============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 5 1.000 -6.391 45.954 15.447 -99.200 -91.000 HIS 15 0.900 -2.762 50.712 23.627 -99.200 -91.000 TYR 25 0.840 -12.839 63.884 41.069 -99.200 -91.000 PHE 36 1.000 -22.897 64.876 28.949 -99.200 -91.000 TRP 46 1.040 -10.665 55.306 24.128 -99.200 -91.000 TRP6 46 1.020 -12.460 55.000 22.616 -99.200 -91.000 PHE 53 1.000 -10.098 57.384 15.133 -99.200 -91.000 TRP 69 1.040 -20.341 63.390 19.602 -99.200 -91.000 TRP6 69 1.020 -21.098 64.498 21.533 -99.200 -91.000 PHE 90 1.000 -25.416 61.522 34.086 -99.200 -91.000 TYR 130 0.840 -16.182 50.357 29.383 -99.200 -91.000 HIS 145 0.900 -21.590 63.732 6.542 -99.200 -91.000 HIS 160 0.900 -17.147 40.346 15.014 -99.200 -91.000 TYR 166 0.840 -11.504 38.900 27.071 -99.200 -91.000 HIS 193 0.900 -32.667 67.112 27.832 -99.200 -91.000 PHE 194 1.000 -27.044 67.393 27.521 -99.200 -91.000 TYR 195 0.840 -29.621 70.592 17.254 -99.200 -91.000 HIS 206 0.900 -17.034 75.325 27.895 -99.200 -91.000 PHE 209 1.000 -22.252 69.459 24.718 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1xb7A1 LEU 282 HA -0.20 0.03 0.20 -0.75 4.35 3.62 1xb7A1 LEU 282 HB2 -0.09 -0.06 0.02 -0.04 1.64 1.47 1xb7A1 LEU 282 HB3 -0.18 -0.01 -0.08 -0.04 1.64 1.33 1xb7A1 LEU 282 HG -0.10 -0.03 0.02 -0.04 1.64 1.49 1xb7A1 LEU 282 HD13 -0.04 0.04 -0.09 -0.04 0.93 0.80 1xb7A1 LEU 282 HD23 -0.39 0.01 0.04 -0.04 0.89 0.51 1xb7A1 GLU 283 H -0.06 0.25 0.11 -0.55 8.60 8.36 1xb7A1 GLU 283 HA -0.11 0.07 0.34 -0.75 4.29 3.84 1xb7A1 GLU 283 HB2 0.01 0.04 0.13 -0.04 2.09 2.22 1xb7A1 GLU 283 HB3 0.07 0.03 -0.01 -0.04 1.99 2.04 1xb7A1 GLU 283 HG2 0.15 0.05 0.03 -0.04 2.34 2.54 1xb7A1 GLU 283 HG3 0.08 -0.12 0.05 -0.04 2.34 2.30 1xb7A1 VAL 284 H -0.06 0.18 -0.31 -0.55 8.24 7.49 1xb7A1 VAL 284 HA -0.00 0.07 0.48 -0.75 4.13 3.92 1xb7A1 VAL 284 HB -0.03 0.01 0.06 -0.04 2.12 2.12 1xb7A1 VAL 284 HG13 -0.07 0.03 -0.12 -0.04 0.97 0.76 1xb7A1 VAL 284 HG23 -0.02 0.00 0.02 -0.04 0.95 0.92 1xb7A1 LEU 285 H -0.19 0.50 -0.36 -0.55 8.37 7.78 1xb7A1 LEU 285 HA -0.09 0.02 0.42 -0.75 4.35 3.95 1xb7A1 LEU 285 HB2 -0.39 0.15 0.05 -0.04 1.64 1.40 1xb7A1 LEU 285 HB3 -0.19 -0.06 0.04 -0.04 1.64 1.38 1xb7A1 LEU 285 HG -0.22 -0.02 0.03 -0.04 1.64 1.39 1xb7A1 LEU 285 HD13 -0.37 0.02 0.05 -0.04 0.93 0.59 1xb7A1 LEU 285 HD23 -0.10 -0.02 -0.14 -0.04 0.89 0.59 1xb7A1 PHE 286 H -0.08 0.43 -0.38 -0.55 8.34 7.76 1xb7A1 PHE 286 HA 0.00 0.13 0.66 -0.75 4.62 4.66 1xb7A1 PHE 286 HB2 -0.00 0.13 0.09 -0.04 3.15 3.32 1xb7A1 PHE 286 HB3 0.00 -0.03 0.05 -0.04 3.06 3.04 1xb7A1 PHE 286 HD2 0.00 0.02 -0.03 -0.04 7.28 7.23 1xb7A1 PHE 286 HE2 0.01 -0.03 -0.29 -0.04 7.38 7.03 1xb7A1 PHE 286 HZ 0.00 0.17 -0.08 -0.04 7.32 7.37 1xb7A1 GLN 287 H 0.06 0.22 -0.30 -0.55 8.47 7.91 1xb7A1 GLN 287 HA 0.07 0.11 0.53 -0.75 4.36 4.31 1xb7A1 GLN 287 HB2 0.03 0.04 0.18 -0.04 2.15 2.35 1xb7A1 GLN 287 HB3 0.03 -0.03 0.02 -0.04 2.02 1.99 1xb7A1 GLN 287 HG2 0.04 -0.01 -0.00 -0.04 2.40 2.38 1xb7A1 GLN 287 HG3 0.08 0.00 -0.14 -0.04 2.39 2.29 1xb7A1 GLN 287 HE21 0.04 -0.07 -0.12 -0.04 6.97 6.78 1xb7A1 GLN 287 HE22 0.09 0.05 -0.09 -0.04 7.69 7.70 1xb7A1 GLY 288 H 0.02 0.24 -0.00 -0.55 8.43 8.14 1xb7A1 GLY 288 HA2 0.02 0.07 0.54 -0.51 4.01 4.13 1xb7A1 GLY 288 HA3 0.01 -0.02 0.33 -0.51 4.01 3.83 1xb7A1 PRO 289 HA 0.03 0.16 0.55 -0.51 4.44 4.67 1xb7A1 PRO 289 HB2 0.03 -0.13 -0.01 -0.04 2.28 2.12 1xb7A1 PRO 289 HB3 0.02 0.07 0.12 -0.04 2.02 2.19 1xb7A1 PRO 289 HG2 0.01 0.02 0.08 -0.04 2.03 2.11 1xb7A1 PRO 289 HG3 0.01 0.09 0.09 -0.04 2.03 2.18 1xb7A1 PRO 289 HD2 0.01 0.06 0.20 -0.04 3.68 3.91 1xb7A1 PRO 289 HD3 0.01 0.14 0.21 -0.04 3.65 3.98 1xb7A1 VAL 290 H 0.05 0.18 0.15 -0.55 8.24 8.07 1xb7A1 VAL 290 HA 0.07 0.20 0.16 -0.75 4.13 3.81 1xb7A1 VAL 290 HB 0.08 0.08 0.11 -0.04 2.12 2.35 1xb7A1 VAL 290 HG13 0.11 -0.00 -0.17 -0.04 0.97 0.87 1xb7A1 VAL 290 HG23 0.13 0.05 0.06 -0.04 0.95 1.15 1xb7A1 ASN 291 H 0.06 0.10 -0.19 -0.55 8.53 7.95 1xb7A1 ASN 291 HA 0.11 0.06 0.42 -0.75 4.76 4.60 1xb7A1 ASN 291 HB2 0.07 0.04 0.08 -0.04 2.88 3.02 1xb7A1 ASN 291 HB3 0.06 0.02 0.09 -0.04 2.79 2.92 1xb7A1 ASN 291 HD21 0.03 0.02 -0.07 -0.04 7.03 6.96 1xb7A1 ASN 291 HD22 0.04 0.01 -0.06 -0.04 7.74 7.69 1xb7A1 ALA 292 H 0.04 0.31 -0.25 -0.55 8.40 7.96 1xb7A1 ALA 292 HA 0.03 0.04 0.46 -0.75 4.34 4.11 1xb7A1 ALA 292 HB3 0.00 0.04 0.06 -0.04 1.41 1.47 1xb7A1 LEU 293 H 0.03 0.26 -0.16 -0.55 8.37 7.95 1xb7A1 LEU 293 HA -0.01 0.03 0.41 -0.75 4.35 4.03 1xb7A1 LEU 293 HB2 0.01 0.17 0.12 -0.04 1.64 1.90 1xb7A1 LEU 293 HB3 0.05 0.05 0.13 -0.04 1.64 1.83 1xb7A1 LEU 293 HG -0.13 0.07 -0.11 -0.04 1.64 1.42 1xb7A1 LEU 293 HD13 0.13 -0.01 -0.06 -0.04 0.93 0.95 1xb7A1 LEU 293 HD23 -0.06 -0.02 -0.01 -0.04 0.89 0.75 1xb7A1 VAL 294 H 0.05 0.55 -0.07 -0.55 8.24 8.23 1xb7A1 VAL 294 HA 0.00 0.04 0.28 -0.75 4.13 3.69 1xb7A1 VAL 294 HB 0.07 0.05 0.14 -0.04 2.12 2.33 1xb7A1 VAL 294 HG13 -0.05 -0.01 -0.09 -0.04 0.97 0.78 1xb7A1 VAL 294 HG23 0.02 0.04 -0.01 -0.04 0.95 0.95 1xb7A1 SER 295 H 0.05 0.57 -0.14 -0.55 8.46 8.39 1xb7A1 SER 295 HA 0.03 -0.00 0.49 -0.75 4.49 4.25 1xb7A1 SER 295 HB2 0.03 -0.05 0.07 -0.04 3.95 3.97 1xb7A1 SER 295 HB3 0.04 0.02 0.13 -0.04 3.93 4.08 1xb7A1 HIS 296 H 0.11 0.54 -0.14 -0.55 8.41 8.37 1xb7A1 HIS 296 HA -0.01 -0.02 0.50 -0.75 4.63 4.35 1xb7A1 HIS 296 HB2 -0.04 -0.04 0.15 -0.04 3.26 3.29 1xb7A1 HIS 296 HB3 -0.05 0.16 0.21 -0.04 3.20 3.47 1xb7A1 HIS 296 HD2 -0.11 0.00 -0.01 -0.04 6.97 6.81 1xb7A1 HIS 296 HE1 -0.03 -0.05 0.03 -0.04 7.75 7.66 1xb7A1 LEU 297 H 0.01 0.45 -0.18 -0.55 8.37 8.10 1xb7A1 LEU 297 HA -0.14 0.07 0.30 -0.75 4.35 3.83 1xb7A1 LEU 297 HB2 -0.00 0.06 0.09 -0.04 1.64 1.75 1xb7A1 LEU 297 HB3 0.03 -0.05 -0.04 -0.04 1.64 1.54 1xb7A1 LEU 297 HG 0.03 0.19 0.01 -0.04 1.64 1.82 1xb7A1 LEU 297 HD13 0.02 -0.01 -0.18 -0.04 0.93 0.73 1xb7A1 LEU 297 HD23 -0.01 0.00 -0.04 -0.04 0.89 0.80 1xb7A1 LEU 298 H -0.01 0.48 -0.09 -0.55 8.37 8.21 1xb7A1 LEU 298 HA 0.02 0.02 0.53 -0.75 4.35 4.17 1xb7A1 LEU 298 HB2 0.01 0.08 0.15 -0.04 1.64 1.84 1xb7A1 LEU 298 HB3 0.02 -0.05 0.02 -0.04 1.64 1.58 1xb7A1 LEU 298 HG 0.00 0.15 0.05 -0.04 1.64 1.81 1xb7A1 LEU 298 HD13 0.02 -0.05 -0.06 -0.04 0.93 0.80 1xb7A1 LEU 298 HD23 0.03 -0.03 -0.11 -0.04 0.89 0.74 1xb7A1 VAL 299 H -0.04 0.50 -0.18 -0.55 8.24 7.96 1xb7A1 VAL 299 HA -0.00 -0.01 0.41 -0.75 4.13 3.77 1xb7A1 VAL 299 HB -0.05 0.13 0.20 -0.04 2.12 2.36 1xb7A1 VAL 299 HG13 0.01 -0.03 -0.11 -0.04 0.97 0.81 1xb7A1 VAL 299 HG23 0.02 0.01 0.03 -0.04 0.95 0.97 1xb7A1 VAL 300 H -0.17 0.49 -0.10 -0.55 8.24 7.90 1xb7A1 VAL 300 HA 0.00 0.08 0.61 -0.75 4.13 4.07 1xb7A1 VAL 300 HB -0.00 -0.07 0.11 -0.04 2.12 2.12 1xb7A1 VAL 300 HG13 -0.28 0.02 0.01 -0.04 0.97 0.68 1xb7A1 VAL 300 HG23 -0.14 0.04 -0.10 -0.04 0.95 0.70 1xb7A1 GLU 301 H 0.03 0.22 -0.58 -0.55 8.60 7.72 1xb7A1 GLU 301 HA 0.06 -0.02 0.50 -0.75 4.29 4.08 1xb7A1 GLU 301 HB2 0.03 0.24 0.12 -0.04 2.09 2.44 1xb7A1 GLU 301 HB3 0.02 0.01 -0.10 -0.04 1.99 1.88 1xb7A1 GLU 301 HG2 0.07 0.08 0.05 -0.04 2.34 2.50 1xb7A1 GLU 301 HG3 0.09 -0.11 0.02 -0.04 2.34 2.30 1xb7A1 PRO 302 HA 0.03 0.02 0.45 -0.51 4.44 4.42 1xb7A1 PRO 302 HB2 -0.05 0.01 -0.05 -0.04 2.28 2.16 1xb7A1 PRO 302 HB3 0.00 -0.05 0.06 -0.04 2.02 1.99 1xb7A1 PRO 302 HG2 -0.19 -0.04 -0.01 -0.04 2.03 1.75 1xb7A1 PRO 302 HG3 0.02 0.09 0.04 -0.04 2.03 2.15 1xb7A1 PRO 302 HD2 -0.16 0.02 0.16 -0.04 3.68 3.65 1xb7A1 PRO 302 HD3 -0.13 0.18 0.25 -0.04 3.65 3.92 1xb7A1 GLU 303 H 0.02 0.03 0.13 -0.55 8.60 8.23 1xb7A1 GLU 303 HA 0.00 0.11 0.43 -0.75 4.29 4.08 1xb7A1 GLU 303 HB2 0.03 0.00 0.05 -0.04 2.09 2.13 1xb7A1 GLU 303 HB3 0.02 -0.08 0.13 -0.04 1.99 2.02 1xb7A1 GLU 303 HG2 0.02 0.11 0.03 -0.04 2.34 2.47 1xb7A1 GLU 303 HG3 0.03 -0.04 0.05 -0.04 2.34 2.34 1xb7A1 LYS 304 H -0.01 0.06 0.12 -0.55 8.42 8.04 1xb7A1 LYS 304 HA -0.07 0.06 0.35 -0.75 4.32 3.90 1xb7A1 LYS 304 HB2 -0.06 -0.05 -0.01 -0.04 1.87 1.71 1xb7A1 LYS 304 HB3 -0.18 -0.03 0.04 -0.04 1.79 1.58 1xb7A1 LYS 304 HG2 -0.02 -0.01 0.14 -0.04 1.46 1.53 1xb7A1 LYS 304 HG3 -0.01 -0.01 0.04 -0.04 1.46 1.43 1xb7A1 LYS 304 HD2 -0.06 -0.02 0.01 -0.04 1.69 1.58 1xb7A1 LYS 304 HD3 -0.08 0.02 0.02 -0.04 1.68 1.60 1xb7A1 LYS 304 HE2 -0.03 0.03 0.01 -0.04 2.99 2.96 1xb7A1 LYS 304 HE3 -0.03 -0.02 0.01 -0.04 2.99 2.91 1xb7A1 LEU 305 H -0.10 0.15 0.20 -0.55 8.37 8.07 1xb7A1 LEU 305 HA 0.03 0.18 0.95 -0.75 4.35 4.76 1xb7A1 LEU 305 HB2 -0.01 0.07 0.06 -0.04 1.64 1.72 1xb7A1 LEU 305 HB3 0.01 -0.02 -0.03 -0.04 1.64 1.56 1xb7A1 LEU 305 HG 0.05 0.02 0.06 -0.04 1.64 1.72 1xb7A1 LEU 305 HD13 0.04 0.03 -0.02 -0.04 0.93 0.94 1xb7A1 LEU 305 HD23 0.03 0.00 -0.09 -0.04 0.89 0.79 1xb7A1 TYR 306 H 0.21 0.23 0.13 -0.55 8.29 8.30 1xb7A1 TYR 306 HA 0.02 -0.03 0.80 -0.75 4.56 4.59 1xb7A1 TYR 306 HB2 0.00 0.07 0.05 -0.04 3.06 3.14 1xb7A1 TYR 306 HB3 0.00 -0.07 0.00 -0.04 2.98 2.88 1xb7A1 TYR 306 HD2 0.01 0.01 -0.06 -0.04 7.15 7.06 1xb7A1 TYR 306 HE2 0.00 0.06 -0.10 -0.04 6.85 6.76 1xb7A1 ALA 307 H 0.11 0.04 0.06 -0.55 8.40 8.07 1xb7A1 ALA 307 HA 0.04 0.23 0.64 -0.75 4.34 4.50 1xb7A1 ALA 307 HB3 0.02 0.03 -0.12 -0.04 1.41 1.30 1xb7A1 MET 308 H 0.09 -0.04 -0.06 -0.55 8.47 7.91 1xb7A1 MET 308 HA 0.04 0.04 0.15 -0.75 4.52 4.00 1xb7A1 MET 308 HB2 0.02 0.28 0.16 -0.04 2.15 2.57 1xb7A1 MET 308 HB3 0.01 0.01 0.09 -0.04 2.03 2.10 1xb7A1 MET 308 HG2 0.01 0.02 -0.05 -0.04 2.63 2.57 1xb7A1 MET 308 HG3 0.01 -0.03 -0.04 -0.04 2.56 2.46 1xb7A1 MET 308 HE3 0.02 0.04 -0.11 -0.04 2.10 2.00 1xb7A1 ALA 320 HA -0.04 -0.09 0.45 -0.75 4.34 3.90 1xb7A1 ALA 320 HB3 -0.04 0.02 0.18 -0.04 1.41 1.53 1xb7A1 VAL 321 H -0.04 0.20 0.18 -0.55 8.24 8.03 1xb7A1 VAL 321 HA -0.06 0.28 0.87 -0.75 4.13 4.46 1xb7A1 VAL 321 HB -0.04 -0.06 0.00 -0.04 2.12 1.98 1xb7A1 VAL 321 HG13 -0.10 0.03 0.09 -0.04 0.97 0.95 1xb7A1 VAL 321 HG23 -0.04 0.05 -0.03 -0.04 0.95 0.89 1xb7A1 ALA 322 H -0.04 0.15 0.13 -0.55 8.40 8.10 1xb7A1 ALA 322 HA -0.03 0.12 0.54 -0.75 4.34 4.22 1xb7A1 ALA 322 HB3 -0.03 0.04 0.10 -0.04 1.41 1.47 1xb7A1 THR 323 H -0.07 0.10 -0.59 -0.55 8.28 7.18 1xb7A1 THR 323 HA -0.06 0.13 0.53 -0.75 4.39 4.23 1xb7A1 THR 323 HB -0.10 0.13 -0.24 -0.04 4.32 4.06 1xb7A1 THR 323 HG23 -0.04 0.01 -0.15 -0.04 1.22 1.00 1xb7A1 LEU 324 H -0.16 0.28 -0.30 -0.55 8.37 7.63 1xb7A1 LEU 324 HA -0.45 0.05 0.39 -0.75 4.35 3.59 1xb7A1 LEU 324 HB2 -0.16 0.17 0.13 -0.04 1.64 1.74 1xb7A1 LEU 324 HB3 -0.86 -0.02 -0.03 -0.04 1.64 0.70 1xb7A1 LEU 324 HG -0.32 0.05 -0.00 -0.04 1.64 1.32 1xb7A1 LEU 324 HD13 -0.37 0.02 -0.02 -0.04 0.93 0.52 1xb7A1 LEU 324 HD23 -0.57 -0.01 -0.06 -0.04 0.89 0.21 1xb7A1 CYS 325 H -0.14 0.44 -0.16 -0.55 8.50 8.10 1xb7A1 CYS 325 HA -0.64 0.04 0.42 -0.75 4.58 3.65 1xb7A1 CYS 325 HB2 -0.07 0.06 0.09 -0.04 2.97 3.01 1xb7A1 CYS 325 HB3 -0.12 -0.06 -0.02 -0.04 2.97 2.73 1xb7A1 ASP 326 H -0.13 0.39 -0.40 -0.55 8.40 7.71 1xb7A1 ASP 326 HA 0.06 -0.03 0.55 -0.75 4.63 4.46 1xb7A1 ASP 326 HB2 0.03 0.04 0.16 -0.04 2.71 2.90 1xb7A1 ASP 326 HB3 -0.03 0.19 0.20 -0.04 2.70 3.01 1xb7A1 LEU 327 H -0.15 0.50 -0.12 -0.55 8.37 8.04 1xb7A1 LEU 327 HA 0.00 0.03 0.37 -0.75 4.35 4.01 1xb7A1 LEU 327 HB2 -0.05 0.06 0.08 -0.04 1.64 1.69 1xb7A1 LEU 327 HB3 -0.17 0.05 0.14 -0.04 1.64 1.63 1xb7A1 LEU 327 HG 0.18 -0.01 -0.21 -0.04 1.64 1.57 1xb7A1 LEU 327 HD13 0.05 -0.02 -0.13 -0.04 0.93 0.79 1xb7A1 LEU 327 HD23 0.09 0.04 -0.16 -0.04 0.89 0.82 1xb7A1 PHE 328 H -0.22 0.75 -0.12 -0.55 8.34 8.20 1xb7A1 PHE 328 HA -0.01 0.04 0.38 -0.75 4.62 4.28 1xb7A1 PHE 328 HB2 -0.69 0.07 0.09 -0.04 3.15 2.58 1xb7A1 PHE 328 HB3 0.10 -0.05 -0.03 -0.04 3.06 3.04 1xb7A1 PHE 328 HD2 -0.27 -0.03 -0.13 -0.04 7.28 6.81 1xb7A1 PHE 328 HE2 -0.24 0.01 -0.06 -0.04 7.38 7.05 1xb7A1 PHE 328 HZ 0.13 -0.02 -0.06 -0.04 7.32 7.33 1xb7A1 ASP 329 H -0.18 0.43 -0.33 -0.55 8.40 7.77 1xb7A1 ASP 329 HA 0.06 -0.01 0.43 -0.75 4.63 4.36 1xb7A1 ASP 329 HB2 -0.02 0.05 0.19 -0.04 2.71 2.89 1xb7A1 ASP 329 HB3 -0.02 0.22 0.21 -0.04 2.70 3.07 1xb7A1 ARG 330 H -0.01 0.52 -0.11 -0.55 8.46 8.31 1xb7A1 ARG 330 HA -0.01 -0.01 0.57 -0.75 4.34 4.13 1xb7A1 ARG 330 HB2 0.01 0.18 0.16 -0.04 1.90 2.21 1xb7A1 ARG 330 HB3 0.01 -0.03 0.05 -0.04 1.80 1.79 1xb7A1 ARG 330 HG2 -0.05 -0.08 0.06 -0.04 1.67 1.56 1xb7A1 ARG 330 HG3 -0.05 0.13 0.09 -0.04 1.67 1.80 1xb7A1 ARG 330 HD2 0.00 -0.01 0.02 -0.04 3.22 3.19 1xb7A1 ARG 330 HD3 -0.03 -0.05 0.01 -0.04 3.22 3.11 1xb7A1 GLU 331 H 0.08 0.40 -0.29 -0.55 8.60 8.25 1xb7A1 GLU 331 HA 0.04 0.06 0.60 -0.75 4.29 4.23 1xb7A1 GLU 331 HB2 0.12 0.07 0.13 -0.04 2.09 2.37 1xb7A1 GLU 331 HB3 0.04 -0.04 0.03 -0.04 1.99 1.99 1xb7A1 GLU 331 HG2 0.03 -0.02 0.01 -0.04 2.34 2.33 1xb7A1 GLU 331 HG3 0.07 0.06 -0.00 -0.04 2.34 2.43 1xb7A1 ILE 332 H 0.07 0.44 -0.23 -0.55 8.25 7.98 1xb7A1 ILE 332 HA 0.08 0.05 0.56 -0.75 4.18 4.11 1xb7A1 ILE 332 HB -0.04 0.14 0.13 -0.04 1.89 2.09 1xb7A1 ILE 332 HG12 -0.25 -0.05 -0.01 -0.04 1.49 1.15 1xb7A1 ILE 332 HG13 0.12 0.22 0.08 -0.04 1.21 1.60 1xb7A1 ILE 332 HG23 -0.18 -0.02 -0.10 -0.04 0.93 0.59 1xb7A1 ILE 332 HD13 -0.25 -0.03 -0.08 -0.04 0.88 0.47 1xb7A1 VAL 333 H 0.02 0.31 -0.25 -0.55 8.24 7.77 1xb7A1 VAL 333 HA 0.02 0.01 0.33 -0.75 4.13 3.74 1xb7A1 VAL 333 HB 0.01 0.17 0.17 -0.04 2.12 2.43 1xb7A1 VAL 333 HG13 0.01 -0.01 -0.09 -0.04 0.97 0.85 1xb7A1 VAL 333 HG23 -0.01 0.03 0.07 -0.04 0.95 1.00 1xb7A1 VAL 334 H 0.03 0.43 -0.09 -0.55 8.24 8.06 1xb7A1 VAL 334 HA 0.06 0.01 0.46 -0.75 4.13 3.91 1xb7A1 VAL 334 HB 0.03 0.05 0.19 -0.04 2.12 2.35 1xb7A1 VAL 334 HG13 0.01 0.01 -0.13 -0.04 0.97 0.83 1xb7A1 VAL 334 HG23 0.03 0.01 0.06 -0.04 0.95 1.00 1xb7A1 THR 335 H 0.06 0.61 -0.21 -0.55 8.28 8.20 1xb7A1 THR 335 HA 0.17 0.03 0.49 -0.75 4.39 4.33 1xb7A1 THR 335 HB 0.12 0.09 0.22 -0.04 4.32 4.70 1xb7A1 THR 335 HG23 0.18 -0.03 -0.03 -0.04 1.22 1.31 1xb7A1 ILE 336 H 0.09 0.57 -0.20 -0.55 8.25 8.16 1xb7A1 ILE 336 HA 0.08 -0.01 0.37 -0.75 4.18 3.86 1xb7A1 ILE 336 HB 0.05 0.16 0.19 -0.04 1.89 2.25 1xb7A1 ILE 336 HG12 0.06 -0.06 0.02 -0.04 1.49 1.46 1xb7A1 ILE 336 HG13 0.05 0.14 0.08 -0.04 1.21 1.43 1xb7A1 ILE 336 HG23 0.07 -0.03 -0.14 -0.04 0.93 0.79 1xb7A1 ILE 336 HD13 -0.00 -0.04 -0.06 -0.04 0.88 0.73 1xb7A1 SER 337 H 0.09 0.42 -0.09 -0.55 8.46 8.33 1xb7A1 SER 337 HA 0.05 0.01 0.50 -0.75 4.49 4.30 1xb7A1 SER 337 HB2 0.06 -0.00 0.05 -0.04 3.95 4.01 1xb7A1 SER 337 HB3 0.05 -0.06 0.08 -0.04 3.93 3.96 1xb7A1 TRP 338 H 0.25 0.40 -0.32 -0.55 7.97 7.76 1xb7A1 TRP 338 HA -0.05 0.08 0.44 -0.75 4.62 4.34 1xb7A1 TRP 338 HB2 -0.04 0.05 0.11 -0.04 3.23 3.31 1xb7A1 TRP 338 HB3 -0.05 0.04 0.25 -0.04 3.23 3.43 1xb7A1 TRP 338 HD1 -0.08 0.25 -0.07 -0.04 7.22 7.28 1xb7A1 TRP 338 HE1 -0.11 0.00 -0.11 -0.04 10.20 9.95 1xb7A1 TRP 338 HE3 -0.11 0.11 0.06 -0.04 7.59 7.61 1xb7A1 TRP 338 HZ2 -0.13 -0.03 -0.20 -0.04 7.44 7.03 1xb7A1 TRP 338 HZ3 -0.11 -0.05 -0.05 -0.04 7.13 6.87 1xb7A1 TRP 338 HH2 -0.10 0.10 -0.21 -0.04 7.19 6.93 1xb7A1 ALA 339 H 0.08 0.70 0.02 -0.55 8.40 8.65 1xb7A1 ALA 339 HA -1.19 -0.02 0.37 -0.75 4.34 2.74 1xb7A1 ALA 339 HB3 -0.77 0.03 0.10 -0.04 1.41 0.73 1xb7A1 LYS 340 H -0.11 0.38 -0.36 -0.55 8.42 7.78 1xb7A1 LYS 340 HA 0.19 -0.07 0.34 -0.75 4.32 4.03 1xb7A1 LYS 340 HB2 0.02 0.16 0.11 -0.04 1.87 2.13 1xb7A1 LYS 340 HB3 0.05 -0.08 0.04 -0.04 1.79 1.76 1xb7A1 LYS 340 HG2 0.15 -0.09 0.01 -0.04 1.46 1.50 1xb7A1 LYS 340 HG3 0.15 0.07 0.04 -0.04 1.46 1.68 1xb7A1 LYS 340 HD2 0.09 -0.06 -0.07 -0.04 1.69 1.60 1xb7A1 LYS 340 HD3 0.06 0.02 -0.04 -0.04 1.68 1.68 1xb7A1 LYS 340 HE2 0.04 0.03 -0.00 -0.04 2.99 3.02 1xb7A1 LYS 340 HE3 0.06 -0.04 -0.01 -0.04 2.99 2.95 1xb7A1 SER 341 H -0.15 0.46 -0.25 -0.55 8.46 7.97 1xb7A1 SER 341 HA 0.01 -0.00 0.67 -0.75 4.49 4.41 1xb7A1 SER 341 HB2 -0.16 0.21 0.11 -0.04 3.95 4.07 1xb7A1 SER 341 HB3 0.02 -0.09 0.11 -0.04 3.93 3.92 1xb7A1 ILE 342 H -0.37 0.52 -0.28 -0.55 8.25 7.56 1xb7A1 ILE 342 HA -0.19 0.11 0.76 -0.75 4.18 4.11 1xb7A1 ILE 342 HB -0.38 0.06 0.18 -0.04 1.89 1.71 1xb7A1 ILE 342 HG12 -1.34 0.13 -0.03 -0.04 1.49 0.20 1xb7A1 ILE 342 HG13 -1.08 -0.09 -0.01 -0.04 1.21 -0.01 1xb7A1 ILE 342 HG23 -0.09 0.01 -0.12 -0.04 0.93 0.69 1xb7A1 ILE 342 HD13 -0.53 0.00 -0.11 -0.04 0.88 0.20 1xb7A1 PRO 343 HA -0.09 -0.06 0.29 -0.51 4.44 4.07 1xb7A1 PRO 343 HB2 -0.94 -0.01 -0.03 -0.04 2.28 1.27 1xb7A1 PRO 343 HB3 -0.47 0.07 -0.17 -0.04 2.02 1.41 1xb7A1 PRO 343 HG2 -0.37 -0.01 0.04 -0.04 2.03 1.65 1xb7A1 PRO 343 HG3 -0.28 0.07 0.05 -0.04 2.03 1.83 1xb7A1 PRO 343 HD2 -0.09 0.04 0.17 -0.04 3.68 3.76 1xb7A1 PRO 343 HD3 0.02 0.43 0.31 -0.04 3.65 4.37 1xb7A1 GLY 344 H 0.05 0.08 0.07 -0.55 