============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 44 1.000 86.237 48.694 -1.702 -99.200 -91.000 PHE 48 1.000 85.469 48.517 -7.219 -99.200 -91.000 TYR 50 0.840 81.015 41.318 -8.967 -99.200 -91.000 PHE 62 1.000 95.351 39.933 -3.273 -99.200 -91.000 TYR 65 0.840 87.518 42.951 -2.928 -99.200 -91.000 TYR 91 0.840 79.174 40.145 -16.164 -99.200 -91.000 PHE 99 1.000 65.002 48.139 -3.321 -99.200 -91.000 TYR 102 0.840 68.813 34.634 -8.771 -99.200 -91.000 PHE 115 1.000 78.731 34.666 -0.879 -99.200 -91.000 TYR 128 0.840 98.627 41.174 1.748 -99.200 -91.000 TYR 134 0.840 78.001 37.064 4.581 -99.200 -91.000 TYR 163 0.840 91.848 32.251 6.433 -99.200 -91.000 PHE 190 1.000 80.121 44.096 10.589 -99.200 -91.000 PHE 191 1.000 72.617 43.059 13.837 -99.200 -91.000 TYR 201 0.840 64.000 46.129 0.420 -99.200 -91.000 HIS 210 0.900 55.089 57.812 -11.808 -99.200 -91.000 TYR 214 0.840 52.668 57.740 -0.715 -99.200 -91.000 TYR 215 0.840 63.792 57.350 1.094 -99.200 -91.000 PHE 218 1.000 65.272 62.205 9.726 -99.200 -91.000 HIS 219 0.900 56.542 55.792 9.487 -99.200 -91.000 HIS 233 0.900 75.136 49.175 21.385 -99.200 -91.000 PHE 238 1.000 81.309 46.951 14.643 -99.200 -91.000 PHE 261 1.000 77.011 58.548 14.102 -99.200 -91.000 TYR 279 0.840 75.961 58.828 25.130 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bg5A1 GLU 251 HA -0.01 -0.10 0.13 -0.75 4.29 3.56 2bg5A1 GLU 251 HB2 -0.01 -0.29 0.11 -0.04 2.09 1.86 2bg5A1 GLU 251 HB3 -0.01 -0.01 0.05 -0.04 1.99 1.98 2bg5A1 GLU 251 HG2 -0.01 0.08 -0.07 -0.04 2.34 2.30 2bg5A1 GLU 251 HG3 -0.01 -0.01 -0.16 -0.04 2.34 2.13 2bg5A1 GLY 252 H -0.01 0.01 0.08 -0.55 8.43 7.96 2bg5A1 GLY 252 HA2 -0.01 0.16 0.42 -0.51 4.01 4.08 2bg5A1 GLY 252 HA3 -0.01 -0.10 0.33 -0.51 4.01 3.73 2bg5A1 LEU 253 H -0.01 0.11 0.17 -0.55 8.37 8.10 2bg5A1 LEU 253 HA -0.01 0.22 0.35 -0.75 4.35 4.16 2bg5A1 LEU 253 HB2 -0.01 -0.12 0.16 -0.04 1.64 1.64 2bg5A1 LEU 253 HB3 -0.01 0.12 0.05 -0.04 1.64 1.75 2bg5A1 LEU 253 HG -0.01 -0.06 0.11 -0.04 1.64 1.65 2bg5A1 LEU 253 HD13 -0.01 0.00 0.04 -0.04 0.93 0.92 2bg5A1 LEU 253 HD23 -0.01 0.04 0.00 -0.04 0.89 0.89 2bg5A1 LYS 254 H -0.01 0.01 -0.05 -0.55 8.42 7.82 2bg5A1 LYS 254 HA -0.01 0.14 0.34 -0.75 4.32 4.04 2bg5A1 LYS 254 HB2 -0.01 -0.06 0.13 -0.04 1.87 1.90 2bg5A1 LYS 254 HB3 -0.01 -0.03 0.04 -0.04 1.79 1.75 2bg5A1 LYS 254 HG2 -0.01 0.04 -0.04 -0.04 1.46 1.41 2bg5A1 LYS 254 HG3 -0.01 0.05 0.05 -0.04 1.46 1.51 2bg5A1 LYS 254 HD2 -0.01 -0.02 0.03 -0.04 1.69 1.65 2bg5A1 LYS 254 HD3 -0.01 -0.02 0.00 -0.04 1.68 1.61 2bg5A1 LYS 254 HE2 -0.01 0.01 -0.01 -0.04 2.99 2.95 2bg5A1 LYS 254 HE3 -0.01 0.03 0.01 -0.04 2.99 2.98 2bg5A1 GLN 255 H -0.01 -0.07 -0.29 -0.55 8.47 7.56 2bg5A1 GLN 255 HA -0.01 0.05 0.41 -0.75 4.36 4.06 2bg5A1 GLN 255 HB2 -0.01 -0.12 0.06 -0.04 2.15 2.04 2bg5A1 GLN 255 HB3 -0.01 0.04 0.03 -0.04 2.02 2.04 2bg5A1 GLN 255 HG2 -0.01 0.14 -0.27 -0.04 2.40 2.22 2bg5A1 GLN 255 HG3 -0.01 -0.01 0.03 -0.04 2.39 2.36 2bg5A1 GLN 255 HE21 -0.01 -0.04 -0.01 -0.04 6.97 6.88 2bg5A1 GLN 255 HE22 -0.01 0.06 -0.03 -0.04 7.69 7.67 2bg5A1 LEU 256 H -0.01 0.42 -0.25 -0.55 8.37 7.98 2bg5A1 LEU 256 HA -0.02 0.02 0.31 -0.75 4.35 3.91 2bg5A1 LEU 256 HB2 -0.02 -0.04 0.06 -0.04 1.64 1.61 2bg5A1 LEU 256 HB3 -0.02 0.05 -0.06 -0.04 1.64 1.57 2bg5A1 LEU 256 HG -0.01 -0.07 -0.24 -0.04 1.64 1.28 2bg5A1 LEU 256 HD13 -0.02 -0.00 -0.17 -0.04 0.93 0.70 2bg5A1 LEU 256 HD23 -0.02 0.01 -0.13 -0.04 0.89 0.71 2bg5A1 LYS 257 H -0.01 0.30 -0.35 -0.55 8.42 7.80 2bg5A1 LYS 257 HA -0.02 0.07 0.12 -0.75 4.32 3.74 2bg5A1 LYS 257 HB2 -0.01 -0.00 0.11 -0.04 1.87 1.93 2bg5A1 LYS 257 HB3 -0.01 -0.04 0.12 -0.04 1.79 1.81 2bg5A1 LYS 257 HG2 -0.02 -0.00 -0.26 -0.04 1.46 1.14 2bg5A1 LYS 257 HG3 -0.02 0.01 -0.15 -0.04 1.46 1.27 2bg5A1 LYS 257 HD2 -0.01 0.11 0.06 -0.04 1.69 1.81 2bg5A1 LYS 257 HD3 -0.01 -0.11 0.02 -0.04 1.68 1.54 2bg5A1 LYS 257 HE2 -0.01 -0.04 -0.03 -0.04 2.99 2.86 2bg5A1 LYS 257 HE3 -0.02 0.27 0.05 -0.04 2.99 3.26 2bg5A1 ASP 258 H -0.02 0.07 -0.15 -0.55 8.40 7.76 2bg5A1 ASP 258 HA -0.02 0.27 0.80 -0.75 4.63 4.92 2bg5A1 ASP 258 HB2 -0.01 -0.06 0.04 -0.04 2.71 2.64 2bg5A1 ASP 258 HB3 -0.02 -0.03 0.15 -0.04 2.70 2.76 2bg5A1 LEU 259 H -0.02 0.41 -0.31 -0.55 8.37 7.91 2bg5A1 LEU 259 HA -0.02 0.00 0.73 -0.75 4.35 4.31 2bg5A1 LEU 259 HB2 -0.02 0.10 0.10 -0.04 1.64 1.78 2bg5A1 LEU 259 HB3 -0.02 0.04 0.04 -0.04 1.64 1.67 2bg5A1 LEU 259 HG -0.02 0.07 0.01 -0.04 1.64 1.66 2bg5A1 LEU 259 HD13 -0.01 -0.05 -0.11 -0.04 0.93 0.71 2bg5A1 LEU 259 HD23 -0.01 -0.02 0.01 -0.04 0.89 0.83 2bg5A1 PRO 260 HA -0.03 0.18 0.54 -0.51 4.44 4.61 2bg5A1 PRO 260 HB2 -0.03 0.02 -0.12 -0.04 2.28 2.10 2bg5A1 PRO 260 HB3 -0.03 0.02 0.05 -0.04 2.02 2.02 2bg5A1 PRO 260 HG2 -0.03 0.01 0.02 -0.04 2.03 2.00 2bg5A1 PRO 260 HG3 -0.02 -0.03 0.05 -0.04 2.03 1.98 2bg5A1 PRO 260 HD2 -0.02 0.04 0.22 -0.04 3.68 3.88 2bg5A1 PRO 260 HD3 -0.02 0.13 0.23 -0.04 3.65 3.95 2bg5A1 ALA 261 H -0.05 0.25 0.15 -0.55 8.40 8.20 2bg5A1 ALA 261 HA -0.06 0.14 0.69 -0.75 4.34 4.35 2bg5A1 ALA 261 HB3 -0.11 0.05 0.14 -0.04 1.41 1.45 2bg5A1 GLU 262 H -0.04 0.48 -0.10 -0.55 8.60 8.39 2bg5A1 GLU 262 HA -0.05 0.35 0.92 -0.75 4.29 4.76 2bg5A1 GLU 262 HB2 -0.04 -0.07 -0.31 -0.04 2.09 1.63 2bg5A1 GLU 262 HB3 -0.03 0.01 -0.05 -0.04 1.99 1.88 2bg5A1 GLU 262 HG2 -0.02 0.15 -0.27 -0.04 2.34 2.16 2bg5A1 GLU 262 HG3 -0.04 -0.03 -0.57 -0.04 2.34 1.65 2bg5A1 THR 263 H -0.03 0.41 0.22 -0.55 8.28 8.34 2bg5A1 THR 263 HA 0.01 0.47 0.59 -0.75 4.39 4.70 2bg5A1 THR 263 HB 0.06 0.03 0.26 -0.04 4.32 4.63 2bg5A1 THR 263 HG23 0.05 0.10 0.13 -0.04 1.22 1.47 2bg5A1 PRO 264 HA 0.00 0.15 0.44 -0.51 4.44 4.53 2bg5A1 PRO 264 HB2 0.02 -0.11 -0.03 -0.04 2.28 2.12 2bg5A1 PRO 264 HB3 0.01 0.02 0.11 -0.04 2.02 2.12 2bg5A1 PRO 264 HG2 0.01 -0.05 -0.09 -0.04 2.03 1.86 2bg5A1 PRO 264 HG3 0.01 0.33 0.10 -0.04 2.03 2.42 2bg5A1 PRO 264 HD2 0.03 -0.12 -0.15 -0.04 3.68 3.40 2bg5A1 PRO 264 HD3 0.01 0.39 -0.04 -0.04 3.65 3.97 2bg5A1 ASP 265 H 0.04 0.01 -0.37 -0.55 8.40 7.53 2bg5A1 ASP 265 HA 0.02 0.26 0.83 -0.75 4.63 4.99 2bg5A1 ASP 265 HB2 0.05 0.04 0.18 -0.04 2.71 2.95 2bg5A1 ASP 265 HB3 0.04 0.01 0.02 -0.04 2.70 2.73 2bg5A1 GLY 266 H 0.00 0.54 -0.41 -0.55 8.43 8.02 2bg5A1 GLY 266 HA2 -0.02 0.10 0.16 -0.51 4.01 3.74 2bg5A1 GLY 266 HA3 -0.01 0.08 0.30 -0.51 4.01 3.87 2bg5A1 LYS 267 H -0.05 -0.04 -0.00 -0.55 8.42 7.77 2bg5A1 LYS 267 HA -0.17 0.16 0.77 -0.75 4.32 4.33 2bg5A1 LYS 267 HB2 -0.52 -0.05 0.02 -0.04 1.87 1.28 2bg5A1 LYS 267 HB3 -0.24 -0.12 0.15 -0.04 1.79 1.53 2bg5A1 LYS 267 HG2 -1.20 -0.01 -0.04 -0.04 1.46 0.16 2bg5A1 LYS 267 HG3 -0.29 0.11 -0.29 -0.04 1.46 0.95 2bg5A1 LYS 267 HD2 -0.24 0.01 0.12 -0.04 1.69 1.54 2bg5A1 LYS 267 HD3 -0.52 -0.10 0.03 -0.04 1.68 1.04 2bg5A1 LYS 267 HE2 -0.15 -0.04 0.01 -0.04 2.99 2.77 2bg5A1 LYS 267 HE3 -0.36 -0.03 -0.02 -0.04 2.99 2.53 2bg5A1 LYS 268 H -0.10 0.16 0.22 -0.55 8.42 8.14 2bg5A1 LYS 268 HA -0.06 0.35 1.06 -0.75 4.32 4.92 2bg5A1 LYS 268 HB2 -0.05 -0.07 -0.06 -0.04 1.87 1.65 2bg5A1 LYS 268 HB3 -0.05 -0.05 0.11 -0.04 1.79 1.75 2bg5A1 LYS 268 HG2 -0.04 0.12 -0.08 -0.04 1.46 1.42 2bg5A1 LYS 268 HG3 -0.04 0.04 -0.08 -0.04 1.46 1.34 2bg5A1 LYS 268 HD2 -0.04 -0.07 -0.05 -0.04 1.69 1.49 2bg5A1 LYS 268 HD3 -0.04 -0.04 -0.03 -0.04 1.68 1.53 2bg5A1 LYS 268 HE2 -0.04 -0.06 -0.03 -0.04 2.99 2.83 2bg5A1 LYS 268 HE3 -0.03 -0.06 -0.02 -0.04 2.99 2.84 2bg5A1 VAL 269 H -0.05 0.65 0.25 -0.55 8.24 8.55 2bg5A1 VAL 269 HA 0.03 0.27 0.76 -0.75 4.13 4.43 2bg5A1 VAL 269 HB 0.25 0.02 -0.02 -0.04 2.12 2.33 2bg5A1 VAL 269 HG13 0.12 -0.02 -0.24 -0.04 0.97 0.79 2bg5A1 VAL 269 HG23 -0.19 0.00 -0.05 -0.04 0.95 0.67 2bg5A1 LEU 271 HA 0.06 -0.01 0.37 -0.75 4.35 4.01 2bg5A1 LEU 271 HB2 -0.04 0.05 0.13 -0.04 1.64 1.74 2bg5A1 LEU 271 HB3 -0.03 -0.02 -0.01 -0.04 1.64 1.54 2bg5A1 LEU 271 HG -0.10 0.04 -0.31 -0.04 1.64 1.22 2bg5A1 LEU 271 HD13 -0.11 0.02 -0.05 -0.04 0.93 0.74 2bg5A1 LEU 271 HD23 -0.29 -0.03 -0.07 -0.04 0.89 0.45 2bg5A1 ALA 272 H 0.07 0.74 0.40 -0.55 8.40 9.06 2bg5A1 ALA 272 HA 0.00 0.09 1.05 -0.75 4.34 4.72 2bg5A1 ALA 272 HB3 0.01 -0.02 -0.35 -0.04 1.41 1.01 2bg5A1 ALA 273 H -0.00 0.59 0.38 -0.55 8.40 8.83 2bg5A1 ALA 273 HA 0.02 0.24 0.96 -0.75 4.34 4.81 2bg5A1 ALA 273 HB3 -0.02 0.02 0.05 -0.04 1.41 1.42 2bg5A1 ASN 274 H 0.02 0.25 0.19 -0.55 8.53 8.44 2bg5A1 ASN 274 HA 0.05 0.20 0.79 -0.75 4.76 5.05 2bg5A1 ASN 274 HB2 0.04 0.02 -0.00 -0.04 2.88 2.90 2bg5A1 ASN 274 HB3 0.05 -0.04 -0.05 -0.04 2.79 2.71 2bg5A1 ASN 274 HD21 0.06 0.45 -0.09 -0.04 7.03 7.41 2bg5A1 ASN 274 HD22 0.05 -0.14 -0.22 -0.04 7.74 7.39 2bg5A1 ILE 275 H 0.04 0.72 0.39 -0.55 8.25 8.85 2bg5A1 ILE 275 HA -0.04 0.13 0.89 -0.75 4.18 4.41 2bg5A1 ILE 275 HB -0.20 -0.11 0.10 -0.04 1.89 1.63 2bg5A1 ILE 275 HG12 -0.21 0.13 0.04 -0.04 1.49 1.40 2bg5A1 ILE 275 HG13 -0.36 -0.09 -0.28 -0.04 1.21 0.44 2bg5A1 ILE 275 HG23 -0.12 0.04 -0.35 -0.04 0.93 0.46 2bg5A1 ILE 275 HD13 -0.92 0.02 -0.16 -0.04 0.88 -0.22 2bg5A1 GLY 276 H -0.06 0.11 0.18 -0.55 8.43 8.11 2bg5A1 GLY 276 HA2 0.19 0.28 1.04 -0.51 4.01 5.01 2bg5A1 GLY 276 HA3 0.07 -0.01 0.37 -0.51 4.01 3.92 2bg5A1 THR 277 H -0.23 0.22 0.14 -0.55 8.28 7.86 2bg5A1 THR 277 HA -1.19 0.18 0.37 -0.75 4.39 3.00 2bg5A1 THR 277 HB -0.35 0.30 0.09 -0.04 4.32 4.32 2bg5A1 THR 277 HG23 -0.12 -0.07 -0.11 -0.04 1.22 0.88 2bg5A1 PRO 278 HA -0.22 0.14 0.45 -0.51 4.44 4.30 2bg5A1 PRO 278 HB2 -0.03 -0.01 0.04 -0.04 2.28 2.24 2bg5A1 PRO 278 HB3 -0.02 0.11 0.08 -0.04 2.02 2.15 2bg5A1 PRO 278 HG2 0.15 0.04 0.11 -0.04 2.03 2.29 2bg5A1 PRO 278 HG3 0.22 0.19 0.08 -0.04 2.03 2.49 2bg5A1 PRO 278 HD2 -0.15 0.10 0.19 -0.04 3.68 3.78 2bg5A1 PRO 278 HD3 -0.62 0.16 0.15 -0.04 3.65 3.31 2bg5A1 LYS 279 H -0.11 0.12 -0.25 -0.55 8.42 7.62 2bg5A1 LYS 279 HA -0.06 0.10 0.46 -0.75 4.32 4.07 2bg5A1 LYS 279 HB2 -0.07 0.01 -0.07 -0.04 1.87 1.71 2bg5A1 LYS 279 HB3 -0.04 0.03 0.07 -0.04 1.79 1.81 2bg5A1 LYS 279 HG2 -0.04 0.03 0.03 -0.04 1.46 1.44 2bg5A1 LYS 279 HG3 -0.06 -0.04 0.03 -0.04 1.46 1.34 2bg5A1 LYS 279 HD2 -0.02 0.02 -0.00 -0.04 1.69 1.64 2bg5A1 LYS 279 HD3 -0.02 0.01 0.01 -0.04 1.68 1.64 2bg5A1 LYS 279 HE2 -0.01 0.00 0.00 -0.04 2.99 2.95 2bg5A1 LYS 279 HE3 0.01 0.02 0.01 -0.04 2.99 2.98 2bg5A1 ASP 280 H -0.15 0.54 -0.32 -0.55 8.40 7.92 2bg5A1 ASP 280 HA -0.07 0.08 0.50 -0.75 4.63 4.38 2bg5A1 ASP 280 HB2 -0.15 0.09 0.14 -0.04 2.71 2.75 2bg5A1 ASP 280 HB3 -0.08 0.04 0.19 -0.04 2.70 2.80 2bg5A1 VAL 281 H -0.12 0.45 -0.30 -0.55 8.24 7.73 2bg5A1 VAL 281 HA -0.10 0.07 0.34 -0.75 4.13 3.69 2bg5A1 VAL 281 HB -0.09 0.13 0.16 -0.04 2.12 2.28 2bg5A1 VAL 281 HG13 -0.06 0.02 -0.13 -0.04 0.97 0.77 2bg5A1 VAL 281 HG23 -0.16 0.00 0.02 -0.04 0.95 0.77 2bg5A1 ALA 282 H -0.05 0.19 -0.13 -0.55 8.40 7.85 2bg5A1 ALA 282 HA -0.03 0.13 0.39 -0.75 4.34 4.07 2bg5A1 ALA 282 HB3 -0.03 0.01 0.08 -0.04 1.41 1.43 2bg5A1 SER 283 H -0.04 0.14 -0.21 -0.55 8.46 7.80 2bg5A1 SER 283 HA -0.02 0.06 0.39 -0.75 4.49 4.16 2bg5A1 SER 283 HB2 -0.03 -0.03 0.11 -0.04 3.95 3.96 2bg5A1 SER 283 HB3 -0.03 0.09 0.11 -0.04 3.93 4.06 2bg5A1 ALA 284 H -0.05 0.33 -0.18 -0.55 8.40 7.96 2bg5A1 ALA 284 HA -0.03 -0.04 0.40 -0.75 4.34 3.91 2bg5A1 ALA 284 HB3 -0.05 0.05 0.10 -0.04 1.41 1.47 2bg5A1 LEU 285 H -0.04 0.62 -0.04 -0.55 8.37 8.37 2bg5A1 LEU 285 HA -0.03 0.13 0.48 -0.75 4.35 4.19 2bg5A1 LEU 285 HB2 -0.03 -0.01 0.14 -0.04 1.64 1.70 2bg5A1 LEU 285 HB3 -0.02 -0.01 0.05 -0.04 1.64 1.61 2bg5A1 LEU 285 HG -0.04 -0.00 0.05 -0.04 1.64 1.61 2bg5A1 LEU 285 HD13 -0.03 0.02 0.02 -0.04 0.93 0.90 2bg5A1 LEU 285 HD23 -0.03 0.02 -0.03 -0.04 0.89 0.81 2bg5A1 ALA 286 H -0.02 0.39 -0.25 -0.55 8.40 7.97 2bg5A1 ALA 286 HA -0.02 0.00 0.39 -0.75 4.34 3.96 2bg5A1 ALA 286 HB3 -0.02 -0.01 0.12 -0.04 1.41 1.46 2bg5A1 ASN 287 H -0.02 0.39 -0.32 -0.55 8.53 8.04 2bg5A1 ASN 287 HA -0.01 0.06 0.70 -0.75 4.76 4.75 2bg5A1 ASN 287 HB2 -0.01 0.04 0.06 -0.04 2.88 2.93 2bg5A1 ASN 287 HB3 -0.01 0.04 0.15 -0.04 2.79 2.93 2bg5A1 ASN 287 HD21 -0.01 -0.16 -0.11 -0.04 7.03 6.71 2bg5A1 ASN 287 HD22 -0.02 0.45 -0.04 -0.04 7.74 8.09 2bg5A1 GLY 288 H -0.02 0.39 -0.34 -0.55 8.43 7.92 2bg5A1 GLY 288 HA2 -0.02 0.03 0.29 -0.51 4.01 3.80 2bg5A1 GLY 288 HA3 -0.02 0.22 0.42 -0.51 4.01 4.12 2bg5A1 ALA 289 H -0.02 0.26 -0.01 -0.55 8.40 8.09 2bg5A1 ALA 289 HA -0.02 0.11 0.35 -0.75 4.34 4.03 2bg5A1 ALA 289 HB3 -0.02 -0.04 0.01 -0.04 1.41 1.32 2bg5A1 GLU 290 H -0.02 0.72 0.46 -0.55 8.60 9.21 2bg5A1 GLU 290 HA -0.03 0.14 0.84 -0.75 4.29 4.48 2bg5A1 GLU 290 HB2 -0.03 0.12 0.09 -0.04 2.09 2.22 2bg5A1 GLU 290 HB3 -0.04 -0.13 0.17 -0.04 1.99 1.95 2bg5A1 GLU 290 HG2 -0.03 -0.08 0.03 -0.04 2.34 2.22 2bg5A1 GLU 290 HG3 -0.03 0.23 0.15 -0.04 2.34 2.65 2bg5A1 GLY 291 H -0.02 0.18 -0.09 -0.55 8.43 7.95 2bg5A1 GLY 291 HA2 -0.03 0.07 0.10 -0.51 4.01 3.65 2bg5A1 GLY 291 HA3 -0.03 0.13 0.37 -0.51 4.01 3.97 2bg5A1 VAL 292 H -0.01 0.87 0.24 -0.55 8.24 8.79 2bg5A1 VAL 292 HA -0.01 0.13 0.82 -0.75 4.13 4.32 2bg5A1 VAL 292 HB 0.01 -0.06 0.13 -0.04 2.12 2.17 2bg5A1 VAL 292 HG13 -0.02 -0.04 -0.28 -0.04 0.97 0.58 2bg5A1 VAL 292 HG23 -0.08 0.00 -0.19 -0.04 0.95 0.65 2bg5A1 GLY 293 H 0.03 0.42 0.03 -0.55 8.43 8.36 2bg5A1 GLY 293 HA2 0.02 0.13 0.39 -0.51 4.01 4.04 2bg5A1 GLY 293 HA3 0.05 0.01 0.10 -0.51 4.01 3.65 2bg5A1 LEU 294 H 0.07 0.23 -0.14 -0.55 8.37 7.99 2bg5A1 LEU 294 HA 0.13 0.23 0.58 -0.75 4.35 4.53 2bg5A1 LEU 294 HB2 0.10 0.19 -0.26 -0.04 1.64 1.63 2bg5A1 LEU 294 HB3 0.09 -0.09 -0.04 -0.04 1.64 1.55 2bg5A1 LEU 294 HG 0.13 -0.12 -0.34 -0.04 1.64 1.28 2bg5A1 LEU 294 HD13 0.12 0.01 -0.16 -0.04 0.93 0.85 2bg5A1 LEU 294 HD23 0.09 -0.01 -0.11 -0.04 0.89 0.82 2bg5A1 PHE 295 H 0.24 0.69 0.19 -0.55 8.34 8.91 2bg5A1 PHE 295 HA 0.06 0.10 0.75 -0.75 4.62 4.78 2bg5A1 PHE 295 HB2 0.05 0.02 -0.13 -0.04 3.15 3.05 2bg5A1 PHE 295 HB3 0.06 -0.04 0.04 -0.04 3.06 3.08 2bg5A1 PHE 295 HD2 0.11 0.12 -0.17 -0.04 7.28 7.29 2bg5A1 PHE 295 HE2 0.07 0.00 -0.21 -0.04 7.38 7.20 2bg5A1 PHE 295 HZ 0.26 -0.04 -0.19 -0.04 7.32 7.31 2bg5A1 ARG 296 H 0.35 0.56 0.21 -0.55 8.46 9.03 2bg5A1 ARG 296 HA 0.16 0.10 0.50 -0.75 4.34 4.35 2bg5A1 ARG 296 HB2 0.23 -0.01 0.20 -0.04 1.90 2.28 2bg5A1 ARG 296 HB3 0.18 -0.12 0.09 -0.04 1.80 1.90 2bg5A1 ARG 296 HG2 0.13 0.03 -0.03 -0.04 1.67 1.76 2bg5A1 ARG 296 HG3 0.15 0.15 -0.00 -0.04 1.67 1.92 2bg5A1 ARG 296 HD2 0.11 -0.04 -0.06 -0.04 3.22 3.19 2bg5A1 ARG 296 HD3 0.10 -0.04 -0.01 -0.04 3.22 3.23 2bg5A1 THR 297 H 0.15 0.17 0.14 -0.55 8.28 8.19 2bg5A1 THR 297 HA 0.32 0.21 0.63 -0.75 4.39 4.80 2bg5A1 THR 297 HB 0.17 -0.07 0.10 -0.04 4.32 4.47 2bg5A1 THR 297 HG23 -0.16 0.07 -0.19 -0.04 1.22 0.90 2bg5A1 GLU 298 H 0.22 0.11 -0.07 -0.55 8.60 8.32 2bg5A1 GLU 298 HA 0.18 0.05 0.41 -0.75 4.29 4.18 2bg5A1 GLU 298 HB2 0.16 0.04 0.04 -0.04 2.09 2.29 2bg5A1 GLU 298 HB3 0.13 0.07 -0.01 -0.04 1.99 2.14 2bg5A1 GLU 298 HG2 0.06 0.11 -0.02 -0.04 2.34 2.45 2bg5A1 GLU 298 HG3 0.02 -0.06 -0.05 -0.04 2.34 2.21 2bg5A1 PHE 299 H 0.56 0.16 -0.42 -0.55 8.34 8.09 2bg5A1 PHE 299 HA 0.10 0.08 0.31 -0.75 4.62 4.36 2bg5A1 PHE 299 HB2 0.08 -0.03 0.10 -0.04 3.15 3.26 2bg5A1 PHE 299 HB3 0.12 0.17 0.16 -0.04 3.06 3.48 2bg5A1 PHE 299 HD2 0.12 -0.05 -0.09 -0.04 7.28 7.23 2bg5A1 PHE 299 HE2 0.05 0.03 -0.04 -0.04 7.38 7.38 2bg5A1 PHE 299 HZ 0.23 0.01 -0.09 -0.04 7.32 7.43 2bg5A1 LEU 300 H -0.48 0.32 -0.42 -0.55 8.37 7.24 2bg5A1 LEU 300 HA -0.42 0.08 0.39 -0.75 4.35 3.65 2bg5A1 LEU 300 HB2 -0.46 0.15 0.05 -0.04 1.64 1.34 2bg5A1 LEU 300 HB3 -0.59 -0.05 0.01 -0.04 1.64 0.97 2bg5A1 LEU 300 HG -2.19 -0.06 -0.06 -0.04 1.64 -0.71 2bg5A1 LEU 300 HD13 -0.43 0.00 0.00 -0.04 0.93 0.46 2bg5A1 LEU 300 HD23 -0.39 -0.01 -0.07 -0.04 0.89 0.37 2bg5A1 TYR 301 H 0.19 0.34 -0.42 -0.55 8.29 7.84 2bg5A1 TYR 301 HA 0.09 0.21 0.72 -0.75 4.56 4.83 2bg5A1 TYR 301 HB2 0.05 0.04 0.08 -0.04 3.06 3.19 2bg5A1 TYR 301 HB3 0.12 -0.03 0.04 -0.04 2.98 3.08 2bg5A1 TYR 301 HD2 0.06 0.06 -0.02 -0.04 7.15 7.20 2bg5A1 TYR 301 HE2 0.04 0.01 -0.04 -0.04 6.85 6.81 2bg5A1 ASP 303 HA 0.07 -0.07 0.27 -0.75 4.63 4.15 2bg5A1 ASP 303 HB2 0.07 0.01 0.14 -0.04 2.71 2.89 2bg5A1 ASP 303 HB3 0.05 -0.05 0.12 -0.04 2.70 2.79 2bg5A1 ARG 304 H 0.14 0.35 0.29 -0.55 8.46 8.68 2bg5A1 ARG 304 HA 0.01 0.00 0.43 -0.75 4.34 4.03 2bg5A1 ARG 304 HB2 -0.08 -0.14 0.08 -0.04 1.90 1.71 2bg5A1 ARG 304 HB3 -0.01 0.20 -0.36 -0.04 1.80 1.60 2bg5A1 ARG 304 HG2 0.06 0.09 -0.49 -0.04 1.67 1.29 2bg5A1 ARG 304 HG3 -0.04 -0.10 -0.32 -0.04 1.67 1.17 2bg5A1 ARG 304 HD2 -0.28 0.38 0.09 -0.04 3.22 3.37 2bg5A1 ARG 304 HD3 -0.21 -0.22 -0.05 -0.04 3.22 2.70 2bg5A1 ASN 305 H -0.08 0.14 0.10 -0.55 8.53 8.14 2bg5A1 ASN 305 HA 0.11 0.17 0.91 -0.75 4.76 5.19 2bg5A1 ASN 305 HB2 -0.03 0.01 0.09 -0.04 2.88 2.91 2bg5A1 ASN 305 HB3 0.03 -0.00 0.18 -0.04 2.79 2.96 2bg5A1 ASN 305 HD21 0.02 0.02 -0.04 -0.04 7.03 6.99 2bg5A1 ASN 305 HD22 0.00 0.00 0.00 -0.04 7.74 7.70 2bg5A1 SER 306 H -0.67 0.34 -0.11 -0.55 8.46 7.48 2bg5A1 SER 306 HA -0.52 0.07 0.42 -0.75 4.49 3.71 2bg5A1 SER 306 HB2 -0.17 -0.00 0.09 -0.04 3.95 3.83 2bg5A1 SER 306 HB3 -0.16 0.11 0.08 -0.04 3.93 3.92 2bg5A1 LEU 307 H -0.16 0.08 0.07 -0.55 8.37 7.82 2bg5A1 LEU 307 HA -0.02 0.16 0.45 -0.75 4.35 4.19 2bg5A1 LEU 307 HB2 0.01 -0.08 0.02 -0.04 1.64 1.54 2bg5A1 LEU 307 HB3 0.05 0.13 -0.01 -0.04 1.64 1.78 2bg5A1 LEU 307 HG 0.22 -0.04 0.01 -0.04 1.64 1.78 2bg5A1 LEU 307 HD13 0.11 -0.01 -0.01 -0.04 0.93 0.98 2bg5A1 LEU 307 HD23 0.41 0.02 -0.03 -0.04 0.89 1.25 2bg5A1 PRO 308 HA -0.19 0.02 0.56 -0.51 4.44 4.32 2bg5A1 PRO 308 HB2 -0.33 -0.05 -0.03 -0.04 2.28 1.83 2bg5A1 PRO 308 HB3 -0.37 0.30 0.14 -0.04 2.02 2.05 2bg5A1 PRO 308 HG2 -0.55 -0.05 0.02 -0.04 2.03 1.42 2bg5A1 PRO 308 HG3 -1.31 0.01 -0.16 -0.04 2.03 0.52 2bg5A1 PRO 308 HD2 -0.23 -0.01 0.17 -0.04 3.68 3.56 2bg5A1 PRO 308 HD3 -0.38 0.26 0.17 -0.04 3.65 3.66 2bg5A1 SER 309 H -0.11 0.08 0.17 -0.55 8.46 8.06 2bg5A1 SER 309 HA -0.05 0.17 0.40 -0.75 4.49 4.26 2bg5A1 SER 309 HB2 -0.03 -0.00 0.16 -0.04 3.95 4.03 2bg5A1 SER 309 HB3 -0.05 0.14 0.15 -0.04 3.93 4.13 2bg5A1 GLU 310 H -0.02 0.18 0.17 -0.55 8.60 8.39 2bg5A1 GLU 310 HA 0.01 0.19 0.36 -0.75 4.29 4.10 2bg5A1 GLU 310 HB2 -0.00 0.03 0.17 -0.04 2.09 2.24 2bg5A1 GLU 310 HB3 -0.01 -0.05 0.08 -0.04 1.99 1.97 2bg5A1 GLU 310 HG2 0.00 -0.02 -0.14 -0.04 2.34 2.14 2bg5A1 GLU 310 HG3 0.03 0.16 0.09 -0.04 2.34 2.57 2bg5A1 GLU 311 H -0.01 0.04 -0.20 -0.55 8.60 7.88 2bg5A1 GLU 311 HA 0.10 0.15 0.34 -0.75 4.29 4.12 2bg5A1 GLU 311 HB2 0.00 -0.02 0.09 -0.04 2.09 2.12 2bg5A1 GLU 311 HB3 0.01 0.00 -0.01 -0.04 1.99 1.95 2bg5A1 GLU 311 HG2 0.02 0.02 -0.01 -0.04 2.34 2.33 2bg5A1 GLU 311 HG3 0.08 0.02 -0.05 -0.04 2.34 2.35 2bg5A1 GLU 312 H -0.04 0.02 -0.24 -0.55 8.60 7.80 2bg5A1 GLU 312 HA -0.05 0.07 0.41 -0.75 4.29 3.97 2bg5A1 GLU 312 HB2 -0.07 -0.03 0.10 -0.04 2.09 2.05 2bg5A1 GLU 312 HB3 -0.11 0.03 0.11 -0.04 1.99 1.98 2bg5A1 GLU 312 HG2 -0.17 0.06 -0.24 -0.04 2.34 1.95 2bg5A1 GLU 312 HG3 -0.08 -0.02 0.04 -0.04 2.34 2.24 2bg5A1 GLN 313 H -0.13 0.46 -0.31 -0.55 8.47 7.95 2bg5A1 GLN 313 HA -0.49 0.04 0.41 -0.75 4.36 3.57 2bg5A1 GLN 313 HB2 -0.11 0.09 0.08 -0.04 2.15 2.17 2bg5A1 GLN 313 HB3 -0.49 -0.01 -0.05 -0.04 2.02 1.43 2bg5A1 GLN 313 HG2 -0.33 -0.05 -0.05 -0.04 2.40 1.93 2bg5A1 GLN 313 HG3 -0.20 0.16 -0.16 -0.04 2.39 2.15 2bg5A1 GLN 313 HE21 0.09 -0.07 -0.15 -0.04 6.97 6.80 2bg5A1 GLN 313 HE22 -0.10 0.27 -0.23 -0.04 7.69 7.59 2bg5A1 PHE 314 H 0.05 0.58 -0.08 -0.55 8.34 8.34 2bg5A1 PHE 314 HA 0.03 0.11 0.40 -0.75 4.62 4.40 2bg5A1 PHE 314 HB2 0.02 0.01 0.15 -0.04 3.15 3.30 2bg5A1 PHE 314 HB3 -0.03 0.02 0.22 -0.04 3.06 3.22 2bg5A1 PHE 314 HD2 0.06 0.06 -0.02 -0.04 7.28 7.33 2bg5A1 PHE 314 HE2 0.10 0.07 -0.24 -0.04 7.38 7.27 2bg5A1 PHE 314 HZ -0.08 0.03 -0.08 -0.04 7.32 7.15 2bg5A1 GLU 315 H -0.05 0.54 -0.21 -0.55 8.60 8.34 2bg5A1 GLU 315 HA -0.46 0.04 0.39 -0.75 4.29 3.51 2bg5A1 GLU 315 HB2 -0.07 0.09 0.12 -0.04 2.09 2.18 2bg5A1 GLU 315 HB3 -0.09 -0.04 -0.00 -0.04 1.99 1.81 2bg5A1 GLU 315 HG2 0.08 0.18 0.06 -0.04 2.34 2.62 2bg5A1 GLU 315 HG3 -0.00 -0.07 -0.01 -0.04 2.34 2.22 2bg5A1 ALA 316 H -0.18 0.40 -0.20 -0.55 8.40 7.87 2bg5A1 ALA 316 HA 0.05 -0.01 0.45 -0.75 4.34 4.08 2bg5A1 ALA 316 HB3 0.11 0.01 0.10 -0.04 1.41 1.59 2bg5A1 TYR 317 H -0.30 0.64 -0.12 -0.55 8.29 7.96 2bg5A1 TYR 317 HA 0.29 -0.00 0.35 -0.75 4.56 4.45 2bg5A1 TYR 317 HB2 0.05 0.09 0.03 -0.04 3.06 3.20 2bg5A1 TYR 317 HB3 0.11 -0.00 -0.04 -0.04 2.98 3.00 2bg5A1 TYR 317 HD2 -0.01 0.01 -0.37 -0.04 7.15 6.74 2bg5A1 TYR 317 HE2 -0.14 -0.03 -0.11 -0.04 6.85 6.53 2bg5A1 LYS 318 H -0.18 0.69 -0.07 -0.55 8.42 8.31 2bg5A1 LYS 318 HA -0.02 0.07 0.38 -0.75 4.32 3.99 2bg5A1 LYS 318 HB2 -0.73 0.01 0.09 -0.04 1.87 1.20 2bg5A1 LYS 318 HB3 -0.61 0.02 0.15 -0.04 1.79 1.31 2bg5A1 LYS 318 HG2 -0.32 -0.03 -0.20 -0.04 1.46 0.87 2bg5A1 LYS 318 HG3 -0.28 0.01 0.00 -0.04 1.46 1.15 2bg5A1 LYS 318 HD2 -0.95 0.01 -0.03 -0.04 1.69 0.67 2bg5A1 LYS 318 HD3 -0.87 0.03 -0.03 -0.04 1.68 0.77 2bg5A1 LYS 318 HE2 -0.24 -0.03 -0.05 -0.04 2.99 2.64 2bg5A1 LYS 318 HE3 -0.62 -0.01 -0.05 -0.04 2.99 2.26 2bg5A1 GLU 319 H -0.09 0.62 -0.15 -0.55 8.60 8.43 2bg5A1 GLU 319 HA -0.06 -0.01 0.40 -0.75 4.29 3.86 2bg5A1 GLU 319 HB2 -0.04 0.01 0.14 -0.04 2.09 2.15 2bg5A1 GLU 319 HB3 0.02 0.09 0.15 -0.04 1.99 2.20 2bg5A1 GLU 319 HG2 -0.03 0.03 -0.25 -0.04 2.34 2.06 2bg5A1 GLU 319 HG3 -0.03 -0.02 0.05 -0.04 2.34 2.29 2bg5A1 VAL 320 H 0.11 0.36 -0.30 -0.55 8.24 7.87 2bg5A1 VAL 320 HA -0.04 -0.02 0.28 -0.75 4.13 3.59 2bg5A1 VAL 320 HB 0.22 0.12 0.08 -0.04 2.12 2.50 2bg5A1 VAL 320 HG13 -0.22 -0.01 -0.17 -0.04 0.97 0.54 2bg5A1 VAL 320 HG23 -0.25 -0.00 0.01 -0.04 0.95 0.67 2bg5A1 VAL 321 H 0.10 0.48 -0.13 -0.55 8.24 8.14 2bg5A1 VAL 321 HA 0.07 0.03 0.23 -0.75 4.13 3.70 2bg5A1 VAL 321 HB 0.11 0.02 0.06 -0.04 2.12 2.27 2bg5A1 VAL 321 HG13 0.12 0.04 -0.41 -0.04 0.97 0.68 2bg5A1 VAL 321 HG23 0.16 0.02 -0.12 -0.04 0.95 0.96 2bg5A1 GLU 322 H 0.02 0.53 -0.18 -0.55 8.60 8.44 2bg5A1 GLU 322 HA 0.05 0.08 0.45 -0.75 4.29 4.11 2bg5A1 GLU 322 HB2 -0.02 0.06 0.18 -0.04 2.09 2.27 2bg5A1 GLU 322 HB3 -0.00 -0.10 -0.04 -0.04 1.99 1.80 2bg5A1 GLU 322 HG2 0.00 -0.04 0.04 -0.04 2.34 2.30 2bg5A1 GLU 322 HG3 -0.04 0.13 0.05 -0.04 2.34 2.44 2bg5A1 LYS 323 H -0.01 0.46 -0.05 -0.55 8.42 8.26 2bg5A1 LYS 323 HA -0.01 -0.04 0.22 -0.75 4.32 3.73 2bg5A1 LYS 323 HB2 -0.03 0.13 0.14 -0.04 1.87 2.06 2bg5A1 LYS 323 HB3 -0.03 -0.09 0.10 -0.04 1.79 1.72 2bg5A1 LYS 323 HG2 -0.02 -0.07 0.02 -0.04 1.46 1.34 2bg5A1 LYS 323 HG3 -0.03 0.09 0.08 -0.04 1.46 1.56 2bg5A1 LYS 323 HD2 -0.04 -0.00 -0.06 -0.04 1.69 1.55 2bg5A1 LYS 323 HD3 -0.04 -0.06 -0.01 -0.04 1.68 1.53 2bg5A1 LYS 323 HE2 -0.03 -0.09 -0.03 -0.04 2.99 2.80 2bg5A1 LYS 323 HE3 -0.03 -0.02 -0.01 -0.04 2.99 2.89 2bg5A1 GLY 325 HA2 0.01 0.02 0.27 -0.51 4.01 3.80 2bg5A1 GLY 325 HA3 0.00 -0.09 0.40 -0.51 4.01 3.81 2bg5A1 GLY 326 H 0.02 0.29 0.20 -0.55 8.43 8.40 2bg5A1 GLY 326 HA2 0.01 -0.11 0.38 -0.51 4.01 3.79 2bg5A1 GLY 326 HA3 0.00 0.12 0.77 -0.51 4.01 4.40 2bg5A1 ARG 327 H -0.00 0.16 -0.45 -0.55 8.46 7.61 2bg5A1 ARG 327 HA -0.02 0.11 0.50 -0.75 4.34 4.17 2bg5A1 ARG 327 HB2 -0.02 -0.07 -0.15 -0.04 1.90 1.63 2bg5A1 ARG 327 HB3 -0.03 0.12 -0.22 -0.04 1.80 1.64 2bg5A1 ARG 327 HG2 -0.02 0.05 -0.07 -0.04 1.67 1.59 2bg5A1 ARG 327 HG3 -0.02 -0.01 -0.11 -0.04 1.67 1.49 2bg5A1 ARG 327 HD2 -0.02 -0.07 -0.18 -0.04 3.22 2.91 2bg5A1 ARG 327 HD3 -0.02 -0.01 -0.28 -0.04 3.22 2.87 2bg5A1 PRO 328 HA -0.01 0.26 0.43 -0.51 4.44 4.61 2bg5A1 PRO 328 HB2 -0.07 -0.04 -0.16 -0.04 2.28 1.97 2bg5A1 PRO 328 HB3 -0.06 -0.00 -0.02 -0.04 2.02 1.90 2bg5A1 PRO 328 HG2 -0.08 -0.03 0.03 -0.04 2.03 1.90 2bg5A1 PRO 328 HG3 -0.12 0.03 0.02 -0.04 2.03 1.91 2bg5A1 PRO 328 HD2 -0.05 0.34 0.32 -0.04 3.68 4.25 2bg5A1 PRO 328 HD3 -0.05 0.13 0.23 -0.04 3.65 3.92 2bg5A1 VAL 329 H 0.02 0.70 0.39 -0.55 8.24 8.81 2bg5A1 VAL 329 HA 0.04 0.04 0.87 -0.75 4.13 4.32 2bg5A1 VAL 329 HB 0.08 0.01 0.09 -0.04 2.12 2.26 2bg5A1 VAL 329 HG13 0.19 -0.05 -0.23 -0.04 0.97 0.84 2bg5A1 VAL 329 HG23 0.03 0.06 -0.25 -0.04 0.95 0.74 2bg5A1 THR 330 H 0.06 0.58 -0.01 -0.55 8.28 8.36 2bg5A1 THR 330 HA 0.05 0.12 0.69 -0.75 4.39 4.49 2bg5A1 THR 330 HB 0.06 -0.02 -0.29 -0.04 4.32 4.03 2bg5A1 THR 330 HG23 0.14 -0.02 -0.35 -0.04 1.22 0.95 2bg5A1 ILE 331 H 0.04 0.76 0.25 -0.55 8.25 8.75 2bg5A1 ILE 331 HA 0.07 0.05 0.66 -0.75 4.18 4.21 2bg5A1 ILE 331 HB -0.15 0.02 0.11 -0.04 1.89 1.83 2bg5A1 ILE 331 HG12 0.15 -0.05 -0.22 -0.04 1.49 1.32 2bg5A1 ILE 331 HG13 0.05 0.14 -0.20 -0.04 1.21 1.17 2bg5A1 ILE 331 HG23 -0.54 -0.01 -0.18 -0.04 0.93 0.15 2bg5A1 ILE 331 HD13 -0.19 -0.01 -0.08 -0.04 0.88 0.56 2bg5A1 ARG 332 H 0.07 0.47 0.22 -0.55 8.46 8.67 2bg5A1 ARG 332 HA 0.05 0.13 0.70 -0.75 4.34 4.46 2bg5A1 ARG 332 HB2 0.10 0.02 -0.02 -0.04 1.90 1.95 2bg5A1 ARG 332 HB3 0.08 -0.13 0.10 -0.04 1.80 1.81 2bg5A1 ARG 332 HG2 0.06 0.25 -0.14 -0.04 1.67 1.80 2bg5A1 ARG 332 HG3 0.07 0.06 -0.08 -0.04 1.67 1.68 2bg5A1 ARG 332 HD2 0.07 -0.05 -0.06 -0.04 3.22 3.13 2bg5A1 ARG 332 HD3 0.09 0.05 -0.10 -0.04 3.22 3.22 2bg5A1 THR 333 H 0.08 0.18 0.16 -0.55 8.28 8.15 2bg5A1 THR 333 HA 0.09 0.06 0.44 -0.75 4.39 4.23 2bg5A1 THR 333 HB 0.31 -0.10 0.09 -0.04 4.32 4.58 2bg5A1 THR 333 HG23 0.24 0.03 0.01 -0.04 1.22 1.46 2bg5A1 LEU 334 H 0.06 0.09 0.08 -0.55 8.37 8.06 2bg5A1 LEU 334 HA -0.11 -0.04 0.21 -0.75 4.35 3.66 2bg5A1 LEU 334 HB2 -0.32 0.05 0.07 -0.04 1.64 1.40 2bg5A1 LEU 334 HB3 -0.18 0.00 0.07 -0.04 1.64 1.49 2bg5A1 LEU 334 HG -0.28 -0.12 -0.20 -0.04 1.64 1.00 2bg5A1 LEU 334 HD13 -0.67 -0.01 -0.06 -0.04 0.93 0.15 2bg5A1 LEU 334 HD23 -0.53 0.02 -0.06 -0.04 0.89 0.28 2bg5A1 ASP 335 H -0.05 0.10 -0.02 -0.55 8.40 7.89 2bg5A1 ASP 335 HA -0.06 0.08 0.89 -0.75 4.63 4.79 2bg5A1 ASP 335 HB2 0.02 0.25 -0.04 -0.04 2.71 2.90 2bg5A1 ASP 335 HB3 0.03 -0.07 0.21 -0.04 2.70 2.83 2bg5A1 ILE 336 H -0.11 0.22 0.06 -0.55 8.25 7.87 2bg5A1 ILE 336 HA -0.01 0.18 0.88 -0.75 4.18 4.48 2bg5A1 ILE 336 HB -0.10 -0.12 -0.12 -0.04 1.89 1.50 2bg5A1 ILE 336 HG12 -0.01 -0.03 0.16 -0.04 1.49 1.58 2bg5A1 ILE 336 HG13 0.01 0.00 0.04 -0.04 1.21 1.22 2bg5A1 ILE 336 HG23 -0.13 0.03 -0.13 -0.04 0.93 0.65 2bg5A1 ILE 336 HD13 -0.01 0.02 -0.04 -0.04 0.88 0.81 2bg5A1 GLY 337 H 0.01 0.18 0.20 -0.55 8.43 8.27 2bg5A1 GLY 337 HA2 -0.03 0.29 0.88 -0.51 4.01 4.64 2bg5A1 GLY 337 HA3 0.02 0.05 0.26 -0.51 4.01 3.83 2bg5A1 GLY 338 H 0.04 0.24 0.11 -0.55 8.43 8.27 2bg5A1 GLY 338 HA2 0.01 0.16 0.33 -0.51 4.01 4.00 2bg5A1 GLY 338 HA3 0.03 0.16 0.32 -0.51 4.01 4.01 2bg5A1 ASP 339 H 0.05 -0.03 -0.48 -0.55 8.40 7.38 2bg5A1 ASP 339 HA 0.03 0.10 0.51 -0.75 4.63 4.51 2bg5A1 ASP 339 HB2 0.02 0.04 0.00 -0.04 2.71 2.73 2bg5A1 ASP 339 HB3 0.05 -0.04 0.02 -0.04 2.70 2.69 2bg5A1 LYS 340 H 0.02 0.36 -0.25 -0.55 8.42 8.00 2bg5A1 LYS 340 HA 0.02 0.11 0.74 -0.75 4.32 4.43 2bg5A1 LYS 340 HB2 0.01 0.06 0.15 -0.04 1.87 2.05 2bg5A1 LYS 340 HB3 0.02 0.05 -0.08 -0.04 1.79 1.74 2bg5A1 LYS 340 HG2 0.03 -0.12 -0.02 -0.04 1.46 1.32 2bg5A1 LYS 340 HG3 0.03 -0.01 0.01 -0.04 1.46 1.46 2bg5A1 LYS 340 HD2 0.03 0.04 -0.03 -0.04 1.69 1.69 2bg5A1 LYS 340 HD3 0.02 0.06 -0.12 -0.04 1.68 1.60 2bg5A1 LYS 340 HE2 0.03 -0.05 -0.06 -0.04 2.99 2.87 2bg5A1 LYS 340 HE3 0.04 0.00 -0.03 -0.04 2.99 2.97 2bg5A1 GLU 341 H 0.01 0.16 0.05 -0.55 8.60 8.27 2bg5A1 GLU 341 HA -0.00 0.10 0.42 -0.75 4.29 4.06 2bg5A1 GLU 341 HB2 0.02 -0.02 0.20 -0.04 2.09 2.25 2bg5A1 GLU 341 HB3 0.01 -0.02 0.04 -0.04 1.99 1.97 2bg5A1 GLU 341 HG2 0.01 0.09 -0.08 -0.04 2.34 2.32 2bg5A1 GLU 341 HG3 0.01 0.04 0.06 -0.04 2.34 2.41 2bg5A1 LEU 342 H -0.04 0.36 0.16 -0.55 8.37 8.30 2bg5A1 LEU 342 HA 0.01 0.24 0.87 -0.75 4.35 4.71 2bg5A1 LEU 342 HB2 -0.12 0.05 0.11 -0.04 1.64 1.65 2bg5A1 LEU 342 HB3 -0.37 -0.12 0.13 -0.04 1.64 1.24 2bg5A1 LEU 342 HG 0.09 0.19 -0.05 -0.04 1.64 1.84 2bg5A1 LEU 342 HD13 0.05 0.01 -0.38 -0.04 0.93 0.57 2bg5A1 LEU 342 HD23 0.02 -0.02 -0.10 -0.04 0.89 0.75 2bg5A1 PRO 343 HA -0.02 0.04 0.25 -0.51 4.44 4.21 2bg5A1 PRO 343 HB2 0.07 0.04 0.03 -0.04 2.28 2.38 2bg5A1 PRO 343 HB3 0.03 0.02 0.06 -0.04 2.02 2.08 2bg5A1 PRO 343 HG2 0.04 0.05 0.03 -0.04 2.03 2.11 2bg5A1 PRO 343 HG3 0.02 0.01 -0.02 -0.04 2.03 2.00 2bg5A1 PRO 343 HD2 0.08 0.15 0.14 -0.04 3.68 4.01 2bg5A1 PRO 343 HD3 0.02 0.41 -0.28 -0.04 3.65 3.76 2bg5A1 TYR 344 H 0.05 0.20 -0.28 -0.55 8.29 7.71 2bg5A1 TYR 344 HA 0.02 0.07 0.32 -0.75 4.56 4.22 2bg5A1 TYR 344 HB2 0.03 0.01 -0.04 -0.04 3.06 3.01 2bg5A1 TYR 344 HB3 0.02 0.02 -0.06 -0.04 2.98 2.92 2bg5A1 TYR 344 HD2 0.04 0.00 -0.14 -0.04 7.15 7.01 2bg5A1 TYR 344 HE2 0.09 0.10 -0.09 -0.04 6.85 6.90 2bg5A1 LEU 345 H -0.52 0.44 -0.26 -0.55 8.37 7.49 2bg5A1 LEU 345 HA -0.11 0.07 0.53 -0.75 4.35 4.09 2bg5A1 LEU 345 HB2 -0.30 0.22 0.10 -0.04 1.64 1.61 2bg5A1 LEU 345 HB3 -0.13 -0.03 0.04 -0.04 1.64 1.48 2bg5A1 LEU 345 HG -0.76 -0.01 -0.06 -0.04 1.64 0.77 2bg5A1 LEU 345 HD13 -0.16 -0.01 -0.03 -0.04 0.93 0.69 2bg5A1 LEU 345 HD23 -0.00 -0.00 -0.01 -0.04 0.89 0.83 2bg5A1 ASP 346 H -0.04 0.41 -0.53 -0.55 8.40 7.69 2bg5A1 ASP 346 HA -0.00 0.04 0.16 -0.75 4.63 4.08 2bg5A1 ASP 346 HB2 0.02 0.04 -0.09 -0.04 2.71 2.64 2bg5A1 ASP 346 HB3 0.02 0.09 -0.07 -0.04 2.70 2.70 2bg5A1 PRO 348 HA -0.03 -0.09 0.05 -0.51 4.44 3.86 2bg5A1 PRO 348 HB2 -0.06 0.04 -0.09 -0.04 2.28 2.12 2bg5A1 PRO 348 HB3 -0.12 0.01 0.13 -0.04 2.02 2.00 2bg5A1 PRO 348 HG2 0.01 -0.10 -0.02 -0.04 2.03 1.89 2bg5A1 PRO 348 HG3 -0.24 -0.01 0.03 -0.04 2.03 1.77 2bg5A1 PRO 348 HD2 0.17 -0.05 0.01 -0.04 3.68 3.77 2bg5A1 PRO 348 HD3 0.03 0.09 -0.27 -0.04 3.65 3.46 2bg5A1 LYS 349 H -0.01 0.09 0.05 -0.55 8.42 8.00 2bg5A1 LYS 349 HA 0.01 0.08 0.53 -0.75 4.32 4.18 2bg5A1 LYS 349 HB2 0.00 0.03 0.05 -0.04 1.87 1.91 2bg5A1 LYS 349 HB3 -0.00 -0.01 0.09 -0.04 1.79 1.83 2bg5A1 LYS 349 HG2 -0.01 -0.04 0.17 -0.04 1.46 1.54 2bg5A1 LYS 349 HG3 -0.01 0.02 -0.07 -0.04 1.46 1.36 2bg5A1 LYS 349 HD2 -0.00 0.01 0.01 -0.04 1.69 1.66 2bg5A1 LYS 349 HD3 -0.01 -0.00 0.03 -0.04 1.68 1.66 2bg5A1 LYS 349 HE2 -0.01 -0.00 0.01 -0.04 2.99 2.95 2bg5A1 LYS 349 HE3 -0.01 -0.00 0.02 -0.04 2.99 2.96 2bg5A1 GLU 350 H 0.02 0.19 0.08 -0.55 8.60 8.34 2bg5A1 GLU 350 HA 0.01 0.26 0.81 -0.75 4.29 4.62 2bg5A1 GLU 350 HB2 0.04 -0.08 -0.16 -0.04 2.09 1.84 2bg5A1 GLU 350 HB3 0.03 0.08 -0.15 -0.04 1.99 1.91 2bg5A1 GLU 350 HG2 0.01 0.04 -0.28 -0.04 2.34 2.07 2bg5A1 GLU 350 HG3 0.02 0.28 -0.47 -0.04 2.34 2.14 2bg5A1 ASN 352 HA 0.06 0.01 0.32 -0.75 4.76 4.40 2bg5A1 ASN 352 HB2 0.05 0.03 0.11 -0.04 2.88 3.03 2bg5A1 ASN 352 HB3 0.09 -0.06 0.05 -0.04 2.79 2.83 2bg5A1 ASN 352 HD21 0.02 0.02 0.01 -0.04 7.03 7.04 2bg5A1 ASN 352 HD22 0.02 -0.01 0.03 -0.04 7.74 7.75 2bg5A1 PRO 353 HA 0.07 0.04 0.29 -0.51 4.44 4.33 2bg5A1 PRO 353 HB2 0.09 -0.11 -0.09 -0.04 2.28 2.13 2bg5A1 PRO 353 HB3 0.06 0.04 -0.03 -0.04 2.02 2.05 2bg5A1 PRO 353 HG2 0.07 0.01 0.02 -0.04 2.03 2.08 2bg5A1 PRO 353 HG3 0.04 0.12 -0.03 -0.04 2.03 2.13 2bg5A1 PRO 353 HD2 0.06 0.09 0.18 -0.04 3.68 3.96 2bg5A1 PRO 353 HD3 0.04 0.39 -0.44 -0.04 3.65 3.60 2bg5A1 PHE 354 H 0.24 0.16 -0.37 -0.55 8.34 7.82 2bg5A1 PHE 354 HA 0.08 0.04 0.31 -0.75 4.62 4.30 2bg5A1 PHE 354 HB2 0.03 -0.04 0.01 -0.04 3.15 3.11 2bg5A1 PHE 354 HB3 0.08 0.06 -0.08 -0.04 3.06 3.09 2bg5A1 PHE 354 HD2 -0.01 -0.01 -0.08 -0.04 7.28 7.14 2bg5A1 PHE 354 HE2 -0.45 0.02 -0.02 -0.04 7.38 6.89 2bg5A1 PHE 354 HZ -0.34 -0.03 0.04 -0.04 7.32 6.95 2bg5A1 LEU 355 H 0.14 0.37 -0.52 -0.55 8.37 7.81 2bg5A1 LEU 355 HA -0.04 0.15 0.77 -0.75 4.35 4.47 2bg5A1 LEU 355 HB2 0.06 0.15 0.06 -0.04 1.64 1.87 2bg5A1 LEU 355 HB3 0.01 -0.04 0.17 -0.04 1.64 1.74 2bg5A1 LEU 355 HG 0.20 -0.13 -0.18 -0.04 1.64 1.49 2bg5A1 LEU 355 HD13 0.07 0.00 -0.01 -0.04 0.93 0.95 2bg5A1 LEU 355 HD23 0.10 0.03 -0.05 -0.04 0.89 0.92 2bg5A1 GLY 356 H 0.03 0.35 -0.45 -0.55 8.43 7.81 2bg5A1 GLY 356 HA2 0.03 0.20 0.61 -0.51 4.01 4.34 2bg5A1 GLY 356 HA3 0.05 -0.10 0.21 -0.51 4.01 3.67 2bg5A1 TYR 357 H 0.14 0.15 0.04 -0.55 8.29 8.07 2bg5A1 TYR 357 HA -0.06 0.07 0.37 -0.75 4.56 4.19 2bg5A1 TYR 357 HB2 -0.04 0.00 0.06 -0.04 3.06 3.04 2bg5A1 TYR 357 HB3 -0.03 0.01 0.21 -0.04 2.98 3.12 2bg5A1 TYR 357 HD2 -0.05 -0.00 -0.05 -0.04 7.15 7.01 2bg5A1 TYR 357 HE2 -0.05 0.05 -0.06 -0.04 6.85 6.76 2bg5A1 ARG 358 H -0.16 0.40 0.25 -0.55 8.46 8.39 2bg5A1 ARG 358 HA -0.18 0.27 1.04 -0.75 4.34 4.72 2bg5A1 ARG 358 HB2 -0.06 -0.03 -0.29 -0.04 1.90 1.48 2bg5A1 ARG 358 HB3 -0.03 -0.06 -0.35 -0.04 1.80 1.32 2bg5A1 ARG 358 HG2 -0.10 0.13 -0.14 -0.04 1.67 1.53 2bg5A1 ARG 358 HG3 -0.10 -0.05 -0.39 -0.04 1.67 1.09 2bg5A1 ARG 358 HD2 -0.00 0.17 -0.12 -0.04 3.22 3.22 2bg5A1 ARG 358 HD3 -0.11 0.18 -0.16 -0.04 3.22 3.09 2bg5A1 ALA 359 H -0.16 0.68 0.25 -0.55 8.40 8.62 2bg5A1 ALA 359 HA -0.15 0.13 0.46 -0.75 4.34 4.02 2bg5A1 ALA 359 HB3 -0.09 0.05 0.05 -0.04 1.41 1.38 2bg5A1 ILE 360 H -0.15 0.28 0.25 -0.55 8.25 8.08 2bg5A1 ILE 360 HA -0.38 0.01 0.42 -0.75 4.18 3.47 2bg5A1 ILE 360 HB -0.14 0.34 0.25 -0.04 1.89 2.30 2bg5A1 ILE 360 HG12 -0.26 0.04 0.02 -0.04 1.49 1.26 2bg5A1 ILE 360 HG13 -0.34 -0.12 0.05 -0.04 1.21 0.77 2bg5A1 ILE 360 HG23 -0.15 -0.04 0.01 -0.04 0.93 0.71 2bg5A1 ILE 360 HD13 -0.51 -0.01 0.05 -0.04 0.88 0.37 2bg5A1 ARG 361 H -0.22 0.42 -0.21 -0.55 8.46 7.89 2bg5A1 ARG 361 HA -0.19 0.04 0.38 -0.75 4.34 3.82 2bg5A1 ARG 361 HB2 -0.24 -0.06 0.10 -0.04 1.90 1.66 2bg5A1 ARG 361 HB3 -0.12 -0.01 0.02 -0.04 1.80 1.65 2bg5A1 ARG 361 HG2 -0.12 -0.06 0.02 -0.04 1.67 1.47 2bg5A1 ARG 361 HG3 -0.15 0.02 0.10 -0.04 1.67 1.59 2bg5A1 ARG 361 HD2 -0.10 0.23 0.15 -0.04 3.22 3.46 2bg5A1 ARG 361 HD3 -0.05 -0.05 0.00 -0.04 3.22 3.08 2bg5A1 LEU 362 H -0.40 0.27 -0.57 -0.55 8.37 7.13 2bg5A1 LEU 362 HA -0.97 0.09 0.35 -0.75 4.35 3.06 2bg5A1 LEU 362 HB2 -0.63 0.05 -0.16 -0.04 1.64 0.85 2bg5A1 LEU 362 