i h SER 883 N 0.03 0.00 0.09 2.17 0.02 0.68 -2.16 113.55 114.38 2x6i h SER 883 Ca -0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2x6i h SER 883 Cb 1.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.39 2x6i h SER 883 CO 0.16 0.00 -1.06 0.18 -1.14 0.00 0.00 176.83 174.96 2x6i n LEU 884 N -3.62 0.80 -1.49 5.07 4.77 -0.87 -3.84 117.00 117.82 2x6i n LEU 884 Ca -0.01 -0.35 0.08 0.00 -0.03 0.00 0.00 56.01 55.70 2x6i n LEU 884 Cb 0.20 -0.03 0.33 0.00 -2.33 0.00 0.00 43.42 41.58 2x6i n LEU 884 CO 0.25 0.19 0.78 0.23 -1.33 0.00 0.00 177.39 177.51 2x6i n MET 885 N -1.63 3.54 -0.24 3.23 2.81 -0.81 -4.53 117.12 119.49 2x6i n MET 885 Ca 0.03 -2.60 0.01 0.00 -1.81 0.00 0.00 57.70 53.33 2x6i n MET 885 Cb 0.37 -1.86 0.13 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 3.71 0.86 -0.94 2.03 2.07 -1.66 -1.83 116.25 120.49 2x6i h VAL 886 Ca 0.00 -0.20 -0.64 0.00 0.82 0.00 0.00 66.70 66.67 2x6i h VAL 886 Cb 1.37 0.22 -0.33 0.00 -1.52 0.00 0.00 31.29 31.03 2x6i h VAL 886 CO 0.23 0.11 0.40 0.47 0.02 0.00 0.00 177.57 178.80 2x6i n ASP 887 N -4.86 6.93 0.09 0.57 8.00 -1.26 -4.80 116.55 121.21 2x6i n ASP 887 Ca 0.10 -3.78 -0.06 0.00 0.71 0.00 0.00 54.79 51.76 2x6i n ASP 887 Cb 0.25 -0.80 0.07 0.00 -0.02 0.00 0.00 41.12 40.62 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 2.06 0.72 -0.59 2.24 0.00 -1.65 -3.47 119.26 118.57 2x6i h ALA 888 Ca 0.54 -0.62 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 2x6i h ALA 888 Cb 1.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2x6i h ALA 888 CO 1.36 0.81 -0.14 0.25 0.00 0.00 0.00 179.25 181.53 2x6i n THR 889 N -3.78 -0.14 -3.10 0.00 -2.24 -1.26 -5.03 114.28 98.73 2x6i n THR 889 Ca -0.03 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.35 2x6i n THR 889 Cb 0.70 -1.10 -0.06 0.00 -2.10 0.00 0.00 70.33 67.77 2x6i n THR 889 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2x6i s VAL 890 N -2.27 5.02 0.25 2.28 1.01 -1.26 -4.91 120.40 120.51 2x6i s VAL 890 Ca 0.00 1.24 -0.04 0.00 0.00 0.00 0.00 61.98 63.18 2x6i s VAL 890 Cb 0.00 -3.97 0.25 0.00 0.00 0.00 0.00 36.38 32.67 2x6i s VAL 890 CO 0.00 0.12 1.68 1.55 0.00 0.00 0.00 175.10 178.45 2x6i h PRO 891 N 7.37 0.24 0.00 2.72 0.13 -1.98 -1.15 132.00 139.33 2x6i h PRO 891 Ca -0.32 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.72 2x6i h PRO 891 Cb 1.15 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2x6i h PRO 891 CO 0.78 0.16 -0.32 -0.44 -0.23 0.00 0.00 178.00 177.95 2x6i h ASP 892 N 0.25 0.00 0.68 1.44 3.32 -1.91 -2.90 116.42 117.30 2x6i h ASP 892 Ca 0.44 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.22 2x6i h ASP 892 Cb 0.78 