#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8v s MET 289 N 0.00 2.25 -0.42 1.57 0.23 -1.26 -5.09 119.30 116.58 3i8v s MET 289 Ca 0.00 -1.57 -0.24 0.00 -1.03 0.00 0.00 55.69 52.85 3i8v s MET 289 Cb 0.00 -2.09 0.02 0.00 -1.53 0.00 0.00 34.83 31.23 3i8v s MET 289 CO 0.00 0.21 0.86 -0.80 -2.03 0.00 0.00 175.02 173.26 3i8v s ASN 290 N -3.75 6.52 -0.27 -1.18 0.02 -1.26 -4.97 114.94 110.05 3i8v s ASN 290 Ca 0.35 0.20 -0.29 0.00 -1.02 0.00 0.00 52.86 52.09 3i8v s ASN 290 Cb -0.03 -2.43 -0.01 0.00 0.02 0.00 0.00 41.25 38.80 3i8v s ASN 290 CO 0.21 -0.92 1.51 -0.63 0.02 0.00 0.00 177.10 177.29 3i8v s ILE 291 N 3.45 3.84 0.82 0.60 -1.09 -1.26 -5.02 121.20 122.54 3i8v s ILE 291 Ca 0.34 0.93 -0.12 0.00 -2.23 0.00 0.00 60.65 59.57 3i8v s ILE 291 Cb -0.12 -3.89 0.09 0.00 -1.58 0.00 0.00 42.46 36.96 3i8v s ILE 291 CO 0.22 -0.41 1.17 -2.84 -1.23 0.00 0.00 174.94 171.85 3i8v s PRO 292 N 4.61 1.67 0.21 2.79 0.02 -1.26 -4.88 135.00 138.16 3i8v s PRO 292 Ca 0.66 1.59 -0.13 0.00 0.02 0.00 0.00 61.00 63.15 3i8v s PRO 292 Cb -0.21 -1.80 0.25 0.00 0.02 0.00 0.00 34.50 32.77 3i8v s PRO 292 CO 0.28 -2.16 1.63 -0.09 -0.33 0.00 0.00 177.00 176.33 3i8v h ARG 293 N -1.09 0.01 -0.69 5.54 2.43 -1.95 -0.31 114.38 118.32 3i8v h ARG 293 Ca -0.45 -0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 58.56 3i8v h ARG 293 Cb 1.28 -0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 30.73 3i8v h ARG 293 CO 0.46 0.01 0.20 1.19 -1.51 0.00 0.00 179.97 180.32 3i8v n PHE 294 N -5.42 2.34 0.00 2.20 3.72 -1.26 -4.94 117.46 114.10 3i8v n PHE 294 Ca 0.08 -1.09 0.00 0.00 -0.05 0.00 0.00 57.45 56.39 3i8v n PHE 294 Cb 0.34 -0.64 0.00 0.00 -0.94 0.00 0.00 39.48 38.24 3i8v n PHE 294 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i8v n GLY 295 N 0.02 3.08 3.08 1.37 0.00 -0.13 -4.58 105.19 108.03 3i8v n GLY 295 Ca 0.37 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.28 3i8v n GLY 295 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i8v s VAL 296 N -1.60 0.48 0.31 1.61 -7.23 -1.26 -4.52 120.40 108.18 3i8v s VAL 296 Ca 0.00 -1.33 -0.29 0.00 -1.81 0.00 0.00 61.98 58.54 3i8v s VAL 296 Cb 0.00 -0.91 -0.10 0.00 0.56 0.00 0.00 36.38 35.93 3i8v s VAL 296 CO 0.00 -0.58 1.43 -0.75 -0.31 0.00 0.00 175.10 174.89 3i8v s LYS 297 N -2.34 4.24 -0.16 4.82 2.20 -1.26 -4.73 119.74 122.51 3i8v s LYS 297 Ca -0.04 2.37 -0.11 0.00 -0.36 0.00 0.00 55.97 57.83 3i8v s LYS 297 Cb -0.05 -3.06 0.05 0.00 -1.51 0.00 0.00 37.83 33.27 3i8v s LYS 297 CO -0.02 -0.40 0.41 -0.08 -0.36 0.00 0.00 175.35 174.90 3i8v s THR 298 N -0.60 -0.01 -1.58 3.43 -1.32 -1.26 -4.42 115.64 109.87 3i8v s THR 298 Ca 0.55 0.05 0.21 0.00 -1.21 0.00 0.00 61.69 61.29 3i8v s THR 298 Cb -0.43 -0.59 0.70 0.00 -1.51 0.00 0.00 72.50 70.67 3i8v s THR 298 CO 0.51 0.02 1.60 0.47 -2.21 0.00 0.00 174.62 175.01 3i8v n ASP 299 N 3.65 4.41 -2.67 8.08 8.00 -1.26 -4.34 116.55 132.43 3i8v n ASP 299 Ca -0.19 -2.22 -0.08 0.00 0.71 0.00 0.00 54.79 53.00 3i8v n ASP 299 Cb 0.56 -0.54 0.03 0.00 -0.02 0.00 0.00 41.12 41.15 3i8v n ASP 299 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i8v n GLN 300 N 1.43 1.67 -0.30 -1.24 6.02 -1.26 -4.97 117.38 118.74 3i8v n GLN 300 Ca 0.26 -3.50 0.04 0.00 -0.01 0.00 0.00 57.00 53.79 3i8v n GLN 300 Cb 0.77 -1.51 0.24 0.00 1.02 0.00 0.00 30.24 30.76 3i8v n GLN 300 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 3i8v h GLU 301 N 2.79 1.00 -0.09 -1.09 4.81 -1.85 -0.75 114.58 119.41 3i8v h GLU 301 Ca -0.05 -0.06 -0.24 0.00 -0.13 0.00 0.00 59.36 58.88 3i8v h GLU 301 Cb 1.21 -0.23 0.01 0.00 0.63 0.00 0.00 28.75 30.37 3i8v h GLU 301 CO 0.44 0.66 -0.88 0.93 -0.73 0.00 0.00 179.01 179.44 3i8v h GLU 302 N 1.03 0.71 -0.38 1.92 4.39 -1.97 -0.30 114.58 119.99 3i8v h GLU 302 Ca 0.38 -0.65 -0.06 0.00 0.34 0.00 0.00 59.36 59.37 3i8v h GLU 302 Cb 0.17 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 3i8v h GLU 302 CO -0.14 1.25 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.88 3i8v h LEU 303 N 0.46 0.57 -0.30 1.33 3.38 -1.88 -2.00 115.31 116.87 3i8v h LEU 303 Ca -0.08 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.65 3i8v h LEU 303 Cb 1.51 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 3i8v h LEU 303 CO 0.17 0.66 -0.29 0.25 0.09 0.00 0.00 178.44 179.32 3i8v h LEU 304 N 0.57 0.78 -1.23 1.67 5.85 -1.05 -2.86 115.31 119.04 3i8v h LEU 304 Ca 0.12 -0.47 0.03 0.00 0.84 0.00 0.00 57.88 58.40 3i8v h LEU 304 Cb 0.39 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 3i8v h LEU 304 CO 0.02 1.08 0.54 0.00 -0.34 0.00 0.00 178.44 179.74 3i8v h ALA 305 N 0.72 1.50 0.09 1.25 0.00 -0.74 -1.10 119.26 120.98 3i8v h ALA 305 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i8v h ALA 305 Cb 0.86 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3i8v h ALA 305 CO 0.07 0.41 -0.04 0.37 0.00 0.00 0.00 179.25 180.06 3i8v h GLN 306 N 1.01 -0.12 -0.95 0.00 4.15 -1.31 -2.79 115.11 115.10 3i8v h GLN 306 Ca 0.32 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.84 3i8v h GLN 306 Cb 0.04 0.03 -0.07 0.00 0.21 0.00 0.00 27.48 27.69 3i8v h GLN 306 CO -0.10 0.20 0.61 0.93 -1.93 0.00 0.00 178.83 178.54 3i8v h GLU 307 N -0.44 0.99 0.00 1.69 4.39 -1.31 -2.35 114.58 117.56 3i8v h GLU 307 Ca -0.01 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.63 3i8v h GLU 307 Cb 0.37 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 3i8v h GLU 307 CO 0.02 0.65 0.00 -0.07 -1.16 0.00 0.00 179.01 178.45 3i8v h LEU 308 N 1.02 0.00 -2.16 1.33 3.38 -1.03 -1.86 115.31 115.99 3i8v h LEU 308 Ca 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.40 3i8v h LEU 308 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3i8v h LEU 308 CO -0.19 0.00 -0.01 -0.33 0.09 0.00 0.00 178.44 178.00 3i8v h GLU 309 N 0.00 0.00 -0.12 1.13 5.08 -1.15 -1.23 114.58 118.29 3i8v h GLU 309 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i8v h GLU 309 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3i8v h GLU 309 CO 0.00 0.01 0.00 0.09 -1.00 0.00 0.00 179.01 178.11 3i8v n ASN 310 N -4.28 0.68 -0.32 1.42 3.02 -0.70 -4.57 115.26 110.52 3i8v n ASN 310 Ca -0.03 -1.92 0.18 0.00 -0.03 0.00 0.00 54.58 52.78 3i8v n ASN 310 Cb 0.09 -0.08 0.36 0.00 -0.61 0.00 0.00 39.78 39.54 3i8v n ASN 310 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3i8v h LEU 311 N 0.77 -0.08 -2.45 3.41 5.85 -1.38 0.09 115.31 121.52 3i8v h LEU 311 Ca 0.00 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.96 3i8v h LEU 311 Cb 0.17 0.34 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3i8v h LEU 311 CO 0.00 -0.28 0.00 0.59 -0.34 0.00 0.00 178.44 178.41 3i8v n ASN 312 N -5.32 3.73 -4.28 1.25 3.02 -1.26 -4.84 115.26 107.55 3i8v n ASN 312 Ca 0.26 -2.42 -0.25 0.00 -0.03 0.00 0.00 54.58 52.14 3i8v n ASN 312 Cb 0.85 -0.53 -0.13 0.00 -0.61 0.00 0.00 39.78 39.36 3i8v n ASN 312 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3i8v s LYS 313 N -1.90 1.25 0.48 3.52 1.02 0.02 -4.86 119.74 119.27 3i8v s LYS 313 Ca 0.36 -1.10 0.13 0.00 0.02 0.00 0.00 55.97 55.38 3i8v s LYS 313 Cb 0.25 -1.48 1.13 0.00 -0.52 0.00 0.00 37.83 37.20 3i8v s LYS 313 CO 0.15 0.36 2.11 2.35 -0.92 0.00 0.00 175.35 179.40 3i8v h TRP 314 N 4.33 0.17 -0.01 3.18 2.91 -1.92 -2.92 115.95 121.70 3i8v h TRP 314 Ca -0.45 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.57 3i8v h TRP 314 Cb 1.17 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.77 3i8v h TRP 314 CO 0.57 0.11 0.00 0.41 -1.03 0.00 0.00 178.44 178.51 3i8v n GLY 315 N -1.49 -0.93 3.59 2.65 0.00 -1.26 -4.88 105.19 102.87 3i8v n GLY 315 Ca -0.01 -0.18 -0.48 0.00 0.00 0.00 0.00 46.02 45.34 3i8v n GLY 315 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3i8v n LEU 316 N -0.84 1.70 -4.28 0.99 -0.00 -1.10 -4.95 117.00 108.53 3i8v n LEU 316 Ca 0.20 1.14 -0.44 0.00 -0.00 0.00 0.00 56.01 56.90 3i8v n LEU 316 Cb 0.11 -1.24 -0.06 0.00 -0.00 0.00 0.00 43.42 42.23 3i8v n LEU 316 CO 0.15 -1.20 0.13 0.21 -0.00 0.00 0.00 177.39 176.67 3i8v s ASN 317 N 0.04 6.09 0.48 1.96 3.84 -1.26 -4.94 114.94 121.15 3i8v s ASN 317 Ca 0.73 -1.99 0.21 0.00 0.21 0.00 0.00 52.86 52.02 3i8v s ASN 317 Cb -0.83 -2.14 1.21 0.00 -0.55 0.00 0.00 41.25 38.94 3i8v s ASN 317 CO 0.52 -0.75 2.01 -0.29 -2.79 0.00 0.00 177.10 175.79 3i8v h ILE 318 N 5.78 0.83 0.00 -5.21 6.09 -1.98 -2.44 117.51 120.58 3i8v h ILE 318 Ca -0.21 -0.67 0.00 0.00 -1.37 0.00 0.00 64.86 62.61 3i8v h ILE 318 Cb 1.08 1.40 0.00 0.00 0.47 0.00 0.00 36.82 39.76 3i8v h ILE 318 CO 0.93 0.17 0.00 0.49 -3.07 0.00 0.00 178.15 176.68 3i8v n PHE 319 N -3.90 0.00 0.00 2.19 3.72 -1.26 -0.66 117.46 117.55 3i8v n PHE 319 Ca -0.02 -0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3i8v n PHE 319 Cb 0.27 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 3i8v n PHE 319 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3i8v n VAL 321 N 0.48 0.00 -0.09 -4.37 0.31 -0.92 -1.68 118.33 112.06 3i8v n VAL 321 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 3i8v n VAL 321 Cb 0.08 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 3i8v n VAL 321 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 3i8v h SER 322 N 0.00 -0.53 -0.98 4.52 0.87 -1.18 0.88 113.55 117.12 3i8v h SER 322 Ca 0.00 0.13 0.08 0.00 -1.23 0.00 0.00 61.79 60.77 3i8v h SER 322 Cb 0.00 0.30 -0.07 0.00 -0.44 0.00 0.00 62.40 62.18 3i8v h SER 322 CO 0.00 -0.19 0.62 0.44 -0.53 0.00 0.00 176.83 177.17 3i8v h ASP 323 N -0.10 0.97 0.51 6.23 3.32 -1.58 -0.01 116.42 125.76 3i8v h ASP 323 Ca 0.17 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3i8v h ASP 323 Cb 0.36 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3i8v h ASP 323 CO -0.40 0.59 -0.46 -1.22 -1.72 0.00 0.00 179.24 176.03 3i8v n TYR 324 N -4.56 0.00 -1.16 4.55 0.53 -0.80 -3.59 117.16 112.12 3i8v n TYR 324 Ca 0.16 0.00 0.02 0.00 -1.02 0.00 0.00 57.90 57.06 3i8v n TYR 324 Cb 0.23 -0.26 0.24 0.00 -1.03 0.00 0.00 39.34 38.52 3i8v n TYR 324 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3i8v n ALA 325 N -1.46 3.64 -2.74 -0.72 0.00 0.24 -4.45 120.51 115.01 3i8v n ALA 325 Ca 0.06 -2.62 -0.19 0.00 0.00 0.00 0.00 53.44 50.68 3i8v n ALA 325 Cb 0.34 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.01 3i8v n ALA 325 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i8v n GLY 326 N -0.73 -0.50 2.04 0.00 0.00 -1.14 -1.66 105.19 103.19 3i8v n GLY 326 Ca 0.28 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.35 3i8v n GLY 326 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i8v n GLY 327 N -1.12 0.83 2.75 -0.02 0.00 -0.05 -4.95 105.19 102.62 3i8v n GLY 327 Ca -0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 3i8v n GLY 327 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i8v n ARG 328 N -2.09 3.32 -0.23 1.61 5.12 -0.66 -4.72 116.66 119.01 3i8v n ARG 328 Ca 0.00 -3.49 -0.04 0.00 -1.93 0.00 0.00 57.85 52.40 3i8v n ARG 328 Cb 0.00 -2.31 0.07 0.00 -1.16 0.00 0.00 32.46 29.06 3i8v n ARG 328 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3i8v h SER 329 N 3.34 0.64 -0.17 0.55 4.64 -1.85 -1.03 113.55 119.67 3i8v h SER 329 Ca 0.54 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.80 3i8v h SER 329 Cb 0.24 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3i8v h SER 329 CO 1.28 0.44 -0.13 0.25 -0.87 0.00 0.00 176.83 177.80 3i8v h LEU 330 N 0.77 0.40 -0.29 5.97 5.85 -1.84 -0.84 115.31 125.34 3i8v h LEU 330 Ca 0.27 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 3i8v h LEU 330 Cb 0.04 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3i8v h LEU 330 CO -0.11 0.77 0.15 0.74 -0.34 0.00 0.00 178.44 179.65 3i8v h THR 331 N 0.04 1.13 0.61 1.05 2.02 -1.82 -1.63 112.91 114.31 3i8v h THR 331 Ca 0.03 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 3i8v h THR 331 Cb 0.64 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 3i8v h THR 331 CO 