HB3 -0.36 0.12 -0.06 -0.04 1.64 1.30 2bg5A1 LEU 362 HG -0.21 -0.03 -0.38 -0.04 1.64 0.98 2bg5A1 LEU 362 HD13 -0.14 0.01 -0.04 -0.04 0.93 0.73 2bg5A1 LEU 362 HD23 -0.19 -0.00 -0.05 -0.04 0.89 0.60 2bg5A1 CYS 363 H -0.37 0.45 -0.29 -0.55 8.50 7.75 2bg5A1 CYS 363 HA -0.21 0.04 0.31 -0.75 4.58 3.96 2bg5A1 CYS 363 HB2 -0.80 0.10 0.11 -0.04 2.97 2.35 2bg5A1 CYS 363 HB3 -1.54 -0.05 -0.04 -0.04 2.97 1.30 2bg5A1 LEU 364 H -0.34 0.63 -0.12 -0.55 8.37 7.99 2bg5A1 LEU 364 HA -0.12 0.03 0.46 -0.75 4.35 3.96 2bg5A1 LEU 364 HB2 -0.16 0.06 0.10 -0.04 1.64 1.61 2bg5A1 LEU 364 HB3 -0.09 -0.05 0.01 -0.04 1.64 1.47 2bg5A1 LEU 364 HG -0.34 0.16 0.08 -0.04 1.64 1.50 2bg5A1 LEU 364 HD13 -0.15 -0.02 0.00 -0.04 0.93 0.73 2bg5A1 LEU 364 HD23 -0.11 -0.02 -0.09 -0.04 0.89 0.63 2bg5A1 ASP 365 H -0.12 0.31 -0.47 -0.55 8.40 7.57 2bg5A1 ASP 365 HA 0.02 0.09 0.64 -0.75 4.63 4.63 2bg5A1 ASP 365 HB2 0.14 0.01 0.08 -0.04 2.71 2.90 2bg5A1 ASP 365 HB3 0.17 0.07 0.07 -0.04 2.70 2.97 2bg5A1 ARG 366 H -0.05 0.28 -0.49 -0.55 8.46 7.66 2bg5A1 ARG 366 HA 0.04 0.15 0.84 -0.75 4.34 4.62 2bg5A1 ARG 366 HB2 -0.00 0.09 0.20 -0.04 1.90 2.14 2bg5A1 ARG 366 HB3 0.05 -0.21 0.19 -0.04 1.80 1.79 2bg5A1 ARG 366 HG2 0.06 -0.03 0.02 -0.04 1.67 1.68 2bg5A1 ARG 366 HG3 0.09 0.04 -0.42 -0.04 1.67 1.34 2bg5A1 ARG 366 HD2 -0.00 0.04 -0.03 -0.04 3.22 3.19 2bg5A1 ARG 366 HD3 0.05 -0.06 0.01 -0.04 3.22 3.17 2bg5A1 PRO 367 HA 0.19 0.15 0.42 -0.51 4.44 4.69 2bg5A1 PRO 367 HB2 0.06 -0.03 0.02 -0.04 2.28 2.30 2bg5A1 PRO 367 HB3 0.08 0.11 0.12 -0.04 2.02 2.29 2bg5A1 PRO 367 HG2 0.04 -0.06 0.03 -0.04 2.03 2.00 2bg5A1 PRO 367 HG3 0.03 0.08 0.04 -0.04 2.03 2.14 2bg5A1 PRO 367 HD2 0.04 0.13 -0.04 -0.04 3.68 3.77 2bg5A1 PRO 367 HD3 0.03 0.38 -0.31 -0.04 3.65 3.71 2bg5A1 ASP 368 H 0.06 0.15 -0.34 -0.55 8.40 7.72 2bg5A1 ASP 368 HA 0.05 0.07 0.44 -0.75 4.63 4.44 2bg5A1 ASP 368 HB2 0.05 0.01 -0.02 -0.04 2.71 2.70 2bg5A1 ASP 368 HB3 0.04 0.03 0.07 -0.04 2.70 2.80 2bg5A1 ILE 369 H 0.09 0.31 -0.11 -0.55 8.25 8.00 2bg5A1 ILE 369 HA 0.13 0.04 0.47 -0.75 4.18 4.06 2bg5A1 ILE 369 HB 0.08 0.22 0.16 -0.04 1.89 2.32 2bg5A1 ILE 369 HG12 0.14 -0.02 0.02 -0.04 1.49 1.59 2bg5A1 ILE 369 HG13 0.09 -0.11 0.03 -0.04 1.21 1.18 2bg5A1 ILE 369 HG23 0.16 -0.01 -0.12 -0.04 0.93 0.92 2bg5A1 ILE 369 HD13 0.08 0.02 0.02 -0.04 0.88 0.96 2bg5A1 PHE 370 H 0.22 0.39 -0.13 -0.55 8.34 8.27 2bg5A1 PHE 370 HA 0.03 -0.02 0.38 -0.75 4.62 4.25 2bg5A1 PHE 370 HB2 -0.03 0.14 0.11 -0.04 3.15 3.34 2bg5A1 PHE 370 HB3 -0.01 0.08 0.15 -0.04 3.06 3.24 2bg5A1 PHE 370 HD2 -0.03 -0.01 -0.00 -0.04 7.28 7.20 2bg5A1 PHE 370 HE2 -0.05 -0.02 0.02 -0.04 7.38 7.29 2bg5A1 PHE 370 HZ -0.24 0.06 -0.01 -0.04 7.32 7.09 2bg5A1 LYS 371 H 0.09 0.86 -0.01 -0.55 8.42 8.81 2bg5A1 LYS 371 HA -0.15 0.01 0.41 -0.75 4.32 3.84 2bg5A1 LYS 371 HB2 0.01 0.07 0.14 -0.04 1.87 2.05 2bg5A1 LYS 371 HB3 -0.03 -0.06 0.00 -0.04 1.79 1.66 2bg5A1 LYS 371 HG2 -0.06 -0.01 0.03 -0.04 1.46 1.39 2bg5A1 LYS 371 HG3 0.01 0.16 0.11 -0.04 1.46 1.70 2bg5A1 LYS 371 HD2 0.00 -0.02 -0.04 -0.04 1.69 1.59 2bg5A1 LYS 371 HD3 0.02 -0.04 -0.12 -0.04 1.68 1.50 2bg5A1 LYS 371 HE2 -0.01 -0.01 -0.03 -0.04 2.99 2.89 2bg5A1 LYS 371 HE3 -0.03 0.01 -0.05 -0.04 2.99 2.88 2bg5A1 THR 372 H 0.05 0.49 -0.21 -0.55 8.28 8.06 2bg5A1 THR 372 HA 0.02 -0.02 0.43 -0.75 4.39 4.06 2bg5A1 THR 372 HB 0.09 0.20 0.13 -0.04 4.32 4.69 2bg5A1 THR 372 HG23 0.02 -0.02 -0.08 -0.04 1.22 1.10 2bg5A1 GLN 373 H 0.11 0.47 -0.20 -0.55 8.47 8.31 2bg5A1 GLN 373 HA 0.18 0.01 0.51 -0.75 4.36 4.31 2bg5A1 GLN 373 HB2 0.27 0.00 0.09 -0.04 2.15 2.48 2bg5A1 GLN 373 HB3 0.20 0.12 0.15 -0.04 2.02 2.45 2bg5A1 GLN 373 HG2 0.11 0.04 -0.23 -0.04 2.40 2.28 2bg5A1 GLN 373 HG3 0.28 -0.03 0.02 -0.04 2.39 2.62 2bg5A1 GLN 373 HE21 0.18 -0.06 -0.01 -0.04 6.97 7.05 2bg5A1 GLN 373 HE22 0.27 0.04 -0.05 -0.04 7.69 7.91 2bg5A1 LEU 374 H -0.09 0.61 -0.01 -0.55 8.37 8.34 2bg5A1 LEU 374 HA -0.07 0.04 0.41 -0.75 4.35 3.97 2bg5A1 LEU 374 HB2 -0.22 0.05 0.11 -0.04 1.64 1.54 2bg5A1 LEU 374 HB3 -0.19 -0.01 0.02 -0.04 1.64 1.43 2bg5A1 LEU 374 HG -0.68 0.18 0.02 -0.04 1.64 1.12 2bg5A1 LEU 374 HD13 -0.87 -0.02 -0.13 -0.04 0.93 -0.13 2bg5A1 LEU 374 HD23 -0.13 -0.00 -0.03 -0.04 0.89 0.69 2bg5A1 ARG 375 H -0.03 0.65 -0.17 -0.55 8.46 8.36 2bg5A1 ARG 375 HA -0.05 0.04 0.43 -0.75 4.34 4.01 2bg5A1 ARG 375 HB2 -0.00 0.10 0.15 -0.04 1.90 2.10 2bg5A1 ARG 375 HB3 -0.02 -0.06 -0.01 -0.04 1.80 1.67 2bg5A1 ARG 375 HG2 -0.06 -0.01 0.02 -0.04 1.67 1.58 2bg5A1 ARG 375 HG3 -0.06 0.16 0.06 -0.04 1.67 1.79 2bg5A1 ARG 375 HD2 -0.03 -0.03 -0.03 -0.04 3.22 3.08 2bg5A1 ARG 375 HD3 -0.02 -0.03 -0.09 -0.04 3.22 3.04 2bg5A1 ALA 376 H 0.10 0.44 -0.19 -0.55 8.40 8.21 2bg5A1 ALA 376 HA 0.20 0.02 0.54 -0.75 4.34 4.35 2bg5A1 ALA 376 HB3 0.24 0.01 0.07 -0.04 1.41 1.69 2bg5A1 ILE 377 H 0.14 0.49 -0.22 -0.55 8.25 8.11 2bg5A1 ILE 377 HA 0.08 0.03 0.35 -0.75 4.18 3.88 2bg5A1 ILE 377 HB -0.03 0.06 0.13 -0.04 1.89 2.01 2bg5A1 ILE 377 HG12 -0.65 -0.03 -0.06 -0.04 1.49 0.71 2bg5A1 ILE 377 HG13 -0.17 0.09 0.00 -0.04 1.21 1.09 2bg5A1 ILE 377 HG23 -0.05 0.01 -0.24 -0.04 0.93 0.61 2bg5A1 ILE 377 HD13 -0.13 -0.01 -0.14 -0.04 0.88 0.56 2bg5A1 LEU 378 H 0.03 0.71 -0.04 -0.55 8.37 8.52 2bg5A1 LEU 378 HA 0.07 0.02 0.37 -0.75 4.35 4.05 2bg5A1 LEU 378 HB2 -0.06 0.04 0.13 -0.04 1.64 1.71 2bg5A1 LEU 378 HB3 -0.09 -0.03 -0.06 -0.04 1.64 1.42 2bg5A1 LEU 378 HG -0.10 0.06 0.04 -0.04 1.64 1.60 2bg5A1 LEU 378 HD13 -0.33 -0.02 -0.14 -0.04 0.93 0.41 2bg5A1 LEU 378 HD23 -0.12 -0.01 -0.05 -0.04 0.89 0.68 2bg5A1 ARG 379 H 0.12 0.59 -0.21 -0.55 8.46 8.41 2bg5A1 ARG 379 HA 0.16 0.20 0.47 -0.75 4.34 4.41 2bg5A1 ARG 379 HB2 0.12 0.08 0.17 -0.04 1.90 2.22 2bg5A1 ARG 379 HB3 -0.17 -0.08 0.00 -0.04 1.80 1.51 2bg5A1 ARG 379 HG2 -0.05 0.00 0.01 -0.04 1.67 1.60 2bg5A1 ARG 379 HG3 -0.01 0.06 0.04 -0.04 1.67 1.72 2bg5A1 ARG 379 HD2 -0.12 -0.06 -0.05 -0.04 3.22 2.94 2bg5A1 ARG 379 HD3 -0.15 -0.03 -0.10 -0.04 3.22 2.90 2bg5A1 ALA 380 H 0.38 0.44 -0.33 -0.55 8.40 8.35 2bg5A1 ALA 380 HA 0.55 -0.00 0.43 -0.75 4.34 4.56 2bg5A1 ALA 380 HB3 0.27 0.02 -0.00 -0.04 1.41 1.66 2bg5A1 SER 381 H 0.20 0.44 -0.32 -0.55 8.46 8.22 2bg5A1 SER 381 HA 0.13 0.04 0.29 -0.75 4.49 4.19 2bg5A1 SER 381 HB2 0.09 -0.02 0.21 -0.04 3.95 4.19 2bg5A1 SER 381 HB3 0.10 0.04 0.09 -0.04 3.93 4.12 2bg5A1 ALA 382 H 0.14 0.43 -0.64 -0.55 8.40 7.77 2bg5A1 ALA 382 HA -0.09 0.00 0.38 -0.75 4.34 3.87 2bg5A1 ALA 382 HB3 -0.30 0.02 -0.09 -0.04 1.41 1.01 2bg5A1 TYR 383 H 0.19 0.50 -0.37 -0.55 8.29 8.07 2bg5A1 TYR 383 HA 0.05 0.13 0.71 -0.75 4.56 4.70 2bg5A1 TYR 383 HB2 0.07 0.09 0.06 -0.04 3.06 3.24 2bg5A1 TYR 383 HB3 0.05 -0.04 0.12 -0.04 2.98 3.07 2bg5A1 TYR 383 HD2 0.14 0.07 0.03 -0.04 7.15 7.34 2bg5A1 TYR 383 HE2 0.22 0.00 -0.03 -0.04 6.85 7.00 2bg5A1 GLY 384 H 0.07 0.42 -0.25 -0.55 8.43 8.12 2bg5A1 GLY 384 HA2 0.06 0.04 0.33 -0.51 4.01 3.92 2bg5A1 GLY 384 HA3 0.08 0.11 0.29 -0.51 4.01 3.99 2bg5A1 ASN 385 H 0.04 0.30 -0.01 -0.55 8.53 8.32 2bg5A1 ASN 385 HA 0.03 0.08 0.59 -0.75 4.76 4.71 2bg5A1 ASN 385 HB2 0.01 0.07 -0.06 -0.04 2.88 2.86 2bg5A1 ASN 385 HB3 0.01 0.13 -0.33 -0.04 2.79 2.56 2bg5A1 ASN 385 HD21 -0.03 -0.07 -0.01 -0.04 7.03 6.87 2bg5A1 ASN 385 HD22 -0.02 0.46 0.06 -0.04 7.74 8.20 2bg5A1 VAL 386 H 0.05 0.24 0.17 -0.55 8.24 8.15 2bg5A1 VAL 386 HA 0.05 0.28 0.97 -0.75 4.13 4.68 2bg5A1 VAL 386 HB 0.07 -0.07 0.05 -0.04 2.12 2.13 2bg5A1 VAL 386 HG13 0.04 0.01 -0.12 -0.04 0.97 0.86 2bg5A1 VAL 386 HG23 0.10 -0.00 -0.37 -0.04 0.95 0.64 2bg5A1 GLN 387 H 0.04 0.71 0.41 -0.55 8.47 9.09 2bg5A1 GLN 387 HA 0.10 0.25 0.87 -0.75 4.36 4.82 2bg5A1 GLN 387 HB2 -0.00 -0.07 -0.07 -0.04 2.15 1.97 2bg5A1 GLN 387 HB3 0.16 0.02 -0.08 -0.04 2.02 2.08 2bg5A1 GLN 387 HG2 0.08 -0.02 -0.07 -0.04 2.40 2.35 2bg5A1 GLN 387 HG3 0.01 -0.06 -0.45 -0.04 2.39 1.85 2bg5A1 GLN 387 HE21 -0.10 0.03 -0.14 -0.04 6.97 6.72 2bg5A1 GLN 387 HE22 0.02 0.00 -0.13 -0.04 7.69 7.55 2bg5A1 ILE 388 H 0.09 0.77 0.33 -0.55 8.25 8.89 2bg5A1 ILE 388 HA -0.03 0.29 0.82 -0.75 4.18 4.51 2bg5A1 ILE 388 HB -0.15 0.03 0.12 -0.04 1.89 1.85 2bg5A1 ILE 388 HG12 -0.07 -0.00 -0.08 -0.04 1.49 1.30 2bg5A1 ILE 388 HG13 -0.03 0.02 -0.29 -0.04 1.21 0.87 2bg5A1 ILE 388 HG23 -0.33 0.01 -0.01 -0.04 0.93 0.55 2bg5A1 ILE 388 HD13 -0.05 -0.02 -0.08 -0.04 0.88 0.69 2bg5A1 TYR 390 HA 0.03 -0.16 0.31 -0.75 4.56 3.98 2bg5A1 TYR 390 HB2 -0.04 -0.03 0.04 -0.04 3.06 2.99 2bg5A1 TYR 390 HB3 -0.02 -0.03 0.00 -0.04 2.98 2.89 2bg5A1 TYR 390 HD2 0.07 -0.04 -0.00 -0.04 7.15 7.14 2bg5A1 TYR 390 HE2 0.05 0.01 -0.05 -0.04 6.85 6.82 2bg5A1 PRO 391 HA 0.05 0.29 0.73 -0.51 4.44 5.00 2bg5A1 PRO 391 HB2 0.01 -0.04 0.12 -0.04 2.28 2.34 2bg5A1 PRO 391 HB3 0.04 0.08 0.04 -0.04 2.02 2.14 2bg5A1 PRO 391 HG2 -0.04 -0.23 0.15 -0.04 2.03 1.87 2bg5A1 PRO 391 HG3 0.01 0.22 -0.11 -0.04 2.03 2.11 2bg5A1 PRO 391 HD2 0.08 0.01 0.14 -0.04 3.68 3.86 2bg5A1 PRO 391 HD3 0.11 0.12 0.11 -0.04 3.65 3.95 2bg5A1 ILE 393 HA -0.06 -0.13 0.46 -0.75 4.18 3.70 2bg5A1 ILE 393 HB 0.02 0.04 -0.02 -0.04 1.89 1.89 2bg5A1 ILE 393 HG12 0.02 0.09 -1.18 -0.04 1.49 0.39 2bg5A1 ILE 393 HG13 0.08 0.16 -0.21 -0.04 1.21 1.20 2bg5A1 ILE 393 HG23 -0.00 -0.02 -0.23 -0.04 0.93 0.64 2bg5A1 ILE 393 HD13 -0.05 -0.04 -0.11 -0.04 0.88 0.64 2bg5A1 SER 394 H -0.07 0.05 0.18 -0.55 8.46 8.07 2bg5A1 SER 394 HA -0.07 0.14 0.85 -0.75 4.49 4.66 2bg5A1 SER 394 HB2 -0.09 -0.02 0.10 -0.04 3.95 3.90 2bg5A1 SER 394 HB3 -0.11 0.05 0.03 -0.04 3.93 3.86 2bg5A1 SER 395 H -0.04 0.11 0.09 -0.55 8.46 8.07 2bg5A1 SER 395 HA -0.02 0.26 0.69 -0.75 4.49 4.67 2bg5A1 SER 395 HB2 -0.03 0.04 0.07 -0.04 3.95 4.00 2bg5A1 SER 395 HB3 -0.04 0.11 -0.41 -0.04 3.93 3.55 2bg5A1 VAL 396 H -0.01 0.25 0.11 -0.55 8.24 8.04 2bg5A1 VAL 396 HA -0.01 0.16 0.41 -0.75 4.13 3.94 2bg5A1 VAL 396 HB 0.00 0.06 -0.03 -0.04 2.12 2.11 2bg5A1 VAL 396 HG13 -0.01 0.00 -0.10 -0.04 0.97 0.82 2bg5A1 VAL 396 HG23 -0.01 0.04 0.00 -0.04 0.95 0.95 2bg5A1 GLU 397 H -0.02 0.06 -0.26 -0.55 8.60 7.83 2bg5A1 GLU 397 HA -0.02 0.13 0.47 -0.75 4.29 4.12 2bg5A1 GLU 397 HB2 -0.03 -0.03 0.00 -0.04 2.09 1.99 2bg5A1 GLU 397 HB3 -0.03 0.05 0.01 -0.04 1.99 1.98 2bg5A1 GLU 397 HG2 -0.02 0.05 0.01 -0.04 2.34 2.33 2bg5A1 GLU 397 HG3 -0.02 0.04 -0.00 -0.04 2.34 2.32 2bg5A1 GLU 398 H -0.04 0.18 -0.24 -0.55 8.60 7.95 2bg5A1 GLU 398 HA -0.08 0.08 0.58 -0.75 4.29 4.12 2bg5A1 GLU 398 HB2 -0.07 0.06 0.13 -0.04 2.09 2.17 2bg5A1 GLU 398 HB3 -0.11 0.06 0.04 -0.04 1.99 1.93 2bg5A1 GLU 398 HG2 -0.08 0.06 0.02 -0.04 2.34 2.30 2bg5A1 GLU 398 HG3 -0.06 -0.08 0.01 -0.04 2.34 2.17 2bg5A1 VAL 399 H -0.04 0.27 -0.13 -0.55 8.24 7.78 2bg5A1 VAL 399 HA -0.06 0.08 0.44 -0.75 4.13 3.83 2bg5A1 VAL 399 HB -0.01 0.11 0.11 -0.04 2.12 2.28 2bg5A1 VAL 399 HG13 0.05 0.04 -0.09 -0.04 0.97 0.92 2bg5A1 VAL 399 HG23 0.01 0.02 -0.04 -0.04 0.95 0.90 2bg5A1 ARG 400 H -0.03 0.38 -0.23 -0.55 8.46 8.03 2bg5A1 ARG 400 HA -0.01 0.09 0.44 -0.75 4.34 4.11 2bg5A1 ARG 400 HB2 -0.02 0.06 0.16 -0.04 1.90 2.07 2bg5A1 ARG 400 HB3 -0.02 -0.05 0.01 -0.04 1.80 1.71 2bg5A1 ARG 400 HG2 -0.01 0.03 0.02 -0.04 1.67 1.67 2bg5A1 ARG 400 HG3 -0.02 0.19 0.07 -0.04 1.67 1.87 2bg5A1 ARG 400 HD2 -0.01 -0.09 -0.03 -0.04 3.22 3.04 2bg5A1 ARG 400 HD3 -0.01 -0.03 -0.01 -0.04 3.22 3.13 