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.31 2x6i h ASP 892 CO -0.55 0.32 -1.30 0.40 -1.72 0.00 0.00 179.24 176.40 2x6i h ILE 893 N 0.00 1.40 0.00 0.35 2.04 -1.59 -3.36 117.51 116.35 2x6i h ILE 893 Ca -0.00 -3.06 -0.00 0.00 1.00 0.00 0.00 64.86 62.79 2x6i h ILE 893 Cb 0.82 2.81 -0.00 0.00 -0.74 0.00 0.00 36.82 39.70 2x6i h ILE 893 CO 0.04 0.86 -0.02 0.00 0.00 0.00 0.00 178.15 179.03 2x6i h ALA 894 N 0.73 1.00 -0.54 1.87 0.00 -1.18 -1.82 119.26 119.32 2x6i h ALA 894 Ca -0.14 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 2x6i h ALA 894 Cb 1.93 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 2x6i h ALA 894 CO 0.16 0.02 -0.02 -0.07 0.00 0.00 0.00 179.25 179.34 2x6i h LEU 895 N 0.00 0.95 -6.49 0.00 4.07 -1.71 -3.36 115.31 108.77 2x6i h LEU 895 Ca -0.00 -0.32 -0.36 0.00 0.08 0.00 0.00 57.88 57.29 2x6i h LEU 895 Cb 0.58 -0.26 -0.33 0.00 1.08 0.00 0.00 40.66 41.73 2x6i h LEU 895 CO 0.00 1.04 -0.66 -0.70 -1.08 0.00 0.00 178.44 177.04 2x6i s GLU 896 N -4.98 0.40 0.38 1.13 -6.30 -1.21 -5.03 118.70 103.09 2x6i s GLU 896 Ca -0.12 -0.38 0.05 0.00 -2.50 0.00 0.00 54.97 52.03 2x6i s GLU 896 Cb 0.12 -0.72 0.76 0.00 0.00 0.00 0.00 34.13 34.30 2x6i s GLU 896 CO 0.84 -1.08 2.02 -1.35 0.02 0.00 0.00 175.26 175.72 2x6i h PRO 897 N 7.94 0.62 -0.74 4.30 0.11 -1.49 -2.80 132.00 139.93 2x6i h PRO 897 Ca -0.08 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.95 2x6i h PRO 897 Cb 1.06 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.00 2x6i h PRO 897 CO 0.31 0.44 0.34 -0.44 -0.21 0.00 0.00 178.00 178.44 2x6i h ASP 898 N 0.64 0.99 0.25 -2.05 3.32 -1.91 -2.34 116.42 115.31 2x6i h ASP 898 Ca 0.17 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2x6i h ASP 898 Cb -0.03 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.27 2x6i h ASP 898 CO -0.03 0.86 -0.09 0.29 -1.72 0.00 0.00 179.24 178.55 2x6i n LYS 899 N -4.38 0.88 -0.29 3.56 5.02 -1.08 -4.13 118.16 117.74 2x6i n LYS 899 Ca 0.06 -0.33 0.08 0.00 -2.02 0.00 0.00 58.31 56.10 2x6i n LYS 899 Cb 0.15 -1.49 0.23 0.00 -0.02 0.00 0.00 35.03 33.89 2x6i n LYS 899 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2x6i h ALA 900 N 3.78 1.28 0.06 7.82 0.00 -1.20 -0.73 119.26 130.26 2x6i h ALA 900 Ca 0.00 0.10 -0.34 0.00 0.00 0.00 0.00 54.91 54.67 2x6i h ALA 900 Cb 0.34 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2x6i h ALA 900 CO 0.00 -0.13 -1.93 0.28 0.00 0.00 0.00 179.25 177.47 2x6i n VAL 901 N -4.91 1.67 0.13 0.00 0.31 -1.26 -3.81 118.33 110.47 2x6i n VAL 901 Ca 0.17 -0.72 0.09 0.00 -0.01 0.00 0.00 64.34 63.87 2x6i n VAL 901 Cb 0.46 -1.33 0.58 0.00 -0.91 0.00 0.00 33.84 32.64 2x6i n VAL 901 