0.03 0.13 -0.47 0.00 0.37 0.00 0.00 175.52 175.58 3i8v h ILE 333 N -1.05 1.24 -0.38 0.00 6.09 -1.18 -0.73 117.51 121.50 3i8v h ILE 333 Ca -0.08 -0.66 -0.03 0.00 -1.37 0.00 0.00 64.86 62.72 3i8v h ILE 333 Cb 0.88 0.34 -0.02 0.00 0.47 0.00 0.00 36.82 38.49 3i8v h ILE 333 CO 0.02 0.28 0.11 -0.03 -3.07 0.00 0.00 178.15 175.45 3i8v h MET 334 N 1.01 0.59 -0.22 2.19 4.05 -1.29 0.42 114.93 121.69 3i8v h MET 334 Ca 0.25 -0.13 0.05 0.00 -0.28 0.00 0.00 59.70 59.59 3i8v h MET 334 Cb 0.12 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 30.78 3i8v h MET 334 CO -0.03 0.61 -0.11 -0.92 0.23 0.00 0.00 176.91 176.68 3i8v h TYR 335 N 0.46 -0.27 -0.74 1.39 3.20 -0.90 -1.06 116.97 119.05 3i8v h TYR 335 Ca 0.12 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 3i8v h TYR 335 Cb 0.27 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 3i8v h TYR 335 CO 0.01 -0.17 0.30 0.52 -1.64 0.00 0.00 178.16 177.18 3i8v h MET 336 N -0.09 1.08 -0.55 1.82 2.86 -0.79 -1.34 114.93 117.92 3i8v h MET 336 Ca 0.12 -0.18 -0.11 0.00 -2.06 0.00 0.00 59.70 57.47 3i8v h MET 336 Cb 0.27 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 3i8v h MET 336 CO -0.28 0.87 -0.10 0.82 1.06 0.00 0.00 176.91 179.28 3i8v h ILE 337 N 1.06 1.27 -0.29 -1.22 2.04 -0.71 0.73 117.51 120.40 3i8v h ILE 337 Ca 0.25 -1.26 -0.12 0.00 1.00 0.00 0.00 64.86 64.73 3i8v h ILE 337 Cb 0.18 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3i8v h ILE 337 CO -0.02 0.45 -0.33 -0.26 0.00 0.00 0.00 178.15 177.98 3i8v h PHE 338 N 0.92 0.72 -0.07 1.37 -1.00 -0.68 -0.97 116.94 117.22 3i8v h PHE 338 Ca 0.14 -0.19 -0.01 0.00 2.81 0.00 0.00 57.97 60.73 3i8v h PHE 338 Cb 0.67 -0.16 -0.00 0.00 3.61 0.00 0.00 35.95 40.06 3i8v h PHE 338 CO 0.05 0.87 -0.00 1.96 -1.61 0.00 0.00 178.31 179.57 3i8v h GLN 339 N 0.52 0.13 -0.97 1.51 1.08 -1.17 0.13 115.11 116.35 3i8v h GLN 339 Ca 0.06 -0.04 0.16 0.00 -1.45 0.00 0.00 58.65 57.37 3i8v h GLN 339 Cb 0.82 -0.01 -0.10 0.00 -0.05 0.00 0.00 27.48 28.15 3i8v h GLN 339 CO 0.07 0.41 0.58 1.49 -0.95 0.00 0.00 178.83 180.43 3i8v h GLU 340 N -0.16 0.77 -0.43 1.46 4.57 -0.64 0.76 114.58 120.91 3i8v h GLU 340 Ca 0.02 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3i8v h GLU 340 Cb 0.35 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 3i8v h GLU 340 CO 0.00 0.51 0.00 0.54 -1.18 0.00 0.00 179.01 178.89 3i8v n ARG 341 N -4.75 2.39 -2.61 1.92 1.74 -0.39 -4.94 116.66 110.02 3i8v n ARG 341 Ca 0.21 -2.11 -0.19 0.00 -0.77 0.00 0.00 57.85 54.98 3i8v n ARG 341 Cb 0.48 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 3i8v n ARG 341 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3i8v n ASP 342 N 1.28 -5.26 0.20 0.55 2.03 0.26 -4.89 116.55 110.72 3i8v n ASP 342 Ca 0.20 -0.05 0.07 0.00 0.52 0.00 0.00 54.79 55.53 3i8v n ASP 342 Cb 0.55 -4.37 0.40 0.00 -0.72 0.00 0.00 41.12 36.98 3i8v n ASP 342 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3i8v h LEU 343 N -0.36 0.00 -0.39 -2.67 3.38 -1.04 -2.16 115.31 112.06 3i8v h LEU 343 Ca -0.45 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 3i8v h LEU 343 Cb 1.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 3i8v h LEU 343 CO 0.52 0.32 0.18 -0.07 0.09 0.00 0.00 178.44 179.47 3i8v h LEU 344 N 0.00 0.52 -0.27 1.67 3.38 -1.87 -2.35 115.31 116.40 3i8v h LEU 344 Ca -0.00 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.68 3i8v h LEU 344 Cb 0.80 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3i8v h LEU 344 CO 0.04 0.52 -0.38 0.11 0.09 0.00 0.00 178.44 178.82 3i8v h LYS 345 N 0.49 0.73 -0.12 1.13 1.57 -1.84 0.20 116.57 118.73 3i8v h LYS 345 Ca 0.13 -0.43 -0.00 0.00 -1.87 0.00 0.00 60.65 58.48 3i8v h LYS 345 Cb 0.15 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3i8v h LYS 345 CO -0.01 1.05 0.05 0.87 -0.57 0.00 0.00 179.45 180.84 3i8v h LYS 346 N 0.47 0.16 0.00 3.15 1.57 -1.34 -2.85 116.57 117.73 3i8v h LYS 346 Ca 0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3i8v h LYS 346 Cb 0.97 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.25 3i8v h LYS 346 CO 0.09 0.13 -0.01 1.19 -0.57 0.00 0.00 179.45 180.29 3i8v n PHE 347 N -4.49 0.00 -3.59 -1.35 3.72 -0.89 -5.02 117.46 105.84 3i8v n PHE 347 Ca -0.01 -0.59 -0.20 0.00 -0.05 0.00 0.00 57.45 56.60 3i8v n PHE 347 Cb 0.10 -0.07 0.06 0.00 -0.94 0.00 0.00 39.48 38.63 3i8v n PHE 347 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3i8v n ARG 348 N -0.70 -5.54 -3.43 -1.08 1.74 0.42 -4.49 116.66 103.58 3i8v n ARG 348 Ca 0.04 0.71 -0.41 0.00 -0.77 0.00 0.00 57.85 57.42 3i8v n ARG 348 Cb 0.36 -5.45 -0.10 0.00 -1.02 0.00 0.00 32.46 26.26 3i8v n ARG 348 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3i8v s ILE 349 N -3.54 5.20 0.28 0.55 1.01 0.33 -4.58 121.20 120.45 3i8v s ILE 349 Ca 0.01 -0.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.21 3i8v s ILE 349 Cb -0.00 -3.83 -0.11 0.00 0.01 0.00 0.00 42.46 38.52 3i8v s ILE 349 CO 0.78 -0.13 1.61 -2.84 0.00 0.00 0.00 174.94 174.35 3i8v s PRO 350 N 1.92 4.12 0.19 2.79 0.02 -1.26 -4.77 135.00 138.01 3i8v s PRO 350 Ca 0.10 2.58 -0.12 0.00 0.02 0.00 0.00 61.00 63.57 3i8v s PRO 350 Cb -0.17 -3.03 0.15 0.00 0.02 0.00 0.00 34.50 31.47 3i8v s PRO 350 CO 0.11 -0.64 1.79 -0.39 -0.33 0.00 0.00 177.00 177.54 3i8v h VAL 351 N 3.45 0.97 -0.92 3.83 -1.51 -1.96 -0.85 116.25 119.26 3i8v h VAL 351 Ca -0.46 -0.19 0.01 0.00 -1.23 0.00 0.00 66.70 64.82 3i8v h VAL 351 Cb 1.22 0.37 -0.05 0.00 -2.13 0.00 0.00 31.29 30.70 3i8v h VAL 351 CO 0.82 0.10 0.61 -2.24 -1.23 0.00 0.00 177.57 175.63 3i8v h ASP 352 N 0.56 1.06 -0.63 4.19 -0.00 -1.93 -0.28 116.42 119.38 3i8v h ASP 352 Ca 0.24 -0.03 -0.05 0.00 -0.00 0.00 0.00 57.03 57.19 3i8v h ASP 352 Cb 0.13 -0.26 -0.03 0.00 -0.00 0.00 0.00 39.33 39.17 3i8v h ASP 352 CO -0.15 0.76 0.19 0.74 -0.00 0.00 0.00 179.24 180.78 3i8v h THR 353 N 1.25 1.25 0.14 1.15 2.02 -1.59 -0.66 112.91 116.46 3i8v h THR 353 Ca 0.34 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 3i8v h THR 353 Cb -0.14 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 3i8v h THR 353 CO -0.08 0.33 -0.07 -0.03 0.37 0.00 0.00 175.52 176.04 3i8v h MET 354 N 0.91 -0.18 -0.44 6.66 1.85 -0.48 -1.55 114.93 121.70 3i8v h MET 354 Ca 0.20 0.01 0.01 0.00 -0.61 0.00 0.00 59.70 59.32 3i8v h MET 354 Cb 0.30 0.04 -0.03 0.00 0.43 0.00 0.00 31.60 32.35 3i8v h MET 354 CO -0.01 -0.04 0.27 0.28 -0.40 0.00 0.00 176.91 177.01 3i8v h VAL 355 N -0.28 1.07 -0.21 -5.77 2.07 -1.01 -0.10 116.25 112.02 3i8v h VAL 355 Ca -0.02 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 3i8v h VAL 355 Cb 0.22 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3i8v h VAL 355 CO 0.03 0.10 0.12 0.74 0.02 0.00 0.00 177.57 178.59 3i8v h THR 356 N 0.56 1.09 -0.61 2.57 2.02 -1.04 -1.24 112.91 116.26 3i8v h THR 356 Ca 0.17 -0.23 0.04 0.00 0.77 0.00 0.00 66.41 67.17 3i8v h THR 356 Cb -0.02 0.86 -0.05 0.00 -1.74 0.00 0.00 68.15 67.20 3i8v h THR 356 CO -0.06 0.09 0.35 0.22 0.37 0.00 0.00 175.52 176.49 3i8v h TYR 357 N 0.25 0.65 -0.38 3.16 3.20 -1.06 -1.37 116.97 121.42 3i8v h TYR 357 Ca 0.08 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 3i8v h TYR 357 Cb 0.03 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 3i8v h TYR 357 CO -0.05 0.34 0.04 0.52 -1.64 0.00 0.00 178.16 177.38 3i8v h MET 358 N 0.68 0.64 -0.84 1.82 2.86 -0.44 0.18 114.93 119.83 3i8v h MET 358 Ca 0.26 -0.18 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 3i8v h MET 358 Cb 0.11 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 3i8v h MET 358 CO -0.14 0.71 0.43 -0.07 1.06 0.00 0.00 176.91 178.90 3i8v h LEU 359 N 0.48 1.08 -0.31 1.22 3.38 -1.18 0.24 115.31 120.22 3i8v h LEU 359 Ca 0.11 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3i8v h LEU 359 Cb 0.39 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3i8v h LEU 359 CO 0.01 0.89 0.06 0.74 0.09 0.00 0.00 178.44 180.23 3i8v h THR 360 N 1.19 1.23 -0.02 0.22 2.02 -0.79 -1.44 112.91 115.32 3i8v h THR 360 Ca 0.29 -0.79 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3i8v h THR 360 Cb 0.08 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 3i8v h THR 360 CO -0.04 0.26 0.02 0.25 0.37 0.00 0.00 175.52 176.38 3i8v h LEU 361 N 0.34 0.03 -1.08 2.58 5.85 -0.32 -2.73 115.31 119.99 3i8v h LEU 361 Ca 0.09 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 3i8v h LEU 361 Cb 0.33 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3i8v h LEU 361 CO 0.00 0.04 0.18 -0.08 -0.34 0.00 0.00 178.44 178.25 3i8v h GLU 362 N 0.01 0.83 0.00 1.25 4.81 -0.92 -0.38 114.58 120.18 3i8v h GLU 362 Ca 0.01 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3i8v h GLU 362 Cb 0.02 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.26 3i8v h GLU 362 CO -0.00 0.72 0.00 -0.44 -0.73 0.00 0.00 179.01 178.56 3i8v h ASP 363 N 0.81 0.00 -0.05 1.04 3.45 -1.15 -2.09 116.42 118.43 3i8v h ASP 363 Ca 0.19 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.65 3i8v h ASP 363 Cb 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.00 3i8v h ASP 363 CO -0.01 0.00 0.00 1.41 -1.57 0.00 0.00 179.24 179.07 3i8v n HIS 364 N -2.55 0.04 -3.18 4.55 8.25 -0.16 -4.74 115.22 117.43 3i8v n HIS 364 Ca 0.01 -0.02 -0.39 0.00 -0.26 0.00 0.00 57.72 57.06 3i8v n HIS 364 Cb 0.21 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.26 3i8v n HIS 364 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3i8v s TYR 365 N -1.96 3.78 -0.01 4.41 1.51 -0.79 -1.20 117.35 123.09 3i8v s TYR 365 Ca 0.36 1.32 -0.27 0.00 -1.01 0.00 0.00 57.07 57.47 3i8v s TYR 365 Cb 0.20 -2.60 -0.04 0.00 -0.11 0.00 0.00 41.96 39.42 3i8v s TYR 365 CO 0.32 0.48 0.85 -1.01 -1.11 0.00 0.00 175.55 175.07 3i8v s HIS 366 N -0.73 3.66 0.22 2.71 3.76 -1.26 -4.77 115.29 118.88 3i8v s HIS 366 Ca 0.31 1.52 0.12 0.00 -0.15 0.00 0.00 55.06 56.87 3i8v s HIS 366 Cb -0.20 -2.96 0.37 0.00 1.11 0.00 0.00 32.58 30.91 3i8v s HIS 366 CO 0.20 0.09 1.61 0.00 -0.85 0.00 0.00 174.74 175.78 3i8v h ALA 367 N 6.50 0.92 -0.26 -1.40 0.00 -1.94 -3.24 119.26 119.84 3i8v h ALA 367 Ca -0.42 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 53.96 3i8v h ALA 367 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3i8v h ALA 367 CO 0.74 0.74 0.00 -0.40 0.00 0.00 0.00 179.25 180.33 3i8v n ASP 368 N -3.68 1.81 -4.59 0.00 5.75 -1.26 -4.75 116.55 109.84 3i8v n ASP 368 Ca -0.01 -2.09 -0.36 0.00 -0.01 0.00 0.00 54.79 52.32 3i8v n ASP 368 Cb 0.62 -0.28 -0.11 0.00 -1.03 0.00 0.00 41.12 40.33 3i8v n ASP 368 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3i8v s VAL 369 N -1.64 4.95 0.26 2.12 1.01 -1.22 -5.01 120.40 120.88 3i8v s VAL 369 Ca 0.19 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.24 3i8v s VAL 369 Cb 0.11 -3.30 0.02 0.00 0.00 0.00 0.00 36.38 33.21 3i8v s VAL 369 CO 0.11 0.36 1.65 0.00 0.00 0.00 0.00 175.10 177.22 3i8v h ALA 370 N 7.62 0.99 0.00 5.51 0.00 -1.85 -3.38 119.26 128.15 3i8v h ALA 370 Ca -0.37 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.02 3i8v h ALA 370 Cb 1.