2bg5A1 LYS 401 H -0.05 0.40 -0.15 -0.55 8.42 8.07 2bg5A1 LYS 401 HA -0.03 0.00 0.47 -0.75 4.32 4.01 2bg5A1 LYS 401 HB2 -0.07 0.06 0.21 -0.04 1.87 2.03 2bg5A1 LYS 401 HB3 -0.04 -0.02 0.04 -0.04 1.79 1.73 2bg5A1 LYS 401 HG2 -0.04 -0.03 0.03 -0.04 1.46 1.38 2bg5A1 LYS 401 HG3 -0.03 -0.04 0.04 -0.04 1.46 1.39 2bg5A1 LYS 401 HD2 -0.02 -0.02 -0.16 -0.04 1.69 1.45 2bg5A1 LYS 401 HD3 -0.03 0.11 0.13 -0.04 1.68 1.84 2bg5A1 LYS 401 HE2 -0.02 -0.04 -0.00 -0.04 2.99 2.88 2bg5A1 LYS 401 HE3 -0.02 -0.02 -0.03 -0.04 2.99 2.88 2bg5A1 ALA 402 H -0.13 0.66 -0.04 -0.55 8.40 8.35 2bg5A1 ALA 402 HA 0.08 -0.03 0.49 -0.75 4.34 4.12 2bg5A1 ALA 402 HB3 -0.61 0.02 0.11 -0.04 1.41 0.88 2bg5A1 ASN 403 H -0.03 0.70 -0.11 -0.55 8.53 8.54 2bg5A1 ASN 403 HA 0.07 -0.01 0.49 -0.75 4.76 4.57 2bg5A1 ASN 403 HB2 0.02 0.11 0.17 -0.04 2.88 3.13 2bg5A1 ASN 403 HB3 0.03 -0.06 0.03 -0.04 2.79 2.75 2bg5A1 ASN 403 HD21 0.06 0.10 0.04 -0.04 7.03 7.18 2bg5A1 ASN 403 HD22 0.03 -0.03 0.01 -0.04 7.74 7.70 2bg5A1 SER 404 H -0.01 0.59 -0.16 -0.55 8.46 8.34 2bg5A1 SER 404 HA -0.01 0.01 0.55 -0.75 4.49 4.29 2bg5A1 SER 404 HB2 -0.01 -0.09 0.10 -0.04 3.95 3.91 2bg5A1 SER 404 HB3 -0.01 0.07 0.14 -0.04 3.93 4.10 2bg5A1 ILE 405 H -0.00 0.47 -0.19 -0.55 8.25 7.97 2bg5A1 ILE 405 HA -0.02 -0.01 0.52 -0.75 4.18 3.91 2bg5A1 ILE 405 HB 0.00 0.17 0.17 -0.04 1.89 2.20 2bg5A1 ILE 405 HG12 0.04 -0.07 0.05 -0.04 1.49 1.46 2bg5A1 ILE 405 HG13 0.04 0.23 0.12 -0.04 1.21 1.55 2bg5A1 ILE 405 HG23 -0.03 -0.03 -0.04 -0.04 0.93 0.78 2bg5A1 ILE 405 HD13 0.19 -0.02 0.01 -0.04 0.88 1.02 2bg5A1 LEU 406 H -0.06 0.61 -0.00 -0.55 8.37 8.37 2bg5A1 LEU 406 HA -0.15 -0.04 0.43 -0.75 4.35 3.84 2bg5A1 LEU 406 HB2 -0.00 0.01 0.09 -0.04 1.64 1.70 2bg5A1 LEU 406 HB3 0.00 0.14 0.19 -0.04 1.64 1.93 2bg5A1 LEU 406 HG -0.07 -0.03 -0.22 -0.04 1.64 1.28 2bg5A1 LEU 406 HD13 -0.10 -0.02 0.01 -0.04 0.93 0.78 2bg5A1 LEU 406 HD23 0.02 0.02 -0.05 -0.04 0.89 0.84 2bg5A1 GLU 407 H -0.03 0.69 -0.20 -0.55 8.60 8.52 2bg5A1 GLU 407 HA -0.05 0.04 0.48 -0.75 4.29 4.01 2bg5A1 GLU 407 HB2 -0.01 0.07 0.15 -0.04 2.09 2.25 2bg5A1 GLU 407 HB3 -0.01 -0.08 0.05 -0.04 1.99 1.91 2bg5A1 GLU 407 HG2 -0.00 0.24 0.05 -0.04 2.34 2.58 2bg5A1 GLU 407 HG3 0.00 -0.05 -0.01 -0.04 2.34 2.24 2bg5A1 GLU 408 H -0.04 0.53 -0.15 -0.55 8.60 8.39 2bg5A1 GLU 408 HA -0.03 -0.02 0.48 -0.75 4.29 3.97 2bg5A1 GLU 408 HB2 -0.02 -0.01 0.14 -0.04 2.09 2.16 2bg5A1 GLU 408 HB3 -0.04 0.16 0.26 -0.04 1.99 2.33 2bg5A1 GLU 408 HG2 -0.03 -0.01 -0.24 -0.04 2.34 2.02 2bg5A1 GLU 408 HG3 -0.02 -0.06 0.01 -0.04 2.34 2.23 2bg5A1 VAL 409 H -0.09 0.59 -0.12 -0.55 8.24 8.08 2bg5A1 VAL 409 HA -0.08 -0.05 0.49 -0.75 4.13 3.74 2bg5A1 VAL 409 HB -0.14 0.15 0.13 -0.04 2.12 2.21 2bg5A1 VAL 409 HG13 -0.12 -0.02 -0.17 -0.04 0.97 0.61 2bg5A1 VAL 409 HG23 -0.11 0.02 0.06 -0.04 0.95 0.88 2bg5A1 LYS 410 H -0.16 0.66 -0.10 -0.55 8.42 8.27 2bg5A1 LYS 410 HA -0.53 0.00 0.40 -0.75 4.32 3.44 2bg5A1 LYS 410 HB2 -0.09 0.11 0.16 -0.04 1.87 2.01 2bg5A1 LYS 410 HB3 -0.09 -0.05 0.01 -0.04 1.79 1.62 2bg5A1 LYS 410 HG2 -0.72 -0.06 -0.01 -0.04 1.46 0.63 2bg5A1 LYS 410 HG3 -0.23 0.22 0.04 -0.04 1.46 1.45 2bg5A1 LYS 410 HD2 -0.02 -0.03 -0.02 -0.04 1.69 1.58 2bg5A1 LYS 410 HD3 0.11 -0.02 -0.02 -0.04 1.68 1.70 2bg5A1 LYS 410 HE2 0.01 0.00 -0.06 -0.04 2.99 2.90 2bg5A1 LYS 410 HE3 -0.05 -0.03 -0.09 -0.04 2.99 2.77 2bg5A1 ALA 411 H -0.05 0.54 -0.29 -0.55 8.40 8.05 2bg5A1 ALA 411 HA 0.03 0.02 0.45 -0.75 4.34 4.09 2bg5A1 ALA 411 HB3 -0.00 0.02 0.10 -0.04 1.41 1.49 2bg5A1 GLU 412 H -0.03 0.44 -0.09 -0.55 8.60 8.38 2bg5A1 GLU 412 HA -0.01 -0.00 0.51 -0.75 4.29 4.04 2bg5A1 GLU 412 HB2 -0.03 0.10 0.16 -0.04 2.09 2.27 2bg5A1 GLU 412 HB3 -0.02 -0.07 0.03 -0.04 1.99 1.89 2bg5A1 GLU 412 HG2 -0.01 -0.06 0.03 -0.04 2.34 2.26 2bg5A1 GLU 412 HG3 -0.02 0.18 0.08 -0.04 2.34 2.53 2bg5A1 LEU 413 H -0.04 0.62 -0.10 -0.55 8.37 8.31 2bg5A1 LEU 413 HA 0.02 -0.08 0.36 -0.75 4.35 3.90 2bg5A1 LEU 413 HB2 -0.01 0.13 0.10 -0.04 1.64 1.83 2bg5A1 LEU 413 HB3 0.16 0.13 -0.05 -0.04 1.64 1.84 2bg5A1 LEU 413 HG -0.09 0.15 0.04 -0.04 1.64 1.71 2bg5A1 LEU 413 HD13 -0.13 0.00 -0.13 -0.04 0.93 0.63 2bg5A1 LEU 413 HD23 -0.01 -0.04 -0.05 -0.04 0.89 0.74 2bg5A1 ASP 414 H 0.10 0.59 -0.17 -0.55 8.40 8.37 2bg5A1 ASP 414 HA 0.09 0.04 0.51 -0.75 4.63 4.52 2bg5A1 ASP 414 HB2 0.07 0.08 0.18 -0.04 2.71 2.99 2bg5A1 ASP 414 HB3 0.05 -0.08 0.01 -0.04 2.70 2.64 2bg5A1 ARG 415 H 0.03 0.50 -0.19 -0.55 8.46 8.25 2bg5A1 ARG 415 HA 0.01 -0.01 0.44 -0.75 4.34 4.02 2bg5A1 ARG 415 HB2 0.01 0.14 0.27 -0.04 1.90 2.28 2bg5A1 ARG 415 HB3 0.01 -0.09 0.01 -0.04 1.80 1.69 2bg5A1 ARG 415 HG2 0.01 -0.06 0.07 -0.04 1.67 1.64 2bg5A1 ARG 415 HG3 0.01 0.08 0.08 -0.04 1.67 1.79 2bg5A1 ARG 415 HD2 0.00 0.01 -0.01 -0.04 3.22 3.18 2bg5A1 ARG 415 HD3 0.00 -0.03 0.02 -0.04 3.22 3.17 2bg5A1 GLU 416 H 0.02 0.50 -0.15 -0.55 8.60 8.42 2bg5A1 GLU 416 HA 0.00 0.04 0.46 -0.75 4.29 4.04 2bg5A1 GLU 416 HB2 0.01 0.05 0.08 -0.04 2.09 2.19 2bg5A1 GLU 416 HB3 -0.00 -0.07 0.09 -0.04 1.99 1.97 2bg5A1 GLU 416 HG2 -0.00 -0.06 -0.00 -0.04 2.34 2.23 2bg5A1 GLU 416 HG3 0.00 0.05 -0.00 -0.04 2.34 2.34 2bg5A1 GLY 417 H 0.02 0.37 -0.52 -0.55 8.43 7.76 2bg5A1 GLY 417 HA2 0.01 0.04 0.27 -0.51 4.01 3.81 2bg5A1 GLY 417 HA3 0.00 -0.00 0.48 -0.51 4.01 3.98 2bg5A1 VAL 418 H 0.03 0.34 -0.15 -0.55 8.24 7.91 2bg5A1 VAL 418 HA 0.01 0.05 0.64 -0.75 4.13 4.08 2bg5A1 VAL 418 HB 0.05 -0.04 0.05 -0.04 2.12 2.14 2bg5A1 VAL 418 HG13 0.00 0.03 -0.07 -0.04 0.97 0.90 2bg5A1 VAL 418 HG23 -0.01 -0.02 -0.11 -0.04 0.95 0.77 2bg5A1 LYS 419 H 0.01 0.09 0.16 -0.55 8.42 8.12 2bg5A1 LYS 419 HA -0.08 0.08 0.47 -0.75 4.32 4.04 2bg5A1 LYS 419 HB2 -0.07 -0.02 0.09 -0.04 1.87 1.83 2bg5A1 LYS 419 HB3 -0.11 0.05 0.03 -0.04 1.79 1.72 2bg5A1 LYS 419 HG2 -0.04 0.01 0.08 -0.04 1.46 1.47 2bg5A1 LYS 419 HG3 -0.07 -0.01 0.03 -0.04 1.46 1.37 2bg5A1 LYS 419 HD2 -0.10 -0.01 -0.00 -0.04 1.69 1.54 2bg5A1 LYS 419 HD3 -0.08 0.03 -0.20 -0.04 1.68 1.39 2bg5A1 LYS 419 HE2 -0.03 0.15 -0.03 -0.04 2.99 3.05 2bg5A1 LYS 419 HE3 -0.04 -0.05 -0.00 -0.04 2.99 2.85 2bg5A1 TYR 420 H -0.32 0.32 0.23 -0.55 8.29 7.97 2bg5A1 TYR 420 HA 0.00 0.21 0.35 -0.75 4.56 4.37 2bg5A1 TYR 420 HB2 0.02 -0.01 0.03 -0.04 3.06 3.06 2bg5A1 TYR 420 HB3 0.01 0.04 -0.28 -0.04 2.98 2.71 2bg5A1 TYR 420 HD2 -0.00 0.14 -0.43 -0.04 7.15 6.82 2bg5A1 TYR 420 HE2 -0.01 0.05 -0.10 -0.04 6.85 6.75 2bg5A1 ASP 421 H 0.17 0.22 -0.00 -0.55 8.40 8.24 2bg5A1 ASP 421 HA -0.04 0.06 0.60 -0.75 4.63 4.50 2bg5A1 ASP 421 HB2 0.04 0.32 0.09 -0.04 2.71 3.12 2bg5A1 ASP 421 HB3 0.09 -0.02 0.22 -0.04 2.70 2.95 2bg5A1 LYS 422 H -0.13 0.24 0.23 -0.55 8.42 8.20 2bg5A1 LYS 422 HA 0.17 0.08 0.31 -0.75 4.32 4.12 2bg5A1 LYS 422 HB2 -0.08 -0.02 0.11 -0.04 1.87 1.85 2bg5A1 LYS 422 HB3 -0.01 0.01 0.09 -0.04 1.79 1.83 2bg5A1 LYS 422 HG2 -0.45 0.01 -0.00 -0.04 1.46 0.98 2bg5A1 LYS 422 HG3 -0.43 0.09 0.10 -0.04 1.46 1.19 2bg5A1 LYS 422 HD2 -0.13 -0.01 0.03 -0.04 1.69 1.54 2bg5A1 LYS 422 HD3 -0.07 -0.02 0.02 -0.04 1.68 1.58 2bg5A1 LYS 422 HE2 -0.16 0.01 -0.01 -0.04 2.99 2.79 2bg5A1 LYS 422 HE3 -0.28 0.03 0.01 -0.04 2.99 2.70 2bg5A1 GLU 423 H 0.02 0.00 -0.46 -0.55 8.60 7.61 2bg5A1 GLU 423 HA 0.04 0.20 0.69 -0.75 4.29 4.46 2bg5A1 GLU 423 HB2 0.02 -0.01 0.01 -0.04 2.09 2.07 2bg5A1 GLU 423 HB3 0.03 0.05 0.13 -0.04 1.99 2.16 2bg5A1 GLU 423 HG2 0.00 -0.11 -0.10 -0.04 2.34 2.09 2bg5A1 GLU 423 HG3 0.01 0.01 -0.01 -0.04 2.34 2.30 2bg5A1 ILE 424 H 0.09 0.43 -0.33 -0.55 8.25 7.90 2bg5A1 ILE 424 HA 0.07 0.02 0.42 -0.75 4.18 3.93 2bg5A1 ILE 424 HB 0.10 0.01 0.17 -0.04 1.89 2.14 2bg5A1 ILE 424 HG12 0.05 0.08 -0.22 -0.04 1.49 1.35 2bg5A1 ILE 424 HG13 0.06 0.28 0.07 -0.04 1.21 1.58 2bg5A1 ILE 424 HG23 0.07 -0.02 -0.04 -0.04 0.93 0.89 2bg5A1 ILE 424 HD13 0.04 -0.05 -0.15 -0.04 0.88 0.68 2bg5A1 LYS 425 H 0.09 0.19 0.28 -0.55 8.42 8.42 2bg5A1 LYS 425 HA 0.09 0.12 0.69 -0.75 4.32 4.46 2bg5A1 LYS 425 HB2 0.16 -0.02 0.14 -0.04 1.87 2.12 2bg5A1 LYS 425 HB3 0.33 -0.02 -0.05 -0.04 1.79 2.01 2bg5A1 LYS 425 HG2 0.12 0.03 0.04 -0.04 1.46 1.61 2bg5A1 LYS 425 HG3 0.10 0.07 0.06 -0.04 1.46 1.65 2bg5A1 LYS 425 HD2 0.17 -0.03 -0.02 -0.04 1.69 1.77 2bg5A1 LYS 425 HD3 0.32 0.02 -0.04 -0.04 1.68 1.93 2bg5A1 LYS 425 HE2 0.15 0.05 0.03 -0.04 2.99 3.18 2bg5A1 LYS 425 HE3 0.11 -0.02 0.01 -0.04 2.99 3.04 2bg5A1 VAL 426 H 0.00 0.23 0.20 -0.55 8.24 8.12 2bg5A1 VAL 426 HA -0.14 0.24 0.93 -0.75 4.13 4.41 2bg5A1 VAL 426 HB -0.10 -0.01 0.19 -0.04 2.12 2.16 2bg5A1 VAL 426 HG13 -0.31 -0.01 -0.06 -0.04 0.97 0.55 2bg5A1 VAL 426 HG23 -0.03 0.03 -0.22 -0.04 0.95 0.69 2bg5A1 GLY 427 H -0.65 0.67 0.24 -0.55 8.43 8.14 2bg5A1 GLY 427 HA2 -0.78 -0.01 0.95 -0.51 4.01 3.66 2bg5A1 GLY 427 HA3 -2.17 0.08 0.36 -0.51 4.01 1.77 2bg5A1 ILE 428 H -0.52 0.39 0.20 -0.55 8.25 7.77 2bg5A1 ILE 428 HA -0.10 0.50 0.90 -0.75 4.18 4.73 2bg5A1 ILE 428 HB 0.02 0.06 0.09 -0.04 1.89 2.02 2bg5A1 ILE 428 HG12 -0.24 0.01 0.02 -0.04 1.49 1.24 2bg5A1 ILE 428 HG13 0.12 0.05 -0.10 -0.04 1.21 1.24 2bg5A1 ILE 428 HG23 -0.00 -0.04 -0.20 -0.04 0.93 0.65 2bg5A1 ILE 428 HD13 0.17 -0.03 -0.11 -0.04 0.88 0.87 2bg5A1 VAL 430 HA 0.05 -0.12 0.27 -0.75 4.13 3.58 2bg5A1 VAL 430 HB -0.00 -0.03 0.05 -0.04 2.12 2.09 2bg5A1 VAL 430 HG13 -0.05 -0.01 -0.27 -0.04 0.97 0.60 2bg5A1 VAL 430 HG23 0.04 0.03 -0.17 -0.04 0.95 0.81 2bg5A1 GLU 431 H 0.03 0.01 0.22 -0.55 8.60 8.31 2bg5A1 GLU 431 HA 0.09 0.14 0.76 -0.75 4.29 4.52 2bg5A1 GLU 431 HB2 0.22 -0.06 -0.10 -0.04 2.09 2.12 2bg5A1 GLU 431 HB3 0.10 0.03 0.10 -0.04 1.99 2.18 2bg5A1 GLU 431 HG2 0.06 0.11 -0.02 -0.04 2.34 2.44 2bg5A1 GLU 431 HG3 0.04 -0.01 0.10 -0.04 2.34 2.44 2bg5A1 ILE 432 H -0.01 0.14 0.21 -0.55 8.25 8.04 2bg5A1 ILE 432 HA -0.18 0.18 0.75 -0.75 4.18 4.18 2bg5A1 ILE 432 HB -0.10 0.16 0.20 -0.04 1.89 2.11 2bg5A1 ILE 432 HG12 -0.51 0.05 -0.01 -0.04 1.49 0.98 2bg5A1 ILE 432 HG13 -0.15 -0.00 0.03 -0.04 1.21 1.04 2bg5A1 ILE 432 HG23 -0.20 -0.07 0.02 -0.04 0.93 0.64 2bg5A1 ILE 432 HD13 -0.21 -0.02 -0.18 -0.04 0.88 0.43 2bg5A1 PRO 433 HA -0.01 0.10 0.30 -0.51 4.44 4.32 2bg5A1 PRO 433 HB2 -0.02 0.00 0.04 -0.04 2.28 2.26 2bg5A1 PRO 433 HB3 -0.01 0.08 0.08 -0.04 2.02 2.14 2bg5A1 PRO 433 HG2 0.03 0.12 -0.05 -0.04 2.03 2.08 2bg5A1 PRO 433 HG3 0.08 0.09 -0.04 -0.04 2.03 2.11 2bg5A1 PRO 433 HD2 -0.11 0.06 0.21 -0.04 3.68 3.80 2bg5A1 PRO 433 HD3 0.04 0.28 0.35 -0.04 3.65 4.27 2bg5A1 SER 434 H -0.06 0.13 -0.20 -0.55 8.46 7.79 2bg5A1 SER 434 HA -0.03 0.05 0.40 -0.75 4.49 4.15 2bg5A1 SER 434 HB2 -0.04 0.01 0.11 -0.04 3.95 4.00 2bg5A1 SER 434 HB3 -0.05 -0.02 0.12 -0.04 3.93 3.94 2bg5A1 ALA 435 H -0.04 0.29 -0.25 -0.55 8.40 7.86 2bg5A1 ALA 435 HA -0.00 0.00 0.37 -0.75 4.34 3.95 2bg5A1 ALA 435 HB3 0.01 0.08 0.04 -0.04 1.41 1.50 2bg5A1 ALA 436 H -0.05 0.25 -0.19 -0.55 8.40 7.86 2bg5A1 ALA 436 HA -0.17 0.14 0.61 -0.75 4.34 4.17 2bg5A1 ALA 436 HB3 -0.07 0.04 0.07 -0.04 1.41 1.40 2bg5A1 VAL 437 H -0.05 0.59 0.04 -0.55 8.24 8.28 2bg5A1 VAL 437 HA -0.04 0.09 0.47 -0.75 4.13 3.89 2bg5A1 VAL 437 HB -0.03 -0.03 0.11 -0.04 2.12 2.13 2bg5A1 VAL 437 HG13 -0.02 -0.02 -0.01 -0.04 0.97 0.88 2bg5A1 VAL 437 HG23 -0.03 0.05 -0.00 -0.04 0.95 0.93 2bg5A1 THR 438 H -0.04 0.60 -0.30 -0.55 8.28 7.99 2bg5A1 THR 438 HA -0.02 0.22 1.10 -0.75 