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2x6i h LYS 902 N 0.03 0.17 0.07 5.55 1.57 -1.64 -2.31 116.57 120.02 2x6i h LYS 902 Ca -0.38 -0.01 -0.25 0.00 -1.87 0.00 0.00 60.65 58.14 2x6i h LYS 902 Cb 2.03 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 34.30 2x6i h LYS 902 CO 0.07 0.11 -1.11 0.87 -0.57 0.00 0.00 179.45 178.82 2x6i h LYS 903 N 0.17 0.23 0.01 3.15 1.57 -1.24 -2.75 116.57 117.71 2x6i h LYS 903 Ca 0.09 -0.34 -0.19 0.00 -1.87 0.00 0.00 60.65 58.34 2x6i h LYS 903 Cb 0.15 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2x6i h LYS 903 CO -0.02 1.13 -0.91 0.28 -0.57 0.00 0.00 179.45 179.36 2x6i h VAL 904 N 0.08 1.63 -0.54 0.50 2.07 -1.55 -2.95 116.25 115.49 2x6i h VAL 904 Ca -0.09 -3.04 -0.11 0.00 0.82 0.00 0.00 66.70 64.27 2x6i h VAL 904 Cb 1.82 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 34.23 2x6i h VAL 904 CO 0.18 0.87 -0.11 -0.33 0.02 0.00 0.00 177.57 178.20 2x6i h GLU 905 N 0.01 1.03 -0.52 1.57 5.08 -1.34 -2.33 114.58 118.08 2x6i h GLU 905 Ca -0.02 -0.38 -0.06 0.00 -1.00 0.00 0.00 59.36 57.90 2x6i h GLU 905 Cb 1.60 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.76 2x6i h GLU 905 CO 0.12 1.07 0.08 0.93 -1.00 0.00 0.00 179.01 180.21 2x6i h GLU 906 N 0.91 0.83 0.00 2.33 5.08 -1.34 -0.22 114.58 122.17 2x6i h GLU 906 Ca 0.14 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 2x6i h GLU 906 Cb 0.67 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2x6i h GLU 906 CO 0.05 0.78 -0.34 -0.91 -1.00 0.00 0.00 179.01 177.59 2x6i h ASN 907 N 0.79 0.00 1.54 1.42 2.35 -1.32 -2.62 115.58 117.73 2x6i h ASN 907 Ca 0.16 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.82 2x6i h ASN 907 Cb 0.36 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 2x6i h ASN 907 CO 0.01 0.34 -0.46 -0.07 -1.65 0.00 0.00 177.43 175.59 2x6i h LEU 908 N 0.00 0.00 -1.29 1.61 3.38 -0.51 -3.47 115.31 115.03 2x6i h LEU 908 Ca -0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.59 2x6i h LEU 908 Cb 0.80 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.68 2x6i h LEU 908 CO 0.04 0.43 -0.74 1.67 0.09 0.00 0.00 178.44 179.93 2x6i n GLN 909 N -3.19 -7.05 0.09 1.13 -0.06 -0.88 -4.89 117.38 102.54 2x6i n GLN 909 Ca 0.02 0.81 0.10 0.00 -2.00 0.00 0.00 57.00 55.93 2x6i n GLN 909 Cb 0.71 -5.82 0.43 0.00 -4.06 0.00 0.00 30.24 21.50 2x6i n GLN 909 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2x6i n LEU 910 N -4.54 0.45 0.06 1.69 4.77 -1.26 -2.67 117.00 115.50 2x6i n LEU 910 Ca -0.15 0.62 -0.13 0.00 -0.03 0.00 0.00 56.01 56.33 2x6i n LEU 910 Cb 0.62 -0.57 -0.08 0.00 -2.33 0.00 0.00 43.42 41.05 2x6i n LEU 910 CO 0.64 -0.51 0.74 1.23 -1.33 