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3i8v h ALA 370 CO 0.63 0.62 -1.10 0.98 0.00 0.00 0.00 179.25 180.38 3i8v n TYR 371 N -4.03 0.00 -1.39 0.00 9.36 -1.25 -4.79 117.16 115.06 3i8v n TYR 371 Ca -0.01 0.00 -0.38 0.00 3.32 0.00 0.00 57.90 60.82 3i8v n TYR 371 Cb 0.49 -0.27 -0.03 0.00 -0.63 0.00 0.00 39.34 38.90 3i8v n TYR 371 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3i8v n HIS 372 N -3.55 2.37 -3.75 2.98 8.25 -1.26 -4.24 115.22 116.01 3i8v n HIS 372 Ca -0.13 -3.01 -0.16 0.00 -0.26 0.00 0.00 57.72 54.15 3i8v n HIS 372 Cb 0.47 -2.38 -0.00 0.00 1.12 0.00 0.00 29.99 29.19 3i8v n HIS 372 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3i8v n ASN 373 N 3.30 2.11 0.30 0.41 0.23 -1.26 -4.52 115.26 115.82 3i8v n ASN 373 Ca 0.76 -2.18 0.17 0.00 -0.53 0.00 0.00 54.58 52.79 3i8v n ASN 373 Cb 0.25 -0.02 0.91 0.00 -2.08 0.00 0.00 39.78 38.85 3i8v n ASN 373 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3i8v h SER 374 N 0.42 0.00 -0.77 0.53 4.64 -1.86 -1.91 113.55 114.60 3i8v h SER 374 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3i8v h SER 374 Cb 0.79 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.84 3i8v h SER 374 CO 0.34 0.04 0.49 0.25 -0.87 0.00 0.00 176.83 177.08 3i8v h LEU 375 N 0.00 0.91 -0.62 5.97 5.85 -1.92 0.16 115.31 125.65 3i8v h LEU 375 Ca -0.00 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 3i8v h LEU 375 Cb 0.17 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3i8v h LEU 375 CO 0.01 0.68 0.28 -0.74 -0.34 0.00 0.00 178.44 178.33 3i8v h HIS 376 N 1.05 0.91 -0.29 1.25 2.76 -1.52 -0.50 115.15 118.80 3i8v h HIS 376 Ca 0.28 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.38 3i8v h HIS 376 Cb -0.07 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 28.59 3i8v h HIS 376 CO -0.01 0.70 0.14 0.00 -1.30 0.00 0.00 177.93 177.46 3i8v h ALA 377 N 1.12 0.38 -0.40 5.26 0.00 -1.33 -0.84 119.26 123.44 3i8v h ALA 377 Ca 0.21 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.09 3i8v h ALA 377 Cb 0.15 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3i8v h ALA 377 CO -0.02 -0.05 0.04 0.00 0.00 0.00 0.00 179.25 179.21 3i8v h ALA 378 N 0.99 0.40 -0.30 0.00 0.00 -0.55 -0.55 119.26 119.24 3i8v h ALA 378 Ca 0.10 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.17 3i8v h ALA 378 Cb 0.13 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3i8v h ALA 378 CO -0.01 -0.36 -0.05 0.22 0.00 0.00 0.00 179.25 179.04 3i8v h ASP 379 N 0.15 -0.24 -0.44 0.00 3.58 -0.86 -0.49 116.42 118.12 3i8v h ASP 379 Ca 0.19 0.08 -0.14 0.00 0.42 0.00 0.00 57.03 57.59 3i8v h ASP 379 Cb 0.26 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 3i8v h ASP 379 CO -0.29 -0.08 -0.25 0.58 -2.88 0.00 0.00 179.24 176.32 3i8v h VAL 380 N 0.02 1.27 -0.04 2.25 2.07 -0.57 -1.23 116.25 120.03 3i8v h VAL 380 Ca 0.14 -1.41 0.01 0.00 0.82 0.00 0.00 66.70 66.26 3i8v h VAL 380 Cb 0.21 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3i8v h VAL 380 CO -0.29 0.48 -0.01 0.25 0.02 0.00 0.00 177.57 178.03 3i8v h LEU 381 N 0.82 -0.03 -0.72 2.57 6.46 -0.97 -0.79 115.31 122.66 3i8v h LEU 381 Ca 0.10 0.01 -0.08 0.00 -0.12 0.00 0.00 57.88 57.79 3i8v h LEU 381 Cb 0.83 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.75 3i8v h LEU 381 CO 0.07 -0.01 0.09 -0.61 -0.62 0.00 0.00 178.44 177.36 3i8v h GLN 382 N 0.00 1.08 -0.43 1.25 -0.00 -0.87 0.01 115.11 116.14 3i8v h GLN 382 Ca 0.02 -0.29 -0.01 0.00 -0.00 0.00 0.00 58.65 58.37 3i8v h GLN 382 Cb 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 27.48 27.36 3i8v h GLN 382 CO -0.04 0.99 0.22 0.77 0.00 0.00 0.00 178.83 180.78 3i8v h SER 383 N 1.01 0.55 -0.12 -0.69 0.02 -1.16 -1.43 113.55 111.72 3i8v h SER 383 Ca 0.20 -0.11 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3i8v h SER 383 Cb 0.45 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 3i8v h SER 383 CO 0.01 0.50 0.03 0.74 -1.14 0.00 0.00 176.83 176.98 3i8v h THR 384 N 0.56 0.96 -0.73 -2.27 2.02 -0.93 0.13 112.91 112.65 3i8v h THR 384 Ca 0.15 -0.03 0.16 0.00 0.77 0.00 0.00 66.41 67.46 3i8v h THR 384 Cb 0.08 0.86 -0.11 0.00 -1.74 0.00 0.00 68.15 67.25 3i8v h THR 384 CO -0.02 0.02 0.17 -0.74 0.37 0.00 0.00 175.52 175.31 3i8v h HIS 385 N 0.09 0.25 -0.16 3.16 -0.00 -0.79 0.16 115.15 117.87 3i8v h HIS 385 Ca 0.05 0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 60.42 3i8v h HIS 385 Cb 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.44 3i8v h HIS 385 CO -0.11 -0.09 -0.07 0.28 -0.00 0.00 0.00 177.93 177.94 3i8v h VAL 386 N 0.26 1.31 -0.57 5.26 2.07 -0.80 -3.12 116.25 120.66 3i8v h VAL 386 Ca 0.41 -1.09 0.05 0.00 0.82 0.00 0.00 66.70 66.89 3i8v h VAL 386 Cb 0.69 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 3i8v h VAL 386 CO -0.51 0.32 0.38 -0.07 0.02 0.00 0.00 177.57 177.71 3i8v h LEU 387 N 0.00 0.50 -1.84 2.57 3.38 -0.20 -1.01 115.31 118.71 3i8v h LEU 387 Ca 0.04 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3i8v h LEU 387 Cb 0.53 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3i8v h LEU 387 CO 0.02 0.33 -0.12 -0.07 0.09 0.00 0.00 178.44 178.69 3i8v h LEU 388 N 0.57 0.00 -1.18 1.67 3.38 -0.64 -2.88 115.31 116.23 3i8v h LEU 388 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3i8v h LEU 388 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3i8v h LEU 388 CO -0.07 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.58 3i8v n ALA 389 N -2.45 2.52 -1.82 1.53 0.00 -0.39 -4.80 120.51 115.10 3i8v n ALA 389 Ca -0.02 -0.55 -0.42 0.00 0.00 0.00 0.00 53.44 52.45 3i8v n ALA 389 Cb 0.20 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 3i8v n ALA 389 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3i8v s THR 390 N -1.79 2.50 0.33 0.00 -1.32 -1.09 -4.87 115.64 109.39 3i8v s THR 390 Ca 0.33 0.23 0.11 0.00 -1.21 0.00 0.00 61.69 61.15 3i8v s THR 390 Cb 0.18 -3.15 0.32 0.00 -1.51 0.00 0.00 72.50 68.34 3i8v s THR 390 CO 0.27 0.01 1.69 -0.65 -2.21 0.00 0.00 174.62 173.73 3i8v h PRO 391 N 7.53 0.41 0.00 7.08 0.11 -1.92 0.31 132.00 145.52 3i8v h PRO 391 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3i8v h PRO 391 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3i8v h PRO 391 CO 0.94 0.27 0.00 0.00 -0.21 0.00 0.00 178.00 179.00 3i8v n ALA 392 N -2.34 1.42 -0.19 -0.75 0.00 -1.26 -1.84 120.51 115.55 3i8v n ALA 392 Ca 0.28 0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.92 3i8v n ALA 392 Cb 0.85 -1.34 0.22 0.00 0.00 0.00 0.00 19.45 19.18 3i8v n ALA 392 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i8v n LEU 393 N -2.16 3.32 -4.70 0.00 4.77 0.11 -0.67 117.00 117.67 3i8v n LEU 393 Ca 0.01 -1.92 -0.44 0.00 -0.03 0.00 0.00 56.01 53.63 3i8v n LEU 393 Cb 0.15 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 3i8v n LEU 393 CO 0.15 0.82 1.18 -0.67 -1.33 0.00 0.00 177.39 177.54 3i8v n ASP 394 N 1.02 3.34 -0.38 -1.43 -0.08 -0.77 -1.53 116.55 116.73 3i8v n ASP 394 Ca 0.17 1.11 -0.05 0.00 -1.51 0.00 0.00 54.79 54.51 3i8v n ASP 394 Cb 0.51 -1.49 -0.02 0.00 2.34 0.00 0.00 41.12 42.45 3i8v n ASP 394 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3i8v n ALA 395 N 2.75 -0.07 -0.00 -1.67 0.00 -1.26 -4.87 120.51 115.39 3i8v n ALA 395 Ca 0.13 0.07 -0.17 0.00 0.00 0.00 0.00 53.44 53.48 3i8v n ALA 395 Cb 0.33 -1.48 -0.11 0.00 0.00 0.00 0.00 19.45 18.19 3i8v n ALA 395 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i8v h VAL 396 N 0.00 1.44 -2.77 0.00 2.07 -1.63 -3.46 116.25 111.89 3i8v h VAL 396 Ca -0.09 -2.04 -0.67 0.00 0.82 0.00 0.00 66.70 64.72 3i8v h VAL 396 Cb 0.98 2.59 -0.08 0.00 -1.52 0.00 0.00 31.29 33.26 3i8v h VAL 396 CO 0.14 0.59 -0.50 -0.36 0.02 0.00 0.00 177.57 177.45 3i8v s PHE 397 N -3.24 3.52 1.04 1.57 0.08 -1.26 -5.02 117.98 114.68 3i8v s PHE 397 Ca -0.13 0.45 -0.13 0.00 0.12 0.00 0.00 56.93 57.24 3i8v s PHE 397 Cb 0.03 -1.89 0.21 0.00 -0.57 0.00 0.00 43.02 40.80 3i8v s PHE 397 CO 0.81 0.68 1.08 0.95 -0.10 0.00 0.00 175.22 178.65 3i8v s THR 398 N -1.07 2.01 0.35 0.64 -4.23 -1.26 -4.84 115.64 107.24 3i8v s THR 398 Ca 0.17 0.00 0.04 0.00 -1.18 0.00 0.00 61.69 60.72 3i8v s THR 398 Cb -0.12 -2.43 0.20 0.00 1.34 0.00 0.00 72.50 71.50 3i8v s THR 398 CO 0.07 -0.00 1.94 0.44 -0.54 0.00 0.00 174.62 176.52 3i8v h ASP 399 N -2.05 0.58 -0.32 3.99 3.32 -1.99 -2.11 116.42 117.84 3i8v h ASP 399 Ca -0.56 -0.07 -0.06 0.00 0.02 0.00 0.00 57.03 56.36 3i8v h ASP 399 Cb 1.33 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 3i8v h ASP 399 CO 0.57 0.54 -0.04 0.25 -1.72 0.00 0.00 179.24 178.84 3i8v h LEU 400 N 0.64 0.59 -1.00 1.55 5.85 -1.99 0.54 115.31 121.49 3i8v h LEU 400 Ca 0.15 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 3i8v h LEU 400 Cb 0.15 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 3i8v h LEU 400 CO -0.01 0.79 0.56 -0.33 -0.34 0.00 0.00 178.44 179.11 3i8v h GLU 401 N 0.38 1.25 -0.28 1.25 5.08 -1.89 -0.08 114.58 120.29 3i8v h GLU 401 Ca 0.09 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3i8v h GLU 401 Cb 0.51 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 3i8v h GLU 401 CO 0.02 0.86 0.09 0.82 -1.00 0.00 0.00 179.01 179.81 3i8v h ILE 402 N 1.27 1.19 -0.24 3.13 2.04 -1.18 -1.46 117.51 122.27 3i8v h ILE 402 Ca 0.33 -0.62 0.03 0.00 1.00 0.00 0.00 64.86 65.61 3i8v h ILE 402 Cb -0.07 1.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3i8v h ILE 402 CO -0.06 0.21 0.05 0.25 0.00 0.00 0.00 178.15 178.59 3i8v h LEU 403 N 0.29 0.01 -0.42 1.44 5.85 -0.51 -1.98 115.31 120.00 3i8v h LEU 403 Ca 0.09 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.91 3i8v h LEU 403 Cb 0.23 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 3i8v h LEU 403 CO -0.00 0.04 0.10 0.00 -0.34 0.00 0.00 178.44 178.24 3i8v h ALA 404 N 1.17 0.47 -0.51 1.25 0.00 -0.95 -0.69 119.26 120.00 3i8v h ALA 404 Ca 0.11 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3i8v h ALA 404 Cb 0.11 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3i8v h ALA 404 CO -0.14 -0.30 0.32 0.00 0.00 0.00 0.00 179.25 179.14 3i8v h ALA 405 N 1.30 0.65 -0.27 0.00 0.00 -0.87 0.20 119.26 120.28 3i8v h ALA 405 Ca 0.20 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 3i8v h ALA 405 Cb 0.23 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 3i8v h ALA 405 CO -0.24 0.05 -0.52 -0.07 0.00 0.00 0.00 179.25 178.47 3i8v h LEU 406 N 0.65 0.87 -0.24 0.00 3.38 -1.16 -0.58 115.31 118.23 3i8v h LEU 406 Ca 0.20 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 3i8v h LEU 406 Cb -0.04 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 3i8v h LEU 406 CO -0.06 1.22 0.04 0.15 0.09 0.00 0.00 178.44 179.87 3i8v h PHE 407 N 0.61 0.42 -0.37 1.13 3.57 -0.83 -1.43 116.94 120.03 3i8v h PHE 407 Ca 0.02 -0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.50 3i8v h PHE 407 Cb 1.10 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 3i8v h PHE 407 CO 0.06 0.52 0.16 0.00 -2.23 0.00 0.00 178.31 176.83 3i8v h ALA 408 N 0.85 0.45 -0.97 2.41 0.00 -0.48 -1.92 119.26 119.59 3i8v h ALA 408 Ca 0.07 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3i8v h ALA 408 Cb 0.33 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3i8v h ALA 408 CO 0.01 -0.22 0.62 0.00 0.00 0.00 0.00 179.25 179.66 3i8v h ALA 409 N 1.22 1.23 -0.23 0.00 0.00 -1.00 -0.99 119.26 119.50 3i8v h ALA 409 Ca 0.16 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3i8v h ALA 409 Cb 0.11 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3i8v h ALA 409 CO -0.14 0.65 -0.30 0.00 0.00 0.00 0.00 179.25 179.46 3i8v h ALA 410 N 1.34 1.06 -0.01 0.00 0.00 -0.61 -3.20 119.26 117.84 3i8v h ALA 410 Ca 0.35 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3i8v h ALA 410 Cb -0.