8.43 8.09 1xb7A1 GLY 344 HA2 0.13 -0.04 0.35 -0.51 4.01 3.93 1xb7A1 GLY 344 HA3 0.25 0.20 0.60 -0.51 4.01 4.56 1xb7A1 PHE 345 H 0.17 0.65 -0.37 -0.55 8.34 8.24 1xb7A1 PHE 345 HA -0.01 -0.00 0.21 -0.75 4.62 4.06 1xb7A1 PHE 345 HB2 -0.10 0.04 0.05 -0.04 3.15 3.10 1xb7A1 PHE 345 HB3 -0.09 0.20 0.13 -0.04 3.06 3.25 1xb7A1 PHE 345 HD2 -0.05 0.01 -0.20 -0.04 7.28 7.00 1xb7A1 PHE 345 HE2 -0.00 -0.02 -0.06 -0.04 7.38 7.25 1xb7A1 PHE 345 HZ 0.02 0.09 0.03 -0.04 7.32 7.42 1xb7A1 SER 346 H 0.10 0.23 -0.05 -0.55 8.46 8.20 1xb7A1 SER 346 HA -0.14 0.09 0.43 -0.75 4.49 4.12 1xb7A1 SER 346 HB2 0.01 -0.04 0.01 -0.04 3.95 3.89 1xb7A1 SER 346 HB3 -0.00 -0.03 0.09 -0.04 3.93 3.94 1xb7A1 SER 347 H -0.03 0.21 -0.61 -0.55 8.46 7.48 1xb7A1 SER 347 HA -0.04 0.09 0.65 -0.75 4.49 4.43 1xb7A1 SER 347 HB2 -0.01 -0.06 0.09 -0.04 3.95 3.92 1xb7A1 SER 347 HB3 0.00 -0.11 0.03 -0.04 3.93 3.82 1xb7A1 LEU 348 H -0.17 0.46 -0.15 -0.55 8.37 7.96 1xb7A1 LEU 348 HA -0.09 -0.07 0.63 -0.75 4.35 4.07 1xb7A1 LEU 348 HB2 -0.37 0.13 0.00 -0.04 1.64 1.37 1xb7A1 LEU 348 HB3 -0.15 -0.20 0.01 -0.04 1.64 1.26 1xb7A1 LEU 348 HG -0.19 0.22 0.11 -0.04 1.64 1.74 1xb7A1 LEU 348 HD13 -0.16 -0.02 -0.07 -0.04 0.93 0.64 1xb7A1 LEU 348 HD23 -0.04 -0.03 -0.13 -0.04 0.89 0.64 1xb7A1 SER 349 H -0.07 0.01 0.16 -0.55 8.46 8.02 1xb7A1 SER 349 HA -0.06 0.17 0.53 -0.75 4.49 4.38 1xb7A1 SER 349 HB2 -0.03 0.03 0.16 -0.04 3.95 4.07 1xb7A1 SER 349 HB3 -0.04 0.10 0.19 -0.04 3.93 4.15 1xb7A1 LEU 350 H -0.04 0.20 0.19 -0.55 8.37 8.16 1xb7A1 LEU 350 HA -0.08 0.20 0.38 -0.75 4.35 4.09 1xb7A1 LEU 350 HB2 -0.02 -0.05 0.13 -0.04 1.64 1.66 1xb7A1 LEU 350 HB3 -0.01 0.03 -0.02 -0.04 1.64 1.59 1xb7A1 LEU 350 HG -0.03 0.02 0.11 -0.04 1.64 1.70 1xb7A1 LEU 350 HD13 -0.01 0.01 0.03 -0.04 0.93 0.91 1xb7A1 LEU 350 HD23 -0.03 0.03 0.03 -0.04 0.89 0.88 1xb7A1 SER 351 H -0.02 0.06 -0.19 -0.55 8.46 7.77 1xb7A1 SER 351 HA 0.01 0.16 0.40 -0.75 4.49 4.31 1xb7A1 SER 351 HB2 0.02 0.09 0.08 -0.04 3.95 4.10 1xb7A1 SER 351 HB3 -0.00 0.01 0.09 -0.04 3.93 3.99 1xb7A1 ASP 352 H -0.03 0.04 -0.24 -0.55 8.40 7.62 1xb7A1 ASP 352 HA 0.01 0.09 0.71 -0.75 4.63 4.69 1xb7A1 ASP 352 HB2 -0.06 0.08 0.11 -0.04 2.71 2.80 1xb7A1 ASP 352 HB3 -0.04 0.08 0.00 -0.04 2.70 2.70 1xb7A1 GLN 353 H -0.12 0.49 -0.22 -0.55 8.47 8.08 1xb7A1 GLN 353 HA -0.26 0.06 0.45 -0.75 4.36 3.86 1xb7A1 GLN 353 HB2 -0.11 0.08 0.10 -0.04 2.15 2.18 1xb7A1 GLN 353 HB3 -0.13 -0.01 -0.05 -0.04 2.02 1.79 1xb7A1 GLN 353 HG2 -1.21 0.06 -0.05 -0.04 2.40 1.17 1xb7A1 GLN 353 HG3 -0.36 0.11 -0.20 -0.04 2.39 1.90 1xb7A1 GLN 353 HE21 -0.13 -0.04 0.00 -0.04 6.97 6.77 1xb7A1 GLN 353 HE22 -0.21 0.62 -0.19 -0.04 7.69 7.87 1xb7A1 MET 354 H 0.01 0.38 -0.31 -0.55 8.47 8.00 1xb7A1 MET 354 HA 0.08 0.05 0.42 -0.75 4.52 4.31 1xb7A1 MET 354 HB2 0.03 0.08 0.22 -0.04 2.15 2.45 1xb7A1 MET 354 HB3 0.04 -0.02 0.00 -0.04 2.03 2.02 1xb7A1 MET 354 HG2 0.04 -0.02 0.02 -0.04 2.63 2.62 1xb7A1 MET 354 HG3 0.03 0.14 0.05 -0.04 2.56 2.73 1xb7A1 MET 354 HE3 0.03 0.00 -0.02 -0.04 2.10 2.07 1xb7A1 SER 355 H 0.05 0.40 -0.15 -0.55 8.46 8.21 1xb7A1 SER 355 HA 0.03 0.04 0.24 -0.75 4.49 4.05 1xb7A1 SER 355 HB2 0.05 0.00 0.04 -0.04 3.95 4.00 1xb7A1 SER 355 HB3 0.04 -0.13 -0.14 -0.04 3.93 3.66 1xb7A1 VAL 356 H 0.09 0.53 -0.17 -0.55 8.24 8.14 1xb7A1 VAL 356 HA 0.09 -0.02 0.48 -0.75 4.13 3.93 1xb7A1 VAL 356 HB 0.25 0.11 0.16 -0.04 2.12 2.60 1xb7A1 VAL 356 HG13 0.23 0.03 -0.11 -0.04 0.97 1.08 1xb7A1 VAL 356 HG23 0.10 -0.02 0.05 -0.04 0.95 1.04 1xb7A1 LEU 357 H 0.21 0.52 -0.13 -0.55 8.37 8.42 1xb7A1 LEU 357 HA 0.20 -0.00 0.29 -0.75 4.35 4.08 1xb7A1 LEU 357 HB2 0.16 0.14 0.18 -0.04 1.64 2.09 1xb7A1 LEU 357 HB3 0.14 -0.07 -0.01 -0.04 1.64 1.66 1xb7A1 LEU 357 HG 0.31 0.03 0.08 -0.04 1.64 2.02 1xb7A1 LEU 357 HD13 0.22 0.00 -0.02 -0.04 0.93 1.09 1xb7A1 LEU 357 HD23 0.08 -0.02 -0.02 -0.04 0.89 0.89 1xb7A1 GLN 358 H 0.12 0.53 -0.20 -0.55 8.47 8.37 1xb7A1 GLN 358 HA 0.28 0.05 0.54 -0.75 4.36 4.48 1xb7A1 GLN 358 HB2 0.08 -0.02 0.17 -0.04 2.15 2.34 1xb7A1 GLN 358 HB3 0.04 -0.03 0.08 -0.04 2.02 2.08 1xb7A1 GLN 358 HG2 0.05 0.14 0.10 -0.04 2.40 2.65 1xb7A1 GLN 358 HG3 0.02 -0.03 -0.08 -0.04 2.39 2.26 1xb7A1 GLN 358 HE21 0.08 -0.03 -0.07 -0.04 6.97 6.92 1xb7A1 GLN 358 HE22 -0.05 -0.02 -0.05 -0.04 7.69 7.53 1xb7A1 SER 359 H 0.13 0.37 -0.38 -0.55 8.46 8.03 1xb7A1 SER 359 HA 0.06 0.19 1.02 -0.75 4.49 5.01 1xb7A1 SER 359 HB2 -0.01 0.00 0.09 -0.04 3.95 4.00 1xb7A1 SER 359 HB3 -0.01 -0.07 0.06 -0.04 3.93 3.87 1xb7A1 VAL 360 H 0.15 0.37 0.06 -0.55 8.24 8.27 1xb7A1 VAL 360 HA -0.04 0.24 1.09 -0.75 4.13 4.66 1xb7A1 VAL 360 HB 0.03 -0.09 0.03 -0.04 2.12 2.05 1xb7A1 VAL 360 HG13 0.04 0.07 -0.05 -0.04 0.97 0.99 1xb7A1 VAL 360 HG23 0.14 0.04 -0.12 -0.04 0.95 0.96 1xb7A1 TRP 361 H 0.35 0.49 0.06 -0.55 7.97 8.32 1xb7A1 TRP 361 HA 0.01 0.02 0.26 -0.75 4.62 4.15 1xb7A1 TRP 361 HB2 0.01 -0.06 0.06 -0.04 3.23 3.20 1xb7A1 TRP 361 HB3 0.03 0.22 0.19 -0.04 3.23 3.63 1xb7A1 TRP 361 HD1 0.00 0.12 0.06 -0.04 7.22 7.36 1xb7A1 TRP 361 HE1 -0.02 0.30 0.04 -0.04 10.20 10.47 1xb7A1 TRP 361 HE3 -0.02 -0.04 -0.23 -0.04 7.59 7.26 1xb7A1 TRP 361 HZ2 -0.10 0.11 -0.25 -0.04 7.44 7.16 1xb7A1 TRP 361 HZ3 0.10 -0.02 -0.10 -0.04 7.13 7.06 1xb7A1 TRP 361 HH2 -0.04 -0.01 -0.09 -0.04 7.19 7.01 1xb7A1 MET 362 H -1.15 0.20 -0.33 -0.55 8.47 6.64 1xb7A1 MET 362 HA -0.69 0.04 0.45 -0.75 4.52 3.56 1xb7A1 MET 362 HB2 -1.81 0.05 0.01 -0.04 2.15 0.37 1xb7A1 MET 362 HB3 -0.75 0.07 -0.02 -0.04 2.03 1.29 1xb7A1 MET 362 HG2 -0.42 0.11 0.03 -0.04 2.63 2.31 1xb7A1 MET 362 HG3 -0.36 -0.07 -0.06 -0.04 2.56 2.03 1xb7A1 MET 362 HE3 -0.48 0.01 -0.11 -0.04 2.10 1.47 1xb7A1 GLU 363 H -0.27 0.22 -0.24 -0.55 8.60 7.77 1xb7A1 GLU 363 HA -0.15 0.01 0.49 -0.75 4.29 3.89 1xb7A1 GLU 363 HB2 -0.08 0.20 0.10 -0.04 2.09 2.27 1xb7A1 GLU 363 HB3 -0.07 -0.04 -0.09 -0.04 1.99 1.75 1xb7A1 GLU 363 HG2 -0.09 -0.02 -0.12 -0.04 2.34 2.07 1xb7A1 GLU 363 HG3 -0.13 -0.04 0.02 -0.04 2.34 2.15 1xb7A1 VAL 364 H -0.08 0.47 -0.23 -0.55 8.24 7.85 1xb7A1 VAL 364 HA -0.15 0.05 0.53 -0.75 4.13 3.81 1xb7A1 VAL 364 HB -0.05 0.11 0.10 -0.04 2.12 2.23 1xb7A1 VAL 364 HG13 -0.52 -0.01 -0.12 -0.04 0.97 0.28 1xb7A1 VAL 364 HG23 0.05 0.03 -0.06 -0.04 0.95 0.93 1xb7A1 LEU 365 H -0.12 0.51 -0.03 -0.55 8.37 8.18 1xb7A1 LEU 365 HA -0.12 0.06 0.43 -0.75 4.35 3.97 1xb7A1 LEU 365 HB2 -0.29 0.04 0.13 -0.04 1.64 1.48 1xb7A1 LEU 365 HB3 -0.26 -0.04 -0.01 -0.04 1.64 1.29 1xb7A1 LEU 365 HG 0.08 0.24 0.02 -0.04 1.64 1.94 1xb7A1 LEU 365 HD13 0.01 -0.02 -0.04 -0.04 0.93 0.84 1xb7A1 LEU 365 HD23 0.05 -0.02 -0.13 -0.04 0.89 0.75 1xb7A1 VAL 366 H -0.18 0.67 -0.09 -0.55 8.24 8.08 1xb7A1 VAL 366 HA -0.10 -0.02 0.40 -0.75 4.13 3.65 1xb7A1 VAL 366 HB -0.13 0.14 0.16 -0.04 2.12 2.25 1xb7A1 VAL 366 HG13 -0.07 -0.03 -0.14 -0.04 0.97 0.69 1xb7A1 VAL 366 HG23 -0.13 -0.01 0.01 -0.04 0.95 0.78 1xb7A1 LEU 367 H -0.09 0.51 -0.28 -0.55 8.37 7.96 1xb7A1 LEU 367 HA -0.02 -0.00 0.50 -0.75 4.35 4.07 1xb7A1 LEU 367 HB2 -0.04 0.06 0.11 -0.04 1.64 1.73 1xb7A1 LEU 367 HB3 -0.07 0.10 0.12 -0.04 1.64 1.75 1xb7A1 LEU 367 HG 0.24 -0.03 -0.07 -0.04 1.64 1.74 1xb7A1 LEU 367 HD13 0.05 -0.02 0.00 -0.04 0.93 0.92 1xb7A1 LEU 367 HD23 -0.10 -0.00 -0.07 -0.04 0.89 0.68 1xb7A1 GLY 368 H -0.07 0.51 -0.25 -0.55 8.43 8.07 1xb7A1 GLY 368 HA2 0.03 0.00 0.49 -0.51 4.01 4.03 1xb7A1 GLY 368 HA3 -0.06 0.10 0.30 -0.51 4.01 3.84 1xb7A1 VAL 369 H -0.09 0.44 -0.11 -0.55 8.24 7.94 1xb7A1 VAL 369 HA -0.14 0.16 0.37 -0.75 4.13 3.77 1xb7A1 VAL 369 HB -0.16 0.08 0.07 -0.04 2.12 2.08 1xb7A1 VAL 369 HG13 -0.51 -0.02 -0.32 -0.04 0.97 0.08 1xb7A1 VAL 369 HG23 -0.01 0.06 -0.00 -0.04 0.95 0.95 1xb7A1 ALA 370 H -0.10 0.47 -0.29 -0.55 8.40 7.94 1xb7A1 ALA 370 HA -0.11 -0.02 0.32 -0.75 4.34 3.77 1xb7A1 ALA 370 HB3 -0.06 0.02 0.04 -0.04 1.41 1.38 1xb7A1 GLN 371 H -0.15 0.58 -0.06 -0.55 8.47 8.29 1xb7A1 GLN 371 HA -0.23 0.00 0.36 -0.75 4.36 3.74 1xb7A1 GLN 371 HB2 -0.91 -0.01 0.09 -0.04 2.15 1.27 1xb7A1 GLN 371 HB3 -0.69 0.09 0.10 -0.04 2.02 1.47 1xb7A1 GLN 371 HG2 -1.10 -0.01 -0.05 -0.04 2.40 1.20 1xb7A1 GLN 371 HG3 -0.42 0.01 -0.16 -0.04 2.39 1.77 1xb7A1 GLN 371 HE21 -0.11 0.01 -0.25 -0.04 6.97 6.58 1xb7A1 GLN 371 HE22 -0.20 -0.02 -0.07 -0.04 7.69 7.36 1xb7A1 ARG 372 H -0.18 0.49 -0.28 -0.55 8.46 7.93 1xb7A1 ARG 372 HA -0.14 0.01 0.41 -0.75 4.34 3.86 1xb7A1 ARG 372 HB2 -0.13 0.21 0.14 -0.04 1.90 2.08 1xb7A1 ARG 372 HB3 -0.11 -0.12 0.02 -0.04 1.80 1.55 1xb7A1 ARG 372 HG2 -0.12 -0.09 -0.01 -0.04 1.67 1.41 1xb7A1 ARG 372 HG3 -0.14 0.16 0.03 -0.04 1.67 1.68 1xb7A1 ARG 372 HD2 -0.09 -0.12 -0.12 -0.04 3.22 2.84 1xb7A1 ARG 372 HD3 -0.09 -0.07 -0.08 -0.04 3.22 2.95 1xb7A1 SER 373 H -0.14 0.44 -0.31 -0.55 8.46 7.91 1xb7A1 SER 373 HA -0.09 0.01 0.74 -0.75 4.49 4.39 1xb7A1 SER 373 HB2 -0.12 0.11 0.09 -0.04 3.95 3.99 1xb7A1 SER 373 HB3 -0.10 0.14 0.26 -0.04 3.93 4.18 1xb7A1 LEU 374 H -0.11 0.33 -0.29 -0.55 8.37 7.75 1xb7A1 LEU 374 HA -0.06 -0.00 0.34 -0.75 4.35 3.87 1xb7A1 LEU 374 HB2 -0.10 0.14 0.14 -0.04 1.64 1.78 1xb7A1 LEU 374 HB3 -0.06 -0.06 -0.02 -0.04 1.64 1.46 1xb7A1 LEU 374 HG -0.12 0.06 0.07 -0.04 1.64 1.61 1xb7A1 LEU 374 HD13 -0.07 -0.03 -0.04 -0.04 0.93 0.75 1xb7A1 LEU 374 HD23 -0.05 -0.04 -0.08 -0.04 0.89 0.68 1xb7A1 PRO 375 HA -0.04 0.09 0.55 -0.51 4.44 4.54 1xb7A1 PRO 375 HB2 -0.04 -0.03 -0.05 -0.04 2.28 2.13 1xb7A1 PRO 375 HB3 -0.04 -0.02 0.08 -0.04 2.02 2.00 1xb7A1 PRO 375 HG2 -0.06 0.03 0.00 -0.04 2.03 1.97 1xb7A1 PRO 375 HG3 -0.06 0.00 0.03 -0.04 2.03 1.96 1xb7A1 PRO 375 HD2 -0.07 0.15 -0.32 -0.04 3.68 3.39 1xb7A1 PRO 375 HD3 -0.09 0.17 0.05 -0.04 3.65 3.74 1xb7A1 LEU 376 H -0.05 0.28 -0.45 -0.55 8.37 7.60 1xb7A1 LEU 376 HA -0.03 0.07 0.56 -0.75 4.35 4.20 1xb7A1 LEU 376 HB2 -0.04 0.15 -0.02 -0.04 1.64 1.68 1xb7A1 LEU 376 HB3 -0.03 -0.16 0.05 -0.04 1.64 1.47 1xb7A1 LEU 376 HG -0.05 0.10 -0.01 -0.04 1.64 1.63 1xb7A1 LEU 376 HD13 -0.05 -0.02 -0.13 -0.04 0.93 0.69 1xb7A1 LEU 376 HD23 -0.03 -0.01 -0.14 -0.04 0.89 0.67 1xb7A1 GLN 377 H -0.02 0.14 0.08 -0.55 8.47 8.13 1xb7A1 GLN 377 HA -0.02 0.21 0.88 -0.75 4.36 4.68 1xb7A1 GLN 377 HB2 -0.02 0.14 -0.08 -0.04 2.15 2.15 1xb7A1 GLN 377 HB3 -0.01 -0.04 0.07 -0.04 2.02 1.99 1xb7A1 GLN 377 HG2 -0.01 -0.06 -0.23 -0.04 2.40 2.06 1xb7A1 GLN 377 HG3 -0.01 -0.03 -0.03 -0.04 2.39 2.28 1xb7A1 GLN 377 HE21 -0.01 -0.01 -0.01 -0.04 6.97 6.89 1xb7A1 GLN 377 HE22 -0.01 0.08 -0.00 -0.04 7.69 7.71 1xb7A1 ASP 378 H -0.02 0.24 0.11 -0.55 8.40 8.18 1xb7A1 ASP 378 HA -0.01 0.03 0.31 -0.75 4.63 4.20 1xb7A1 ASP 378 HB2 -0.01 0.15 0.18 -0.04 2.71 2.99 1xb7A1 ASP 378 HB3 -0.00 -0.12 0.24 -0.04 2.70 2.77 1xb7A1 GLU 379 H -0.03 0.24 -0.35 -0.55 8.60 7.91 1xb7A1 GLU 379 HA -0.01 0.17 0.71 -0.75 4.29 4.41 1xb7A1 GLU 379 HB2 -0.02 -0.01 -0.18 -0.04 2.09 1.84 1xb7A1 GLU 379 HB3 -0.01 -0.07 -0.23 -0.04 1.99 1.64 1xb7A1 GLU 379 HG2 0.00 -0.04 -0.20 -0.04 2.34 2.06 1xb7A1 GLU 379 HG3 -0.01 0.27 -0.36 -0.04 2.34 2.21 1xb7A1 LEU 380 H -0.02 0.55 0.19 -0.55 8.37 8.54 1xb7A1 LEU 380 HA -0.18 0.21 0.76 -0.75 4.35 4.38 1xb7A1 LEU 380 HB2 -0.11 -0.00 0.15 -0.04 1.64 1.65 1xb7A1 LEU 380 HB3 -0.68 0.04 -0.11 -0.04 1.64 0.85 1xb7A1 LEU 380 HG -0.06 -0.08 -0.33 -0.04 1.64 1.13 1xb7A1 LEU 380 HD13 0.03 0.02 -0.07 -0.04 0.93 0.87 1xb7A1 LEU 380 HD23 -0.15 0.03 -0.25 -0.04 0.89 0.47 1xb7A1 ALA 381 H -0.17 0.29 -0.00 -0.55 8.40 7.97 1xb7A1 ALA 381 HA -0.04 0.06 0.67 -0.75 4.34 4.28 1xb7A1 ALA 381 HB3 -0.09 0.02 -0.09 -0.04 1.41 1.21 1xb7A1 PHE 382 H 0.09 0.42 0.18 -0.55 8.34 8.48 1xb7A1 PHE 382 HA 0.04 0.05 0.50 -0.75 4.62 4.46 1xb7A1 PHE 382 HB2 0.02 0.15 0.13 -0.04 3.15 3.41 1xb7A1 PHE 382 HB3 0.07 -0.06 -0.03 -0.04 3.06 3.00 1xb7A1 PHE 382 HD2 0.14 0.07 -0.00 -0.04 7.28 7.44 1xb7A1 PHE 382 HE2 0.14 -0.03 -0.07 -0.04 7.38 7.38 1xb7A1 PHE 382 HZ 0.09 -0.06 -0.11 -0.04 7.32 7.20 1xb7A1 ALA 383 H 0.09 0.35 -0.10 -0.55 8.40 8.19 1xb7A1 ALA 383 HA -0.03 0.20 0.42 -0.75 4.34 4.18 1xb7A1 ALA 383 HB3 0.01 0.03 -0.08 -0.04 1.41 1.33 1xb7A1 GLU 384 H -0.27 0.48 0.18 -0.55 8.60 8.44 1xb7A1 GLU 384 HA -0.14 0.12 0.43 -0.75 4.29 3.94 1xb7A1 GLU 384 HB2 -0.56 0.04 0.05 -0.04 2.09 1.57 1xb7A1 GLU 384 HB3 -1.02 -0.07 -0.01 -0.04 1.99 0.85 1xb7A1 GLU 384 HG2 -0.18 -0.01 -0.05 -0.04 2.34 2.06 1xb7A1 GLU 384 HG3 -0.07 0.01 -0.02 -0.04 2.34 2.21 1xb7A1 ASP 385 H -0.08 0.01 -0.24 -0.55 8.40 7.54 1xb7A1 ASP 385 HA 0.05 0.25 0.77 -0.75 4.63 4.94 1xb7A1 ASP 385 HB2 0.11 0.07 0.16 -0.04 2.71 3.01 1xb7A1 ASP 385 HB3 0.26 0.03 -0.02 -0.04 2.70 2.92 1xb7A1 LEU 386 H 0.02 0.36 -0.47 -0.55 8.37 7.73 1xb7A1 LEU 386 HA 0.05 0.21 0.66 -0.75 4.35 4.51 1xb7A1 LEU 386 HB2 0.04 0.01 -0.20 -0.04 1.64 1.44 1xb7A1 LEU 386 HB3 0.09 -0.08 0.02 -0.04 1.64 1.62 1xb7A1 LEU 386 HG 0.11 -0.02 -0.13 -0.04 1.64 1.56 1xb7A1 LEU 386 HD13 0.00 0.03 -0.04 -0.04 0.93 0.89 1xb7A1 LEU 386 HD23 -0.08 0.00 -0.13 -0.04 0.89 0.64 1xb7A1 VAL 387 H 0.05 0.19 -0.04 -0.55 8.24 7.89 1xb7A1 VAL 387 HA 0.06 0.22 0.84 -0.75 4.13 4.51 1xb7A1 VAL 387 HB 0.02 -0.02 0.03 -0.04 2.12 2.11 1xb7A1 VAL 387 HG13 0.00 -0.01 -0.24 -0.04 0.97 0.68 1xb7A1 VAL 387 HG23 -0.00 0.01 -0.11 -0.04 0.95 0.81 1xb7A1 LEU 388 H 0.08 0.35 0.15 -0.55 8.37 8.40 1xb7A1 LEU 388 HA 0.06 0.12 0.97 -0.75 4.35 4.75 1xb7A1 LEU 388 HB2 0.31 0.05 0.02 -0.04 1.64 1.98 1xb7A1 LEU 388 HB3 0.14 0.05 -0.17 -0.04 1.64 1.61 1xb7A1 LEU 388 HG 0.12 -0.00 -0.51 -0.04 1.64 1.21 1xb7A1 LEU 388 HD13 0.00 -0.00 -0.18 -0.04 0.93 0.71 1xb7A1 LEU 388 HD23 0.03 -0.01 -0.07 -0.04 0.89 0.80 1xb7A1 ASP 389 H 0.04 0.10 0.16 -0.55 8.40 8.15 1xb7A1 ASP 389 HA 0.02 0.40 0.91 -0.75 4.63 5.20 1xb7A1 ASP 389 HB2 0.01 -0.00 0.28 -0.04 2.71 2.96 1xb7A1 ASP 389 HB3 0.01 0.14 0.17 -0.04 2.70 2.98 1xb7A1 GLU 390 H 0.02 0.31 0.18 -0.55 8.60 8.55 1xb7A1 GLU 390 HA 0.03 0.06 0.34 -0.75 4.29 3.97 1xb7A1 GLU 390 HB2 0.01 0.10 0.11 -0.04 2.09 2.27 1xb7A1 GLU 390 HB3 0.01 0.01 0.07 -0.04 1.99 2.03 1xb7A1 GLU 390 HG2 0.01 0.01 -0.07 -0.04 2.34 2.25 1xb7A1 GLU 390 HG3 0.01 -0.10 -0.09 -0.04 2.34 2.13 1xb7A1 GLU 391 H 0.01 0.13 -0.06 -0.55 8.60 8.13 1xb7A1 GLU 391 HA 0.01 0.11 0.52 -0.75 4.29 4.18 1xb7A1 GLU 391 HB2 0.01 -0.04 0.10 -0.04 2.09 2.12 1xb7A1 GLU 391 HB3 0.01 0.08 -0.04 -0.04 1.99 1.99 1xb7A1 GLU 391 HG2 0.00 0.04 0.04 -0.04 2.34 2.39 1xb7A1 GLU 391 HG3 0.00 -0.04 0.04 -0.04 2.34 2.30 1xb7A1 GLY 392 H 0.02 0.03 -0.20 -0.55 8.43 7.74 1xb7A1 GLY 392 HA2 0.01 0.08 0.40 -0.51 4.01 3.99 1xb7A1 GLY 392 HA3 0.03 0.03 0.30 -0.51 4.01 3.85 1xb7A1 ALA 393 H 0.03 0.27 -0.64 -0.55 8.40 7.52 1xb7A1 ALA 393 HA 0.01 0.12 0.40 -0.75 4.34 4.11 1xb7A1 ALA 393 HB3 0.08 0.02 -0.02 -0.04 1.41 1.45 1xb7A1 ARG 394 H 0.00 0.42 0.01 -0.55 8.46 8.34 1xb7A1 ARG 394 HA -0.02 -0.03 0.64 -0.75 4.34 4.18 1xb7A1 ARG 394 HB2 -0.00 0.13 0.21 -0.04 1.90 2.19 1xb7A1 ARG 394 HB3 -0.01 -0.03 0.06 -0.04 1.80 1.79 1xb7A1 ARG 394 HG2 -0.01 0.06 0.09 -0.04 1.67 1.77 1xb7A1 ARG 394 HG3 0.00 -0.02 0.05 -0.04 1.67 1.66 1xb7A1 ARG 394 HD2 -0.00 0.01 -0.00 -0.04 3.22 3.18 1xb7A1 ARG 394 HD3 -0.01 -0.06 0.01 -0.04 3.22 3.13 1xb7A1 ALA 395 H -0.01 0.37 -0.28 -0.55 8.40 7.94 1xb7A1 ALA 395 HA -0.01 0.05 0.31 -0.75 4.34 3.93 1xb7A1 ALA 395 HB3 -0.01 0.04 0.07 -0.04 1.41 1.47 1xb7A1 ALA 396 H -0.03 0.20 -0.31 -0.55 8.40 7.72 1xb7A1 ALA 396 HA -0.04 0.13 0.65 -0.75 4.34 4.34 1xb7A1 ALA 396 HB3 -0.07 0.05 0.07 -0.04 1.41 1.42 1xb7A1 GLY 397 H -0.03 0.31 -0.61 -0.55 8.43 7.55 1xb7A1 GLY 397 HA2 -0.00 0.04 0.31 -0.51 4.01 3.84 1xb7A1 GLY 397 HA3 -0.01 0.02 0.36 -0.51 4.01 3.87 1xb7A1 LEU 398 H -0.06 0.39 0.10 -0.55 8.37 8.25 1xb7A1 LEU 398 HA -0.46 0.23 0.81 -0.75 4.35 4.18 1xb7A1 LEU 398 HB2 -0.08 0.02 -0.11 -0.04 1.64 1.43 1xb7A1 LEU 398 HB3 -0.14 -0.13 0.06 -0.04 1.64 1.38 1xb7A1 LEU 398 HG -0.08 0.12 -0.15 -0.04 1.64 1.49 1xb7A1 LEU 398 HD13 -0.08 -0.04 -0.07 -0.04 0.93 0.70 1xb7A1 LEU 398 HD23 -0.08 0.02 -0.29 -0.04 0.89 0.50 1xb7A1 GLY 399 H -0.06 0.13 0.01 -0.55 8.43 7.96 1xb7A1 GLY 399 HA2 -0.03 0.07 0.35 -0.51 4.01 3.89 1xb7A1 GLY 399 HA3 -0.05 0.06 0.42 -0.51 4.01 3.93 1xb7A1 GLU 400 H -0.04 0.21 0.19 -0.55 8.60 8.41 1xb7A1 GLU 400 HA -0.01 0.07 0.38 -0.75 4.29 3.98 1xb7A1 GLU 400 HB2 -0.00 0.08 0.05 -0.04 2.09 2.18 1xb7A1 GLU 400 HB3 -0.00 -0.03 0.17 -0.04 1.99 2.09 1xb7A1 GLU 400 HG2 0.00 0.02 0.03 -0.04 2.34 2.35 1xb7A1 GLU 400 HG3 -0.00 -0.06 0.07 -0.04 2.34 2.30 1xb7A1 LEU 401 H -0.09 0.58 -0.54 -0.55 8.37 7.77 1xb7A1 LEU 401 HA 0.01 0.05 0.27 -0.75 4.35 3.93 1xb7A1 LEU 401 HB2 -0.06 0.08 0.04 -0.04 1.64 1.67 1xb7A1 LEU 401 HB3 0.09 -0.03 -0.08 -0.04 1.64 1.58 1xb7A1 LEU 401 HG -0.28 0.15 0.06 -0.04 1.64 1.53 1xb7A1 LEU 401 HD13 0.16 0.01 0.03 -0.04 0.93 1.09 1xb7A1 LEU 401 HD23 0.06 0.02 -0.18 -0.04 0.89 0.75 1xb7A1 GLY 402 H 0.02 0.23 -0.24 -0.55 8.43 7.90 1xb7A1 GLY 402 HA2 0.09 0.10 0.35 -0.51 4.01 4.04 1xb7A1 GLY 402 HA3 0.05 0.05 0.19 -0.51 4.01 3.80 1xb7A1 ALA 403 H 0.01 0.17 -0.31 -0.55 8.40 7.73 1xb7A1 ALA 403 HA 0.00 0.04 0.43 -0.75 4.34 4.06 1xb7A1 ALA 403 HB3 0.00 0.05 0.05 -0.04 1.41 1.47 1xb7A1 ALA 404 H 0.01 0.34 -0.19 -0.55 8.40 8.02 1xb7A1 ALA 404 HA 0.00 0.04 0.43 -0.75 4.34 4.06 1xb7A1 ALA 404 HB3 0.01 0.04 0.11 -0.04 1.41 1.53 1xb7A1 LEU 405 H 0.02 0.62 -0.08 -0.55 8.37 8.39 1xb7A1 LEU 405 HA -0.02 0.03 0.36 -0.75 4.35 3.97 1xb7A1 LEU 405 HB2 0.02 0.07 0.10 -0.04 1.64 1.78 1xb7A1 LEU 405 HB3 -0.07 -0.02 -0.07 -0.04 1.64 1.44 1xb7A1 LEU 405 HG 0.05 -0.01 0.00 -0.04 1.64 1.63 1xb7A1 LEU 405 HD13 0.19 -0.01 -0.15 -0.04 0.93 0.92 1xb7A1 LEU 405 HD23 -0.03 -0.01 -0.03 -0.04 0.89 0.78 1xb7A1 LEU 406 H -0.01 0.45 -0.30 -0.55 8.37 7.96 1xb7A1 LEU 406 HA -0.04 0.06 0.39 -0.75 4.35 4.01 1xb7A1 LEU 406 HB2 -0.01 0.07 0.09 -0.04 1.64 1.75 1xb7A1 LEU 406 HB3 -0.02 -0.06 0.02 -0.04 1.64 1.54 1xb7A1 LEU 406 HG -0.02 0.13 -0.07 -0.04 1.64 1.64 1xb7A1 LEU 406 HD13 -0.00 -0.03 -0.15 -0.04 0.93 0.70 1xb7A1 LEU 406 HD23 -0.04 -0.03 -0.21 -0.04 0.89 0.58 1xb7A1 GLN 407 H -0.01 0.47 -0.20 -0.55 8.47 8.18 1xb7A1 GLN 407 HA -0.01 0.00 0.54 -0.75 4.36 4.13 1xb7A1 GLN 407 HB2 -0.01 0.09 0.18 -0.04 2.15 2.37 1xb7A1 GLN 407 HB3 -0.01 0.14 0.13 -0.04 2.02 2.24 1xb7A1 GLN 407 HG2 -0.01 -0.02 -0.04 -0.04 2.40 2.29 1xb7A1 GLN 407 HG3 -0.01 -0.04 0.06 -0.04 2.39 2.36 1xb7A1 GLN 407 HE21 -0.00 -0.01 -0.01 -0.04 6.97 6.90 1xb7A1 GLN 407 HE22 -0.01 -0.00 -0.01 -0.04 7.69 7.63 1xb7A1 LEU 408 H -0.02 0.39 -0.19 -0.55 8.37 8.00 1xb7A1 LEU 408 HA -0.02 0.02 0.46 -0.75 4.35 4.06 1xb7A1 LEU 408 HB2 -0.03 0.04 0.10 -0.04 1.64 1.71 1xb7A1 LEU 408 HB3 -0.04 0.11 0.04 -0.04 1.64 1.71 1xb7A1 LEU 408 HG -0.03 0.01 -0.15 -0.04 1.64 1.43 1xb7A1 LEU 408 HD13 -0.04 -0.01 -0.09 -0.04 0.93 0.75 1xb7A1 LEU 408 HD23 -0.02 -0.01 -0.05 -0.04 0.89 0.77 1xb7A1 VAL 409 H -0.04 0.48 -0.09 -0.55 8.24 8.04 1xb7A1 VAL 409 HA -0.05 0.02 0.37 -0.75 4.13 3.72 1xb7A1 VAL 409 HB -0.05 0.00 0.18 -0.04 2.12 2.21 1xb7A1 VAL 409 HG13 -0.05 0.01 -0.15 -0.04 0.97 0.73 1xb7A1 VAL 409 HG23 -0.08 0.05 0.00 -0.04 0.95 0.88 1xb7A1 ARG 410 H -0.02 0.62 -0.14 -0.55 8.46 8.37 1xb7A1 ARG 410 HA -0.02 0.04 0.46 -0.75 4.34 4.07 1xb7A1 ARG 410 HB2 -0.01 0.10 0.16 -0.04 1.90 2.11 1xb7A1 ARG 410 HB3 -0.01 -0.05 0.03 -0.04 1.80 1.73 1xb7A1 ARG 410 HG2 -0.02 -0.02 0.06 -0.04 1.67 1.64 1xb7A1 ARG 410 HG3 -0.02 0.17 0.07 -0.04 1.67 1.85 1xb7A1 ARG 410 HD2 -0.01 -0.01 0.01 -0.04 3.22 3.17 1xb7A1 ARG 410 HD3 -0.01 -0.07 0.00 -0.04 3.22 3.10 1xb7A1 ARG 411 H -0.02 0.45 -0.18 -0.55 8.46 8.16 1xb7A1 ARG 411 HA -0.01 -0.00 0.49 -0.75 4.34 4.07 1xb7A1 ARG 411 HB2 -0.01 0.03 0.17 -0.04 1.90 2.04 1xb7A1 ARG 411 HB3 -0.01 0.15 0.20 -0.04 1.80 2.10 1xb7A1 ARG 411 HG2 -0.01 -0.03 0.03 -0.04 1.67 1.62 1xb7A1 ARG 411 HG3 -0.00 -0.00 -0.05 -0.04 1.67 1.57 1xb7A1 ARG 411 HD2 -0.00 -0.03 0.05 -0.04 3.22 3.20 1xb7A1 ARG 411 HD3 -0.01 -0.03 0.03 -0.04 3.22 3.17 1xb7A1 LEU 412 H -0.02 0.49 -0.19 -0.55 8.37 8.10 1xb7A1 LEU 412 HA -0.00 0.05 0.60 -0.75 4.35 4.25 1xb7A1 LEU 412 HB2 -0.02 0.13 0.10 -0.04 1.64 1.81 1xb7A1 LEU 412 HB3 -0.01 -0.08 0.03 -0.04 1.64 1.53 1xb7A1 LEU 412 HG -0.01 0.08 -0.01 -0.04 1.64 1.66 1xb7A1 LEU 412 HD13 -0.01 -0.02 -0.09 -0.04 0.93 0.77 1xb7A1 LEU 412 HD23 0.01 -0.01 -0.03 -0.04 0.89 0.82 1xb7A1 GLN 413 H -0.02 0.53 -0.04 -0.55 8.47 8.39 1xb7A1 GLN 413 HA -0.02 0.01 0.53 -0.75 4.36 4.13 1xb7A1 GLN 413 HB2 -0.02 0.03 0.28 -0.04 2.15 2.40 1xb7A1 GLN 413 HB3 -0.02 -0.05 0.04 -0.04 2.02 1.95 1xb7A1 GLN 413 HG2 -0.03 0.05 0.14 -0.04 2.40 2.52 1xb7A1 GLN 413 HG3 -0.04 -0.03 0.12 -0.04 2.39 2.40 1xb7A1 GLN 413 HE21 -0.03 -0.01 0.11 -0.04 6.97 6.99 1xb7A1 GLN 413 HE22 -0.04 0.81 0.28 -0.04 7.69 8.70 1xb7A1 ALA 414 H -0.01 0.61 -0.06 -0.55 8.40 8.39 1xb7A1 ALA 414 HA -0.00 -0.02 0.39 -0.75 4.34 3.95 1xb7A1 ALA 414 HB3 -0.00 0.03 0.08 -0.04 1.41 1.47 1xb7A1 LEU 415 H -0.00 0.22 -0.63 -0.55 8.37 7.42 1xb7A1 LEU 415 HA 0.01 0.06 0.57 -0.75 4.35 4.24 1xb7A1 LEU 415 HB2 0.01 0.15 0.10 -0.04 1.64 1.86 1xb7A1 LEU 415 HB3 0.02 -0.10 -0.06 -0.04 1.64 1.45 1xb7A1 LEU 415 HG 0.01 0.16 0.00 -0.04 1.64 1.77 1xb7A1 LEU 415 HD13 0.02 0.01 -0.16 -0.04 0.93 0.76 1xb7A1 LEU 415 HD23 0.01 -0.01 -0.09 -0.04 0.89 0.76 1xb7A1 ARG 416 H -0.00 0.46 -0.13 -0.55 8.46 8.23 1xb7A1 ARG 416 HA -0.00 0.04 0.33 -0.75 4.34 3.96 1xb7A1 ARG 416 HB2 0.01 0.11 0.19 -0.04 1.90 2.16 1xb7A1 ARG 416 HB3 0.01 -0.09 0.15 -0.04 1.80 1.82 1xb7A1 ARG 416 HG2 0.00 0.17 -0.22 -0.04 1.67 1.58 1xb7A1 ARG 416 HG3 0.00 -0.05 -0.12 -0.04 1.67 1.46 1xb7A1 ARG 416 HD2 -0.00 -0.04 0.02 -0.04 3.22 3.15 1xb7A1 ARG 416 HD3 -0.00 0.06 0.01 -0.04 3.22 3.24 1xb7A1 LEU 417 H 0.00 0.24 -0.05 -0.55 8.37 8.01 1xb7A1 LEU 417 HA 0.03 -0.04 0.33 -0.75 4.35 3.92 1xb7A1 LEU 417 HB2 0.01 0.08 0.10 -0.04 1.64 1.79 1xb7A1 LEU 417 HB3 -0.00 -0.00 0.05 -0.04 1.64 1.64 1xb7A1 LEU 417 HG 0.07 0.06 -0.04 -0.04 1.64 1.69 1xb7A1 LEU 417 HD13 0.05 -0.00 -0.05 -0.04 0.93 0.88 1xb7A1 LEU 417 HD23 0.08 -0.01 -0.04 -0.04 0.89 0.89 1xb7A1 GLU 418 H 0.05 0.07 0.22 -0.55 8.60 8.40 1xb7A1 GLU 418 HA 0.02 0.25 0.84 -0.75 4.29 4.65 1xb7A1 GLU 418 HB2 0.08 -0.11 0.13 -0.04 2.09 2.15 1xb7A1 GLU 418 HB3 0.06 -0.14 0.18 -0.04 1.99 2.05 1xb7A1 GLU 418 HG2 0.05 0.04 0.10 -0.04 2.34 2.49 1xb7A1 GLU 418 HG3 0.06 0.21 0.10 -0.04 2.34 2.66 1xb7A1 ARG 419 H 0.02 0.20 0.17 -0.55 8.46 8.31 1xb7A1 ARG 419 HA 0.04 0.15 0.30 -0.75 4.34 4.08 1xb7A1 ARG 419 HB2 -0.01 0.09 0.11 -0.04 1.90 2.05 1xb7A1 ARG 419 HB3 0.02 -0.05 0.16 -0.04 1.80 1.89 1xb7A1 ARG 419 HG2 0.03 0.00 -0.07 -0.04 1.67 1.59 1xb7A1 ARG 419 HG3 0.07 -0.01 0.01 -0.04 1.67 1.70 1xb7A1 ARG 419 HD2 -0.04 0.03 0.00 -0.04 3.22 3.17 1xb7A1 ARG 419 HD3 -0.01 -0.01 0.01 -0.04 3.22 3.17 1xb7A1 GLU 420 H 0.00 0.06 -0.06 -0.55 8.60 8.06 1xb7A1 GLU 420 HA -0.09 0.14 0.43 -0.75 4.29 4.00 1xb7A1 GLU 420 HB2 -0.13 -0.03 0.06 -0.04 2.09 1.95 1xb7A1 GLU 420 HB3 -0.65 0.05 -0.02 -0.04 1.99 1.33 1xb7A1 GLU 420 HG2 0.08 0.04 0.01 -0.04 2.34 2.43 1xb7A1 GLU 420 HG3 -0.02 0.05 -0.00 -0.04 2.34 2.32 1xb7A1 GLU 421 H -0.04 0.04 -0.42 -0.55 8.60 7.63 1xb7A1 GLU 421 HA -0.13 0.07 0.34 -0.75 4.29 3.82 1xb7A1 GLU 421 HB2 0.04 0.08 0.15 -0.04 2.09 2.33 1xb7A1 GLU 421 HB3 0.04 0.04 -0.01 -0.04 1.99 2.03 1xb7A1 GLU 421 HG2 0.12 0.04 -0.01 -0.04 2.34 2.45 1xb7A1 GLU 421 HG3 0.11 -0.08 0.02 -0.04 2.34 2.34 1xb7A1 TYR 422 H 0.12 0.63 -0.07 -0.55 8.29 8.42 1xb7A1 TYR 422 HA -0.03 0.00 0.47 -0.75 4.56 4.25 1xb7A1 TYR 422 HB2 -0.04 0.01 0.04 -0.04 3.06 3.03 1xb7A1 TYR 422 HB3 -0.05 0.10 0.12 -0.04 2.98 3.12 1xb7A1 TYR 422 HD2 -0.06 0.03 -0.04 -0.04 7.15 7.04 1xb7A1 TYR 422 HE2 -0.11 0.06 -0.16 -0.04 6.85 6.60 1xb7A1 VAL 423 H -0.00 0.43 -0.23 -0.55 8.24 7.88 1xb7A1 VAL 423 HA -0.41 0.06 0.39 -0.75 4.13 3.42 1xb7A1 VAL 423 HB 0.00 0.01 -0.04 -0.04 2.12 2.06 1xb7A1 VAL 423 HG13 0.06 0.05 -0.06 -0.04 0.97 0.99 1xb7A1 VAL 423 HG23 -0.03 0.01 -0.02 -0.04 0.95 0.87 1xb7A1 LEU 424 H -0.09 0.41 -0.19 -0.55 8.37 7.95 1xb7A1 LEU 424 HA 0.01 0.06 0.53 -0.75 4.35 4.19 1xb7A1 LEU 424 HB2 -0.06 0.10 0.14 -0.04 1.64 1.77 1xb7A1 LEU 424 HB3 0.01 -0.04 -0.00 -0.04 1.64 1.56 1xb7A1 LEU 424 HG -0.11 0.03 0.02 -0.04 1.64 1.54 1xb7A1 LEU 424 HD13 -0.26 -0.02 -0.09 -0.04 0.93 0.53 1xb7A1 LEU 424 HD23 0.03 -0.02 -0.10 -0.04 0.89 0.76 1xb7A1 LEU 425 H -0.06 0.60 -0.11 -0.55 8.37 8.26 1xb7A1 LEU 425 HA 0.00 -0.00 0.41 -0.75 4.35 4.01 1xb7A1 LEU 425 HB2 0.00 0.07 0.08 -0.04 1.64 1.76 1xb7A1 LEU 425 HB3 -0.04 0.07 0.14 -0.04 1.64 1.77 1xb7A1 LEU 425 HG -0.01 -0.03 -0.15 -0.04 1.64 1.41 1xb7A1 LEU 425 HD13 0.01 -0.01 -0.09 -0.04 0.93 0.80 1xb7A1 LEU 425 HD23 0.03 0.00 -0.06 -0.04 0.89 0.82 1xb7A1 LYS 426 H -0.22 0.73 -0.08 -0.55 8.42 8.29 1xb7A1 LYS 426 HA -0.10 -0.02 0.35 -0.75 4.32 3.80 1xb7A1 LYS 426 HB2 -0.63 0.05 0.08 -0.04 1.87 1.32 1xb7A1 LYS 426 HB3 -0.28 0.10 0.11 -0.04 1.79 1.68 1xb7A1 LYS 426 HG2 -0.49 0.02 -0.17 -0.04 1.46 0.78 1xb7A1 LYS 426 HG3 -0.35 -0.08 0.01 -0.04 1.46 0.99 1xb7A1 LYS 426 HD2 -0.50 0.01 -0.03 -0.04 1.69 1.13 1xb7A1 LYS 426 HD3 -0.77 0.01 -0.08 -0.04 1.68 0.80 1xb7A1 LYS 426 HE2 -0.43 0.01 -0.05 -0.04 2.99 2.48 1xb7A1 LYS 426 HE3 -0.79 0.03 -0.06 -0.04 2.99 2.14 1xb7A1 ALA 427 H 0.10 0.52 -0.23 -0.55 8.40 8.25 1xb7A1 ALA 427 HA 0.24 0.01 0.48 -0.75 4.34 4.32 1xb7A1 ALA 427 HB3 0.08 0.04 0.09 -0.04 1.41 1.58 1xb7A1 LEU 428 H 0.05 0.52 -0.28 -0.55 8.37 8.11 1xb7A1 LEU 428 HA 0.05 -0.01 0.47 -0.75 4.35 4.10 1xb7A1 LEU 428 HB2 0.05 0.10 0.05 -0.04 1.64 1.80 1xb7A1 LEU 428 HB3 0.03 0.11 0.14 -0.04 1.64 1.87 1xb7A1 LEU 428 HG -0.00 -0.01 -0.14 -0.04 1.64 1.44 1xb7A1 LEU 428 HD13 0.03 -0.04 -0.01 -0.04 0.93 0.86 1xb7A1 LEU 428 HD23 0.05 -0.01 -0.09 -0.04 0.89 0.80 1xb7A1 ALA 429 H 0.03 0.71 -0.06 -0.55 8.40 8.54 1xb7A1 ALA 429 HA 0.01 0.01 0.43 -0.75 4.34 4.04 1xb7A1 ALA 429 HB3 0.00 0.02 -0.00 -0.04 1.41 1.39 1xb7A1 LEU 430 H 0.13 0.50 -0.24 -0.55 8.37 8.22 1xb7A1 LEU 430 HA 0.11 -0.03 0.43 -0.75 4.35 4.10 1xb7A1 LEU 430 HB2 0.30 0.00 0.08 -0.04 1.64 1.98 1xb7A1 LEU 430 HB3 0.08 0.28 0.14 -0.04 1.64 2.09 1xb7A1 LEU 430 HG 0.05 -0.04 -0.32 -0.04 1.64 1.29 1xb7A1 LEU 430 HD13 0.06 -0.02 -0.04 -0.04 0.93 0.88 1xb7A1 LEU 430 HD23 -0.57 0.00 -0.01 -0.04 0.89 0.27 1xb7A1 ALA 431 H 0.06 0.43 -0.32 -0.55 8.40 8.02 1xb7A1 ALA 431 HA 0.08 -0.01 0.38 -0.75 4.34 4.04 1xb7A1 ALA 431 HB3 0.05 0.00 0.04 -0.04 1.41 1.46 1xb7A1 ASN 432 H 0.03 0.40 -0.53 -0.55 8.53 7.89 1xb7A1 ASN 432 HA 0.01 0.06 0.68 -0.75 4.76 4.76 1xb7A1 ASN 432 HB2 -0.00 0.13 0.03 -0.04 2.88 3.00 1xb7A1 ASN 432 HB3 -0.00 0.06 0.09 -0.04 2.79 2.89 1xb7A1 ASN 432 HD21 -0.03 -0.05 -0.01 -0.04 7.03 6.90 1xb7A1 ASN 432 HD22 -0.02 0.02 -0.00 -0.04 7.74 7.70 1xb7A1 SER 433 H 0.04 0.17 -0.51 -0.55 8.46 7.61 1xb7A1 SER 433 HA 0.02 0.13 0.04 -0.75 4.49 3.92 1xb7A1 SER 433 HB2 0.07 0.24 0.12 -0.04 3.95 4.34 1xb7A1 SER 433 HB3 0.05 -0.11 0.08 -0.04 3.93 3.91 1xb7A1 ASP 434 H 0.01 0.05 -0.09 -0.55 8.40 7.83 1xb7A1 ASP 434 HA 0.01 -0.03 0.27 -0.75 4.63 4.12 1xb7A1 ASP 434 HB2 -0.00 0.35 0.09 -0.04 2.71 3.11 1xb7A1 ASP 434 HB3 -0.00 -0.09 0.22 -0.04 2.70 2.79 1xb7A1 SER 435 H 0.02 -0.00 -0.30 -0.55 8.46 7.62 1xb7A1 SER 435 HA -0.03 0.15 0.62 -0.75 4.49 4.48 1xb7A1 SER 435 HB2 -0.00 0.21 -0.07 -0.04 3.95 4.05 1xb7A1 SER 435 HB3 0.02 -0.12 -0.10 -0.04 3.93 3.69 1xb7A1 VAL 436 H 0.00 0.21 0.19 -0.55 8.24 8.09 1xb7A1 VAL 436 HA 0.07 0.12 0.51 -0.75 4.13 4.08 1xb7A1 VAL 436 HB 0.30 -0.01 0.03 -0.04 2.12 2.41 1xb7A1 VAL 436 HG13 0.08 0.00 0.05 -0.04 0.97 1.06 1xb7A1 VAL 436 HG23 0.04 0.02 0.11 -0.04 0.95 1.08 1xb7A1 HIS 437 H 0.13 0.04 -0.29 -0.55 8.41 7.75 1xb7A1 HIS 437 HA 0.01 0.19 0.44 -0.75 4.63 4.52 1xb7A1 HIS 437 HB2 0.02 -0.03 -0.03 -0.04 3.26 3.19 1xb7A1 HIS 437 HB3 0.01 -0.01 0.10 -0.04 3.20 3.26 1xb7A1 HIS 437 HD2 0.02 -0.01 -0.02 -0.04 6.97 6.92 1xb7A1 HIS 437 HE1 0.01 0.04 -0.03 -0.04 7.75 7.74 1xb7A1 ILE 438 H 0.08 0.36 -0.55 -0.55 8.25 7.58 1xb7A1 ILE 438 HA 0.05 -0.02 0.47 -0.75 4.18 3.92 1xb7A1 ILE 438 HB 0.03 0.21 -0.01 -0.04 1.89 2.08 1xb7A1 ILE 438 HG12 0.03 -0.02 -0.03 -0.04 1.49 1.43 1xb7A1 ILE 438 HG13 0.04 -0.07 -0.17 -0.04 1.21 0.97 1xb7A1 ILE 438 HG23 0.02 -0.05 -0.34 -0.04 0.93 0.52 1xb7A1 ILE 438 HD13 0.03 0.06 -0.03 -0.04 0.88 0.90 1xb7A1 GLU 439 H 0.02 -0.03 0.13 -0.55 8.60 8.17 1xb7A1 GLU 439 HA 0.01 0.25 0.55 -0.75 4.29 4.34 1xb7A1 GLU 439 HB2 -0.00 -0.18 0.16 -0.04 2.09 2.03 1xb7A1 GLU 439 HB3 -0.00 0.04 0.00 -0.04 1.99 1.99 1xb7A1 GLU 439 HG2 0.02 0.08 0.00 -0.04 2.34 2.40 1xb7A1 GLU 439 HG3 0.00 -0.05 0.01 -0.04 2.34 2.25 1xb7A1 ASP 440 H -0.00 0.06 0.10 -0.55 8.40 8.00 1xb7A1 ASP 440 HA -0.00 0.22 0.89 -0.75 4.63 4.98 1xb7A1 ASP 440 HB2 -0.01 0.06 0.14 -0.04 2.71 2.85 1xb7A1 ASP 440 HB3 -0.02 -0.02 0.28 -0.04 2.70 2.90 1xb7A1 ALA 441 H 0.00 0.46 -0.16 -0.55 8.40 8.15 1xb7A1 ALA 441 HA 0.00 0.07 0.36 -0.75 4.34 4.03 1xb7A1 ALA 441 HB3 0.00 0.06 0.02 -0.04 1.41 1.45 1xb7A1 GLU 442 H -0.00 0.12 -0.15 -0.55 8.60 8.02 1xb7A1 GLU 442 HA -0.01 0.12 0.42 -0.75 4.29 4.06 1xb7A1 GLU 442 HB2 -0.01 0.01 0.10 -0.04 2.09 2.16 1xb7A1 GLU 442 HB3 -0.01 -0.00 -0.00 -0.04 1.99 1.94 1xb7A1 GLU 442 HG2 -0.01 0.01 -0.02 -0.04 2.34 2.28 1xb7A1 GLU 442 HG3 -0.01 0.03 0.03 -0.04 2.34 2.36 1xb7A1 ALA 443 H -0.01 0.10 -0.27 -0.55 8.40 7.67 1xb7A1 ALA 443 HA -0.02 0.10 0.51 -0.75 4.34 4.19 1xb7A1 ALA 443 HB3 -0.02 0.03 0.10 -0.04 1.41 1.48 1xb7A1 VAL 444 H -0.01 0.35 -0.05 -0.55 8.24 7.98 1xb7A1 VAL 444 HA 0.01 0.08 0.56 -0.75 4.13 4.03 1xb7A1 VAL 444 HB 0.01 0.06 0.15 -0.04 2.12 2.29 1xb7A1 VAL 444 HG13 0.03 0.01 -0.05 -0.04 0.97 0.91 1xb7A1 VAL 444 HG23 0.01 -0.00 0.03 -0.04 0.95 0.94 1xb7A1 GLU 445 H -0.00 0.53 -0.12 -0.55 8.60 8.47 1xb7A1 GLU 445 HA -0.01 0.07 0.45 -0.75 4.29 4.05 1xb7A1 GLU 445 HB2 -0.00 0.05 0.10 -0.04 2.09 2.20 1xb7A1 GLU 445 HB3 -0.01 0.05 0.12 -0.04 1.99 2.11 1xb7A1 GLU 445 HG2 -0.01 -0.02 -0.09 -0.04 2.34 2.18 1xb7A1 GLU 445 HG3 -0.01 0.01 0.04 -0.04 2.34 2.34 1xb7A1 GLN 446 H -0.02 0.40 -0.25 -0.55 8.47 8.05 1xb7A1 GLN 446 HA -0.04 0.00 0.43 -0.75 4.36 3.99 1xb7A1 GLN 446 HB2 -0.03 -0.00 0.12 -0.04 2.15 2.20 1xb7A1 GLN 446 HB3 -0.03 0.09 0.23 -0.04 2.02 2.26 1xb7A1 GLN 446 HG2 -0.06 0.02 -0.18 -0.04 2.40 2.15 1xb7A1 GLN 446 HG3 -0.05 -0.03 0.02 -0.04 2.39 2.28 1xb7A1 GLN 446 HE21 -0.01 -0.02 -0.02 -0.04 6.97 6.88 1xb7A1 GLN 446 HE22 -0.03 0.01 -0.02 -0.04 7.69 7.61 1xb7A1 LEU 447 H -0.02 0.45 -0.14 -0.55 8.37 8.11 1xb7A1 LEU 447 HA -0.12 0.01 0.51 -0.75 4.35 4.00 1xb7A1 LEU 447 HB2 0.02 -0.02 0.07 -0.04 1.64 1.67 1xb7A1 LEU 447 HB3 0.02 0.10 0.19 -0.04 1.64 1.91 1xb7A1 LEU 447 HG 0.06 0.02 -0.29 -0.04 1.64 1.38 1xb7A1 LEU 447 HD13 0.14 -0.04 0.00 -0.04 0.93 0.99 1xb7A1 LEU 447 HD23 0.13 0.00 -0.09 -0.04 0.89 0.89 1xb7A1 ARG 448 H -0.01 0.61 -0.06 -0.55 8.46 8.45 1xb7A1 ARG 448 HA 0.01 0.01 0.43 -0.75 4.34 4.03 1xb7A1 ARG 448 HB2 0.00 0.24 0.17 -0.04 1.90 2.28 1xb7A1 ARG 448 HB3 -0.01 0.09 0.20 -0.04 1.80 2.04 1xb7A1 ARG 448 HG2 -0.02 -0.10 -0.12 -0.04 1.67 1.38 1xb7A1 ARG 448 HG3 -0.01 0.04 -0.14 -0.04 1.67 1.52 1xb7A1 ARG 448 HD2 -0.02 -0.03 -0.01 -0.04 3.22 3.11 1xb7A1 ARG 448 HD3 -0.04 -0.04 -0.05 -0.04 3.22 3.05 1xb7A1 GLU 449 H -0.03 0.52 -0.25 -0.55 8.60 8.29 1xb7A1 GLU 449 HA 0.06 -0.02 0.34 -0.75 4.29 3.92 1xb7A1 GLU 449 HB2 -0.05 0.16 0.18 -0.04 2.09 2.33 1xb7A1 GLU 449 HB3 -0.02 -0.07 -0.00 -0.04 1.99 1.86 1xb7A1 GLU 449 HG2 0.03 -0.07 0.02 -0.04 2.34 2.28 1xb7A1 GLU 449 HG3 -0.01 0.30 0.09 -0.04 2.34 2.68 1xb7A1 ALA 450 H -0.19 0.50 -0.10 -0.55 8.40 8.06 1xb7A1 ALA 450 HA -0.23 0.01 0.53 -0.75 4.34 3.90 1xb7A1 ALA 450 HB3 -1.00 0.03 0.11 -0.04 1.41 0.51 1xb7A1 LEU 451 H -0.09 0.53 -0.20 -0.55 8.37 8.07 1xb7A1 LEU 451 HA 0.14 0.03 0.46 -0.75 4.35 4.23 1xb7A1 LEU 451 HB2 0.05 0.11 0.11 -0.04 1.64 1.87 1xb7A1 LEU 451 HB3 0.09 -0.04 -0.03 -0.04 1.64 1.62 1xb7A1 LEU 451 HG 0.12 -0.01 -0.03 -0.04 1.64 1.68 1xb7A1 LEU 451 HD13 0.10 0.03 -0.15 -0.04 0.93 0.87 1xb7A1 LEU 451 HD23 0.25 -0.01 -0.04 -0.04 0.89 1.04 1xb7A1 HIS 452 H 0.11 0.59 -0.08 -0.55 8.41 8.49 1xb7A1 HIS 452 HA 0.02 0.01 0.46 -0.75 4.63 4.36 1xb7A1 HIS 452 HB2 -0.00 0.08 0.09 -0.04 3.26 3.39 1xb7A1 HIS 452 HB3 -0.02 0.11 0.16 -0.04 3.20 3.41 1xb7A1 HIS 452 HD2 0.02 -0.03 0.02 -0.04 6.97 6.93 1xb7A1 HIS 452 HE1 0.00 -0.01 -0.06 -0.04 7.75 7.64 1xb7A1 GLU 453 H -0.01 0.69 -0.11 -0.55 8.60 8.62 1xb7A1 GLU 453 HA -0.17 -0.05 0.46 -0.75 4.29 3.78 1xb7A1 GLU 453 HB2 -0.07 0.02 0.15 -0.04 2.09 2.15 1xb7A1 GLU 453 HB3 -0.06 0.15 0.22 -0.04 1.99 2.25 1xb7A1 GLU 453 HG2 -0.03 0.03 0.01 -0.04 2.34 2.32 1xb7A1 GLU 453 HG3 -0.01 -0.04 -0.13 -0.04 2.34 2.12 1xb7A1 ALA 454 H 0.04 0.51 -0.32 -0.55 8.40 8.09 1xb7A1 ALA 454 HA 0.09 -0.03 0.39 -0.75 4.34 4.04 1xb7A1 ALA 454 HB3 0.15 0.05 0.12 -0.04 1.41 1.70 1xb7A1 LEU 455 H 0.08 0.58 -0.11 -0.55 8.37 8.37 1xb7A1 LEU 455 HA 0.12 -0.02 0.44 -0.75 4.35 4.14 1xb7A1 LEU 455 HB2 0.09 0.06 0.09 -0.04 1.64 1.84 1xb7A1 LEU 455 HB3 0.12 0.15 0.16 -0.04 1.64 2.02 1xb7A1 LEU 455 HG 0.11 -0.08 -0.20 -0.04 1.64 1.42 1xb7A1 LEU 455 HD13 0.08 -0.01 0.02 -0.04 0.93 0.97 1xb7A1 LEU 455 HD23 0.11 0.01 -0.03 -0.04 0.89 