0.00 0.00 177.39 178.16 2x6i h GLY 911 N 2.05 -0.11 -1.67 -0.72 0.00 -1.94 -3.47 103.07 97.22 2x6i h GLY 911 Ca 0.00 0.04 -0.51 0.00 0.00 0.00 0.00 47.33 46.86 2x6i h GLY 911 CO 0.00 -0.04 0.37 1.08 0.00 0.00 0.00 176.54 177.95 2x6i s LEU 912 N -9.77 3.37 0.68 3.11 1.43 -1.09 -5.02 118.68 111.39 2x6i s LEU 912 Ca -0.14 1.98 -0.13 0.00 -1.03 0.00 0.00 54.13 54.80 2x6i s LEU 912 Cb 0.04 -4.55 0.01 0.00 0.03 0.00 0.00 46.19 41.72 2x6i s LEU 912 CO 0.65 -1.64 1.09 0.28 0.23 0.00 0.00 176.35 176.96 2x6i s THR 913 N -2.38 3.46 0.29 5.49 -1.32 -1.26 -4.73 115.64 115.18 2x6i s THR 913 Ca 0.66 0.60 0.03 0.00 -1.21 0.00 0.00 61.69 61.77 2x6i s THR 913 Cb -0.20 -3.13 0.28 0.00 -1.51 0.00 0.00 72.50 67.93 2x6i s THR 913 CO 0.42 -0.50 1.73 0.44 -2.21 0.00 0.00 174.62 174.51 2x6i h ASP 914 N -0.31 0.50 -0.34 8.08 5.19 -1.98 0.53 116.42 128.11 2x6i h ASP 914 Ca -0.46 0.12 -0.07 0.00 -0.62 0.00 0.00 57.03 56.01 2x6i h ASP 914 Cb 1.23 0.05 -0.02 0.00 0.18 0.00 0.00 39.33 40.78 2x6i h ASP 914 CO 0.54 0.13 -0.02 -0.33 -3.12 0.00 0.00 179.24 176.44 2x6i h GLU 915 N 0.55 0.71 0.01 3.56 3.07 -2.00 -2.17 114.58 118.31 2x6i h GLU 915 Ca 0.54 -0.19 -0.20 0.00 -0.50 0.00 0.00 59.36 59.01 2x6i h GLU 915 Cb 0.92 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.73 2x6i h GLU 915 CO -0.45 0.74 -0.93 0.93 -1.40 0.00 0.00 179.01 177.90 2x6i h GLU 916 N 0.67 0.06 0.10 2.33 5.08 -0.96 -2.83 114.58 119.02 2x6i h GLU 916 Ca 0.13 -0.08 -0.28 0.00 -1.00 0.00 0.00 59.36 58.13 2x6i h GLU 916 Cb 0.44 0.03 0.03 0.00 0.50 0.00 0.00 28.75 29.75 2x6i h GLU 916 CO 0.02 0.94 -1.16 0.00 -1.00 0.00 0.00 179.01 177.82 2x6i h ALA 917 N 1.02 0.01 -0.70 3.43 0.00 0.18 -1.95 119.26 121.26 2x6i h ALA 917 Ca -0.03 -0.74 -0.07 0.00 0.00 0.00 0.00 54.91 54.07 2x6i h ALA 917 Cb 1.62 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 2x6i h ALA 917 CO 0.13 0.65 0.16 0.28 0.00 0.00 0.00 179.25 180.46 2x6i h VAL 918 N 0.24 1.26 -0.44 0.00 2.07 -1.40 -1.24 116.25 116.74 2x6i h VAL 918 Ca -0.17 -0.99 -0.11 0.00 0.82 0.00 0.00 66.70 66.25 2x6i h VAL 918 Cb 1.84 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 2x6i h VAL 918 CO 0.22 0.38 -0.16 1.56 0.02 0.00 0.00 177.57 179.59 2x6i h GLN 919 N 1.07 0.84 -0.34 1.57 4.20 -1.29 0.52 115.11 121.67 2x6i h GLN 919 Ca 0.22 -0.31 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 2x6i h GLN 919 Cb 0.39 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 2x6i h GLN 919 CO 0.01 0.94 -0.07 1.25 -0.67 0.00 0.00 178.83 180.29 2x6i h HIS 920 N 0.74 0.71 -0.45 2.96 -0.00 -0.84 -1.42 115.15 116.86 2x6i h HIS 920 Ca 0.11 -0.15 -0.13 0.00 -0.00 0.00 0.00 60.37 60.20 2x6i