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3i8v h ALA 410 CO -0.07 0.58 -0.45 0.44 0.00 0.00 0.00 179.25 179.75 3i8v n ILE 411 N -4.09 0.00 0.32 0.00 -5.35 -0.78 -4.71 119.36 104.74 3i8v n ILE 411 Ca -0.01 -0.25 0.20 0.00 -0.27 0.00 0.00 62.75 62.43 3i8v n ILE 411 Cb 0.44 1.16 1.11 0.00 -1.74 0.00 0.00 39.64 40.61 3i8v n ILE 411 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 3i8v h HIS 412 N 2.34 0.00 0.00 4.28 2.07 -1.17 -1.98 115.15 120.69 3i8v h HIS 412 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3i8v h HIS 412 Cb 0.73 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.71 3i8v h HIS 412 CO 0.00 0.00 -0.16 -0.25 -3.07 0.00 0.00 177.93 174.45 3i8v n ASP 413 N -3.32 1.39 -4.77 3.10 8.00 -1.26 -4.84 116.55 114.85 3i8v n ASP 413 Ca -0.03 -2.46 -0.41 0.00 0.71 0.00 0.00 54.79 52.60 3i8v n ASP 413 Cb 0.09 -0.27 -0.00 0.00 -0.02 0.00 0.00 41.12 40.92 3i8v n ASP 413 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3i8v n VAL 414 N -0.77 1.83 -2.43 2.53 3.14 -0.74 -2.27 118.33 119.61 3i8v n VAL 414 Ca 0.08 -0.46 -0.16 0.00 -2.96 0.00 0.00 64.34 60.84 3i8v n VAL 414 Cb 0.60 -1.95 0.00 0.00 -1.06 0.00 0.00 33.84 31.43 3i8v n VAL 414 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 3i8v n ASP 415 N 0.76 -4.81 -4.69 6.55 2.03 -0.34 -4.42 116.55 111.62 3i8v n ASP 415 Ca 0.03 -0.07 -0.42 0.00 0.52 0.00 0.00 54.79 54.85 3i8v n ASP 415 Cb 0.38 -3.87 -0.03 0.00 -0.72 0.00 0.00 41.12 36.89 3i8v n ASP 415 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3i8v s HIS 416 N -2.85 2.93 -1.46 -0.67 5.65 -0.96 -4.91 115.29 113.02 3i8v s HIS 416 Ca 0.06 0.87 0.30 0.00 0.25 0.00 0.00 55.06 56.54 3i8v s HIS 416 Cb -0.03 -3.64 1.54 0.00 -1.18 0.00 0.00 32.58 29.28 3i8v s HIS 416 CO 0.07 -2.33 2.07 -0.35 -0.65 0.00 0.00 174.74 173.55 3i8v n PRO 417 N 5.17 0.46 -0.69 2.88 -0.04 -1.26 -4.63 135.00 136.89 3i8v n PRO 417 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 3i8v n PRO 417 Cb 0.44 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 3i8v n PRO 417 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i8v n GLY 418 N 1.27 0.60 3.06 0.55 0.00 -1.26 -5.00 105.19 104.40 3i8v n GLY 418 Ca 0.15 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 3i8v n GLY 418 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i8v s VAL 419 N -2.00 0.52 1.04 1.61 -7.23 -1.26 -4.61 120.40 108.47 3i8v s VAL 419 Ca 0.00 -1.04 -0.13 0.00 -1.81 0.00 0.00 61.98 59.00 3i8v s VAL 419 Cb 0.00 -0.59 0.21 0.00 0.56 0.00 0.00 36.38 36.56 3i8v s VAL 419 CO 0.00 -0.36 1.09 -0.94 -0.31 0.00 0.00 175.10 174.58 3i8v s SER 420 N -1.52 2.29 0.24 4.85 1.04 -1.26 -4.90 113.70 114.43 3i8v s SER 420 Ca -0.10 1.14 -0.05 0.00 0.48 0.00 0.00 55.95 57.42 3i8v s SER 420 Cb -0.10 -1.78 0.34 0.00 0.10 0.00 0.00 66.02 64.58 3i8v s SER 420 CO 0.00 -3.34 1.83 0.78 0.98 0.00 0.00 173.24 173.50 3i8v h ASN 421 N -2.03 0.74 -0.63 7.02 2.35 -2.01 -2.63 115.58 118.39 3i8v h ASN 421 Ca -0.55 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.23 3i8v h ASN 421 Cb 1.33 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.55 3i8v h ASN 421 CO 0.56 0.46 0.39 -0.61 -1.65 0.00 0.00 177.43 176.58 3i8v h GLN 422 N 0.87 0.85 -0.55 0.81 5.75 -1.97 0.43 115.11 121.29 3i8v h GLN 422 Ca 0.37 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.75 3i8v h GLN 422 Cb 0.24 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 3i8v h GLN 422 CO -0.20 0.58 0.13 0.35 -2.65 0.00 0.00 178.83 177.04 3i8v h PHE 423 N 0.87 0.93 -0.38 3.99 3.04 -1.83 0.17 116.94 123.73 3i8v h PHE 423 Ca 0.23 -0.11 -0.09 0.00 3.98 0.00 0.00 57.97 61.98 3i8v h PHE 423 Cb -0.06 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.18 3i8v h PHE 423 CO 0.00 0.81 -0.13 -0.07 -2.02 0.00 0.00 178.31 176.89 3i8v h LEU 424 N 0.78 0.67 -0.13 0.59 3.38 -1.19 -1.99 115.31 117.42 3i8v h LEU 424 Ca 0.17 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3i8v h LEU 424 Cb 0.35 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3i8v h LEU 424 CO 0.00 0.83 -0.08 0.40 0.09 0.00 0.00 178.44 179.68 3i8v h ILE 425 N 0.62 1.33 -0.01 1.22 2.04 -0.62 -2.22 117.51 119.87 3i8v h ILE 425 Ca 0.10 -1.14 -0.05 0.00 1.00 0.00 0.00 64.86 64.77 3i8v h ILE 425 Cb 0.58 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 3i8v h ILE 425 CO 0.04 0.33 -0.25 0.78 0.00 0.00 0.00 178.15 179.05 3i8v h ASN 426 N -0.07 0.01 -0.07 1.72 2.35 -0.59 -2.29 115.58 116.64 3i8v h ASN 426 Ca 0.03 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3i8v h ASN 426 Cb 0.56 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.92 3i8v h ASN 426 CO 0.02 0.26 0.00 0.35 -1.65 0.00 0.00 177.43 176.42 3i8v n THR 427 N -4.24 0.08 -3.89 2.81 -2.24 -0.76 -4.94 114.28 101.11 3i8v n THR 427 Ca -0.02 -0.20 -0.27 0.00 -2.27 0.00 0.00 64.05 61.29 3i8v n THR 427 Cb 0.31 0.14 0.01 0.00 -2.10 0.00 0.00 70.33 68.69 3i8v n THR 427 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3i8v n ASN 428 N -0.13 -2.08 -4.78 3.42 3.02 -0.86 -4.95 115.26 108.89 3i8v n ASN 428 Ca 0.17 -0.89 -0.34 0.00 -0.03 0.00 0.00 54.58 53.49 3i8v n ASN 428 Cb 0.25 -3.56 0.01 0.00 -0.61 0.00 0.00 39.78 35.88 3i8v n ASN 428 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3i8v s SER 429 N -3.97 5.58 0.32 6.41 1.04 -0.84 -4.85 113.70 117.39 3i8v s SER 429 Ca 0.26 2.07 0.09 0.00 0.48 0.00 0.00 55.95 58.85 3i8v s SER 429 Cb -0.13 -2.57 0.94 0.00 0.10 0.00 0.00 66.02 64.36 3i8v s SER 429 CO 0.85 -1.31 1.64 -0.08 0.98 0.00 0.00 173.24 175.32 3i8v h GLU 430 N 0.79 0.20 -0.51 4.02 4.81 -1.92 -1.10 114.58 120.86 3i8v h GLU 430 Ca -0.49 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 58.62 3i8v h GLU 430 Cb 1.25 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 3i8v h GLU 430 CO 0.56 0.13 -0.10 -0.07 -0.73 0.00 0.00 179.01 178.80 3i8v h LEU 431 N 0.21 0.98 -1.03 1.64 3.38 -1.93 -0.68 115.31 117.87 3i8v h LEU 431 Ca 0.66 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 58.20 3i8v h LEU 431 Cb 1.48 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3i8v h LEU 431 CO -0.68 1.10 -0.21 0.00 0.09 0.00 0.00 178.44 178.74 3i8v h ALA 432 N 0.91 1.19 -0.20 1.53 0.00 -1.50 -1.92 119.26 119.27 3i8v h ALA 432 Ca 0.13 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3i8v h ALA 432 Cb 0.66 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3i8v h ALA 432 CO 0.05 0.52 0.00 -0.07 0.00 0.00 0.00 179.25 179.75 3i8v h LEU 433 N 0.40 0.34 -0.78 0.00 3.38 -1.09 -0.58 115.31 116.98 3i8v h LEU 433 Ca 0.07 -0.30 0.07 0.00 0.09 0.00 0.00 57.88 57.80 3i8v h LEU 433 Cb 0.59 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 3i8v h LEU 433 CO 0.04 0.56 0.45 0.24 0.09 0.00 0.00 178.44 179.82 3i8v h MET 434 N 0.11 0.79 -0.58 1.13 2.86 -0.92 -3.14 114.93 115.18 3i8v h MET 434 Ca 0.06 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3i8v h MET 434 Cb 0.38 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.86 3i8v h MET 434 CO 0.01 0.52 0.00 0.66 1.06 0.00 0.00 176.91 179.16 3i8v n TYR 435 N -4.72 0.95 -3.82 -0.22 4.01 -0.74 -4.97 117.16 107.65 3i8v n TYR 435 Ca 0.11 -0.55 -0.25 0.00 -0.16 0.00 0.00 57.90 57.05 3i8v n TYR 435 Cb 0.20 -0.08 0.02 0.00 -0.31 0.00 0.00 39.34 39.17 3i8v n TYR 435 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3i8v n ASN 436 N 1.08 -2.17 -0.65 7.72 3.02 -0.42 -2.13 115.26 121.70 3i8v n ASN 436 Ca 0.21 -0.84 -0.08 0.00 -0.03 0.00 0.00 54.58 53.84 3i8v n ASN 436 Cb 0.65 -3.81 -0.03 0.00 -0.61 0.00 0.00 39.78 35.98 3i8v n ASN 436 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3i8v n ASP 437 N -2.97 -5.05 -4.24 6.41 8.00 -0.36 -4.95 116.55 113.40 3i8v n ASP 437 Ca -0.19 0.19 -0.35 0.00 0.71 0.00 0.00 54.79 55.16 3i8v n ASP 437 Cb 0.63 -3.62 -0.14 0.00 -0.02 0.00 0.00 41.12 37.96 3i8v n ASP 437 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3i8v s GLU 438 N -2.51 3.17 -1.38 -1.24 2.56 -0.91 -4.61 118.70 113.78 3i8v s GLU 438 Ca 0.00 -0.75 -0.09 0.00 0.00 0.00 0.00 54.97 54.12 3i8v s GLU 438 Cb 0.00 -2.92 0.01 0.00 2.00 0.00 0.00 34.13 33.22 3i8v s GLU 438 CO 0.00 -0.25 0.39 0.43 -0.56 0.00 0.00 175.26 175.27 3i8v n SER 439 N 4.73 -1.31 0.28 -1.70 7.64 -1.26 -4.81 113.62 117.19 3i8v n SER 439 Ca -0.18 -1.15 -0.16 0.00 1.01 0.00 0.00 58.87 58.38 3i8v n SER 439 Cb 0.50 -2.38 -0.08 0.00 -1.01 0.00 0.00 64.21 61.23 3i8v n SER 439 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3i8v h VAL 440 N -1.98 0.50 -0.40 0.44 2.07 -1.90 -0.60 116.25 114.39 3i8v h VAL 440 Ca -0.66 0.00 0.01 0.00 0.82 0.00 0.00 66.70 66.86 3i8v h VAL 440 Cb 1.39 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 3i8v h VAL 440 CO 0.61 0.00 0.26 -0.07 0.02 0.00 0.00 177.57 178.39 3i8v h LEU 441 N -0.67 0.45 -0.77 2.57 3.38 -1.95 -2.16 115.31 116.17 3i8v h LEU 441 Ca -0.07 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 3i8v h LEU 441 Cb 0.52 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3i8v h LEU 441 CO 0.10 0.32 -0.09 -0.33 0.09 0.00 0.00 178.44 178.54 3i8v h GLU 442 N 0.53 0.84 -0.63 1.13 3.07 -1.86 0.18 114.58 117.84 3i8v h GLU 442 Ca 0.15 -0.28 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 3i8v h GLU 442 Cb -0.05 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 27.76 3i8v h GLU 442 CO -0.04 0.90 0.40 -0.91 -1.40 0.00 0.00 179.01 177.95 3i8v h ASN 443 N 0.76 0.74 -0.75 1.42 2.35 -1.01 -2.39 115.58 116.70 3i8v h ASN 443 Ca 0.13 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 3i8v h ASN 443 Cb 0.58 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 3i8v h ASN 443 CO 0.04 0.56 0.34 -0.74 -1.65 0.00 0.00 177.43 175.98 3i8v h HIS 444 N 0.85 1.10 -0.73 1.19 2.76 -0.60 -0.82 115.15 118.89 3i8v h HIS 444 Ca 0.23 -0.06 0.02 0.00 -2.20 0.00 0.00 60.37 58.35 3i8v h HIS 444 Cb -0.06 -0.34 -0.04 0.00 1.55 0.00 0.00 27.41 28.53 3i8v h HIS 444 CO -0.02 0.81 0.48 0.45 -1.30 0.00 0.00 177.93 178.35 3i8v h HIS 445 N 1.06 0.90 -0.12 5.26 3.86 -0.47 -0.35 115.15 125.30 3i8v h HIS 445 Ca 0.26 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.49 3i8v h HIS 445 Cb 0.14 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 3i8v h HIS 445 CO 0.01 0.55 0.07 -0.07 0.86 0.00 0.00 177.93 179.35 3i8v h LEU 446 N 0.96 0.14 -0.40 2.43 3.38 -1.21 -0.40 115.31 120.22 3i8v h LEU 446 Ca 0.28 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.21 3i8v h LEU 446 Cb -0.07 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3i8v h LEU 446 CO -0.08 0.16 0.20 0.00 0.09 0.00 0.00 178.44 178.82 3i8v h ALA 447 N 0.98 0.49 -0.25 1.53 0.00 -0.77 -1.90 119.26 119.34 3i8v h ALA 447 Ca 0.04 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3i8v h ALA 447 Cb 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3i8v h ALA 447 CO -0.01 -0.16 0.01 0.28 0.00 0.00 0.00 179.25 179.37 3i8v h VAL 448 N 0.41 1.25 -0.83 0.00 2.07 -1.00 -0.66 116.25 117.49 3i8v h VAL 448 Ca 0.17 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3i8v h VAL 448 Cb 0.07 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 3i8v h VAL 448 CO -0.12 0.28 0.53 1.23 0.02 0.00 0.00 177.57 179.51 3i8v h GLY 449 N 0.23 1.19 0.71 2.17 0.00 -0.99 -1.94 103.07 104.44 3i8v h GLY 449 Ca 0.07 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.85 3i8v h GLY 449 CO 0.01 0.46 -0.24 0.74 0.00 0.00 0.00 176.54 177.51 3i8v h PHE 450 N 1.14 0.44 -0.51 5.60 0.04 -1.36 -3.31 116.94 118.98 3i8v h PHE 450 Ca 0.30 -0.17 0.04 0.00 2.80 0.00 0.00 57.97 60.95 3i8v h PHE 450 Cb -0.08 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 37.96 3i8v h PHE 450 CO -0.01 0.86 0.34 1.57 -0.60 0.00 0.00 178.31 180.47 3i8v h LYS 451 N -0.10 0.52 0.00 1.51 2.10 -0.86 -2.35 116.57 117.39 3i8v h LYS 451 Ca -0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 3i8v h LYS 451 Cb 0.84 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 3i8v h LYS 451 CO 0.05 0.34 0.00 -0.07 -2.00 0.00 0.00 179.45 177.78 3i8v h LEU 452 N 0.53 0.00 -2.66 7.07 3.38 -1.44 -1.42 115.31 120.78 3i8v h LEU 452 Ca 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 3i8v h LEU 452 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3i8v h LEU 452 CO -0.06 0.00 -0.01 -0.07 0.09 0.00 0.00 178.44 178.40 3i8v h LEU 453 N 0.00 0.00 -0.42 1.67 3.38 -1.56 -2.61 115.31 115.77 3i8v h LEU 453 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i8v h LEU 453 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3i8v h LEU 453 CO 0.00 0.01 -0.33 0.00 0.09 0.00 0.00 178.44 178.20 3i8v n GLN 454 N -3.51 0.68 -1.08 1.13 6.02 -0.53 -2.04 117.38 118.05 3i8v n GLN 454 Ca -0.03 -0.42 -0.29 0.00 -0.01 0.00 0.00 57.00 56.25 3i8v n GLN 454 Cb 0.09 -1.49 0.18 0.00 1.02 0.00 0.00 30.24 30.04 3i8v n GLN 454 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3i8v s GLU 455 N -2.61 0.34 0.04 -1.09 2.02 -0.98 -4.88 118.70 111.55 3i8v s GLU 455 Ca 