4.39 4.93 2bg5A1 THR 438 HB 0.00 -0.21 0.25 -0.04 4.32 4.32 2bg5A1 THR 438 HG23 -0.01 -0.01 -0.04 -0.04 1.22 1.12 2bg5A1 ALA 439 H -0.08 0.53 -0.36 -0.55 8.40 7.95 2bg5A1 ALA 439 HA 0.00 0.05 0.33 -0.75 4.34 3.97 2bg5A1 ALA 439 HB3 -0.36 0.05 0.12 -0.04 1.41 1.18 2bg5A1 ASP 440 H -0.01 0.12 -0.42 -0.55 8.40 7.55 2bg5A1 ASP 440 HA 0.04 0.17 0.35 -0.75 4.63 4.43 2bg5A1 ASP 440 HB2 0.02 0.03 0.00 -0.04 2.71 2.72 2bg5A1 ASP 440 HB3 -0.00 0.05 0.02 -0.04 2.70 2.73 2bg5A1 ILE 441 H 0.03 0.19 -0.27 -0.55 8.25 7.64 2bg5A1 ILE 441 HA 0.02 0.08 0.41 -0.75 4.18 3.94 2bg5A1 ILE 441 HB 0.02 0.17 0.18 -0.04 1.89 2.21 2bg5A1 ILE 441 HG12 0.01 0.01 0.01 -0.04 1.49 1.48 2bg5A1 ILE 441 HG13 0.01 -0.02 0.01 -0.04 1.21 1.16 2bg5A1 ILE 441 HG23 0.01 -0.03 -0.12 -0.04 0.93 0.75 2bg5A1 ILE 441 HD13 -0.00 -0.01 0.03 -0.04 0.88 0.86 2bg5A1 LEU 442 H 0.08 0.54 0.01 -0.55 8.37 8.45 2bg5A1 LEU 442 HA 0.03 -0.04 0.46 -0.75 4.35 4.05 2bg5A1 LEU 442 HB2 0.27 0.12 0.07 -0.04 1.64 2.06 2bg5A1 LEU 442 HB3 0.21 0.04 -0.09 -0.04 1.64 1.75 2bg5A1 LEU 442 HG 0.05 -0.09 -0.04 -0.04 1.64 1.52 2bg5A1 LEU 442 HD13 0.09 0.04 -0.19 -0.04 0.93 0.83 2bg5A1 LEU 442 HD23 0.02 -0.04 -0.22 -0.04 0.89 0.62 2bg5A1 ALA 443 H 0.20 0.55 -0.36 -0.55 8.40 8.24 2bg5A1 ALA 443 HA -0.06 -0.00 0.16 -0.75 4.34 3.69 2bg5A1 ALA 443 HB3 0.20 0.03 -0.03 -0.04 1.41 1.57 2bg5A1 LYS 444 H 0.03 0.17 -0.65 -0.55 8.42 7.42 2bg5A1 LYS 444 HA 0.00 0.11 0.56 -0.75 4.32 4.24 2bg5A1 LYS 444 HB2 0.01 0.14 0.08 -0.04 1.87 2.05 2bg5A1 LYS 444 HB3 0.00 -0.09 0.06 -0.04 1.79 1.72 2bg5A1 LYS 444 HG2 0.02 -0.03 0.05 -0.04 1.46 1.45 2bg5A1 LYS 444 HG3 0.03 0.15 0.04 -0.04 1.46 1.63 2bg5A1 LYS 444 HD2 0.01 -0.01 0.08 -0.04 1.69 1.74 2bg5A1 LYS 444 HD3 0.01 -0.09 0.03 -0.04 1.68 1.59 2bg5A1 LYS 444 HE2 0.02 -0.01 -0.00 -0.04 2.99 2.95 2bg5A1 LYS 444 HE3 0.02 0.13 -0.02 -0.04 2.99 3.08 2bg5A1 GLU 445 H -0.05 0.62 -0.17 -0.55 8.60 8.45 2bg5A1 GLU 445 HA -0.04 0.21 0.96 -0.75 4.29 4.67 2bg5A1 GLU 445 HB2 -0.03 -0.03 0.05 -0.04 2.09 2.04 2bg5A1 GLU 445 HB3 -0.03 -0.08 0.11 -0.04 1.99 1.96 2bg5A1 GLU 445 HG2 -0.01 0.15 -0.38 -0.04 2.34 2.05 2bg5A1 GLU 445 HG3 -0.01 0.03 -0.22 -0.04 2.34 2.09 2bg5A1 VAL 446 H -0.17 0.30 -0.04 -0.55 8.24 7.79 2bg5A1 VAL 446 HA -0.21 0.21 0.97 -0.75 4.13 4.35 2bg5A1 VAL 446 HB -0.57 -0.04 0.25 -0.04 2.12 1.72 2bg5A1 VAL 446 HG13 -0.23 -0.01 -0.16 -0.04 0.97 0.53 2bg5A1 VAL 446 HG23 -0.85 0.02 -0.23 -0.04 0.95 -0.16 2bg5A1 ASP 447 H -0.35 0.68 0.38 -0.55 8.40 8.55 2bg5A1 ASP 447 HA -0.10 0.23 0.81 -0.75 4.63 4.82 2bg5A1 ASP 447 HB2 -0.01 -0.09 -0.01 -0.04 2.71 2.56 2bg5A1 ASP 447 HB3 0.11 -0.00 0.08 -0.04 2.70 2.85 2bg5A1 PHE 448 H -0.68 0.18 0.06 -0.55 8.34 7.35 2bg5A1 PHE 448 HA -0.51 0.17 0.42 -0.75 4.62 3.95 2bg5A1 PHE 448 HB2 -1.37 0.15 0.04 -0.04 3.15 1.94 2bg5A1 PHE 448 HB3 -1.44 0.10 -0.10 -0.04 3.06 1.58 2bg5A1 PHE 448 HD2 -0.19 0.05 -0.56 -0.04 7.28 6.54 2bg5A1 PHE 448 HE2 -0.04 0.00 -0.37 -0.04 7.38 6.93 2bg5A1 PHE 448 HZ -0.05 -0.00 -0.27 -0.04 7.32 6.96 2bg5A1 PHE 449 H 0.07 0.52 0.32 -0.55 8.34 8.69 2bg5A1 PHE 449 HA -0.14 0.19 1.02 -0.75 4.62 4.94 2bg5A1 PHE 449 HB2 -0.03 -0.03 0.07 -0.04 3.15 3.11 2bg5A1 PHE 449 HB3 -0.03 0.07 0.01 -0.04 3.06 3.07 2bg5A1 PHE 449 HD2 -0.07 0.04 -0.10 -0.04 7.28 7.11 2bg5A1 PHE 449 HE2 -0.05 -0.03 -0.15 -0.04 7.38 7.10 2bg5A1 PHE 449 HZ -0.05 0.02 -0.10 -0.04 7.32 7.15 2bg5A1 SER 450 H 0.19 0.73 0.26 -0.55 8.46 9.09 2bg5A1 SER 450 HA 0.19 0.12 0.81 -0.75 4.49 4.86 2bg5A1 SER 450 HB2 0.31 -0.03 -0.19 -0.04 3.95 4.00 2bg5A1 SER 450 HB3 0.18 -0.05 -0.18 -0.04 3.93 3.84 2bg5A1 ILE 451 H 0.07 0.60 0.46 -0.55 8.25 8.83 2bg5A1 ILE 451 HA 0.04 0.20 0.72 -0.75 4.18 4.39 2bg5A1 ILE 451 HB -0.01 -0.01 0.17 -0.04 1.89 1.99 2bg5A1 ILE 451 HG12 -0.05 -0.01 -0.04 -0.04 1.49 1.35 2bg5A1 ILE 451 HG13 0.02 0.00 -0.05 -0.04 1.21 1.14 2bg5A1 ILE 451 HG23 -0.02 -0.05 -0.20 -0.04 0.93 0.62 2bg5A1 ILE 451 HD13 -0.06 -0.01 -0.03 -0.04 0.88 0.74 2bg5A1 GLY 452 H 0.06 0.73 0.26 -0.55 8.43 8.92 2bg5A1 GLY 452 HA2 0.06 0.08 0.64 -0.51 4.01 4.27 2bg5A1 GLY 452 HA3 0.07 -0.03 0.35 -0.51 4.01 3.89 2bg5A1 THR 453 H 0.03 0.29 0.18 -0.55 8.28 8.23 2bg5A1 THR 453 HA 0.01 0.14 0.24 -0.75 4.39 4.02 2bg5A1 THR 453 HB -0.06 0.02 0.06 -0.04 4.32 4.29 2bg5A1 THR 453 HG23 -0.03 0.08 -0.02 -0.04 1.22 1.21 2bg5A1 ASN 454 H 0.06 0.08 -0.13 -0.55 8.53 8.00 2bg5A1 ASN 454 HA 0.21 0.12 0.41 -0.75 4.76 4.74 2bg5A1 ASN 454 HB2 0.07 0.01 0.03 -0.04 2.88 2.95 2bg5A1 ASN 454 HB3 0.04 0.04 0.05 -0.04 2.79 2.88 2bg5A1 ASN 454 HD21 0.05 0.09 0.08 -0.04 7.03 7.21 2bg5A1 ASN 454 HD22 0.04 0.04 0.03 -0.04 7.74 7.81 2bg5A1 ASP 455 H 0.08 0.15 -0.16 -0.55 8.40 7.92 2bg5A1 ASP 455 HA 0.08 0.06 0.60 -0.75 4.63 4.62 2bg5A1 ASP 455 HB2 0.10 0.08 0.14 -0.04 2.71 2.99 2bg5A1 ASP 455 HB3 0.09 0.04 0.01 -0.04 2.70 2.79 2bg5A1 LEU 456 H 0.07 0.55 0.09 -0.55 8.37 8.54 2bg5A1 LEU 456 HA 0.14 0.32 0.56 -0.75 4.35 4.63 2bg5A1 LEU 456 HB2 0.05 0.19 0.09 -0.04 1.64 1.92 2bg5A1 LEU 456 HB3 0.02 -0.03 0.08 -0.04 1.64 1.67 2bg5A1 LEU 456 HG 0.00 -0.07 -0.21 -0.04 1.64 1.32 2bg5A1 LEU 456 HD13 0.03 -0.00 -0.21 -0.04 0.93 0.71 2bg5A1 LEU 456 HD23 -0.02 0.03 -0.13 -0.04 0.89 0.72 2bg5A1 THR 457 H 0.04 0.46 -0.30 -0.55 8.28 7.93 2bg5A1 THR 457 HA -0.06 0.03 0.41 -0.75 4.39 4.02 2bg5A1 THR 457 HB 0.06 0.10 0.13 -0.04 4.32 4.57 2bg5A1 THR 457 HG23 -0.45 -0.01 -0.22 -0.04 1.22 0.49 2bg5A1 GLN 458 H 0.13 0.40 -0.12 -0.55 8.47 8.34 2bg5A1 GLN 458 HA 0.13 0.03 0.45 -0.75 4.36 4.22 2bg5A1 GLN 458 HB2 -0.00 0.04 0.22 -0.04 2.15 2.37 2bg5A1 GLN 458 HB3 -0.02 0.09 0.15 -0.04 2.02 2.20 2bg5A1 GLN 458 HG2 0.02 -0.03 0.12 -0.04 2.40 2.47 2bg5A1 GLN 458 HG3 0.18 0.19 0.19 -0.04 2.39 2.91 2bg5A1 GLN 458 HE21 -0.15 -0.08 -0.05 -0.04 6.97 6.65 2bg5A1 GLN 458 HE22 0.02 0.26 -0.22 -0.04 7.69 7.70 2bg5A1 TYR 459 H -0.00 0.64 -0.08 -0.55 8.29 8.30 2bg5A1 TYR 459 HA 0.09 -0.01 0.39 -0.75 4.56 4.28 2bg5A1 TYR 459 HB2 0.00 0.17 0.24 -0.04 3.06 3.44 2bg5A1 TYR 459 HB3 -0.01 -0.10 0.11 -0.04 2.98 2.94 2bg5A1 TYR 459 HD2 -0.01 0.17 -0.10 -0.04 7.15 7.17 2bg5A1 TYR 459 HE2 -0.35 -0.05 -0.13 -0.04 6.85 6.28 2bg5A1 THR 460 H 0.09 0.74 -0.03 -0.55 8.28 8.54 2bg5A1 THR 460 HA 0.03 -0.02 0.47 -0.75 4.39 4.12 2bg5A1 THR 460 HB -0.04 0.04 0.11 -0.04 4.32 4.40 2bg5A1 THR 460 HG23 -0.08 -0.03 -0.09 -0.04 1.22 0.98 2bg5A1 LEU 461 H 0.02 0.56 -0.21 -0.55 8.37 8.18 2bg5A1 LEU 461 HA -0.05 0.09 0.73 -0.75 4.35 4.37 2bg5A1 LEU 461 HB2 0.02 0.08 0.05 -0.04 1.64 1.75 2bg5A1 LEU 461 HB3 0.04 0.00 0.15 -0.04 1.64 1.79 2bg5A1 LEU 461 HG -0.14 -0.03 -0.02 -0.04 1.64 1.41 2bg5A1 LEU 461 HD13 -0.05 0.06 0.11 -0.04 0.93 1.01 2bg5A1 LEU 461 HD23 -0.41 -0.01 0.01 -0.04 0.89 0.44 2bg5A1 ALA 462 H 0.07 0.27 -0.51 -0.55 8.40 7.68 2bg5A1 ALA 462 HA 0.10 0.03 0.34 -0.75 4.34 4.06 2bg5A1 ALA 462 HB3 0.03 -0.01 0.07 -0.04 1.41 1.46 2bg5A1 VAL 463 H 0.08 0.58 0.02 -0.55 8.24 8.37 2bg5A1 VAL 463 HA 0.02 0.14 0.84 -0.75 4.13 4.38 2bg5A1 VAL 463 HB 0.10 0.15 -0.29 -0.04 2.12 2.04 2bg5A1 VAL 463 HG13 0.16 -0.02 -0.29 -0.04 0.97 0.78 2bg5A1 VAL 463 HG23 0.11 -0.04 -0.40 -0.04 0.95 0.57 2bg5A1 ASP 464 H -0.02 0.17 0.03 -0.55 8.40 8.03 2bg5A1 ASP 464 HA -0.25 0.07 0.74 -0.75 4.63 4.44 2bg5A1 ASP 464 HB2 -0.08 -0.02 0.05 -0.04 2.71 2.61 2bg5A1 ASP 464 HB3 -0.06 -0.00 0.20 -0.04 2.70 2.80 2bg5A1 ARG 465 H -0.25 0.14 0.04 -0.55 8.46 7.83 2bg5A1 ARG 465 HA -0.09 0.10 -0.06 -0.75 4.34 3.54 2bg5A1 ARG 465 HB2 -0.58 0.04 0.09 -0.04 1.90 1.41 2bg5A1 ARG 465 HB3 -0.65 0.02 0.05 -0.04 1.80 1.18 2bg5A1 ARG 465 HG2 -0.35 -0.04 0.08 -0.04 1.67 1.31 2bg5A1 ARG 465 HG3 -0.31 0.01 0.05 -0.04 1.67 1.38 2bg5A1 ARG 465 HD2 -0.66 0.03 0.04 -0.04 3.22 2.58 2bg5A1 ARG 465 HD3 -0.31 -0.04 0.01 -0.04 3.22 2.84 2bg5A1 ASN 467 HA -0.01 -0.10 0.34 -0.75 4.76 4.22 2bg5A1 ASN 467 HB2 -0.01 -0.01 0.13 -0.04 2.88 2.94 2bg5A1 ASN 467 HB3 0.01 0.15 0.10 -0.04 2.79 3.00 2bg5A1 ASN 467 HD21 0.07 0.02 0.00 -0.04 7.03 7.08 2bg5A1 ASN 467 HD22 0.03 0.04 0.04 -0.04 7.74 7.80 2bg5A1 GLU 468 H -0.15 0.11 0.18 -0.55 8.60 8.19 2bg5A1 GLU 468 HA -0.11 0.16 0.46 -0.75 4.29 4.05 2bg5A1 GLU 468 HB2 -0.42 -0.04 0.15 -0.04 2.09 1.74 2bg5A1 GLU 468 HB3 -0.23 0.02 0.09 -0.04 1.99 1.83 2bg5A1 GLU 468 HG2 -0.11 0.01 0.10 -0.04 2.34 2.29 2bg5A1 GLU 468 HG3 -0.11 -0.01 0.06 -0.04 2.34 2.24 2bg5A1 HIS 469 H -0.23 0.06 -0.26 -0.55 8.41 7.43 2bg5A1 HIS 469 HA 0.03 0.11 0.48 -0.75 4.63 4.50 2bg5A1 HIS 469 HB2 0.01 0.04 -0.02 -0.04 3.26 3.25 2bg5A1 HIS 469 HB3 0.02 0.02 0.10 -0.04 3.20 3.30 2bg5A1 HIS 469 HD2 0.01 0.03 -0.00 -0.04 6.97 6.97 2bg5A1 HIS 469 HE1 -0.00 0.02 0.03 -0.04 7.75 7.75 2bg5A1 VAL 470 H 0.08 0.41 -0.34 -0.55 8.24 7.84 2bg5A1 VAL 470 HA 0.28 0.19 0.90 -0.75 4.13 4.75 2bg5A1 VAL 470 HB 0.05 -0.01 0.14 -0.04 2.12 2.25 2bg5A1 VAL 470 HG13 -0.02 -0.02 -0.19 -0.04 0.97 0.70 2bg5A1 VAL 470 HG23 0.04 0.00 -0.09 -0.04 0.95 0.86 2bg5A1 LYS 471 H 0.05 0.24 -0.11 -0.55 8.42 8.05 2bg5A1 LYS 471 HA 0.07 0.10 0.26 -0.75 4.32 3.99 2bg5A1 LYS 471 HB2 0.00 -0.02 0.12 -0.04 1.87 1.93 2bg5A1 LYS 471 HB3 -0.02 0.19 0.14 -0.04 1.79 2.06 2bg5A1 LYS 471 HG2 0.01 0.08 0.12 -0.04 1.46 1.63 2bg5A1 LYS 471 HG3 0.02 -0.04 -0.10 -0.04 1.46 1.31 2bg5A1 LYS 471 HD2 -0.02 -0.02 0.02 -0.04 1.69 1.63 2bg5A1 LYS 471 HD3 -0.04 -0.02 0.09 -0.04 1.68 1.66 2bg5A1 LYS 471 HE2 -0.03 0.08 0.09 -0.04 2.99 3.09 2bg5A1 LYS 471 HE3 -0.01 -0.03 0.02 -0.04 2.99 2.93 2bg5A1 GLU 472 H 0.09 0.07 -0.42 -0.55 8.60 7.78 2bg5A1 GLU 472 HA 0.03 0.14 0.44 -0.75 4.29 4.15 2bg5A1 GLU 472 HB2 -0.08 -0.00 0.07 -0.04 2.09 2.04 2bg5A1 GLU 472 HB3 -0.02 -0.03 0.04 -0.04 1.99 1.94 2bg5A1 GLU 472 HG2 -0.46 0.08 -0.29 -0.04 2.34 1.62 2bg5A1 GLU 472 HG3 -0.20 -0.03 -0.07 -0.04 2.34 1.99 2bg5A1 TYR 473 H 0.29 0.54 -0.36 -0.55 8.29 8.22 2bg5A1 TYR 473 HA 0.05 0.04 0.53 -0.75 4.56 4.43 2bg5A1 TYR 473 HB2 0.05 0.13 0.04 -0.04 3.06 3.24 2bg5A1 TYR 473 HB3 0.05 0.04 0.05 -0.04 2.98 3.08 2bg5A1 TYR 473 HD2 0.04 0.03 0.05 -0.04 7.15 7.23 2bg5A1 TYR 473 HE2 0.03 -0.01 0.02 -0.04 6.85 6.85 2bg5A1 TYR 474 H 0.23 0.43 -0.36 -0.55 8.29 8.04 2bg5A1 TYR 474 HA 0.04 0.03 0.49 -0.75 4.56 4.37 2bg5A1 TYR 474 HB2 0.01 -0.06 -0.04 -0.04 3.06 2.93 2bg5A1 TYR 474 HB3 0.02 0.20 0.18 -0.04 2.98 3.34 2bg5A1 TYR 474 HD2 -0.01 0.03 -0.07 -0.04 7.15 7.06 2bg5A1 TYR 474 HE2 -0.02 0.07 0.04 -0.04 6.85 6.90 2bg5A1 GLN 475 H -0.20 0.23 0.04 -0.55 8.47 8.00 2bg5A1 GLN 475 HA -0.11 0.22 0.87 -0.75 4.36 4.58 2bg5A1 GLN 475 HB2 0.06 0.02 0.15 -0.04 2.15 2.33 2bg5A1 GLN 475 HB3 0.04 -0.16 0.03 -0.04 2.02 1.90 2bg5A1 GLN 475 HG2 0.02 0.10 -0.72 -0.04 2.40 1.76 2bg5A1 GLN 475 HG3 0.02 -0.08 -0.07 -0.04 2.39 2.22 2bg5A1 GLN 475 HE21 0.01 -0.14 0.01 -0.04 6.97 6.81 2bg5A1 GLN 475 HE22 -0.01 0.62 0.02 -0.04 7.69 8.27 2bg5A1 PRO 476 HA -0.32 0.09 0.43 -0.51 4.44 4.12 2bg5A1 PRO 476 HB2 -0.57 0.04 -0.06 -0.04 2.28 1.66 2bg5A1 PRO 476 HB3 -0.36 0.04 0.03 -0.04 2.02 1.69 2bg5A1 PRO 476 HG2 -0.11 0.05 -0.00 -0.04 2.03 1.93 2bg5A1 PRO 476 HG3 -0.75 0.02 -0.02 -0.04 2.03 1.24 2bg5A1 PRO 476 HD2 -0.09 0.10 0.12 -0.04 3.68 3.76 2bg5A1 PRO 476 HD3 -0.51 0.27 -0.15 -0.04 3.65 3.22 2bg5A1 PHE 477 H 0.05 0.06 -0.34 -0.55 8.34 7.56 2bg5A1 PHE 477 HA -0.01 0.28 0.77 -0.75 4.62 4.91 2bg5A1 PHE 477 HB2 -0.02 -0.06 0.00 -0.04 3.15 3.03 2bg5A1 PHE 477 HB3 -0.01 0.05 0.09 -0.04 3.06 3.15 2bg5A1 PHE 477 HD2 -0.01 0.00 -0.08 -0.04 7.28 7.16 2bg5A1 PHE 477 HE2 0.02 0.00 -0.12 -0.04 7.38 7.24 2bg5A1 PHE 477 HZ 0.03 -0.09 -0.16 -0.04 7.32 7.05 2bg5A1 HIS 478 H 0.10 0.44 -0.31 -0.55 8.41 8.09 2bg5A1 HIS 478 HA 0.02 -0.03 0.50 -0.75 4.63 4.37 2bg5A1 HIS 478 HB2 -0.03 0.11 0.20 -0.04 3.26 3.51 2bg5A1 HIS 478 HB3 -0.04 -0.04 0.13 -0.04 3.20 3.21 2bg5A1 HIS 478 HD2 0.01 0.05 0.08 -0.04 6.97 7.07 2bg5A1 HIS 478 HE1 0.01 0.05 0.02 -0.04 7.75 7.78 2bg5A1 PRO 479 HA 0.06 0.14 0.32 -0.51 4.44 4.45 2bg5A1 PRO 479 HB2 0.02 -0.02 0.00 -0.04 2.28 2.24 2bg5A1 PRO 479 HB3 0.01 0.16 0.03 -0.04 2.02 2.18 2bg5A1 PRO 479 HG2 -0.11 0.13 -0.25 -0.04 2.03 1.76 2bg5A1 PRO 479 HG3 -0.04 0.14 -0.10 -0.04 2.03 1.99 2bg5A1 PRO 479 HD2 -0.71 0.09 0.17 -0.04 3.68 3.18 2bg5A1 PRO 479 HD3 -0.20 -0.02 0.16 -0.04 3.65 3.55 2bg5A1 ALA 480 H 0.75 0.09 -0.33 -0.55 8.40 8.36 2bg5A1 ALA 480 HA 0.06 0.08 0.39 -0.75 4.34 4.11 2bg5A1 ALA 480 HB3 -0.09 0.01 0.01 -0.04 1.41 1.30 2bg5A1 ILE 481 H 0.07 0.41 -0.24 -0.55 8.25 7.94 2bg5A1 ILE 481 HA -0.04 0.01 0.34 -0.75 4.18 3.74 2bg5A1 ILE 481 HB -0.06 0.25 0.07 -0.04 1.89 2.11 2bg5A1 ILE 481 HG12 -0.04 -0.02 0.05 -0.04 1.49 1.43 2bg5A1 ILE 481 HG13 -0.13 -0.04 0.06 -0.04 1.21 1.06 2bg5A1 ILE 481 HG23 -0.10 -0.03 -0.07 -0.04 0.93 0.69 2bg5A1 ILE 481 HD13 -0.09 -0.03 -0.13 -0.04 0.88 0.60 2bg5A1 LEU 482 H 0.03 0.30 -0.19 -0.55 8.37 7.96 2bg5A1 LEU 482 HA -0.01 0.04 0.42 -0.75 4.35 4.05 2bg5A1 LEU 482 HB2 0.04 0.10 -0.00 -0.04 1.64 1.74 2bg5A1 LEU 482 HB3 0.03 0.00 -0.03 -0.04 1.64 1.60 2bg5A1 LEU 482 HG 0.08 0.05 -0.13 -0.04 1.64 1.60 2bg5A1 LEU 482 HD13 0.12 0.01 -0.11 -0.04 0.93 0.91 2bg5A1 LEU 482 HD23 0.05 -0.02 -0.10 -0.04 0.89 0.77 2bg5A1 ARG 483 H 0.02 0.46 -0.31 -0.55 8.46 8.08 2bg5A1 ARG 483 HA -0.00 0.08 0.60 -0.75 4.34 4.27 2bg5A1 ARG 483 HB2 0.01 0.01 0.10 -0.04 1.90 1.99 2bg5A1 ARG 483 HB3 -0.00 -0.06 0.01 -0.04 1.80 1.71 2bg5A1 ARG 483 HG2 0.01 -0.01 0.02 -0.04 1.67 1.66 2bg5A1 ARG 483 HG3 0.03 0.32 0.07 -0.04 1.67 2.05 2bg5A1 ARG 483 HD2 0.04 -0.09 -0.13 -0.04 3.22 3.00 2bg5A1 ARG 483 HD3 0.01 -0.06 -0.03 -0.04 3.22 3.11 2bg5A1 LEU 484 H -0.02 0.50 -0.09 -0.55 8.37 8.21 2bg5A1 LEU 484 HA -0.05 0.03 0.45 -0.75 4.35 4.03 2bg5A1 LEU 484 HB2 -0.04 0.10 0.13 -0.04 1.64 1.79 2bg5A1 LEU 484 HB3 -0.05 -0.08 -0.00 -0.04 1.64 1.47 2bg5A1 LEU 484 HG -0.03 0.24 0.09 -0.04 1.64 1.90 2bg5A1 LEU 484 HD13 -0.03 -0.04 -0.04 -0.04 0.93 0.78 2bg5A1 LEU 484 HD23 -0.03 -0.03 -0.06 -0.04 0.89 0.72 2bg5A1 VAL 485 H -0.04 0.33 -0.34 -0.55 8.24 7.64 2bg5A1 VAL 485 HA -0.08 -0.01 0.33 -0.75 4.13 3.62 2bg5A1 VAL 485 HB -0.04 0.07 0.14 -0.04 2.12 2.24 2bg5A1 VAL 485 HG13 -0.05 -0.01 -0.15 -0.04 0.97 0.71 2bg5A1 VAL 485 HG23 -0.06 0.02 -0.03 -0.04 0.95 0.83 2bg5A1 LYS 486 H -0.04 0.44 -0.24 -0.55 8.42 8.03 2bg5A1 LYS 486 HA -0.04 0.02 0.27 -0.75 4.32 3.82 2bg5A1 LYS 486 HB2 -0.01 0.05 0.12 -0.04 1.87 1.99 2bg5A1 LYS 486 HB3 -0.02 0.18 0.17 -0.04 1.79 2.07 2bg5A1 LYS 486 HG2 -0.02 -0.06 0.09 -0.04 1.46 1.43 2bg5A1 LYS 486 HG3 -0.01 0.01 0.10 -0.04 1.46 1.52 2bg5A1 LYS 486 HD2 0.00 0.01 0.01 -0.04 1.69 1.68 2bg5A1 LYS 486 HD3 -0.00 0.03 0.04 -0.04 1.68 1.70 2bg5A1 LYS 486 HE2 0.00 -0.03 0.00 -0.04 2.99 2.93 2bg5A1 LYS 486 HE3 -0.00 -0.03 0.02 -0.04 2.99 2.94 2bg5A1 VAL 488 HA -0.41 -0.16 0.36 -0.75 4.13 3.17 2bg5A1 VAL 488 HB -0.19 0.12 0.09 -0.04 2.12 2.10 2bg5A1 VAL 488 HG13 -0.50 -0.02 -0.18 -0.04 0.97 0.23 2bg5A1 VAL 488 HG23 -0.27 0.01 0.06 -0.04 0.95 0.71 2bg5A1 ILE 489 H -0.15 0.77 -0.51 -0.55 8.25 7.81 2bg5A1 ILE 489 HA -0.24 -0.04 0.42 -0.75 4.18 3.57 2bg5A1 ILE 489 HB -0.12 0.08 0.13 -0.04 1.89 1.94 2bg5A1 ILE 489 HG12 -0.09 -0.12 -0.08 -0.04 1.49 1.16 2bg5A1 ILE 489 HG13 -0.10 0.13 -0.03 -0.04 1.21 1.17 2bg5A1 ILE 489 HG23 -0.28 0.00 -0.25 -0.04 0.93 0.36 2bg5A1 ILE 489 HD13 -0.04 -0.03 -0.27 -0.04 0.88 0.50 2bg5A1 ASP 490 H -0.11 0.73 0.24 -0.55 8.40 8.72 2bg5A1 ASP 490 HA -0.02 0.06 0.45 -0.75 4.63 4.36 2bg5A1 ASP 490 HB2 -0.04 0.04 0.04 -0.04 2.71 2.70 2bg5A1 ASP 490 HB3 0.01 -0.09 0.03 -0.04 2.70 2.61 2bg5A1 ALA 491 H -0.11 0.23 -0.51 -0.55 8.40 7.47 2bg5A1 ALA 491 HA 0.01 -0.00 0.20 -0.75 4.34 3.80 2bg5A1 ALA 491 HB3 -0.08 0.03 -0.20 -0.04 1.41 1.12 2bg5A1 ALA 492 H -0.02 0.64 -0.07 -0.55 8.40 8.40 2bg5A1 ALA 492 HA 0.29 -0.01 0.40 -0.75 4.34 4.26 2bg5A1 ALA 492 HB3 0.20 0.04 -0.13 -0.04 1.41 1.47 2bg5A1 HIS 493 H 0.01 0.54 -0.22 -0.55 8.41 8.20 2bg5A1 HIS 493 HA 0.08 0.14 0.22 -0.75 4.63 4.32 2bg5A1 HIS 493 HB2 0.06 0.02 0.17 -0.04 3.26 3.47 2bg5A1 HIS 493 HB3 0.06 -0.10 0.03 -0.04 3.20 3.15 2bg5A1 HIS 493 HD2 0.12 0.24 -0.01 -0.04 6.97 7.27 2bg5A1 HIS 493 HE1 0.09 0.40 0.10 -0.04 7.75 8.28 2bg5A1 LYS 494 H 0.12 0.59 -0.19 -0.55 8.42 8.39 2bg5A1 LYS 494 HA 0.08 -0.02 0.47 -0.75 4.32 4.10 2bg5A1 LYS 494 HB2 0.06 0.21 0.16 -0.04 1.87 2.27 2bg5A1 LYS 494 HB3 0.06 0.04 0.01 -0.04 1.79 1.86 2bg5A1 LYS 494 HG2 0.04 -0.05 0.01 -0.04 1.46 1.42 2bg5A1 LYS 494 HG3 0.05 -0.03 0.10 -0.04 1.46 1.54 2bg5A1 LYS 494 HD2 0.04 0.05 -0.01 -0.04 1.69 1.73 2bg5A1 LYS 494 HD3 0.03 -0.03 -0.02 -0.04 1.68 1.61 2bg5A1 LYS 494 HE2 0.03 -0.04 -0.00 -0.04 2.99 2.93 2bg5A1 LYS 494 HE3 0.03 -0.01 0.01 -0.04 2.99 2.98 2bg5A1 GLU 495 H 0.10 0.44 -0.35 -0.55 8.60 8.25 2bg5A1 GLU 495 HA 0.05 0.02 0.62 -0.75 4.29 4.23 2bg5A1 GLU 495 HB2 0.07 0.12 0.07 -0.04 2.09 2.30 2bg5A1 GLU 495 HB3 0.03 0.03 0.13 -0.04 1.99 2.15 2bg5A1 GLU 495 HG2 0.06 -0.03 -0.09 -0.04 2.34 2.24 2bg5A1 GLU 495 HG3 0.05 -0.08 -0.37 -0.04 2.34 1.89 2bg5A1 GLY 496 H 0.09 0.44 -0.55 -0.55 8.43 7.87 2bg5A1 GLY 496 HA2 0.08 0.04 0.33 -0.51 4.01 3.94 2bg5A1 GLY 496 HA3 0.06 -0.07 0.39 -0.51 4.01 3.88 2bg5A1 LYS 497 H 0.13 0.58 -0.11 -0.55 8.42 8.46 2bg5A1 LYS 497 HA 0.12 0.13 0.82 -0.75 4.32 4.63 2bg5A1 LYS 497 HB2 0.03 -0.06 -0.04 -0.04 1.87 1.77 2bg5A1 LYS 497 HB3 -0.08 0.00 -0.14 -0.04 1.79 1.53 2bg5A1 LYS 497 HG2 0.01 0.01 0.01 -0.04 1.46 1.45 2bg5A1 LYS 497 HG3 0.03 0.05 -0.43 -0.04 1.46 1.07 2bg5A1 LYS 497 HD2 -0.06 -0.04 0.02 -0.04 1.69 1.57 2bg5A1 LYS 497 HD3 -0.11 0.23 0.15 -0.04 1.68 1.91 2bg5A1 LYS 497 HE2 -0.00 -0.15 0.02 -0.04 2.99 2.82 2bg5A1 LYS 497 HE3 0.01 0.06 0.06 -0.04 2.99 3.08 2bg5A1 PHE 498 H -0.02 0.20 0.20 -0.55 8.34 8.17 2bg5A1 PHE 498 HA 0.25 0.22 0.81 -0.75 4.62 5.15 2bg5A1 PHE 498 HB2 0.11 -0.01 0.06 -0.04 3.15 3.27 2bg5A1 PHE 498 HB3 0.08 0.03 0.00 -0.04 3.06 3.14 2bg5A1 PHE 498 HD2 0.05 0.02 -0.23 -0.04 7.28 7.09 2bg5A1 PHE 498 HE2 -0.16 -0.01 -0.14 -0.04 7.38 7.02 2bg5A1 PHE 498 HZ -0.69 -0.04 -0.17 -0.04 7.32 6.37 2bg5A1 ALA 499 H 0.39 0.21 0.25 -0.55 8.40 8.70 2bg5A1 ALA 499 HA 0.19 0.18 0.94 -0.75 4.34 4.90 2bg5A1 ALA 499 HB3 0.03 0.02 0.05 -0.04 1.41 1.48 2bg5A1 ALA 500 H 0.21 0.79 0.33 -0.55 8.40 9.18 2bg5A1 ALA 500 HA 0.12 0.24 0.91 -0.75 4.34 4.85 2bg5A1 ALA 500 HB3 0.22 0.01 0.01 -0.04 1.41 1.61 2bg5A1 CYS 502 HA 0.06 0.11 0.20 -0.75 4.58 4.20 2bg5A1 CYS 502 HB2 0.07 -0.10 -0.06 -0.04 2.97 2.85 2bg5A1 CYS 502 HB3 0.08 0.02 -0.15 -0.04 2.97 2.88 2bg5A1 GLY 503 H 0.04 0.45 0.36 -0.55 8.43 8.73 2bg5A1 GLY 503 HA2 0.05 -0.03 0.65 -0.51 4.01 4.18 2bg5A1 GLY 503 HA3 0.03 -0.35 0.51 -0.51 4.01 3.69 2bg5A1 GLU 504 H 0.05 -0.03 0.12 -0.55 8.60 8.19 2bg5A1 GLU 504 HA 0.05 0.16 0.17 -0.75 4.29 3.92 2bg5A1 GLU 504 HB2 0.07 -0.03 0.10 -0.04 2.09 2.18 2bg5A1 GLU 504 HB3 0.06 0.03 0.10 -0.04 1.99 2.14 2bg5A1 GLU 504 HG2 0.04 0.07 0.06 -0.04 2.34 2.47 2bg5A1 GLU 504 HG3 0.05 -0.08 0.12 -0.04 2.34 2.39 2bg5A1 ALA 506 HA 0.12 -0.08 0.24 -0.75 4.34 3.87 2bg5A1 ALA 506 HB3 0.08 0.04 0.01 -0.04 1.41 1.50 2bg5A1 GLY 507 H 0.09 0.40 -0.46 -0.55 8.43 7.91 2bg5A1 GLY 507 HA2 0.10 0.15 0.68 -0.51 4.01 4.43 2bg5A1 GLY 507 HA3 0.08 -0.03 0.26 -0.51 4.01 3.81 2bg5A1 ASP 508 H 0.12 0.19 -0.18 -0.55 8.40 7.98 2bg5A1 ASP 508 HA 0.09 0.15 0.64 -0.75 4.63 4.75 2bg5A1 ASP 508 HB2 0.12 0.10 -0.02 -0.04 2.71 2.87 2bg5A1 ASP 508 HB3 0.17 -0.03 -0.00 -0.04 2.70 2.80 2bg5A1 PRO 509 HA 0.06 0.13 0.29 -0.51 4.44 4.41 2bg5A1 PRO 509 HB2 0.03 0.04 -0.03 -0.04 2.28 2.28 2bg5A1 PRO 509 HB3 0.03 0.12 0.04 -0.04 2.02 2.16 2bg5A1 PRO 509 HG2 0.03 -0.01 0.08 -0.04 2.03 2.10 2bg5A1 PRO 509 HG3 0.03 0.07 0.08 -0.04 2.03 2.17 2bg5A1 PRO 509 HD2 0.07 0.00 0.24 -0.04 3.68 3.95 2bg5A1 PRO 509 HD3 0.06 0.38 0.31 -0.04 3.65 4.36 2bg5A1 LEU 510 H 0.08 0.06 -0.29 -0.55 8.37 7.68 2bg5A1 LEU 510 HA -0.00 0.12 0.35 -0.75 4.35 4.06 2bg5A1 LEU 510 HB2 0.07 -0.09 0.00 -0.04 1.64 1.58 2bg5A1 LEU 510 HB3 -0.22 0.09 -0.01 -0.04 1.64 1.47 2bg5A1 LEU 510 HG 0.00 -0.07 0.03 -0.04 1.64 1.56 2bg5A1 LEU 510 HD13 -0.16 0.01 0.02 -0.04 0.93 0.76 2bg5A1 LEU 510 HD23 -0.05 0.05 0.05 -0.04 0.89 0.90 2bg5A1 ALA 511 H 0.22 0.22 -0.33 -0.55 8.40 7.97 2bg5A1 ALA 511 HA 0.27 0.08 0.47 -0.75 4.34 4.40 2bg5A1 ALA 511 HB3 0.27 0.02 -0.05 -0.04 1.41 1.61 2bg5A1 ALA 512 H 0.14 0.35 -0.30 -0.55 8.40 8.05 2bg5A1 ALA 512 HA 0.32 0.04 0.19 -0.75 4.34 4.13 2bg5A1 ALA 512 HB3 0.07 0.05 0.01 -0.04 1.41 1.50 2bg5A1 VAL 513 H 0.09 0.24 -0.21 -0.55 8.24 7.81 2bg5A1 VAL 513 HA 0.10 0.09 0.27 -0.75 4.13 3.83 2bg5A1 VAL 513 HB 0.05 0.02 -0.05 -0.04 2.12 2.10 2bg5A1 VAL 513 HG13 0.04 -0.00 -0.08 -0.04 0.97 0.89 2bg5A1 VAL 513 HG23 0.04 0.04 -0.09 -0.04 0.95 0.90 2bg5A1 ILE 514 H 0.11 0.19 -0.35 -0.55 8.25 7.65 2bg5A1 ILE 514 HA 0.07 0.02 0.37 -0.75 4.18 3.89 2bg5A1 ILE 514 HB 0.14 0.12 0.13 -0.04 1.89 2.23 2bg5A1 ILE 514 HG12 0.06 -0.01 -0.08 -0.04 1.49 1.42 2bg5A1 ILE 514 HG13 0.07 0.01 -0.02 -0.04 1.21 1.23 2bg5A1 ILE 514 HG23 0.08 -0.01 -0.15 -0.04 0.93 0.81 2bg5A1 ILE 514 HD13 0.12 -0.00 -0.04 -0.04 0.88 0.92 2bg5A1 LEU 515 H 0.15 0.74 -0.04 -0.55 8.37 8.68 2bg5A1 LEU 515 HA 0.04 -0.02 0.31 -0.75 4.35 3.93 2bg5A1 LEU 515 HB2 0.30 0.14 0.02 -0.04 1.64 2.07 2bg5A1 LEU 515 HB3 -0.28 -0.03 -0.07 -0.04 1.64 1.22 2bg5A1 LEU 515 HG 0.10 0.13 -0.04 -0.04 1.64 1.79 2bg5A1 LEU 515 HD13 -0.01 -0.00 -0.11 -0.04 0.93 0.76 2bg5A1 LEU 515 HD23 -0.05 -0.02 -0.08 -0.04 0.89 0.70 2bg5A1 LEU 516 H 0.28 0.67 -0.17 -0.55 8.37 8.60 2bg5A1 LEU 516 HA 0.37 0.10 0.34 -0.75 4.35 4.40 2bg5A1 LEU 516 HB2 0.22 0.05 0.02 -0.04 1.64 1.89 2bg5A1 LEU 516 HB3 0.19 -0.00 0.10 -0.04 1.64 1.89 2bg5A1 LEU 516 HG 0.34 -0.06 -0.30 -0.04 1.64 1.59 2bg5A1 LEU 516 HD13 0.13 -0.00 -0.07 -0.04 0.93 0.94 2bg5A1 LEU 516 HD23 0.12 -0.02 -0.09 -0.04 0.89 0.86 2bg5A1 GLY 517 H 0.14 0.59 -0.26 -0.55 8.43 8.35 2bg5A1 GLY 517 HA2 0.02 -0.08 0.19 -0.51 4.01 3.63 2bg5A1 GLY 517 HA3 0.04 0.13 0.00 -0.51 4.01 3.67 2bg5A1 LEU 518 H 0.10 0.41 -0.33 -0.55 8.37 8.00 2bg5A1 LEU 518 HA 0.05 0.02 0.52 -0.75 4.35 4.18 2bg5A1 LEU 518 HB2 0.04 0.05 0.04 -0.04 1.64 1.73 2bg5A1 LEU 518 HB3 0.02 -0.06 -0.01 -0.04 1.64 1.54 2bg5A1 LEU 518 HG 0.04 0.16 -0.06 -0.04 1.64 1.74 2bg5A1 LEU 518 HD13 0.01 -0.03 -0.11 -0.04 0.93 0.75 2bg5A1 LEU 518 HD23 0.02 -0.01 -0.05 -0.04 0.89 0.81 2bg5A1 GLY 519 H 0.19 0.39 -0.35 -0.55 8.43 8.12 2bg5A1 GLY 519 HA2 0.28 0.08 0.24 -0.51 4.01 4.09 2bg5A1 GLY 519 HA3 0.26 0.04 0.59 -0.51 4.01 4.39 2bg5A1 LEU 520 H 0.09 0.35 0.01 -0.55 8.37 8.27 2bg5A1 