h HIS 920 Cb 0.67 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.90 2x6i h HIS 920 CO 0.04 0.80 -0.23 1.25 -0.00 0.00 0.00 177.93 179.79 2x6i h LEU 921 N 0.43 0.98 -1.07 0.26 5.85 -0.39 -1.87 115.31 119.50 2x6i h LEU 921 Ca 0.09 -0.41 0.09 0.00 0.84 0.00 0.00 57.88 58.49 2x6i h LEU 921 Cb 0.56 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.25 2x6i h LEU 921 CO 0.03 1.17 0.62 -0.61 -0.34 0.00 0.00 178.44 179.31 2x6i h GLN 922 N 0.79 1.01 -0.81 1.25 4.15 0.25 0.23 115.11 121.97 2x6i h GLN 922 Ca 0.10 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.44 2x6i h GLN 922 Cb 0.80 -0.23 -0.04 0.00 0.21 0.00 0.00 27.48 28.23 2x6i h GLN 922 CO 0.07 0.67 0.43 1.03 -1.93 0.00 0.00 178.83 179.10 2x6i h SER 923 N 1.04 1.03 -0.10 -0.69 0.87 -0.41 -2.74 113.55 112.55 2x6i h SER 923 Ca 0.45 -0.11 -0.17 0.00 -1.23 0.00 0.00 61.79 60.72 2x6i h SER 923 Cb 0.33 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2x6i h SER 923 CO -0.20 0.84 -0.56 -0.07 -0.53 0.00 0.00 176.83 176.31 2x6i h LEU 924 N 1.13 0.77 -1.13 2.23 3.38 -0.80 -2.22 115.31 118.67 2x6i h LEU 924 Ca 0.28 -0.42 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 2x6i h LEU 924 Cb 0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2x6i h LEU 924 CO -0.04 1.18 0.07 -0.07 0.09 0.00 0.00 178.44 179.66 2x6i h LEU 925 N 0.53 0.63 -0.31 1.67 3.38 -1.16 -2.48 115.31 117.58 2x6i h LEU 925 Ca 0.01 -0.11 -0.20 0.00 0.09 0.00 0.00 57.88 57.66 2x6i h LEU 925 Cb 1.14 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 2x6i h LEU 925 CO 0.11 0.66 -0.81 0.44 0.09 0.00 0.00 178.44 178.93 2x6i h ASP 926 N 0.65 0.51 0.28 -0.43 3.45 -1.16 0.14 116.42 119.87 2x6i h ASP 926 Ca 0.14 -0.36 -0.21 0.00 0.43 0.00 0.00 57.03 57.03 2x6i h ASP 926 Cb 0.30 -0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 38.92 2x6i h ASP 926 CO 0.00 1.13 -0.84 -0.37 -1.57 0.00 0.00 179.24 177.59 2x6i h VAL 927 N 0.26 1.39 -0.14 -1.35 -1.51 -1.28 -1.25 116.25 112.37 2x6i h VAL 927 Ca -0.05 -2.29 -0.11 0.00 -1.23 0.00 0.00 66.70 63.02 2x6i h VAL 927 Cb 1.41 2.26 0.00 0.00 -2.13 0.00 0.00 31.29 32.84 2x6i h VAL 927 CO 0.14 0.69 -0.36 0.28 -1.23 0.00 0.00 177.57 177.09 2x6i h SER 928 N 0.26 0.55 -0.17 4.19 0.02 -0.98 -1.58 113.55 115.85 2x6i h SER 928 Ca -0.06 -0.58 -0.10 0.00 -0.84 0.00 0.00 61.79 60.22 2x6i h SER 928 Cb 1.45 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 2x6i h SER 928 CO 0.15 1.04 -0.20 0.40 -1.14 0.00 0.00 176.83 177.07 2x6i h ILE 929 N 0.10 1.26 -0.16 3.27 2.04 -0.66 -2.09 117.51 121.27 2x6i h ILE 929 Ca -0.00 -1.23 -0.14 0.00 1.00 0.00 0.00 64.86 64.49 2x6i h ILE 929 Cb 0.97 