0.21 0.61 -0.30 0.00 0.02 0.00 0.00 54.97 55.50 3i8v s GLU 455 Cb 0.19 -1.72 -0.08 0.00 0.10 0.00 0.00 34.13 32.62 3i8v s GLU 455 CO 0.57 -2.82 1.79 0.34 0.02 0.00 0.00 175.26 175.16 3i8v s ASP 456 N -3.32 6.53 -1.37 -0.19 -1.08 -1.26 -2.39 116.67 113.59 3i8v s ASP 456 Ca 0.66 2.55 -0.06 0.00 -0.52 0.00 0.00 52.55 55.17 3i8v s ASP 456 Cb -0.19 -2.55 0.03 0.00 -1.46 0.00 0.00 42.92 38.75 3i8v s ASP 456 CO 0.58 -0.97 0.93 -3.20 0.52 0.00 0.00 175.17 173.03 3i8v n ASN 457 N 6.55 -3.44 -0.01 -0.34 4.05 -1.26 -4.91 115.26 115.90 3i8v n ASN 457 Ca 0.18 -0.73 0.00 0.00 0.45 0.00 0.00 54.58 54.49 3i8v n ASN 457 Cb 0.41 -4.34 -0.00 0.00 1.23 0.00 0.00 39.78 37.07 3i8v n ASN 457 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3i8v s ASP 459 N -0.73 6.56 0.35 0.00 2.15 -0.86 -4.57 116.67 119.56 3i8v s ASP 459 Ca 0.00 -1.99 0.26 0.00 0.43 0.00 0.00 52.55 51.25 3i8v s ASP 459 Cb 0.00 -2.58 1.21 0.00 -0.30 0.00 0.00 42.92 41.25 3i8v s ASP 459 CO 0.02 -1.45 1.78 0.16 -0.17 0.00 0.00 175.17 175.51 3i8v h ILE 460 N 6.10 0.00 -0.62 4.11 3.07 -1.85 -2.59 117.51 125.72 3i8v h ILE 460 Ca 0.34 -0.18 0.00 0.00 1.55 0.00 0.00 64.86 66.57 3i8v h ILE 460 Cb 0.93 0.89 0.00 0.00 -0.27 0.00 0.00 36.82 38.37 3i8v h ILE 460 CO 1.43 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 179.02 3i8v n PHE 461 N -2.42 1.76 0.28 0.16 3.72 -1.26 -4.58 117.46 115.12 3i8v n PHE 461 Ca 0.00 -0.65 0.12 0.00 -0.05 0.00 0.00 57.45 56.87 3i8v n PHE 461 Cb 0.17 -0.37 0.79 0.00 -0.94 0.00 0.00 39.48 39.13 3i8v n PHE 461 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 3i8v h GLN 462 N 4.06 0.00 -0.31 -1.08 3.07 -1.82 -2.08 115.11 116.95 3i8v h GLN 462 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3i8v h GLN 462 Cb 1.69 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.25 3i8v h GLN 462 CO 0.35 0.00 0.00 0.09 0.09 0.00 0.00 178.83 179.36 3i8v n ASN 463 N -4.15 3.12 -4.79 0.06 3.02 -1.26 -4.92 115.26 106.34 3i8v n ASN 463 Ca -0.03 -1.91 -0.34 0.00 -0.03 0.00 0.00 54.58 52.27 3i8v n ASN 463 Cb 0.09 -0.20 -0.02 0.00 -0.61 0.00 0.00 39.78 39.04 3i8v n ASN 463 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i8v s LEU 464 N -1.34 3.81 0.87 3.41 1.02 -0.78 -4.93 118.68 120.74 3i8v s LEU 464 Ca 0.32 1.98 -0.12 0.00 0.02 0.00 0.00 54.13 56.33 3i8v s LEU 464 Cb 0.19 -4.56 0.11 0.00 0.02 0.00 0.00 46.19 41.95 3i8v s LEU 464 CO 0.26 -0.91 1.13 -0.94 0.02 0.00 0.00 176.35 175.92 3i8v s SER 465 N -1.96 3.86 0.13 2.29 1.04 -1.26 -4.82 113.70 112.98 3i8v s SER 465 Ca 0.68 1.04 -0.16 0.00 0.48 0.00 0.00 55.95 57.99 3i8v s SER 465 Cb -0.18 -1.65 -0.01 0.00 0.10 0.00 0.00 66.02 64.27 3i8v s SER 465 CO 0.22 -2.34 1.70 0.50 0.98 0.00 0.00 173.24 174.30 3i8v h LYS 466 N -1.35 0.56 -0.90 4.02 3.64 -1.98 -0.29 116.57 120.27 3i8v h LYS 466 Ca -0.49 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 58.83 3i8v h LYS 466 Cb 1.31 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.99 3i8v h LYS 466 CO 0.62 0.51 0.59 0.00 -2.27 0.00 0.00 179.45 178.89 3i8v h ARG 467 N 0.47 1.12 -0.49 1.90 2.47 -1.99 -1.57 114.38 116.28 3i8v h ARG 467 Ca 0.13 -0.07 -0.07 0.00 -1.26 0.00 0.00 59.98 58.72 3i8v h ARG 467 Cb 0.14 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.19 3i8v h ARG 467 CO -0.01 0.74 0.05 1.96 0.56 0.00 0.00 179.97 183.27 3i8v h GLN 468 N 1.15 0.84 -0.46 0.04 4.20 -1.83 -1.36 115.11 117.69 3i8v h GLN 468 Ca 0.35 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 3i8v h GLN 468 Cb -0.03 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 3i8v h GLN 468 CO -0.11 0.85 0.24 0.00 -0.67 0.00 0.00 178.83 179.14 3i8v h ARG 469 N 0.70 0.64 -0.71 1.46 3.08 -0.82 -0.39 114.38 118.35 3i8v h ARG 469 Ca 0.15 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 3i8v h ARG 469 Cb 0.44 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 3i8v h ARG 469 CO 0.02 0.52 0.22 1.96 -1.07 0.00 0.00 179.97 181.61 3i8v h GLN 470 N 0.60 1.09 -0.12 0.04 4.20 -1.13 -0.55 115.11 119.23 3i8v h GLN 470 Ca 0.16 -0.23 -0.15 0.00 0.06 0.00 0.00 58.65 58.50 3i8v h GLN 470 Cb 0.07 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 27.69 3i8v h GLN 470 CO -0.02 0.93 -0.50 1.03 -0.67 0.00 0.00 178.83 179.60 3i8v h SER 471 N 1.05 0.65 0.22 1.46 0.87 -1.08 -2.25 113.55 114.47 3i8v h SER 471 Ca 0.23 -0.62 -0.01 0.00 -1.23 0.00 0.00 61.79 60.16 3i8v h SER 471 Cb 0.29 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.06 3i8v h SER 471 CO -0.01 1.16 -0.12 0.25 -0.53 0.00 0.00 176.83 177.59 3i8v h LEU 472 N 0.17 -0.29 -0.49 2.23 7.12 -0.98 -1.90 115.31 121.16 3i8v h LEU 472 Ca -0.03 0.02 0.10 0.00 0.13 0.00 0.00 57.88 58.10 3i8v h LEU 472 Cb 1.13 0.08 -0.10 0.00 -0.53 0.00 0.00 40.66 41.25 3i8v h LEU 472 CO 0.10 -0.20 -0.17 -0.09 -0.13 0.00 0.00 178.44 177.96 3i8v h ARG 473 N -0.32 -0.05 -0.59 1.25 2.43 -1.11 0.89 114.38 116.89 3i8v h ARG 473 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3i8v h ARG 473 Cb 0.26 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 3i8v h ARG 473 CO 0.03 -0.03 0.38 -0.22 -1.51 0.00 0.00 179.97 178.62 3i8v h LYS 474 N -0.05 0.78 -0.45 0.20 3.64 -1.24 -1.24 116.57 118.21 3i8v h LYS 474 Ca 0.24 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.50 3i8v h LYS 474 Cb 0.42 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 3i8v h LYS 474 CO -0.54 0.53 0.04 0.52 -2.27 0.00 0.00 179.45 177.73 3i8v h MET 475 N 0.80 0.77 -0.56 1.90 2.86 -0.62 -2.35 114.93 117.72 3i8v h MET 475 Ca 0.21 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 3i8v h MET 475 Cb -0.08 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.48 3i8v h MET 475 CO -0.04 0.81 0.29 0.28 1.06 0.00 0.00 176.91 179.30 3i8v h VAL 476 N 0.62 1.20 -0.20 -2.22 2.07 -0.60 -1.76 116.25 115.36 3i8v h VAL 476 Ca 0.13 -0.53 0.05 0.00 0.82 0.00 0.00 66.70 67.18 3i8v h VAL 476 Cb 0.44 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 3i8v h VAL 476 CO 0.02 0.22 -0.16 0.40 0.02 0.00 0.00 177.57 178.06 3i8v h ILE 477 N 0.75 0.56 -0.57 4.57 2.04 -1.10 -0.68 117.51 123.08 3i8v h ILE 477 Ca 0.19 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.09 3i8v h ILE 477 Cb 0.08 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 3i8v h ILE 477 CO -0.03 0.00 0.33 0.44 0.00 0.00 0.00 178.15 178.89 3i8v h ASP 478 N -0.16 0.52 -0.20 1.72 3.45 -1.17 -1.05 116.42 119.54 3i8v h ASP 478 Ca 0.12 0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.56 3i8v h ASP 478 Cb 0.34 -0.10 -0.01 0.00 -0.56 0.00 0.00 39.33 39.01 3i8v h ASP 478 CO -0.30 0.36 0.02 0.24 -1.57 0.00 0.00 179.24 177.99 3i8v h MET 479 N 0.65 0.34 -0.23 3.56 2.86 -1.04 -2.19 114.93 118.87 3i8v h MET 479 Ca 0.23 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 3i8v h MET 479 Cb 0.06 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 3i8v h MET 479 CO -0.12 0.52 -0.07 0.28 1.06 0.00 0.00 176.91 178.58 3i8v h VAL 480 N 0.11 1.29 -0.02 -2.22 2.07 -1.04 -2.71 116.25 113.73 3i8v h VAL 480 Ca 0.06 -1.08 0.01 0.00 0.82 0.00 0.00 66.70 66.51 3i8v h VAL 480 Cb 0.35 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3i8v h VAL 480 CO 0.01 0.33 0.02 -0.07 0.02 0.00 0.00 177.57 177.88 3i8v h LEU 481 N 0.19 0.00 0.00 2.57 3.38 -1.22 -1.16 115.31 119.07 3i8v h LEU 481 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3i8v h LEU 481 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3i8v h LEU 481 CO 0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.55 3i8v n ALA 482 N -2.51 2.07 1.38 1.53 0.00 -0.82 -2.33 120.51 119.82 3i8v n ALA 482 Ca -0.02 -0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.46 3i8v n ALA 482 Cb 0.11 -1.34 0.48 0.00 0.00 0.00 0.00 19.45 18.71 3i8v n ALA 482 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i8v n THR 483 N -1.30 0.00 -2.31 0.00 -2.24 -0.44 -4.77 114.28 103.22 3i8v n THR 483 Ca 0.09 -0.15 -0.43 0.00 -2.27 0.00 0.00 64.05 61.30 3i8v n THR 483 Cb 0.17 0.32 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 3i8v n THR 483 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3i8v s ASP 484 N -2.32 6.76 0.57 3.42 -1.08 -0.99 -4.90 116.67 118.12 3i8v s ASP 484 Ca 0.30 1.67 0.29 0.00 -0.52 0.00 0.00 52.55 54.28 3i8v s ASP 484 Cb 0.20 -2.54 1.71 0.00 -1.46 0.00 0.00 42.92 40.83 3i8v s ASP 484 CO 0.45 -0.93 2.21 0.24 0.52 0.00 0.00 175.17 177.65 3i8v h MET 485 N 9.03 0.00 0.00 4.34 2.86 -1.90 -0.34 114.93 128.93 3i8v h MET 485 Ca -0.30 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 3i8v h MET 485 Cb 1.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.78 3i8v h MET 485 CO 0.99 0.03 0.00 -1.13 1.06 0.00 0.00 176.91 177.86 3i8v n SER 486 N -3.82 0.00 -0.28 1.22 3.41 -1.26 -1.61 113.62 111.28 3i8v n SER 486 Ca -0.03 0.13 0.11 0.00 -0.26 0.00 0.00 58.87 58.82 3i8v n SER 486 Cb 0.12 -0.30 0.04 0.00 -0.26 0.00 0.00 64.21 63.82 3i8v n SER 486 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3i8v n LYS 487 N -1.30 0.72 -0.20 4.33 4.76 -0.14 -4.67 118.16 121.67 3i8v n LYS 487 Ca 0.06 -0.57 0.00 0.00 -2.87 0.00 0.00 58.31 54.94 3i8v n LYS 487 Cb 0.11 -1.49 0.11 0.00 -1.84 0.00 0.00 35.03 31.92 3i8v n LYS 487 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3i8v h HIS 488 N 1.38 0.28 -0.19 2.13 -0.00 -1.41 -1.91 115.15 115.44 3i8v h HIS 488 Ca 0.00 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.41 3i8v h HIS 488 Cb 0.63 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.99 3i8v h HIS 488 CO 0.00 0.02 0.11 1.98 -0.00 0.00 0.00 177.93 180.04 3i8v h MET 489 N 0.32 0.22 -0.26 5.26 -1.53 -1.83 -0.08 114.93 117.03 3i8v h MET 489 Ca 0.31 -0.01 -0.05 0.00 -3.44 0.00 0.00 59.70 56.50 3i8v h MET 489 Cb 0.43 -0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 31.42 3i8v h MET 489 CO -0.36 0.14 -0.04 1.15 0.14 0.00 0.00 176.91 177.94 3i8v h THR 490 N 0.22 1.28 -0.36 -0.77 2.02 -1.81 -0.33 112.91 113.16 3i8v h THR 490 Ca 0.07 -1.02 0.08 0.00 0.77 0.00 0.00 66.41 66.31 3i8v h THR 490 Cb -0.00 1.43 -0.08 0.00 -1.74 0.00 0.00 68.15 67.76 3i8v h THR 490 CO -0.04 0.32 -0.18 -0.07 0.37 0.00 0.00 175.52 175.92 3i8v h LEU 491 N 0.23 -0.61 -0.47 2.58 4.07 -1.17 -0.25 115.31 119.69 3i8v h LEU 491 Ca 0.07 0.14 -0.09 0.00 0.08 0.00 0.00 57.88 58.08 3i8v h LEU 491 Cb 0.49 0.33 -0.02 0.00 1.08 0.00 0.00 40.66 42.55 3i8v h LEU 491 CO 0.02 -0.21 -0.05 0.25 -1.08 0.00 0.00 178.44 177.37 3i8v h LEU 492 N -0.12 0.86 -1.01 1.67 5.85 -0.92 0.49 115.31 122.13 3i8v h LEU 492 Ca 0.18 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.61 3i8v h LEU 492 Cb 0.40 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 3i8v h LEU 492 CO -0.44 0.99 0.66 0.00 -0.34 0.00 0.00 178.44 179.31 3i8v h ALA 493 N 0.90 1.34 -0.25 1.25 0.00 -0.82 -0.35 119.26 121.35 3i8v h ALA 493 Ca 0.13 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3i8v h ALA 493 Cb 0.58 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3i8v h ALA 493 CO 0.03 0.56 -0.19 -0.44 0.00 0.00 0.00 179.25 179.21 3i8v h ASP 494 N 1.27 0.59 -0.23 0.00 3.32 -0.62 -2.04 116.42 118.71 3i8v h ASP 494 Ca 0.40 -0.45 0.02 0.00 0.02 0.00 0.00 57.03 57.02 3i8v h ASP 494 Cb 0.01 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3i8v h ASP 494 CO -0.13 0.91 0.10 0.25 -1.72 0.00 0.00 179.24 178.66 3i8v h LEU 495 N 0.28 0.14 -0.41 1.55 5.85 -0.67 -1.94 115.31 120.10 3i8v h LEU 495 Ca 0.05 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.82 3i8v h LEU 495 Cb 0.72 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 3i8v h LEU 495 CO 0.05 0.11 0.19 0.50 -0.34 0.00 0.00 178.44 178.95 3i8v h LYS 496 N 0.22 0.37 -0.47 1.25 1.63 -1.02 0.09 116.57 118.64 3i8v h LYS 496 Ca 0.09 -0.02 0.07 0.00 -0.85 0.00 0.00 60.65 59.94 3i8v h LYS 496 Cb 0.04 -0.08 -0.06 0.00 -0.60 0.00 0.00 32.23 31.53 3i8v h LYS 496 CO -0.08 0.24 0.14 1.15 -3.45 0.00 0.00 179.45 177.45 3i8v h THR 