0.93 1xb7A1 LEU 456 H -0.03 0.60 -0.14 -0.55 8.37 8.26 1xb7A1 LEU 456 HA 0.01 -0.07 0.44 -0.75 4.35 3.98 1xb7A1 LEU 456 HB2 -0.10 0.13 0.18 -0.04 1.64 1.80 1xb7A1 LEU 456 HB3 -0.06 -0.04 -0.01 -0.04 1.64 1.48 1xb7A1 LEU 456 HG -0.33 0.24 0.03 -0.04 1.64 1.54 1xb7A1 LEU 456 HD13 -0.33 -0.01 -0.05 -0.04 0.93 0.49 1xb7A1 LEU 456 HD23 -0.01 -0.03 -0.04 -0.04 0.89 0.76 1xb7A1 GLU 457 H 0.01 0.76 0.02 -0.55 8.60 8.85 1xb7A1 GLU 457 HA 0.00 -0.01 0.43 -0.75 4.29 3.96 1xb7A1 GLU 457 HB2 0.05 0.16 0.20 -0.04 2.09 2.47 1xb7A1 GLU 457 HB3 0.05 -0.14 0.03 -0.04 1.99 1.89 1xb7A1 GLU 457 HG2 0.01 -0.06 0.05 -0.04 2.34 2.30 1xb7A1 GLU 457 HG3 0.00 -0.02 0.06 -0.04 2.34 2.34 1xb7A1 TYR 458 H 0.17 0.74 -0.16 -0.55 8.29 8.49 1xb7A1 TYR 458 HA 0.02 -0.08 0.38 -0.75 4.56 4.12 1xb7A1 TYR 458 HB2 0.03 -0.04 0.06 -0.04 3.06 3.07 1xb7A1 TYR 458 HB3 0.03 0.13 0.16 -0.04 2.98 3.25 1xb7A1 TYR 458 HD2 0.03 0.00 -0.13 -0.04 7.15 7.01 1xb7A1 TYR 458 HE2 0.03 -0.03 -0.05 -0.04 6.85 6.76 1xb7A1 GLU 459 H 0.11 0.55 -0.12 -0.55 8.60 8.59 1xb7A1 GLU 459 HA -0.11 0.03 0.34 -0.75 4.29 3.80 1xb7A1 GLU 459 HB2 0.04 0.05 0.11 -0.04 2.09 2.26 1xb7A1 GLU 459 HB3 0.03 -0.09 -0.06 -0.04 1.99 1.82 1xb7A1 GLU 459 HG2 0.20 0.21 0.03 -0.04 2.34 2.73 1xb7A1 GLU 459 HG3 0.10 -0.22 -0.06 -0.04 2.34 2.11 1xb7A1 ALA 460 H -0.04 0.45 -0.26 -0.55 8.40 8.00 1xb7A1 ALA 460 HA -0.04 0.04 0.54 -0.75 4.34 4.12 1xb7A1 ALA 460 HB3 -0.03 -0.02 0.08 -0.04 1.41 1.40 1xb7A1 GLY 461 H -0.15 0.37 -0.32 -0.55 8.43 7.78 1xb7A1 GLY 461 HA2 -0.07 0.08 0.57 -0.51 4.01 4.08 1xb7A1 GLY 461 HA3 -0.13 -0.01 0.21 -0.51 4.01 3.57 1xb7A1 ARG 471 HA 0.01 -0.08 0.22 -0.75 4.34 3.73 1xb7A1 ARG 471 HB2 -0.00 0.02 0.13 -0.04 1.90 2.01 1xb7A1 ARG 471 HB3 0.00 -0.01 0.20 -0.04 1.80 1.95 1xb7A1 ARG 471 HG2 -0.01 -0.03 -0.02 -0.04 1.67 1.58 1xb7A1 ARG 471 HG3 -0.01 0.08 0.15 -0.04 1.67 1.85 1xb7A1 ARG 471 HD2 -0.01 0.05 0.07 -0.04 3.22 3.28 1xb7A1 ARG 471 HD3 -0.01 -0.03 0.06 -0.04 3.22 3.20 1xb7A1 ARG 472 H 0.02 -0.29 0.30 -0.55 8.46 7.94 1xb7A1 ARG 472 HA 0.02 0.05 0.30 -0.75 4.34 3.96 1xb7A1 ARG 472 HB2 0.01 0.14 0.08 -0.04 1.90 2.09 1xb7A1 ARG 472 HB3 0.01 0.06 -0.02 -0.04 1.80 1.81 1xb7A1 ARG 472 HG2 0.02 -0.07 0.09 -0.04 1.67 1.67 1xb7A1 ARG 472 HG3 0.01 -0.01 0.12 -0.04 1.67 1.75 1xb7A1 ARG 472 HD2 0.01 0.01 -0.01 -0.04 3.22 3.19 1xb7A1 ARG 472 HD3 0.01 -0.01 0.02 -0.04 3.22 3.20 1xb7A1 ARG 473 H 0.02 -0.01 0.26 -0.55 8.46 8.18 1xb7A1 ARG 473 HA 0.03 0.15 0.38 -0.75 4.34 4.14 1xb7A1 ARG 473 HB2 0.03 0.11 0.19 -0.04 1.90 2.19 1xb7A1 ARG 473 HB3 0.04 0.00 0.19 -0.04 1.80 1.99 1xb7A1 ARG 473 HG2 0.06 0.08 0.04 -0.04 1.67 1.82 1xb7A1 ARG 473 HG3 0.07 -0.05 -0.18 -0.04 1.67 1.46 1xb7A1 ARG 473 HD2 0.04 -0.06 0.09 -0.04 3.22 3.25 1xb7A1 ARG 473 HD3 0.03 0.05 0.06 -0.04 3.22 3.32 1xb7A1 ALA 474 H 0.05 0.10 -0.07 -0.55 8.40 7.93 1xb7A1 ALA 474 HA 0.07 0.12 0.40 -0.75 4.34 4.18 1xb7A1 ALA 474 HB3 0.08 0.03 -0.02 -0.04 1.41 1.47 1xb7A1 GLY 475 H 0.05 0.11 -0.34 -0.55 8.43 7.70 1xb7A1 GLY 475 HA2 0.04 0.04 0.29 -0.51 4.01 3.86 1xb7A1 GLY 475 HA3 0.03 0.09 0.23 -0.51 4.01 3.86 1xb7A1 ARG 476 H 0.03 0.32 -0.24 -0.55 8.46 8.02 1xb7A1 ARG 476 HA 0.02 0.03 0.43 -0.75 4.34 4.07 1xb7A1 ARG 476 HB2 0.03 0.12 0.17 -0.04 1.90 2.17 1xb7A1 ARG 476 HB3 0.02 0.03 -0.05 -0.04 1.80 1.76 1xb7A1 ARG 476 HG2 0.01 -0.01 0.02 -0.04 1.67 1.65 1xb7A1 ARG 476 HG3 0.02 -0.01 0.04 -0.04 1.67 1.68 1xb7A1 ARG 476 HD2 0.02 -0.05 -0.10 -0.04 3.22 3.05 1xb7A1 ARG 476 HD3 0.01 0.04 -0.02 -0.04 3.22 3.22 1xb7A1 LEU 477 H 0.04 0.41 -0.17 -0.55 8.37 8.10 1xb7A1 LEU 477 HA 0.02 0.04 0.54 -0.75 4.35 4.21 1xb7A1 LEU 477 HB2 0.05 0.20 0.18 -0.04 1.64 2.02 1xb7A1 LEU 477 HB3 0.03 -0.06 0.01 -0.04 1.64 1.58 1xb7A1 LEU 477 HG 0.05 0.29 0.13 -0.04 1.64 2.06 1xb7A1 LEU 477 HD13 0.06 -0.03 -0.02 -0.04 0.93 0.91 1xb7A1 LEU 477 HD23 0.04 -0.02 -0.03 -0.04 0.89 0.84 1xb7A1 LEU 478 H 0.03 0.43 -0.08 -0.55 8.37 8.21 1xb7A1 LEU 478 HA -0.00 0.01 0.33 -0.75 4.35 3.93 1xb7A1 LEU 478 HB2 0.00 0.08 0.12 -0.04 1.64 1.80 1xb7A1 LEU 478 HB3 -0.03 -0.04 0.05 -0.04 1.64 1.58 1xb7A1 LEU 478 HG 0.04 0.20 -0.04 -0.04 1.64 1.80 1xb7A1 LEU 478 HD13 -0.05 -0.02 -0.06 -0.04 0.93 0.75 1xb7A1 LEU 478 HD23 0.00 -0.01 -0.06 -0.04 0.89 0.78 1xb7A1 LEU 479 H 0.01 0.52 -0.28 -0.55 8.37 8.07 1xb7A1 LEU 479 HA -0.00 -0.00 0.39 -0.75 4.35 3.98 1xb7A1 LEU 479 HB2 0.01 0.17 0.12 -0.04 1.64 1.89 1xb7A1 LEU 479 HB3 0.00 -0.07 0.13 -0.04 1.64 1.66 1xb7A1 LEU 479 HG 0.00 0.07 0.03 -0.04 1.64 1.70 1xb7A1 LEU 479 HD13 0.01 -0.03 -0.07 -0.04 0.93 0.80 1xb7A1 LEU 479 HD23 -0.00 -0.02 0.01 -0.04 0.89 0.84 1xb7A1 THR 480 H 0.00 0.51 -0.44 -0.55 8.28 7.80 1xb7A1 THR 480 HA -0.01 0.10 0.91 -0.75 4.39 4.63 1xb7A1 THR 480 HB -0.00 -0.11 0.10 -0.04 4.32 4.27 1xb7A1 THR 480 HG23 0.00 0.05 -0.02 -0.04 1.22 1.21 1xb7A1 LEU 481 H -0.01 0.57 -0.08 -0.55 8.37 8.30 1xb7A1 LEU 481 HA -0.02 0.00 0.52 -0.75 4.35 4.10 1xb7A1 LEU 481 HB2 -0.02 0.21 0.18 -0.04 1.64 1.97 1xb7A1 LEU 481 HB3 -0.02 -0.04 0.01 -0.04 1.64 1.54 1xb7A1 LEU 481 HG -0.01 0.07 0.08 -0.04 1.64 1.74 1xb7A1 LEU 481 HD13 -0.02 -0.01 -0.01 -0.04 0.93 0.85 1xb7A1 LEU 481 HD23 -0.01 -0.02 -0.05 -0.04 0.89 0.77 1xb7A1 PRO 482 HA -0.02 0.07 0.51 -0.51 4.44 4.49 1xb7A1 PRO 482 HB2 -0.01 0.02 0.02 -0.04 2.28 2.27 1xb7A1 PRO 482 HB3 -0.01 0.02 0.06 -0.04 2.02 2.05 1xb7A1 PRO 482 HG2 -0.01 0.09 0.05 -0.04 2.03 2.12 1xb7A1 PRO 482 HG3 -0.01 0.03 0.04 -0.04 2.03 2.05 1xb7A1 PRO 482 HD2 -0.01 0.18 -0.30 -0.04 3.68 3.51 1xb7A1 PRO 482 HD3 -0.01 0.23 0.12 -0.04 3.65 3.94 1xb7A1 LEU 483 H -0.01 0.26 -0.28 -0.55 8.37 7.79 1xb7A1 LEU 483 HA -0.02 0.00 0.46 -0.75 4.35 4.04 1xb7A1 LEU 483 HB2 -0.01 0.01 0.07 -0.04 1.64 1.68 1xb7A1 LEU 483 HB3 -0.01 0.17 0.07 -0.04 1.64 1.83 1xb7A1 LEU 483 HG -0.02 -0.03 -0.18 -0.04 1.64 1.38 1xb7A1 LEU 483 HD13 -0.01 -0.03 0.02 -0.04 0.93 0.88 1xb7A1 LEU 483 HD23 -0.01 0.01 -0.13 -0.04 0.89 0.71 1xb7A1 LEU 484 H -0.02 0.50 -0.14 -0.55 8.37 8.16 1xb7A1 LEU 484 HA -0.04 -0.01 0.50 -0.75 4.35 4.05 1xb7A1 LEU 484 HB2 -0.02 0.03 0.08 -0.04 1.64 1.69 1xb7A1 LEU 484 HB3 -0.03 0.10 0.20 -0.04 1.64 1.87 1xb7A1 LEU 484 HG -0.05 -0.03 -0.22 -0.04 1.64 1.30 1xb7A1 LEU 484 HD13 -0.06 0.03 0.03 -0.04 0.93 0.89 1xb7A1 LEU 484 HD23 -0.03 0.01 -0.05 -0.04 0.89 0.78 1xb7A1 ARG 485 H -0.03 0.61 -0.16 -0.55 8.46 8.33 1xb7A1 ARG 485 HA -0.06 -0.00 0.39 -0.75 4.34 3.91 1xb7A1 ARG 485 HB2 -0.04 0.01 0.07 -0.04 1.90 1.90 1xb7A1 ARG 485 HB3 -0.03 0.12 0.17 -0.04 1.80 2.02 1xb7A1 ARG 485 HG2 -0.03 -0.01 -0.05 -0.04 1.67 1.54 1xb7A1 ARG 485 HG3 -0.04 -0.08 -0.13 -0.04 1.67 1.37 1xb7A1 ARG 485 HD2 -0.03 -0.01 -0.01 -0.04 3.22 3.13 1xb7A1 ARG 485 HD3 -0.05 -0.01 0.03 -0.04 3.22 3.15 1xb7A1 GLN 486 H -0.03 0.48 -0.11 -0.55 8.47 8.26 1xb7A1 GLN 486 HA -0.03 0.03 0.50 -0.75 4.36 4.11 1xb7A1 GLN 486 HB2 -0.02 0.01 0.09 -0.04 2.15 2.20 1xb7A1 GLN 486 HB3 -0.02 0.07 0.19 -0.04 2.02 2.23 1xb7A1 GLN 486 HG2 -0.01 -0.01 -0.22 -0.04 2.40 2.12 1xb7A1 GLN 486 HG3 -0.01 -0.04 -0.01 -0.04 2.39 2.29 1xb7A1 GLN 486 HE21 -0.01 -0.01 -0.02 -0.04 6.97 6.89 1xb7A1 GLN 486 HE22 -0.01 -0.02 -0.02 -0.04 7.69 7.61 1xb7A1 THR 487 H -0.03 0.61 -0.18 -0.55 8.28 8.13 1xb7A1 THR 487 HA -0.01 -0.03 0.31 -0.75 4.39 3.90 1xb7A1 THR 487 HB -0.04 0.11 0.14 -0.04 4.32 4.49 1xb7A1 THR 487 HG23 -0.01 -0.04 -0.19 -0.04 1.22 0.93 1xb7A1 ALA 488 H -0.07 0.66 -0.05 -0.55 8.40 8.39 1xb7A1 ALA 488 HA -0.11 -0.03 0.49 -0.75 4.34 3.93 1xb7A1 ALA 488 HB3 -0.17 0.02 -0.08 -0.04 1.41 1.14 1xb7A1 GLY 489 H -0.06 0.53 -0.31 -0.55 8.43 8.03 1xb7A1 GLY 489 HA2 -0.07 0.02 0.45 -0.51 4.01 3.90 1xb7A1 GLY 489 HA3 -0.04 0.10 0.32 -0.51 4.01 3.88 1xb7A1 LYS 490 H -0.01 0.48 -0.19 -0.55 8.42 8.15 1xb7A1 LYS 490 HA 0.04 0.03 0.62 -0.75 4.32 4.26 1xb7A1 LYS 490 HB2 0.02 0.19 0.20 -0.04 1.87 2.24 1xb7A1 LYS 490 HB3 0.04 -0.10 -0.03 -0.04 1.79 1.66 1xb7A1 LYS 490 HG2 0.03 -0.07 0.03 -0.04 1.46 1.41 1xb7A1 LYS 490 HG3 0.01 0.05 0.02 -0.04 1.46 1.51 1xb7A1 LYS 490 HD2 0.00 0.06 -0.08 -0.04 1.69 1.63 1xb7A1 LYS 490 HD3 0.01 -0.08 -0.01 -0.04 1.68 1.56 1xb7A1 LYS 490 HE2 0.01 -0.04 -0.02 -0.04 2.99 2.90 1xb7A1 LYS 490 HE3 0.00 0.03 -0.04 -0.04 2.99 2.94 1xb7A1 VAL 491 H 0.04 0.51 -0.06 -0.55 8.24 