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 2x6i h ILE 929 CO 0.08 0.40 -0.48 0.71 0.00 0.00 0.00 178.15 178.86 2x6i h THR 930 N 0.53 1.32 0.00 -0.27 1.35 -0.95 -1.68 112.91 113.21 2x6i h THR 930 Ca 0.08 -1.70 -0.12 0.00 -0.55 0.00 0.00 66.41 64.13 2x6i h THR 930 Cb 0.64 1.73 -0.02 0.00 -1.73 0.00 0.00 68.15 68.77 2x6i h THR 930 CO 0.05 0.52 -0.58 0.00 -0.25 0.00 0.00 175.52 175.26 2x6i h ALA 931 N 1.15 0.83 -0.02 6.62 0.00 -0.73 -3.10 119.26 124.01 2x6i h ALA 931 Ca 0.02 -0.52 -0.13 0.00 0.00 0.00 0.00 54.91 54.27 2x6i h ALA 931 Cb 0.97 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.68 2x6i h ALA 931 CO 0.08 0.72 -0.50 0.28 0.00 0.00 0.00 179.25 179.84 2x6i h VAL 932 N 0.00 1.44 -3.52 0.00 2.07 -0.92 -3.46 116.25 111.87 2x6i h VAL 932 Ca -0.01 -2.00 -0.52 0.00 0.82 0.00 0.00 66.70 65.00 2x6i h VAL 932 Cb 1.18 2.56 0.01 0.00 -1.52 0.00 0.00 31.29 33.53 2x6i h VAL 932 CO 0.07 0.58 0.50 -0.04 0.02 0.00 0.00 177.57 178.70 2x6i s MET 933 N -3.28 4.55 0.14 1.57 -1.94 -0.68 -4.66 119.30 115.01 2x6i s MET 933 Ca -0.14 1.76 -0.10 0.00 -1.71 0.00 0.00 55.69 55.50 2x6i s MET 933 Cb 0.03 -3.27 -0.04 0.00 2.01 0.00 0.00 34.83 33.56 2x6i s MET 933 CO 0.80 0.00 1.44 -1.00 -0.01 0.00 0.00 175.02 176.26 2x6i h PRO 934 N 5.28 0.86 0.00 2.03 0.13 -1.89 -3.15 132.00 135.26 2x6i h PRO 934 Ca -0.44 -0.51 -0.08 0.00 -0.87 0.00 0.00 66.00 64.10 2x6i h PRO 934 Cb 1.21 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2x6i h PRO 934 CO 0.74 1.15 -0.37 0.00 -0.23 0.00 0.00 178.00 179.29 2x6i h ALA 935 N 0.76 1.22 0.00 -0.56 0.00 -1.93 -2.94 119.26 115.80 2x6i h ALA 935 Ca 0.03 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 54.41 2x6i h ALA 935 Cb 1.09 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2x6i h ALA 935 CO 0.11 0.46 -0.90 -0.07 0.00 0.00 0.00 179.25 178.85 2x6i h LEU 936 N 0.00 0.00 -0.29 0.00 3.38 -1.81 -1.34 115.31 115.26 2x6i h LEU 936 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 2x6i h LEU 936 Cb 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2x6i h LEU 936 CO 0.05 0.90 -0.87 0.58 0.09 0.00 0.00 178.44 179.19 2x6i h VAL 937 N 0.00 1.49 -0.38 1.22 2.07 -1.54 -2.66 116.25 116.45 2x6i h VAL 937 Ca -0.01 -2.61 -0.14 0.00 0.82 0.00 0.00 66.70 64.76 2x6i h VAL 937 Cb 1.67 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 33.89 2x6i h VAL 937 CO 0.12 0.76 -0.31 -0.33 0.02 0.00 0.00 177.57 177.83 2x6i h GLU 938 N 0.11 0.84 -0.42 1.57 5.08 -1.31 -1.85 114.58 118.60 2x6i h GLU 938 Ca -0.04 -0.40 -0.11 0.00 -1.00 0.00 0.00 59.36 57.81 2x6i h GLU 938 Cb 1.50 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.72 2x6i h GLU 938 CO 0.13 1.03 -0.19 0.37 -1.00 0.00 0.00 179.01 179.36 2x6i h GLN 939 N 0.71 0.82 -0.15 2.33 4.15 -1.24 -1.39 115.11 120.34 2x6i h GLN 939 Ca 0.08 -0.32 -0.16 0.00 0.77 0.00 0.00 58.65 59.02 2x6i h GLN 939 Cb 0.86 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.50 2x6i h GLN 939 CO 0.08 0.94 -0.56 0.82 -1.93 0.00 0.00 178.83 178.18 2x6i h ILE 940 N 0.72 1.34 -0.49 2.39 2.04 -1.24 -2.44 117.51 119.83 2x6i h ILE 940 Ca 0.11 -1.83 -0.07 0.00 1.00 0.00 0.00 64.86 64.06 2x6i h ILE 940 Cb 0.71 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.59 2x6i h ILE 940 CO 0.05 0.56 0.01 0.45 0.00 0.00 0.00 178.15 179.22 2x6i h HIS 941 N 0.36 0.88 -0.30 1.37 3.86 -0.78 -1.27 115.15 119.27 2x6i h HIS 941 Ca 0.00 -0.12 -0.05 0.00 -1.16 0.00 0.00 60.37 59.04 2x6i h HIS 941 Cb 1.09 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 29.30 2x6i h HIS 941 CO 0.04 0.80 -0.02 0.00 0.86 0.00 0.00 177.93 179.61 2x6i h ARG 942 N 0.77 0.45 0.00 2.45 3.08 -0.90 -2.47 114.38 117.76 2x6i h ARG 942 Ca 0.15 -0.09 -0.21 0.00 0.07 0.00 0.00 59.98 59.89 2x6i h ARG 942 Cb 0.45 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 2x6i h ARG 942 CO 0.02 0.50 -0.91 0.74 -1.07 0.00 0.00 179.97 179.24 2x6i h PHE 943 N 0.44 0.47 -0.29 3.04 0.05 -0.80 -2.41 116.94 117.44 2x6i h PHE 943 Ca 0.09 -0.26 -0.02 0.00 3.82 0.00 0.00 57.97 61.60 2x6i h PHE 943 Cb 0.32 -0.05 -0.02 0.00 2.00 0.00 0.00 35.95 38.20 2x6i h PHE 943 CO 0.01 1.07 0.07 1.15 -0.18 0.00 0.00 178.31 180.44 2x6i h THR 944 N 0.18 1.14 0.00 -1.55 2.02 -0.96 -2.67 112.91 111.06 2x6i h THR 944 Ca -0.06 -0.48 -0.11 0.00 0.77 0.00 0.00 66.41 66.53 2x6i h THR 944 Cb 1.54 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.78 2x6i h THR 944 CO 0.15 0.17 -0.50 -0.61 0.37 0.00 0.00 175.52 175.10 2x6i h GLN 945 N 0.41 0.00 -0.62 6.66 5.75 -1.01 -3.27 115.11 123.03 2x6i h GLN 945 Ca 0.10 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.57 2x6i h GLN 945 Cb 0.16 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 2x6i h GLN 945 CO -0.00 0.50 0.28 -0.92 -2.65 0.00 0.00 178.83 176.04 2x6i h TYR 946 N 0.00 0.90 0.00 3.99 3.20 -1.09 -1.32 116.97 122.65 2x6i h TYR 946 Ca -0.01 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.81 2x6i h TYR 946 Cb 1.36 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.35 2x6i h TYR 946 CO 0.00 0.69 0.00 0.91 -1.64 0.00 0.00 178.16 178.12 2x6i n TRP 947 N -4.49 0.38 0.00 -3.82 7.02 -1.24 -5.14 117.44 110.16 2x6i n TRP 947 Ca 0.04 0.11 0.00 0.00 -1.02 0.00 0.00 57.50 56.63 2x6i n TRP 947 Cb 0.14 -0.68 0.00 0.00 -2.42 0.00 0.00 31.31 28.34 2x6i n TRP 947 CO 0.00 0.00 0.00 -2.13 -2.02 0.00 0.00 177.69 173.54