497 N 0.38 0.80 -0.49 1.00 2.02 -1.23 -1.86 112.91 113.52 3i8v h THR 497 Ca 0.18 -0.10 0.04 0.00 0.77 0.00 0.00 66.41 67.30 3i8v h THR 497 Cb 0.12 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 3i8v h THR 497 CO -0.15 0.05 0.25 0.24 0.37 0.00 0.00 175.52 176.28 3i8v h MET 498 N 0.29 0.47 -0.82 6.66 2.86 -0.61 -2.64 114.93 121.14 3i8v h MET 498 Ca 0.23 -0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.91 3i8v h MET 498 Cb 0.27 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.76 3i8v h MET 498 CO -0.26 0.31 0.50 0.28 1.06 0.00 0.00 176.91 178.80 3i8v h VAL 499 N 0.48 1.00 0.00 -2.22 2.07 -0.49 -1.67 116.25 115.43 3i8v h VAL 499 Ca 0.21 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 3i8v h VAL 499 Cb 0.12 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.92 3i8v h VAL 499 CO -0.15 0.16 -0.15 -0.33 0.02 0.00 0.00 177.57 177.12 3i8v h GLU 500 N 0.89 0.00 -0.07 1.57 4.39 -1.00 -2.94 114.58 117.43 3i8v h GLU 500 Ca 0.37 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.03 3i8v h GLU 500 Cb 0.21 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 3i8v h GLU 500 CO -0.19 0.15 -0.41 0.25 -1.16 0.00 0.00 179.01 177.66 3i8v n THR 501 N -3.48 2.27 -2.45 1.13 -2.24 -0.96 -5.08 114.28 103.48 3i8v n THR 501 Ca -0.01 -3.13 -0.37 0.00 -2.27 0.00 0.00 64.05 58.26 3i8v n THR 501 Cb 0.32 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.26 3i8v n THR 501 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3i8v s LYS 502 N -3.23 4.16 -0.09 -0.78 -2.85 -0.67 -5.03 119.74 111.26 3i8v s LYS 502 Ca 0.39 1.66 0.01 0.00 -1.00 0.00 0.00 55.97 57.03 3i8v s LYS 502 Cb 0.38 -2.65 -0.02 0.00 -2.06 0.00 0.00 37.83 33.47 3i8v s LYS 502 CO -0.05 -0.17 -0.12 0.15 0.10 0.00 0.00 175.35 175.25 3i8v s LYS 503 N -2.32 2.96 0.01 1.78 1.02 -1.26 -5.07 119.74 116.85 3i8v s LYS 503 Ca 0.56 -0.65 0.08 0.00 0.02 0.00 0.00 55.97 55.98 3i8v s LYS 503 Cb -0.26 -2.55 -0.02 0.00 -0.52 0.00 0.00 37.83 34.48 3i8v s LYS 503 CO 0.33 0.45 -0.24 0.08 -0.92 0.00 0.00 175.35 175.04 3i8v s VAL 504 N -0.27 1.95 0.86 3.17 1.01 -1.26 -1.05 120.40 124.81 3i8v s VAL 504 Ca 0.02 -1.17 -0.07 0.00 0.00 0.00 0.00 61.98 60.76 3i8v s VAL 504 Cb -0.13 -1.64 0.18 0.00 0.00 0.00 0.00 36.38 34.79 3i8v s VAL 504 CO 0.03 0.44 1.17 0.42 0.00 0.00 0.00 175.10 177.16 3i8v s THR 505 N -0.67 2.00 0.04 3.92 -4.23 0.51 -4.90 115.64 112.31 3i8v s THR 505 Ca 0.10 -0.35 -0.04 0.00 -1.18 0.00 0.00 61.69 60.21 3i8v s THR 505 Cb -0.09 -2.65 0.03 0.00 1.34 0.00 0.00 72.50 71.13 3i8v s THR 505 CO 0.00 0.00 0.30 -1.20 -0.54 0.00 0.00 174.62 173.19 3i8v n SER 506 N -3.32 -0.15 -0.19 3.99 7.64 -1.26 -1.16 113.62 119.17 3i8v n SER 506 Ca 0.17 0.34 0.13 0.00 1.01 0.00 0.00 58.87 60.52 3i8v n SER 506 Cb 0.60 -0.07 0.33 0.00 -1.01 0.00 0.00 64.21 64.06 3i8v n SER 506 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3i8v n SER 507 N -4.28 0.93 0.00 6.43 7.64 -1.26 -4.91 113.62 118.17 3i8v n SER 507 Ca 0.02 -0.76 0.00 0.00 1.01 0.00 0.00 58.87 59.13 3i8v n SER 507 Cb 0.07 0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 3i8v n SER 507 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i8v n GLY 508 N 1.38 0.81 3.81 0.23 0.00 -0.31 -5.08 105.19 106.03 3i8v n GLY 508 Ca 0.10 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 3i8v n GLY 508 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i8v s VAL 509 N -2.00 4.67 0.60 1.61 1.01 -1.26 -4.76 120.40 120.28 3i8v s VAL 509 Ca 0.00 1.29 -0.19 0.00 0.00 0.00 0.00 61.98 63.08 3i8v s VAL 509 Cb 0.00 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 3i8v s VAL 509 CO 0.00 0.53 1.23 -0.76 0.00 0.00 0.00 175.10 176.10 3i8v s LEU 510 N -1.17 3.65 -0.25 3.92 1.43 0.16 -0.36 118.68 126.06 3i8v s LEU 510 Ca 0.31 2.44 0.02 0.00 -1.03 0.00 0.00 54.13 55.87 3i8v s LEU 510 Cb -0.20 -4.60 0.06 0.00 0.03 0.00 0.00 46.19 41.49 3i8v s LEU 510 CO 0.20 -1.67 -0.06 -0.22 0.23 0.00 0.00 176.35 174.84 3i8v s LEU 511 N -4.11 2.98 -0.45 1.79 0.20 -0.22 -4.76 118.68 114.12 3i8v s LEU 511 Ca 0.78 -1.33 0.03 0.00 0.69 0.00 0.00 54.13 54.30 3i8v s LEU 511 Cb -0.32 -1.31 0.13 0.00 -0.43 0.00 0.00 46.19 44.25 3i8v s LEU 511 CO 0.35 -0.24 0.21 -0.76 -0.29 0.00 0.00 176.35 175.62 3i8v s LEU 512 N 1.28 3.51 0.17 -0.68 1.43 -1.26 -4.47 118.68 118.65 3i8v s LEU 512 Ca -0.05 -2.62 -0.10 0.00 -1.03 0.00 0.00 54.13 50.32 3i8v s LEU 512 Cb -0.19 -1.32 0.04 0.00 0.03 0.00 0.00 46.19 44.75 3i8v s LEU 512 CO -0.07 -0.28 1.62 0.44 0.23 0.00 0.00 176.35 178.29 3i8v h ASP 513 N 6.88 0.98 -2.80 2.29 5.19 -1.99 -3.46 116.42 123.50 3i8v h ASP 513 Ca -0.05 -0.31 -0.61 0.00 -0.62 0.00 0.00 57.03 55.43 3i8v h ASP 513 Cb 0.93 -0.26 -0.13 0.00 0.18 0.00 0.00 39.33 40.05 3i8v h ASP 513 CO 0.56 1.06 -0.71 0.54 -3.12 0.00 0.00 179.24 177.57 3i8v s ASN 514 N -6.51 4.24 0.22 6.45 2.20 -1.26 -5.04 114.94 115.23 3i8v s ASN 514 Ca -0.12 -0.63 -0.08 0.00 -0.94 0.00 0.00 52.86 51.09 3i8v s ASN 514 Cb 0.13 -0.70 0.28 0.00 -2.00 0.00 0.00 41.25 38.96 3i8v s ASN 514 CO 0.85 0.08 1.80 0.22 -2.94 0.00 0.00 177.10 177.11 3i8v h TYR 515 N 2.68 0.69 -0.50 1.54 3.20 -1.99 -2.60 116.97 119.99 3i8v h TYR 515 Ca -0.46 0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.54 3i8v h TYR 515 Cb 1.22 -0.20 -0.10 0.00 1.54 0.00 0.00 36.73 39.18 3i8v h TYR 515 CO 0.67 0.30 -0.24 1.03 -1.64 0.00 0.00 178.16 178.28 3i8v h SER 516 N 0.67 -0.81 -0.69 -2.11 0.87 -1.99 0.56 113.55 110.05 3i8v h SER 516 Ca 0.32 0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 61.06 3i8v h SER 516 Cb 0.25 0.44 -0.03 0.00 -0.44 0.00 0.00 62.40 62.62 3i8v h SER 516 CO -0.21 -0.26 0.42 0.44 -0.53 0.00 0.00 176.83 176.69 3i8v h ASP 517 N -0.12 0.83 -0.46 6.23 3.32 -1.91 -2.64 116.42 121.67 3i8v h ASP 517 Ca 0.23 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 3i8v h ASP 517 Cb 0.48 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 3i8v h ASP 517 CO -0.57 0.65 0.13 0.03 -1.72 0.00 0.00 179.24 177.76 3i8v h ARG 518 N 0.94 0.73 -0.08 3.56 3.08 -0.61 -1.69 114.38 120.30 3i8v h ARG 518 Ca 0.25 -0.16 -0.15 0.00 0.07 0.00 0.00 59.98 59.99 3i8v h ARG 518 Cb -0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 3i8v h ARG 518 CO -0.05 0.70 -0.60 0.97 -1.07 0.00 0.00 179.97 179.93 3i8v h ILE 519 N 0.61 1.38 -0.34 2.04 6.09 -1.01 -1.02 117.51 125.26 3i8v h ILE 519 Ca 0.15 -1.95 0.06 0.00 -1.37 0.00 0.00 64.86 61.75 3i8v h ILE 519 Cb 0.29 1.97 -0.05 0.00 0.47 0.00 0.00 36.82 39.49 3i8v h ILE 519 CO -0.00 0.58 0.03 -0.61 -3.07 0.00 0.00 178.15 175.08 3i8v h GLN 520 N 0.21 0.13 -0.43 2.19 5.75 -1.31 0.42 115.11 122.07 3i8v h GLN 520 Ca -0.00 -0.01 -0.12 0.00 -0.15 0.00 0.00 58.65 58.37 3i8v h GLN 520 Cb 1.10 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.61 3i8v h GLN 520 CO 0.09 0.09 -0.22 0.28 -2.65 0.00 0.00 178.83 176.42 3i8v h VAL 521 N 0.13 1.27 -0.37 2.39 2.07 -1.01 -2.13 116.25 118.60 3i8v h VAL 521 Ca 0.17 -1.35 -0.07 0.00 0.82 0.00 0.00 66.70 66.26 3i8v h VAL 521 Cb 0.21 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3i8v h VAL 521 CO -0.25 0.46 -0.05 -0.07 0.02 0.00 0.00 177.57 177.67 3i8v h LEU 522 N 0.75 0.68 -0.34 2.57 3.38 -0.72 0.97 115.31 122.59 3i8v h LEU 522 Ca 0.10 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.77 3i8v h LEU 522 Cb 0.76 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 3i8v h LEU 522 CO 0.06 0.86 0.11 0.03 0.09 0.00 0.00 178.44 179.60 3i8v h ARG 523 N 0.49 0.25 -0.13 1.13 3.08 -0.12 -1.50 114.38 117.57 3i8v h ARG 523 Ca 0.10 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.05 3i8v h ARG 523 Cb 0.54 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 3i8v h ARG 523 CO 0.03 0.16 -0.27 -0.91 -1.07 0.00 0.00 179.97 177.91 3i8v h ASN 524 N 0.26 0.24 -0.36 7.04 2.35 -1.25 -2.22 115.58 121.64 3i8v h ASN 524 Ca 0.16 -0.08 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 3i8v h ASN 524 Cb 0.13 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3i8v h ASN 524 CO -0.16 0.52 -0.05 -0.03 -1.65 0.00 0.00 177.43 176.06 3i8v h MET 525 N 0.22 0.68 -0.11 0.81 4.05 -0.08 0.32 114.93 120.81 3i8v h MET 525 Ca 0.03 -0.24 -0.17 0.00 -0.28 0.00 0.00 59.70 59.04 3i8v h MET 525 Cb 0.61 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.35 3i8v h MET 525 CO 0.04 0.81 -0.66 0.28 0.23 0.00 0.00 176.91 177.61 3i8v h VAL 526 N 0.48 1.36 -0.46 -5.77 2.07 -1.24 -0.97 116.25 111.72 3i8v h VAL 526 Ca 0.10 -2.01 -0.03 0.00 0.82 0.00 0.00 66.70 65.58 3i8v h VAL 526 Cb 0.54 1.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 3i8v h VAL 526 CO 0.03 0.61 0.18 -0.74 0.02 0.00 0.00 177.57 177.67 3i8v h HIS 527 N 0.32 0.70 -0.42 1.57 6.17 -1.25 -0.16 115.15 122.09 3i8v h HIS 527 Ca -0.02 -0.05 0.01 0.00 0.71 0.00 0.00 60.37 61.02 3i8v h HIS 527 Cb 1.22 -0.21 -0.03 0.00 2.52 0.00 0.00 27.41 30.91 3i8v h HIS 527 CO 0.04 0.60 0.26 0.00 0.71 0.00 0.00 177.93 179.54 3i8v h ALA 529 N 1.18 0.88 -0.24 0.00 0.00 -1.00 -0.97 119.26 119.11 3i8v h ALA 529 Ca 0.16 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3i8v h ALA 529 Cb -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3i8v h ALA 529 CO -0.06 0.38 0.05 0.22 0.00 0.00 0.00 179.25 179.83 3i8v h ASP 530 N 0.94 0.31 -0.91 0.00 3.58 -0.86 -2.42 116.42 117.06 3i8v h ASP 530 Ca 0.24 -0.03 -0.57 0.00 0.42 0.00 0.00 57.03 57.09 3i8v h ASP 530 Cb 0.01 -0.08 -0.29 0.00 1.72 0.00 0.00 39.33 40.69 3i8v h ASP 530 CO -0.04 0.33 0.54 0.18 -2.88 0.00 0.00 179.24 177.37 3i8v n LEU 531 N -4.39 6.77 -0.03 2.28 4.77 -0.27 -4.64 117.00 121.49 3i8v n LEU 531 Ca 0.01 -4.09 0.11 0.00 -0.03 0.00 0.00 56.01 52.01 3i8v n LEU 531 Cb 0.16 -0.84 0.04 0.00 -2.33 0.00 0.00 43.42 40.46 3i8v n LEU 531 CO 0.36 1.39 0.18 -1.54 -1.33 0.00 0.00 177.39 176.46 3i8v n SER 532 N -0.99 0.85 -0.11 -1.43 3.41 -0.54 -4.52 113.62 110.29 3i8v n SER 532 Ca 0.57 -0.73 -0.05 0.00 -0.26 0.00 0.00 58.87 58.40 3i8v n SER 532 Cb 1.03 0.66 0.01 0.00 -0.26 0.00 0.00 64.21 65.65 3i8v n SER 532 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3i8v h ASN 533 N 0.14 -0.50 0.17 4.04 -0.26 -1.82 -0.44 115.58 116.92 3i8v h ASN 533 Ca 0.00 0.13 0.00 0.00 -0.56 0.00 0.00 56.30 55.87 3i8v h ASN 533 Cb 0.51 0.29 0.00 0.00 -1.06 0.00 0.00 38.32 38.07 3i8v h ASN 533 CO 0.00 -0.18 0.00 -2.65 -1.06 0.00 0.00 177.43 173.54 3i8v n PRO 534 N -5.34 0.18 0.00 0.81 -0.02 -1.26 -2.10 135.00 127.27 3i8v n PRO 534 Ca 0.02 0.16 0.10 0.00 -2.02 0.00 0.00 63.50 61.76 3i8v n PRO 534 Cb 0.25 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.22 3i8v n PRO 534 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3i8v n THR 535 N -1.25 0.00 -2.79 3.45 -2.24 -0.18 -4.26 114.28 107.02 3i8v n THR 535 Ca 0.06 -0.26 -0.24 0.00 -2.27 0.00 0.00 64.05 61.33 3i8v n THR 535 Cb 0.08 1.23 0.02 0.00 -2.10 0.00 0.00 70.33 69.56 3i8v n THR 535 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i8v s LYS 536 N -2.38 3.02 0.43 -0.78 -0.14 -0.89 -4.66 119.74 114.34 3i8v s LYS 536 Ca 0.17 -0.34 -0.23 0.00 -1.36 0.00 0.00 55.97 54.20 3i8v s LYS 536 Cb 0.17 -2.47 -0.11 0.00 -1.68 0.00 0.00 37.83 33.74 3i8v s LYS 536 CO 0.55 -0.41 0.88 -2.30 -0.76 0.00 0.00 175.35 173.31 3i8v n PRO 537 N -2.24 1.10 -0.33 -1.68 -0.02 -1.26 -4.53 135.00 126.04 3i8v n PRO 537 Ca 0.02 0.40 0.16 0.00 -2.02 0.00 0.00 63.50 62.06 3i8v n PRO 537 Cb 0.58 -1.90 0.36 0.00 -0.02 0.00 0.00 33.50 32.52 3i8v n PRO 537 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3i8v h LEU 538 N 1.27 0.51 -1.34 2.45 5.85 -1.95 -0.34 115.31 121.76 3i8v h LEU 538 Ca -0.43 0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.51 3i8v h LEU 538 Cb 1.36 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.42 3i8v h LEU 538 CO 0.55 0.04 0.50 -0.08 -0.34 0.00 0.00 178.44 179.11 3i8v h GLU 539 N 0.48 0.75 0.01 1.25 4.81 -2.00 0.02 114.58 119.90 3i8v h GLU 539 