8.17 1xb7A1 VAL 491 HA 0.26 -0.02 0.46 -0.75 4.13 4.08 1xb7A1 VAL 491 HB -0.02 0.14 0.19 -0.04 2.12 2.39 1xb7A1 VAL 491 HG13 0.21 -0.02 -0.06 -0.04 0.97 1.06 1xb7A1 VAL 491 HG23 0.10 0.04 0.03 -0.04 0.95 1.08 1xb7A1 LEU 492 H -0.00 0.63 -0.09 -0.55 8.37 8.36 1xb7A1 LEU 492 HA 0.12 -0.02 0.37 -0.75 4.35 4.06 1xb7A1 LEU 492 HB2 -0.04 0.08 0.17 -0.04 1.64 1.82 1xb7A1 LEU 492 HB3 0.01 0.04 -0.07 -0.04 1.64 1.57 1xb7A1 LEU 492 HG -0.31 -0.02 0.03 -0.04 1.64 1.29 1xb7A1 LEU 492 HD13 -0.19 -0.00 -0.04 -0.04 0.93 0.66 1xb7A1 LEU 492 HD23 -0.10 -0.00 -0.00 -0.04 0.89 0.74 1xb7A1 ALA 493 H 0.09 0.52 -0.20 -0.55 8.40 8.25 1xb7A1 ALA 493 HA 0.11 0.04 0.46 -0.75 4.34 4.20 1xb7A1 ALA 493 HB3 0.06 0.02 0.14 -0.04 1.41 1.59 1xb7A1 HIS 494 H 0.26 0.50 -0.26 -0.55 8.41 8.37 1xb7A1 HIS 494 HA 0.03 0.00 0.41 -0.75 4.63 4.32 1xb7A1 HIS 494 HB2 0.05 -0.02 0.11 -0.04 3.26 3.37 1xb7A1 HIS 494 HB3 0.13 0.14 0.19 -0.04 3.20 3.62 1xb7A1 HIS 494 HD2 -0.83 -0.01 -0.09 -0.04 6.97 5.99 1xb7A1 HIS 494 HE1 -0.09 -0.09 -0.17 -0.04 7.75 7.36 1xb7A1 PHE 495 H 0.48 0.50 -0.07 -0.55 8.34 8.70 1xb7A1 PHE 495 HA 0.05 0.03 0.53 -0.75 4.62 4.47 1xb7A1 PHE 495 HB2 0.27 0.13 0.10 -0.04 3.15 3.61 1xb7A1 PHE 495 HB3 0.29 -0.04 0.03 -0.04 3.06 3.30 1xb7A1 PHE 495 HD2 0.38 0.16 0.04 -0.04 7.28 7.82 1xb7A1 PHE 495 HE2 0.16 -0.03 -0.04 -0.04 7.38 7.42 1xb7A1 PHE 495 HZ -0.10 -0.03 -0.05 -0.04 7.32 7.11 1xb7A1 TYR 496 H 0.29 0.52 -0.19 -0.55 8.29 8.36 1xb7A1 TYR 496 HA 0.05 0.04 0.61 -0.75 4.56 4.51 1xb7A1 TYR 496 HB2 0.06 0.16 0.13 -0.04 3.06 3.36 1xb7A1 TYR 496 HB3 0.04 0.03 0.10 -0.04 2.98 3.11 1xb7A1 TYR 496 HD2 0.02 -0.01 -0.09 -0.04 7.15 7.04 1xb7A1 TYR 496 HE2 0.02 -0.01 -0.09 -0.04 6.85 6.72 1xb7A1 GLY 497 H 0.07 0.48 -0.18 -0.55 8.43 8.25 1xb7A1 GLY 497 HA2 -0.01 0.01 0.50 -0.51 4.01 4.00 1xb7A1 GLY 497 HA3 -0.06 0.09 0.33 -0.51 4.01 3.86 1xb7A1 VAL 498 H -0.15 0.30 -0.26 -0.55 8.24 7.59 1xb7A1 VAL 498 HA -0.13 -0.01 0.47 -0.75 4.13 3.71 1xb7A1 VAL 498 HB -0.05 0.14 0.15 -0.04 2.12 2.32 1xb7A1 VAL 498 HG13 -0.02 -0.02 -0.08 -0.04 0.97 0.81 1xb7A1 VAL 498 HG23 -0.42 0.05 0.06 -0.04 0.95 0.61 1xb7A1 LYS 499 H -0.07 0.39 -0.27 -0.55 8.42 7.92 1xb7A1 LYS 499 HA -0.05 0.02 0.41 -0.75 4.32 3.95 1xb7A1 LYS 499 HB2 -0.14 0.04 0.17 -0.04 1.87 1.89 1xb7A1 LYS 499 HB3 -0.41 0.20 0.15 -0.04 1.79 1.69 1xb7A1 LYS 499 HG2 -0.18 0.00 -0.15 -0.04 1.46 1.09 1xb7A1 LYS 499 HG3 -0.09 -0.06 0.03 -0.04 1.46 1.30 1xb7A1 LYS 499 HD2 -0.12 -0.04 0.01 -0.04 1.69 1.50 1xb7A1 LYS 499 HD3 -0.49 0.06 -0.01 -0.04 1.68 1.21 1xb7A1 LYS 499 HE2 -0.08 -0.04 -0.04 -0.04 2.99 2.79 1xb7A1 LYS 499 HE3 -0.03 -0.01 -0.03 -0.04 2.99 2.88 1xb7A1 LEU 500 H -0.17 0.34 -0.28 -0.55 8.37 7.72 1xb7A1 LEU 500 HA -0.11 0.03 0.28 -0.75 4.35 3.80 1xb7A1 LEU 500 HB2 -0.07 0.11 0.13 -0.04 1.64 1.78 1xb7A1 LEU 500 HB3 -0.05 -0.06 0.01 -0.04 1.64 1.50 1xb7A1 LEU 500 HG -0.25 0.26 0.10 -0.04 1.64 1.71 1xb7A1 LEU 500 HD13 0.04 -0.03 0.00 -0.04 0.93 0.91 1xb7A1 LEU 500 HD23 -0.13 -0.02 -0.02 -0.04 0.89 0.68 1xb7A1 GLU 501 H -0.07 0.35 -0.13 -0.55 8.60 8.20 1xb7A1 GLU 501 HA -0.04 0.00 0.45 -0.75 4.29 3.95 1xb7A1 GLU 501 HB2 -0.06 0.16 0.18 -0.04 2.09 2.33 1xb7A1 GLU 501 HB3 -0.04 -0.16 0.03 -0.04 1.99 1.78 1xb7A1 GLU 501 HG2 -0.04 -0.04 0.08 -0.04 2.34 2.30 1xb7A1 GLU 501 HG3 -0.05 0.09 0.09 -0.04 2.34 2.43 1xb7A1 GLY 502 H -0.05 0.39 -0.34 -0.55 8.43 7.89 1xb7A1 GLY 502 HA2 -0.03 0.10 0.23 -0.51 4.01 3.79 1xb7A1 GLY 502 HA3 -0.03 0.07 0.31 -0.51 4.01 3.86 1xb7A1 LYS 503 H -0.03 0.01 -0.51 -0.55 8.42 7.34 1xb7A1 LYS 503 HA -0.02 0.08 0.47 -0.75 4.32 4.09 1xb7A1 LYS 503 HB2 -0.03 -0.10 0.12 -0.04 1.87 1.82 1xb7A1 LYS 503 HB3 -0.02 -0.03 0.00 -0.04 1.79 1.70 1xb7A1 LYS 503 HG2 -0.02 0.04 -0.00 -0.04 1.46 1.44 1xb7A1 LYS 503 HG3 -0.03 0.03 -0.02 -0.04 1.46 1.41 1xb7A1 LYS 503 HD2 -0.02 -0.03 0.01 -0.04 1.69 1.61 1xb7A1 LYS 503 HD3 -0.02 -0.01 0.01 -0.04 1.68 1.62 1xb7A1 LYS 503 HE2 -0.03 0.02 0.02 -0.04 2.99 2.97 1xb7A1 LYS 503 HE3 -0.02 -0.02 0.02 -0.04 2.99 2.92 1xb7A1 VAL 504 H -0.02 0.06 -0.03 -0.55 8.24 7.69 1xb7A1 VAL 504 HA -0.02 0.07 0.25 -0.75 4.13 3.67 1xb7A1 VAL 504 HB 0.01 0.03 0.01 -0.04 2.12 2.12 1xb7A1 VAL 504 HG13 -0.01 0.02 -0.14 -0.04 0.97 0.81 1xb7A1 VAL 504 HG23 -0.03 -0.02 0.02 -0.04 0.95 0.88 1xb7A1 PRO 505 HA -0.03 0.11 0.62 -0.51 4.44 4.63 1xb7A1 PRO 505 HB2 -0.09 -0.03 -0.04 -0.04 2.28 2.07 1xb7A1 PRO 505 HB3 -0.04 0.07 0.10 -0.04 2.02 2.11 1xb7A1 PRO 505 HG2 -0.07 -0.05 0.11 -0.04 2.03 1.98 1xb7A1 PRO 505 HG3 -0.04 0.03 0.10 -0.04 2.03 2.07 1xb7A1 PRO 505 HD2 -0.03 -0.05 0.24 -0.04 3.68 3.79 1xb7A1 PRO 505 HD3 -0.03 0.35 0.28 -0.04 3.65 4.21 1xb7A1 MET 506 H -0.02 0.26 0.18 -0.55 8.47 8.34 1xb7A1 MET 506 HA -0.07 0.12 0.86 -0.75 4.52 4.68 1xb7A1 MET 506 HB2 0.12 0.02 0.01 -0.04 2.15 2.25 1xb7A1 MET 506 HB3 0.37 -0.05 -0.02 -0.04 2.03 2.28 1xb7A1 MET 506 HG2 0.22 -0.02 -0.23 -0.04 2.63 2.55 1xb7A1 MET 506 HG3 0.09 0.16 -0.41 -0.04 2.56 2.36 1xb7A1 MET 506 HE3 0.16 0.05 -0.21 -0.04 2.10 2.06 1xb7A1 HIS 507 H 0.01 0.13 0.11 -0.55 8.41 8.11 1xb7A1 HIS 507 HA 0.04 0.16 0.47 -0.75 4.63 4.54 1xb7A1 HIS 507 HB2 0.04 -0.04 0.09 -0.04 3.26 3.32 1xb7A1 HIS 507 HB3 0.03 -0.08 0.14 -0.04 3.20 3.24 1xb7A1 HIS 507 HD2 0.01 0.01 0.00 -0.04 6.97 6.94 1xb7A1 HIS 507 HE1 -0.03 0.03 0.03 -0.04 7.75 7.74 1xb7A1 LYS 508 H 0.14 0.16 0.17 -0.55 8.42 8.35 1xb7A1 LYS 508 HA 0.06 0.15 0.27 -0.75 4.32 4.04 1xb7A1 LYS 508 HB2 0.05 -0.06 0.20 -0.04 1.87 2.02 1xb7A1 LYS 508 HB3 0.03 0.06 -0.02 -0.04 1.79 1.81 1xb7A1 LYS 508 HG2 0.03 0.04 0.04 -0.04 1.46 1.53 1xb7A1 LYS 508 HG3 0.04 0.04 0.09 -0.04 1.46 1.59 1xb7A1 LYS 508 HD2 0.05 -0.05 0.09 -0.04 1.69 1.74 1xb7A1 LYS 508 HD3 0.03 0.02 0.04 -0.04 1.68 1.73 1xb7A1 LYS 508 HE2 0.03 0.03 0.03 -0.04 2.99 3.04 1xb7A1 LYS 508 HE3 0.04 0.00 0.04 -0.04 2.99 3.03 1xb7A1 LEU 509 H 0.06 0.09 -0.02 -0.55 8.37 7.95 1xb7A1 LEU 509 HA -0.02 0.08 0.34 -0.75 4.35 4.00 1xb7A1 LEU 509 HB2 -0.01 0.01 0.10 -0.04 1.64 1.70 1xb7A1 LEU 509 HB3 0.02 -0.03 0.08 -0.04 1.64 1.66 1xb7A1 LEU 509 HG -0.11 0.03 -0.20 -0.04 1.64 1.32 1xb7A1 LEU 509 HD13 -0.07 0.01 -0.00 -0.04 0.93 0.82 1xb7A1 LEU 509 HD23 -0.03 0.04 -0.06 -0.04 0.89 0.79 1xb7A1 PHE 510 H 0.19 0.05 -0.28 -0.55 8.34 7.74 1xb7A1 PHE 510 HA -0.20 0.07 0.37 -0.75 4.62 4.11 1xb7A1 PHE 510 HB2 0.04 -0.08 0.08 -0.04 3.15 3.15 1xb7A1 PHE 510 HB3 0.05 0.09 0.03 -0.04 3.06 3.19 1xb7A1 PHE 510 HD2 0.04 -0.01 -0.10 -0.04 7.28 7.16 1xb7A1 PHE 510 HE2 0.37 0.02 -0.07 -0.04 7.38 7.66 1xb7A1 PHE 510 HZ -0.13 0.01 -0.06 -0.04 7.32 7.09 1xb7A1 LEU 511 H 0.10 0.44 -0.16 -0.55 8.37 8.20 1xb7A1 LEU 511 HA -0.08 0.06 0.45 -0.75 4.35 4.03 1xb7A1 LEU 511 HB2 0.02 0.11 0.13 -0.04 1.64 1.86 1xb7A1 LEU 511 HB3 0.00 -0.02 -0.07 -0.04 1.64 1.51 1xb7A1 LEU 511 HG 0.07 0.02 -0.10 -0.04 1.64 1.59 1xb7A1 LEU 511 HD13 0.02 -0.02 -0.05 -0.04 0.93 0.84 1xb7A1 LEU 511 HD23 -0.01 0.00 -0.00 -0.04 0.89 0.84 1xb7A1 GLU 512 H -0.02 0.61 -0.01 -0.55 8.60 8.62 1xb7A1 GLU 512 HA -0.01 0.01 0.46 -0.75 4.29 3.99 1xb7A1 GLU 512 HB2 -0.02 0.02 0.10 -0.04 2.09 2.16 1xb7A1 GLU 512 HB3 -0.07 0.12 0.13 -0.04 1.99 2.13 1xb7A1 GLU 512 HG2 -0.03 0.00 -0.09 -0.04 2.34 2.19 1xb7A1 GLU 512 HG3 -0.01 -0.02 0.04 -0.04 2.34 2.31 1xb7A1 MET 513 H -0.21 0.44 -0.25 -0.55 8.47 7.90 1xb7A1 MET 513 HA -0.15 0.02 0.46 -0.75 4.52 4.10 1xb7A1 MET 513 HB2 -0.92 0.06 0.07 -0.04 2.15 1.31 1xb7A1 MET 513 HB3 -1.38 -0.02 0.05 -0.04 2.03 0.64 1xb7A1 MET 513 HG2 -0.38 0.29 0.07 -0.04 2.63 2.57 1xb7A1 MET 513 HG3 -0.87 -0.07 -0.04 -0.04 2.56 1.54 1xb7A1 MET 513 HE3 -0.48 -0.01 -0.11 -0.04 2.10 1.45 1xb7A1 LEU 514 H -0.12 0.39 -0.14 -0.55 8.37 7.94 1xb7A1 LEU 514 HA 0.25 0.05 0.59 -0.75 4.35 4.48 1xb7A1 LEU 514 HB2 -0.05 0.08 0.19 -0.04 1.64 1.82 1xb7A1 LEU 514 HB3 0.24 -0.03 -0.03 -0.04 1.64 1.78 1xb7A1 LEU 514 HG -0.27 -0.01 0.00 -0.04 1.64 1.32 1xb7A1 LEU 514 HD13 -0.44 -0.02 -0.13 -0.04 0.93 0.29 1xb7A1 LEU 514 HD23 0.21 -0.02 -0.06 -0.04 0.89 0.98 1xb7A1 GLU 515 H 0.07 0.44 -0.15 -0.55 8.60 8.41 1xb7A1 GLU 515 HA 0.23 0.01 0.44 -0.75 4.29 4.22 1xb7A1 ALA 516 H 0.06 0.24 -0.33 -0.55 8.40 7.83 1xb7A1 ALA 516 HA 0.05 0.02 0.24 -0.75 4.34 3.89 1xb7A1 ALA 516 HB3 0.05 0.00 0.08 -0.04 1.41 1.50