Ca 0.61 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.77 3i8v h GLU 539 Cb 1.19 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.40 3i8v h GLU 539 CO -0.51 0.50 -0.11 -0.07 -0.73 0.00 0.00 179.01 178.09 3i8v h LEU 540 N 0.78 0.08 -0.83 1.64 3.38 -1.40 -3.24 115.31 115.71 3i8v h LEU 540 Ca 0.34 -0.89 0.18 0.00 0.09 0.00 0.00 57.88 57.59 3i8v h LEU 540 Cb 0.31 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 40.93 3i8v h LEU 540 CO -0.12 0.96 0.35 0.22 0.09 0.00 0.00 178.44 179.94 3i8v h TYR 541 N -0.80 0.59 -0.41 1.13 3.20 -1.19 0.13 116.97 119.62 3i8v h TYR 541 Ca -0.02 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.82 3i8v h TYR 541 Cb 0.99 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 3i8v h TYR 541 CO 0.23 0.02 -0.04 0.00 -1.64 0.00 0.00 178.16 176.73 3i8v h ARG 542 N 0.44 0.69 -0.40 1.82 3.08 -1.10 -0.25 114.38 118.65 3i8v h ARG 542 Ca 0.49 -0.19 -0.08 0.00 0.07 0.00 0.00 59.98 60.27 3i8v h ARG 542 Cb 0.83 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 3i8v h ARG 542 CO -0.46 0.74 -0.05 1.96 -1.07 0.00 0.00 179.97 181.09 3i8v h GLN 543 N 0.64 0.73 -0.67 0.04 4.20 -1.21 -1.22 115.11 117.63 3i8v h GLN 543 Ca 0.12 -0.26 0.06 0.00 0.06 0.00 0.00 58.65 58.64 3i8v h GLN 543 Cb 0.46 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.13 3i8v h GLN 543 CO 0.02 0.85 0.37 -1.49 -0.67 0.00 0.00 178.83 177.91 3i8v h TRP 544 N 0.55 0.69 -0.08 2.96 -0.00 -0.67 -2.10 115.95 117.30 3i8v h TRP 544 Ca 0.11 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 59.02 3i8v h TRP 544 Cb 0.55 -0.21 -0.00 0.00 -0.00 0.00 0.00 29.16 29.49 3i8v h TRP 544 CO 0.04 0.33 0.02 1.15 -0.00 0.00 0.00 178.44 179.98 3i8v h THR 545 N 0.69 1.18 -0.96 1.49 2.02 -0.91 -1.44 112.91 114.98 3i8v h THR 545 Ca 0.30 -0.53 0.24 0.00 0.77 0.00 0.00 66.41 67.19 3i8v h THR 545 Cb 0.19 1.38 -0.12 0.00 -1.74 0.00 0.00 68.15 67.86 3i8v h THR 545 CO -0.18 0.15 0.52 0.44 0.37 0.00 0.00 175.52 176.82 3i8v h ASP 546 N -0.07 0.55 -0.09 4.18 3.32 -1.08 -2.07 116.42 121.16 3i8v h ASP 546 Ca 0.03 0.14 -0.12 0.00 0.02 0.00 0.00 57.03 57.10 3i8v h ASP 546 Cb 0.22 0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.84 3i8v h ASP 546 CO -0.00 0.06 -0.42 0.03 -1.72 0.00 0.00 179.24 177.19 3i8v h ARG 547 N 0.51 0.45 -0.29 3.56 3.08 -0.83 -2.49 114.38 118.36 3i8v h ARG 547 Ca 0.61 -0.36 -0.09 0.00 0.07 0.00 0.00 59.98 60.22 3i8v h ARG 547 Cb 1.17 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 3i8v h ARG 547 CO -0.50 0.99 -0.18 0.97 -1.07 0.00 0.00 179.97 180.18 3i8v h ILE 548 N 0.01 1.25 -0.24 2.04 6.09 -0.95 -1.98 117.51 123.73 3i8v h ILE 548 Ca -0.03 -1.16 -0.11 0.00 -1.37 0.00 0.00 64.86 62.19 3i8v h ILE 548 Cb 1.07 1.23 -0.00 0.00 0.47 0.00 0.00 36.82 39.58 3i8v h ILE 548 CO 0.09 0.38 -0.26 0.24 -3.07 0.00 0.00 178.15 175.52 3i8v h MET 549 N 0.48 0.61 -0.74 2.19 2.86 -1.42 0.11 114.93 119.02 3i8v h MET 549 Ca 0.08 -0.33 0.10 0.00 -2.06 0.00 0.00 59.70 57.49 3i8v h MET 549 Cb 0.59 0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.19 3i8v h MET 549 CO 0.04 0.93 0.37 0.00 1.06 0.00 0.00 176.91 179.31 3i8v h ALA 550 N 0.67 1.04 -0.17 6.32 0.00 -1.32 0.25 119.26 126.05 3i8v h ALA 550 Ca 0.04 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3i8v h ALA 550 Cb 0.83 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3i8v h ALA 550 CO 0.06 -0.05 -0.11 1.49 0.00 0.00 0.00 179.25 180.64 3i8v h GLU 551 N 0.61 0.37 -0.40 0.00 4.81 -1.09 -2.00 114.58 116.87 3i8v h GLU 551 Ca 0.37 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 59.47 3i8v h GLU 551 Cb 0.42 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 3i8v h GLU 551 CO -0.29 0.70 0.18 0.74 -0.73 0.00 0.00 179.01 179.61 3i8v h PHE 552 N 0.04 0.32 -0.74 0.92 -1.00 -0.52 -2.22 116.94 113.74 3i8v h PHE 552 Ca 0.04 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.79 3i8v h PHE 552 Cb 0.60 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 40.05 3i8v h PHE 552 CO 0.07 0.15 0.29 0.74 -1.61 0.00 0.00 178.31 177.95 3i8v h PHE 553 N 0.36 1.12 -0.89 -0.55 0.04 -0.49 -0.98 116.94 115.56 3i8v h PHE 553 Ca 0.18 -0.08 0.01 0.00 2.80 0.00 0.00 57.97 60.88 3i8v h PHE 553 Cb 0.12 -0.34 -0.05 0.00 2.20 0.00 0.00 35.95 37.89 3i8v h PHE 553 CO -0.12 0.85 0.59 0.37 -0.60 0.00 0.00 178.31 179.40 3i8v h GLN 554 N 1.08 1.15 -0.38 1.51 4.15 -1.22 0.85 115.11 122.24 3i8v h GLN 554 Ca 0.25 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.58 3i8v h GLN 554 Cb 0.21 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 3i8v h GLN 554 CO -0.02 0.76 0.18 0.37 -1.93 0.00 0.00 178.83 178.19 3i8v h GLN 555 N 1.19 0.55 -0.74 1.69 4.15 -0.73 -2.04 115.11 119.18 3i8v h GLN 555 Ca 0.33 -0.08 0.04 0.00 0.77 0.00 0.00 58.65 59.71 3i8v h GLN 555 Cb -0.11 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 27.44 3i8v h GLN 555 CO -0.08 0.50 0.46 0.78 -1.93 0.00 0.00 178.83 178.56 3i8v h GLY 556 N 0.48 1.08 0.92 2.39 0.00 -0.77 0.26 103.07 107.43 3i8v h GLY 556 Ca 0.13 -0.34 0.03 0.00 0.00 0.00 0.00 47.33 47.14 3i8v h GLY 556 CO -0.02 0.28 0.57 -0.55 0.00 0.00 0.00 176.54 176.82 3i8v h ASP 557 N 0.89 0.96 -0.30 0.19 3.32 -0.61 -0.09 116.42 120.78 3i8v h ASP 557 Ca 0.31 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.19 3i8v h ASP 557 Cb 0.06 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3i8v h ASP 557 CO -0.13 0.67 -0.41 0.03 -1.72 0.00 0.00 179.24 177.69 3i8v h ARG 558 N 1.13 0.86 -0.59 3.56 3.08 -0.63 -1.91 114.38 119.88 3i8v h ARG 558 Ca 0.34 -0.46 0.01 0.00 0.07 0.00 0.00 59.98 59.94 3i8v h ARG 558 Cb -0.04 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3i8v h ARG 558 CO -0.10 1.10 0.39 0.93 -1.07 0.00 0.00 179.97 181.21 3i8v h GLU 559 N 0.70 0.76 -0.51 0.04 5.08 -0.59 -2.51 114.58 117.55 3i8v h GLU 559 Ca 0.05 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3i8v h GLU 559 Cb 0.98 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 3i8v h GLU 559 CO 0.09 0.50 0.21 -0.09 -1.00 0.00 0.00 179.01 178.73 3i8v h ARG 560 N 0.78 0.76 -0.64 2.33 2.43 -0.91 -0.65 114.38 118.48 3i8v h ARG 560 Ca 0.22 -0.13 0.09 0.00 -0.81 0.00 0.00 59.98 59.34 3i8v h ARG 560 Cb -0.07 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.31 3i8v h ARG 560 CO -0.06 0.67 0.43 0.93 -1.51 0.00 0.00 179.97 180.43 3i8v h GLU 561 N 0.69 0.51 -0.01 0.20 5.08 -1.23 -2.28 114.58 117.54 3i8v h GLU 561 Ca 0.17 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3i8v h GLU 561 Cb 0.19 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3i8v h GLU 561 CO -0.02 0.34 -0.39 0.54 -1.00 0.00 0.00 179.01 178.49 3i8v n ARG 562 N -4.48 0.67 -1.10 2.33 1.74 -0.71 -4.93 116.66 110.18 3i8v n ARG 562 Ca 0.10 -0.44 -0.04 0.00 -0.77 0.00 0.00 57.85 56.71 3i8v n ARG 562 Cb 0.32 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.26 3i8v n ARG 562 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i8v n GLY 563 N 1.39 0.64 3.84 -0.13 0.00 -0.40 -5.02 105.19 105.51 3i8v n GLY 563 Ca 0.10 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 3i8v n GLY 563 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i8v s MET 564 N -1.73 3.54 0.08 1.61 -1.94 -0.39 -5.01 119.30 115.46 3i8v s MET 564 Ca 0.00 0.95 -0.31 0.00 -1.71 0.00 0.00 55.69 54.62 3i8v s MET 564 Cb 0.00 -2.07 -0.08 0.00 2.01 0.00 0.00 34.83 34.69 3i8v s MET 564 CO 0.00 -0.61 1.46 -2.00 -0.01 0.00 0.00 175.02 173.86 3i8v s GLU 565 N -4.56 4.27 -0.06 2.03 2.56 -1.26 -4.43 118.70 117.27 3i8v s GLU 565 Ca 0.59 2.13 -0.30 0.00 0.00 0.00 0.00 54.97 57.38 3i8v s GLU 565 Cb -0.12 -3.39 -0.04 0.00 2.00 0.00 0.00 34.13 32.58 3i8v s GLU 565 CO 0.43 -0.55 1.33 0.42 -0.56 0.00 0.00 175.26 176.33 3i8v s ILE 566 N 1.75 3.99 0.86 -3.70 1.01 -1.26 -4.99 121.20 118.85 3i8v s ILE 566 Ca 0.67 1.31 -0.13 0.00 0.00 0.00 0.00 60.65 62.50 3i8v s ILE 566 Cb -0.37 -3.84 0.06 0.00 0.01 0.00 0.00 42.46 38.32 3i8v s ILE 566 CO 0.30 -0.04 0.86 -1.20 0.00 0.00 0.00 174.94 174.87 3i8v n SER 567 N 5.72 -0.32 -4.65 3.58 7.64 -1.26 -4.88 113.62 119.45 3i8v n SER 567 Ca 0.13 0.48 -0.46 0.00 1.01 0.00 0.00 58.87 60.03 3i8v n SER 567 Cb 0.45 -1.37 -0.04 0.00 -1.01 0.00 0.00 64.21 62.24 3i8v n SER 567 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3i8v n PRO 568 N -2.63 1.85 -1.56 1.43 -0.02 -1.26 -1.99 135.00 130.82 3i8v n PRO 568 Ca 0.11 0.66 -0.19 0.00 -2.02 0.00 0.00 63.50 62.06 3i8v n PRO 568 Cb 0.51 -2.32 -0.08 0.00 -0.02 0.00 0.00 33.50 31.59 3i8v n PRO 568 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3i8v n MET 569 N 2.38 -1.49 -0.15 -0.52 2.81 -1.26 -4.85 117.12 114.04 3i8v n MET 569 Ca 0.14 1.18 0.11 0.00 -1.81 0.00 0.00 57.70 57.32 3i8v n MET 569 Cb 0.29 -5.57 0.18 0.00 -0.71 0.00 0.00 33.22 27.41 3i8v n MET 569 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i8v s ASP 571 N -1.44 6.18 0.46 0.00 -1.08 -1.26 -3.48 116.67 116.04 3i8v s ASP 571 Ca 0.34 -0.90 0.16 0.00 -0.52 0.00 0.00 52.55 51.63 3i8v s ASP 571 Cb 0.20 -2.23 1.06 0.00 -1.46 0.00 0.00 42.92 40.50 3i8v s ASP 571 CO 0.29 -0.66 2.00 0.07 0.52 0.00 0.00 175.17 177.39 3i8v h LYS 572 N 8.79 0.00 0.00 4.34 2.10 -1.89 -2.69 116.57 127.22 3i8v h LYS 572 Ca -0.27 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.33 3i8v h LYS 572 Cb 1.11 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.43 3i8v h LYS 572 CO 0.85 0.18 -0.25 0.45 -2.00 0.00 0.00 179.45 178.68 3i8v h HIS 573 N 0.00 0.00 -1.42 0.07 3.86 -2.00 -3.37 115.15 112.29 3i8v h HIS 573 Ca -0.00 0.00 -0.43 0.00 -1.16 0.00 0.00 60.37 58.78 3i8v h HIS 573 Cb 0.33 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.39 3i8v h HIS 573 CO 0.00 0.25 -1.12 0.25 0.86 0.00 0.00 177.93 178.17 3i8v n THR 574 N -3.35 0.90 -4.24 2.45 -2.24 -1.02 -5.09 114.28 101.71 3i8v n THR 574 Ca 0.01 -3.84 -0.17 0.00 -2.27 0.00 0.00 64.05 57.77 3i8v n THR 574 Cb 0.48 0.08 -0.14 0.00 -2.10 0.00 0.00 70.33 68.64 3i8v n THR 574 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i8v s ALA 575 N -2.98 0.56 -0.42 6.98 0.00 -1.21 -4.91 121.76 119.79 3i8v s ALA 575 Ca 0.34 -0.31 -0.05 0.00 0.00 0.00 0.00 51.96 51.94 3i8v s ALA 575 Cb 0.41 -0.14 0.10 0.00 0.00 0.00 0.00 23.12 23.50 3i8v s ALA 575 CO -0.03 0.13 0.23 0.45 0.00 0.00 0.00 175.76 176.55 3i8v s SER 576 N -0.21 5.41 0.26 0.00 0.15 -1.26 -4.95 113.70 113.09 3i8v s SER 576 Ca 0.02 -1.86 -0.01 0.00 0.70 0.00 0.00 55.95 54.81 3i8v s SER 576 Cb -0.03 -1.89 0.54 0.00 -1.71 0.00 0.00 66.02 62.93 3i8v s SER 576 CO -0.00 -0.56 1.76 0.58 1.20 0.00 0.00 173.24 176.22 3i8v h VAL 577 N 6.27 0.71 -0.02 4.45 2.07 -1.99 -1.57 116.25 126.17 3i8v h VAL 577 Ca -0.17 -0.21 -0.18 0.00 0.82 0.00 0.00 66.70 66.96 3i8v h VAL 577 Cb 1.06 0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3i8v h VAL 577 CO 0.74 0.11 -0.70 -0.33 0.02 0.00 0.00 177.57 177.40 3i8v h GLU 578 N 0.61 0.52 -0.80 1.57 3.07 -1.92 -2.32 114.58 115.30 3i8v h GLU 578 Ca 0.47 -0.53 -0.04 0.00 -0.50 0.00 0.00 59.36 58.76 3i8v h GLU 578 Cb 0.68 0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 28.69 3i8v h GLU 578 CO -0.37 1.16 0.36 0.87 -1.40 0.00 0.00 179.01 179.63 3i8v h LYS 579 N 0.08 1.17 -0.52 2.33 1.57 -1.81 -1.82 116.57 117.59 3i8v h LYS 579 Ca -0.08 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 3i8v h LYS 579 Cb 1.39 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 3i8v h LYS 579 CO 0.14 0.92 0.26 0.77 -0.57 0.00 0.00 179.45 180.97 3i8v h SER 580 N 1.15 0.67 -0.79 0.86 0.02 -1.29 0.28 113.55 114.45 3i8v h SER 580 Ca 0.27 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 3i8v h SER 580 Cb 0.15 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 3i8v h SER 580 CO -0.03 0.59 0.46 1.56 -1.14 0.00 0.00 176.83 178.27 3i8v h GLN 581 N 0.69 1.08 -0.16 3.45 1.08 -1.22 0.54 115.11 120.57 3i8v h GLN 581 Ca 0.18 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 3i8v h GLN 581 Cb 0.09 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 3i8v h GLN 581 CO -0.03 0.78 0.08 0.28 -0.95 0.00 0.00 178.83 178.99 3i8v h VAL 582 N 1.09 1.13 -0.88 -0.54 2.07 -0.77 -1.53 116.25 116.82 3i8v h VAL 582 Ca 0.28 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.48 3i8v h VAL 582 Cb -0.01 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 3i8v h VAL 582 CO -0.05 0.12 0.58 1.23 0.02 0.00 0.00 177.57 179.47 3i8v h GLY 583 N 0.13 1.27 0.85 2.17 0.00 -0.32 0.40 103.07 107.57 3i8v h GLY 583 Ca 0.05 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 3i8v h GLY 583 CO -0.01 0.33 0.00 -2.75 0.00 0.00 0.00 176.54 174.11 3i8v h PHE 584 N 1.04 0.00 0.15 5.60 3.57 -0.53 -1.03 116.94 125.75 3i8v h PHE 584 Ca 0.37 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.86 3i8v h PHE 584 Cb 0.12 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.86 3i8v h PHE 584 CO -0.00 0.15 -0.07 0.82 -2.23 0.00 0.00 178.31 176.98 3i8v h ILE 585 N -0.15 0.93 -0.73 1.41 2.04 -1.12 -1.35 117.51 118.54 3i8v h ILE 585 Ca 0.00 -0.38 0.04 0.00 1.00 0.00 0.00 64.86 65.53 3i8v h ILE 585 Cb 0.15 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 3i8v h ILE 585 CO -0.00 0.09 0.45 0.44 0.00 0.00 0.00 178.15 179.12 3i8v h ASP 586 N -0.39 0.71 0.31 1.72 3.32 -0.86 0.16 116.42 121.39 3i8v h ASP 586 Ca -0.02 0.01 -0.22 0.00 0.02 0.00 0.00 57.03 56.82 3i8v h ASP 586 Cb 0.30 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 3i8v h ASP 586 CO 0.03 0.48 -1.89 -1.22 -1.72 0.00 0.00 179.24 174.92 3i8v n TYR 587 N -4.68 0.47 0.06 4.55 4.02 -0.40 -4.57 117.16 116.61 3i8v n TYR 587 Ca 0.09 0.16 0.00 0.00 -0.01 0.00 0.00 57.90 58.14 3i8v n TYR 587 Cb 0.13 -0.97 0.00 0.00 -0.02 0.00 0.00 39.34 38.48 3i8v n TYR 587 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3i8v n ILE 588 N -2.75 0.92 -0.01 -0.72 2.08 -0.62 -4.79 119.36 113.47 3i8v n ILE 588 Ca -0.18 0.31 -0.16 0.00 0.56 0.00 0.00 62.75 63.27 3i8v n ILE 588 Cb 0.93 -1.40 -0.10 0.00 -0.75 0.00 0.00 39.64 38.32 3i8v n ILE 588 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3i8v h VAL 589 N 0.00 1.43 -0.22 1.39 2.07 -1.15 -2.57 116.25 117.19 3i8v h VAL 589 Ca 0.00 -1.94 -0.05 0.00 0.82 0.00 0.00 66.70 65.53 3i8v h VAL 589 Cb 0.08 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 3i8v h VAL 589 CO 0.00 0.56 -0.07 -0.74 0.02 0.00 0.00 177.57 177.34 3i8v h HIS 590 N -0.12 0.49 -0.58 1.57 -0.00 -0.93 0.12 115.15 115.70 3i8v h HIS 590 Ca -0.05 -0.11 -0.01 0.00 -0.00 0.00 0.00 60.37 60.20 3i8v h HIS 590 Cb 1.17 -0.12 -0.03 0.00 -0.00 0.00 0.00 27.41 28.43 3i8v h HIS 590 CO 0.14 0.69 0.32 -1.35 -0.00 0.00 0.00 177.93 177.72 3i8v h PRO 591 N 0.16 0.80 0.27 5.26 0.11 -1.75 0.20 132.00 137.05 3i8v h PRO 591 Ca 0.05 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 3i8v h PRO 591 Cb 0.54 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.49 3i8v h PRO 591 CO 0.02 0.59 -0.13 1.25 -0.21 0.00 0.00 178.00 179.53 3i8v h LEU 592 N 0.81 -0.31 -0.71 2.35 5.85 -1.30 -2.58 115.31 119.43 3i8v h LEU 592 Ca 0.21 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.70 3i8v h LEU 592 Cb 0.03 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3i8v h LEU 592 CO -0.03 -0.09 -0.35 -0.50 -0.34 0.00 0.00 178.44 177.13 3i8v h TRP 593 N -0.52 0.69 -0.49 1.25 4.06 -0.79 -0.78 115.95 119.37 3i8v h TRP 593 Ca -0.04 -0.19 0.03 0.00 2.06 0.00 0.00 58.89 60.76 3i8v h TRP 593 Cb 0.39 -0.15 -0.04 0.00 -1.00 0.00 0.00 29.16 28.36 3i8v h TRP 593 CO -0.02 0.86 0.28 1.49 -3.56 0.00 0.00 178.44 177.50 3i8v h GLU 594 N 0.50 0.53 -0.52 0.49 4.81 -1.02 0.44 114.58 119.81 3i8v h GLU 594 Ca 0.05 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.14 3i8v h GLU 594 Cb 0.84 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 3i8v h GLU 594 CO 0.07 0.35 -0.10 1.15 -0.73 0.00 0.00 179.01 179.75 3i8v h THR 595 N 0.55 1.27 -0.09 0.32 2.02 -1.26 -0.52 112.91 115.20 3i8v h THR 595 Ca 0.20 -1.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.14 3i8v h THR 595 Cb 0.05 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3i8v h THR 595 CO -0.11 0.44 0.04 -0.25 0.37 0.00 0.00 175.52 176.00 3i8v h TRP 596 N 0.86 0.13 -0.83 3.16 2.91 -0.66 -1.82 115.95 119.71 3i8v h TRP 596 Ca 0.14 -0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.23 3i8v h TRP 596 Cb 0.65 -0.04 -0.06 0.00 -0.51 0.00 0.00 29.16 29.21 3i8v h TRP 596 CO 0.04 0.22 0.54 0.00 -1.03 0.00 0.00 178.44 178.21 3i8v h ALA 597 N 0.89 1.67 -0.66 2.65 0.00 0.07 -0.94 119.26 122.95 3i8v h ALA 597 Ca 0.03 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3i8v h ALA 597 Cb 0.14 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3i8v h ALA 597 CO -0.00 0.17 0.16 -0.44 0.00 0.00 0.00 179.25 179.14 3i8v h ASP 598 N 0.83 1.01 -0.17 0.00 5.19 -0.89 -0.13 116.42 122.25 3i8v h ASP 598 Ca 0.37 -0.23 0.02 0.00 -0.62 0.00 0.00 57.03 56.57 3i8v h ASP 598 Cb 0.35 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.58 3i8v h ASP 598 CO -0.14 0.98 0.04 0.25 -3.12 0.00 0.00 179.24 177.25 3i8v h LEU 599 N 0.99 0.03 -2.72 1.55 5.85 -0.34 -3.21 115.31 117.45 3i8v h LEU 599 Ca 0.21 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3i8v h LEU 599 Cb 0.37 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3i8v h LEU 599 CO 0.00 0.04 0.00 1.33 -0.34 0.00 0.00 178.44 179.47 3i8v n VAL 600 N -5.08 1.33 -1.56 1.05 0.24 -0.61 -4.97 118.33 108.74 3i8v n VAL 600 Ca -0.03 -1.01 -0.56 0.00 -2.04 0.00 0.00 64.34 60.70 3i8v n VAL 600 Cb 0.08 0.26 -0.07 0.00 -1.47 0.00 0.00 33.84 32.64 3i8v n VAL 600 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3i8v n HIS 601 N 1.25 1.18 -0.85 6.34 -0.00 -0.07 -1.41 115.22 121.66 3i8v n HIS 601 Ca 0.23 0.83 0.08 0.00 -0.00 0.00 0.00 57.72 58.86 3i8v n HIS 601 Cb 0.72 -2.23 0.37 0.00 -0.00 0.00 0.00 29.99 28.84 3i8v n HIS 601 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3i8v n PRO 602 N 2.25 4.31 0.29 1.57 -0.04 -1.26 -5.00 135.00 137.12 3i8v n PRO 602 Ca 0.20 -3.04 0.15 0.00 -0.04 0.00 0.00 63.50 60.77 3i8v n PRO 602 Cb 0.13 -2.11 0.91 0.00 -0.04 0.00 0.00 33.50 32.40 3i8v n PRO 602 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3i8v h ASP 603 N 3.62 0.00 -0.48 3.54 3.32 -1.54 -2.17 116.42 122.70 3i8v h ASP 603 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3i8v h ASP 603 Cb 1.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.32 3i8v h ASP 603 CO 0.39 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.91 3i8v n ALA 604 N -2.32 2.65 -0.13 3.45 0.00 -1.26 -4.65 120.51 118.25 3i8v n ALA 604 Ca -0.03 -1.53 -0.04 0.00 0.00 0.00 0.00 53.44 51.84 3i8v n ALA 604 Cb 0.10 -0.73 0.04 0.00 0.00 0.00 0.00 19.45 18.85 3i8v n ALA 604 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3i8v h GLN 605 N 2.94 0.16 -0.64 0.00 5.75 -1.74 -1.90 115.11 119.67 3i8v h GLN 605 Ca 0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 3i8v h GLN 605 Cb 1.14 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.62 3i8v h GLN 605 CO 0.12 0.10 0.40 1.49 -2.65 0.00 0.00 178.83 178.29 3i8v h GLU 606 N 0.16 0.85 -0.54 1.69 4.81 -1.84 -1.49 114.58 118.23 3i8v h GLU 606 Ca 0.20 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3i8v h GLU 606 Cb 0.27 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3i8v h GLU 606 CO -0.30 0.59 0.25 0.82 -0.73 0.00 0.00 179.01 179.64 3i8v h ILE 607 N 0.88 1.20 -0.62 2.32 2.04 -1.70 -1.92 117.51 119.71 3i8v h ILE 607 Ca 0.23 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 3i8v h ILE 607 Cb -0.06 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 3i8v h ILE 607 CO -0.05 0.23 0.25 0.25 0.00 0.00 0.00 178.15 178.83 3i8v h LEU 608 N 0.73 0.85 -0.38 1.44 5.85 -0.80 -2.10 115.31 120.90 3i8v h LEU 608 Ca 0.19 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3i8v h LEU 608 Cb 0.13 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3i8v h LEU 608 CO -0.02 0.79 0.23 0.44 -0.34 0.00 0.00 178.44 179.54 3i8v h ASP 609 N 0.86 0.46 -0.67 1.25 3.32 -1.06 -1.38 116.42 119.21 3i8v h ASP 609 Ca 0.21 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3i8v h ASP 609 Cb 0.20 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 3i8v h ASP 609 CO -0.02 0.37 0.43 0.74 -1.72 0.00 0.00 179.24 179.05 3i8v h THR 610 N 0.50 1.18 -0.28 0.35 2.02 -1.27 -1.22 112.91 114.18 3i8v h THR 610 Ca 0.14 -0.33 0.02 0.00 0.77 0.00 0.00 66.41 67.00 3i8v h THR 610 Cb -0.00 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 3i8v h THR 610 CO -0.03 0.17 0.14 0.25 0.37 0.00 0.00 175.52 176.42 3i8v h LEU 611 N 0.90 0.20 -0.46 2.58 5.85 -0.97 0.17 115.31 123.58 3i8v h LEU 611 Ca 0.24 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 3i8v h LEU 611 Cb -0.09 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 3i8v h LEU 611 CO -0.05 0.15 0.23 -0.33 -0.34 0.00 0.00 178.44 178.10 3i8v h GLU 612 N 0.29 0.66 -0.80 1.25 5.08 -0.96 -0.30 114.58 119.80 3i8v h GLU 612 Ca 0.12 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3i8v h GLU 612 Cb 0.04 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 3i8v h GLU 612 CO -0.08 0.56 0.43 -0.44 -1.00 0.00 0.00 179.01 178.48 3i8v h ASP 613 N 0.60 1.00 0.27 1.42 3.32 -0.87 -2.13 116.42 120.03 3i8v h ASP 613 Ca 0.16 -0.09 -0.16 0.00 0.02 0.00 0.00 57.03 56.96 3i8v h ASP 613 Cb 0.11 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3i8v h ASP 613 CO -0.02 0.81 -0.63 0.78 -1.72 0.00 0.00 179.24 178.46 3i8v h ASN 614 N 1.12 0.39 -0.14 6.45 2.35 -0.31 -2.34 115.58 123.10 3i8v h ASN 614 Ca 0.28 -0.23 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3i8v h ASN 614 Cb 0.04 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3i8v h ASN 614 CO -0.04 0.92 0.08 -0.09 -1.65 0.00 0.00 177.43 176.65 3i8v h ARG 615 N 0.25 0.19 -0.59 0.81 1.12 -0.82 -2.44 114.38 112.90 3i8v h ARG 615 Ca -0.01 -0.02 0.10 0.00 -1.11 0.00 0.00 59.98 58.94 3i8v h ARG 615 Cb 1.16 -0.04 -0.07 0.00 -0.01 0.00 0.00 29.97 31.00 3i8v h ARG 615 CO 0.10 0.18 0.19 -0.44 -3.11 0.00 0.00 179.97 176.90 3i8v h ASP 616 N 0.14 0.15 -0.21 -3.80 3.32 -1.29 0.44 116.42 115.16 3i8v h ASP 616 Ca 0.05 0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.21 3i8v h ASP 616 Cb 0.05 0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3i8v h ASP 616 CO -0.01 0.09 0.07 -0.25 -1.72 0.00 0.00 179.24 177.42 3i8v h TRP 617 N 0.35 0.12 0.00 4.55 7.01 -1.17 0.37 115.95 127.18 3i8v h TRP 617 Ca 0.30 0.01 -0.10 0.00 2.11 0.00 0.00 58.89 61.22 3i8v h TRP 617 Cb 0.40 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.42 3i8v h TRP 617 CO -0.19 0.05 -0.46 1.88 -2.79 0.00 0.00 178.44 176.93 3i8v h TYR 618 N 0.16 0.00 0.07 2.65 0.05 -1.01 -1.00 116.97 117.90 3i8v h TYR 618 Ca 0.09 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.87 3i8v h TYR 618 Cb 0.07 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.81 3i8v h TYR 618 CO -0.13 0.46 -0.03 -0.92 -1.05 0.00 0.00 178.16 176.49 3i8v h TYR 619 N 0.00 -0.09 0.00 4.88 3.20 -0.07 -2.54 116.97 122.35 3i8v h TYR 619 Ca -0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3i8v h TYR 619 Cb 0.82 0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.12 3i8v h TYR 619 CO 0.00 0.26 0.00 -1.13 -1.64 0.00 0.00 178.16 175.65 3i8v n SER 620 N -4.97 0.00 -0.21 -2.11 3.41 0.12 -2.07 113.62 107.79 3i8v n SER 620 Ca -0.08 -0.13 0.11 0.00 -0.26 0.00 0.00 58.87 58.51 3i8v n SER 620 Cb 0.21 -0.26 -0.02 0.00 -0.26 0.00 0.00 64.21 63.87 3i8v n SER 620 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i8v n ALA 621 N -1.26 4.12 0.00 7.33 0.00 -0.39 -5.06 120.51 125.25 3i8v n ALA 621 Ca 0.12 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.97 3i8v n ALA 621 Cb 0.18 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3i8v n ALA 621 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61