LEU 520 HA 0.03 -0.02 0.42 -0.75 4.35 4.02 2bg5A1 LEU 520 HB2 -0.16 -0.02 0.01 -0.04 1.64 1.43 2bg5A1 LEU 520 HB3 -0.33 -0.02 -0.15 -0.04 1.64 1.09 2bg5A1 LEU 520 HG -0.29 -0.02 -0.22 -0.04 1.64 1.08 2bg5A1 LEU 520 HD13 -0.09 -0.03 -0.09 -0.04 0.93 0.66 2bg5A1 LEU 520 HD23 -1.00 -0.01 -0.12 -0.04 0.89 -0.28 2bg5A1 ASP 521 H 0.14 0.36 0.35 -0.55 8.40 8.71 2bg5A1 ASP 521 HA 0.14 0.20 0.74 -0.75 4.63 4.96 2bg5A1 ASP 521 HB2 0.27 0.08 0.22 -0.04 2.71 3.24 2bg5A1 ASP 521 HB3 0.09 -0.03 0.05 -0.04 2.70 2.76 2bg5A1 GLU 522 H 0.10 0.32 0.27 -0.55 8.60 8.74 2bg5A1 GLU 522 HA 0.17 0.19 0.84 -0.75 4.29 4.74 2bg5A1 GLU 522 HB2 -0.04 0.07 -0.18 -0.04 2.09 1.90 2bg5A1 GLU 522 HB3 0.12 -0.09 0.03 -0.04 1.99 2.01 2bg5A1 GLU 522 HG2 0.08 -0.10 -0.47 -0.04 2.34 1.81 2bg5A1 GLU 522 HG3 0.04 0.12 -0.18 -0.04 2.34 2.29 2bg5A1 PHE 523 H 0.44 0.31 0.13 -0.55 8.34 8.66 2bg5A1 PHE 523 HA 0.05 0.13 0.84 -0.75 4.62 4.89 2bg5A1 PHE 523 HB2 0.02 -0.01 0.09 -0.04 3.15 3.21 2bg5A1 PHE 523 HB3 0.03 0.13 -0.05 -0.04 3.06 3.13 2bg5A1 PHE 523 HD2 0.04 0.04 -0.12 -0.04 7.28 7.20 2bg5A1 PHE 523 HE2 0.05 0.07 -0.17 -0.04 7.38 7.29 2bg5A1 PHE 523 HZ 0.06 -0.03 -0.24 -0.04 7.32 7.07 2bg5A1 SER 524 H 0.10 0.30 0.00 -0.55 8.46 8.32 2bg5A1 SER 524 HA 0.08 0.39 0.70 -0.75 4.49 4.91 2bg5A1 SER 524 HB2 0.07 0.02 -0.27 -0.04 3.95 3.73 2bg5A1 SER 524 HB3 0.07 0.06 -0.07 -0.04 3.93 3.95 2bg5A1 SER 526 HA 0.01 -0.00 0.34 -0.75 4.49 4.09 2bg5A1 SER 526 HB2 0.02 0.00 0.07 -0.04 3.95 4.00 2bg5A1 SER 526 HB3 0.01 -0.09 0.03 -0.04 3.93 3.85 2bg5A1 ALA 527 H -0.00 0.11 0.16 -0.55 8.40 8.12 2bg5A1 ALA 527 HA -0.00 0.16 0.23 -0.75 4.34 3.98 2bg5A1 ALA 527 HB3 -0.02 0.02 0.00 -0.04 1.41 1.38 2bg5A1 THR 528 H 0.00 0.01 -0.18 -0.55 8.28 7.57 2bg5A1 THR 528 HA -0.00 0.13 0.34 -0.75 4.39 4.11 2bg5A1 THR 528 HB 0.00 0.02 0.13 -0.04 4.32 4.42 2bg5A1 THR 528 HG23 -0.00 -0.02 0.03 -0.04 1.22 1.19 2bg5A1 SER 529 H 0.01 0.47 -0.41 -0.55 8.46 7.99 2bg5A1 SER 529 HA 0.01 0.02 0.69 -0.75 4.49 4.46 2bg5A1 SER 529 HB2 0.03 0.27 0.06 -0.04 3.95 4.26 2bg5A1 SER 529 HB3 0.04 0.02 0.10 -0.04 3.93 4.05 2bg5A1 ILE 530 H 0.00 0.61 -0.08 -0.55 8.25 8.22 2bg5A1 ILE 530 HA -0.01 -0.01 0.18 -0.75 4.18 3.59 2bg5A1 ILE 530 HB -0.01 0.13 0.13 -0.04 1.89 2.10 2bg5A1 ILE 530 HG12 -0.00 0.05 -0.24 -0.04 1.49 1.25 2bg5A1 ILE 530 HG13 0.01 -0.06 -0.11 -0.04 1.21 1.01 2bg5A1 ILE 530 HG23 -0.03 0.01 -0.20 -0.04 0.93 0.67 2bg5A1 ILE 530 HD13 0.00 -0.00 -0.10 -0.04 0.88 0.74 2bg5A1 PRO 531 HA -0.02 0.15 0.34 -0.51 4.44 4.40 2bg5A1 PRO 531 HB2 -0.01 -0.03 -0.01 -0.04 2.28 2.19 2bg5A1 PRO 531 HB3 -0.01 -0.01 0.04 -0.04 2.02 1.99 2bg5A1 PRO 531 HG2 -0.01 -0.06 0.06 -0.04 2.03 1.98 2bg5A1 PRO 531 HG3 -0.01 0.16 0.08 -0.04 2.03 2.22 2bg5A1 PRO 531 HD2 -0.00 0.19 -0.34 -0.04 3.68 3.48 2bg5A1 PRO 531 HD3 -0.01 0.22 0.12 -0.04 3.65 3.94 2bg5A1 GLU 532 H -0.01 0.20 -0.27 -0.55 8.60 7.99 2bg5A1 GLU 532 HA -0.01 0.05 0.45 -0.75 4.29 4.03 2bg5A1 GLU 532 HB2 0.00 -0.06 0.11 -0.04 2.09 2.10 2bg5A1 GLU 532 HB3 0.01 0.13 0.13 -0.04 1.99 2.21 2bg5A1 GLU 532 HG2 0.01 0.03 -0.24 -0.04 2.34 2.09 2bg5A1 GLU 532 HG3 0.00 -0.01 0.05 -0.04 2.34 2.35 2bg5A1 ILE 533 H -0.01 0.51 -0.07 -0.55 8.25 8.13 2bg5A1 ILE 533 HA -0.03 -0.02 0.54 -0.75 4.18 3.92 2bg5A1 ILE 533 HB -0.07 0.11 0.03 -0.04 1.89 1.92 2bg5A1 ILE 533 HG12 0.02 0.12 -0.02 -0.04 1.49 1.57 2bg5A1 ILE 533 HG13 0.06 0.17 -0.04 -0.04 1.21 1.36 2bg5A1 ILE 533 HG23 -0.21 -0.01 -0.10 -0.04 0.93 0.56 2bg5A1 ILE 533 HD13 0.05 -0.05 -0.41 -0.04 0.88 0.43 2bg5A1 LYS 534 H -0.06 0.72 -0.08 -0.55 8.42 8.45 2bg5A1 LYS 534 HA -0.10 -0.04 0.44 -0.75 4.32 3.86 2bg5A1 LYS 534 HB2 -0.06 0.10 0.05 -0.04 1.87 1.92 2bg5A1 LYS 534 HB3 -0.04 0.04 0.08 -0.04 1.79 1.83 2bg5A1 LYS 534 HG2 -0.04 -0.06 -0.25 -0.04 1.46 1.06 2bg5A1 LYS 534 HG3 -0.06 -0.11 -0.10 -0.04 1.46 1.15 2bg5A1 LYS 534 HD2 -0.03 -0.12 -0.11 -0.04 1.69 1.39 2bg5A1 LYS 534 HD3 -0.03 0.12 -0.24 -0.04 1.68 1.49 2bg5A1 LYS 534 HE2 -0.04 -0.12 -0.04 -0.04 2.99 2.74 2bg5A1 LYS 534 HE3 -0.04 -0.09 -0.11 -0.04 2.99 2.71 2bg5A1 ASN 535 H -0.03 0.57 -0.19 -0.55 8.53 8.34 2bg5A1 ASN 535 HA -0.02 0.01 0.33 -0.75 4.76 4.33 2bg5A1 ASN 535 HB2 -0.02 0.11 0.17 -0.04 2.88 3.11 2bg5A1 ASN 535 HB3 -0.01 -0.01 -0.03 -0.04 2.79 2.69 2bg5A1 ASN 535 HD21 -0.01 0.21 0.09 -0.04 7.03 7.28 2bg5A1 ASN 535 HD22 -0.01 -0.15 0.01 -0.04 7.74 7.55 2bg5A1 ILE 536 H -0.03 0.31 -0.34 -0.55 8.25 7.63 2bg5A1 ILE 536 HA -0.01 0.14 0.42 -0.75 4.18 3.98 2bg5A1 ILE 536 HB -0.02 0.05 0.15 -0.04 1.89 2.04 2bg5A1 ILE 536 HG12 0.00 0.04 0.00 -0.04 1.49 1.50 2bg5A1 ILE 536 HG13 -0.00 0.08 0.05 -0.04 1.21 1.29 2bg5A1 ILE 536 HG23 0.01 -0.02 -0.19 -0.04 0.93 0.70 2bg5A1 ILE 536 HD13 0.02 -0.03 0.00 -0.04 0.88 0.83 2bg5A1 ILE 537 H -0.07 0.59 -0.05 -0.55 8.25 8.17 2bg5A1 ILE 537 HA -0.02 -0.05 0.26 -0.75 4.18 3.62 2bg5A1 ILE 537 HB -0.10 0.09 -0.02 -0.04 1.89 1.81 2bg5A1 ILE 537 HG12 -0.20 0.29 -0.04 -0.04 1.49 1.50 2bg5A1 ILE 537 HG13 -0.35 -0.01 -0.11 -0.04 1.21 0.70 2bg5A1 ILE 537 HG23 -0.06 -0.02 -0.32 -0.04 0.93 0.49 2bg5A1 ILE 537 HD13 -0.12 -0.05 -0.14 -0.04 0.88 0.53 2bg5A1 ARG 538 H -0.04 0.59 -0.31 -0.55 8.46 8.15 2bg5A1 ARG 538 HA -0.02 0.23 0.40 -0.75 4.34 4.20 2bg5A1 ARG 538 HB2 -0.02 0.08 0.04 -0.04 1.90 1.96 2bg5A1 ARG 538 HB3 -0.02 -0.13 0.12 -0.04 1.80 1.73 2bg5A1 ARG 538 HG2 -0.03 -0.04 0.14 -0.04 1.67 1.70 2bg5A1 ARG 538 HG3 -0.04 0.10 0.09 -0.04 1.67 1.78 2bg5A1 ARG 538 HD2 -0.03 0.16 -0.07 -0.04 3.22 3.24 2bg5A1 ARG 538 HD3 -0.03 -0.03 -0.14 -0.04 3.22 2.98 2bg5A1 ASN 539 H -0.01 0.49 -0.51 -0.55 8.53 7.96 2bg5A1 ASN 539 HA 0.00 0.06 0.98 -0.75 4.76 5.04 2bg5A1 ASN 539 HB2 -0.00 0.24 0.12 -0.04 2.88 3.20 2bg5A1 ASN 539 HB3 0.00 -0.07 0.21 -0.04 2.79 2.89 2bg5A1 ASN 539 HD21 -0.01 -0.10 -0.04 -0.04 7.03 6.84 2bg5A1 ASN 539 HD22 -0.01 0.67 0.09 -0.04 7.74 8.45 2bg5A1 VAL 540 H 0.01 0.43 -0.16 -0.55 8.24 7.98 2bg5A1 VAL 540 HA 0.02 0.12 0.94 -0.75 4.13 4.45 2bg5A1 VAL 540 HB 0.02 0.20 -0.14 -0.04 2.12 2.16 2bg5A1 VAL 540 HG13 0.04 -0.01 -0.06 -0.04 0.97 0.91 2bg5A1 VAL 540 HG23 0.03 -0.02 -0.11 -0.04 0.95 0.81 2bg5A1 GLU 541 H 0.03 0.14 0.10 -0.55 8.60 8.33 2bg5A1 GLU 541 HA 0.06 0.03 0.55 -0.75 4.29 4.18 2bg5A1 GLU 541 HB2 0.03 -0.05 0.14 -0.04 2.09 2.16 2bg5A1 GLU 541 HB3 0.04 -0.13 0.08 -0.04 1.99 1.95 2bg5A1 GLU 541 HG2 0.03 0.05 0.02 -0.04 2.34 2.40 2bg5A1 GLU 541 HG3 0.02 0.11 0.06 -0.04 2.34 2.49 2bg5A1 TYR 542 H 0.18 0.09 0.21 -0.55 8.29 8.22 2bg5A1 TYR 542 HA 0.03 0.19 0.39 -0.75 4.56 4.41 2bg5A1 TYR 542 HB2 0.02 0.05 0.13 -0.04 3.06 3.23 2bg5A1 TYR 542 HB3 0.02 -0.06 0.10 -0.04 2.98 2.99 2bg5A1 TYR 542 HD2 0.04 -0.03 -0.07 -0.04 7.15 7.05 2bg5A1 TYR 542 HE2 0.05 0.19 -0.03 -0.04 6.85 7.02 2bg5A1 GLU 543 H 0.06 0.06 -0.12 -0.55 8.60 8.06 2bg5A1 GLU 543 HA -0.16 0.13 0.43 -0.75 4.29 3.94 2bg5A1 GLU 543 HB2 0.00 -0.05 0.06 -0.04 2.09 2.07 2bg5A1 GLU 543 HB3 -0.03 0.03 -0.00 -0.04 1.99 1.95 2bg5A1 GLU 543 HG2 0.05 -0.03 0.05 -0.04 2.34 2.37 2bg5A1 GLU 543 HG3 0.01 0.02 0.03 -0.04 2.34 2.36 2bg5A1 LYS 544 H -0.00 0.06 -0.35 -0.55 8.42 7.57 2bg5A1 LYS 544 HA -0.02 0.03 0.43 -0.75 4.32 4.00 2bg5A1 LYS 544 HB2 0.00 -0.07 0.07 -0.04 1.87 1.83 2bg5A1 LYS 544 HB3 0.01 0.14 0.08 -0.04 1.79 1.97 2bg5A1 LYS 544 HG2 -0.00 -0.01 -0.08 -0.04 1.46 1.33 2bg5A1 LYS 544 HG3 -0.00 -0.04 0.02 -0.04 1.46 1.39 2bg5A1 LYS 544 HD2 0.01 -0.03 0.02 -0.04 1.69 1.64 2bg5A1 LYS 544 HD3 0.01 0.06 -0.02 -0.04 1.68 1.69 2bg5A1 LYS 544 HE2 0.00 -0.04 -0.06 -0.04 2.99 2.85 2bg5A1 LYS 544 HE3 0.00 -0.06 -0.02 -0.04 2.99 2.87 2bg5A1 ALA 545 H -0.00 0.54 -0.14 -0.55 8.40 8.26 2bg5A1 ALA 545 HA 0.02 0.00 0.46 -0.75 4.34 4.06 2bg5A1 ALA 545 HB3 0.07 0.06 0.05 -0.04 1.41 1.56 2bg5A1 LYS 546 H -0.21 0.63 -0.08 -0.55 8.42 8.20 2bg5A1 LYS 546 HA -0.09 0.14 0.55 -0.75 4.32 4.16 2bg5A1 LYS 546 HB2 -0.21 0.04 0.18 -0.04 1.87 1.85 2bg5A1 LYS 546 HB3 -0.13 -0.06 0.05 -0.04 1.79 1.61 2bg5A1 LYS 546 HG2 -0.29 0.16 0.10 -0.04 1.46 1.39 2bg5A1 LYS 546 HG3 -0.64 -0.00 0.11 -0.04 1.46 0.89 2bg5A1 LYS 546 HD2 -1.59 -0.02 -0.07 -0.04 1.69 -0.02 2bg5A1 LYS 546 HD3 -0.56 -0.08 -0.07 -0.04 1.68 0.94 2bg5A1 LYS 546 HE2 -0.15 -0.03 0.01 -0.04 2.99 2.78 2bg5A1 LYS 546 HE3 -0.13 0.05 -0.01 -0.04 2.99 2.87 2bg5A1 GLU 547 H -0.07 0.43 -0.19 -0.55 8.60 8.23 2bg5A1 GLU 547 HA -0.03 -0.02 0.40 -0.75 4.29 3.89 2bg5A1 GLU 547 HB2 -0.02 0.16 0.17 -0.04 2.09 2.36 2bg5A1 GLU 547 HB3 -0.02 -0.07 -0.01 -0.04 1.99 1.85 2bg5A1 GLU 547 HG2 -0.03 -0.06 0.04 -0.04 2.34 2.25 2bg5A1 GLU 547 HG3 -0.04 0.22 0.10 -0.04 2.34 2.58 2bg5A1 ILE 548 H -0.01 0.59 -0.13 -0.55 8.25 8.14 2bg5A1 ILE 548 HA -0.00 -0.04 0.49 -0.75 4.18 3.88 2bg5A1 ILE 548 HB 0.01 0.14 0.09 -0.04 1.89 2.09 2bg5A1 ILE 548 HG12 -0.00 0.30 0.06 -0.04 1.49 1.81 2bg5A1 ILE 548 HG13 0.01 -0.01 -0.06 -0.04 1.21 1.10 2bg5A1 ILE 548 HG23 0.01 -0.02 -0.16 -0.04 0.93 0.72 2bg5A1 ILE 548 HD13 -0.00 -0.03 -0.03 -0.04 0.88 0.77 2bg5A1 ALA 549 H 0.00 0.81 -0.06 -0.55 8.40 8.61 2bg5A1 ALA 549 HA 0.03 -0.04 0.47 -0.75 4.34 4.05 2bg5A1 ALA 549 HB3 0.02 0.06 0.05 -0.04 1.41 1.50 2bg5A1 GLU 550 H -0.01 0.65 -0.13 -0.55 8.60 8.56 2bg5A1 GLU 550 HA 0.00 0.02 0.46 -0.75 4.29 4.01 2bg5A1 GLU 550 HB2 -0.01 0.14 0.15 -0.04 2.09 2.33 2bg5A1 GLU 550 HB3 -0.01 -0.10 -0.01 -0.04 1.99 1.84 2bg5A1 GLU 550 HG2 -0.01 -0.05 0.01 -0.04 2.34 2.25 2bg5A1 GLU 550 HG3 -0.02 0.29 0.05 -0.04 2.34 2.62 2bg5A1 LYS 551 H -0.00 0.56 -0.13 -0.55 8.42 8.29 2bg5A1 LYS 551 HA -0.00 -0.03 0.41 -0.75 4.32 3.94 2bg5A1 LYS 551 HB2 -0.00 0.13 0.19 -0.04 1.87 2.15 2bg5A1 LYS 551 HB3 -0.01 -0.07 0.00 -0.04 1.79 1.68 2bg5A1 LYS 551 HG2 -0.01 -0.08 0.03 -0.04 1.46 1.36 2bg5A1 LYS 551 HG3 -0.01 0.23 0.08 -0.04 1.46 1.72 2bg5A1 LYS 551 HD2 -0.01 0.02 -0.02 -0.04 1.69 1.64 2bg5A1 LYS 551 HD3 -0.01 -0.06 -0.01 -0.04 1.68 1.56 2bg5A1 LYS 551 HE2 -0.01 0.01 -0.10 -0.04 2.99 2.86 2bg5A1 LYS 551 HE3 -0.01 -0.05 -0.04 -0.04 2.99 2.86 2bg5A1 ALA 552 H 0.01 0.65 -0.16 -0.55 8.40 8.36 2bg5A1 ALA 552 HA 0.00 -0.02 0.37 -0.75 4.34 3.95 2bg5A1 ALA 552 HB3 0.03 0.02 0.08 -0.04 1.41 1.49 2bg5A1 LEU 553 H 0.01 0.45 -0.36 -0.55 8.37 7.92 2bg5A1 LEU 553 HA 0.02 -0.01 0.44 -0.75 4.35 4.05 2bg5A1 LEU 553 HB2 0.01 0.12 0.14 -0.04 1.64 1.86 2bg5A1 LEU 553 HB3 0.01 -0.10 0.03 -0.04 1.64 1.54 2bg5A1 LEU 553 HG 0.02 0.13 -0.01 -0.04 1.64 1.74 2bg5A1 LEU 553 HD13 0.01 -0.03 -0.08 -0.04 0.93 0.79 2bg5A1 LEU 553 HD23 0.02 -0.01 -0.09 -0.04 0.89 0.76 2bg5A1 ASN 554 H 0.00 0.36 -0.56 -0.55 8.53 7.79 2bg5A1 ASN 554 HA 0.00 0.06 0.52 -0.75 4.76 4.58 2bg5A1 ASN 554 HB2 -0.00 0.21 0.19 -0.04 2.88 3.23 2bg5A1 ASN 554 HB3 -0.00 -0.12 0.11 -0.04 2.79 2.73 2bg5A1 ASN 554 HD21 -0.00 -0.09 -0.06 -0.04 7.03 6.83 2bg5A1 ASN 554 HD22 -0.00 -0.03 -0.09 -0.04 7.74 7.59 2bg5A1 SER 556 HA -0.03 0.01 0.14 -0.75 4.49 3.86 2bg5A1 SER 556 HB2 -0.03 -0.07 0.01 -0.04 3.95 3.83 2bg5A1 SER 556 HB3 -0.03 -0.05 0.11 -0.04 3.93 3.91 2bg5A1 GLU 557 H -0.04 0.34 0.18 -0.55 8.60 8.54 2bg5A1 GLU 557 HA -0.11 0.20 1.11 -0.75 4.29 4.73 2bg5A1 GLU 557 HB2 -0.04 -0.04 0.10 -0.04 2.09 2.07 2bg5A1 GLU 557 HB3 -0.05 -0.16 0.04 -0.04 1.99 1.78 2bg5A1 GLU 557 HG2 -0.05 0.04 -0.03 -0.04 2.34 2.26 2bg5A1 GLU 557 HG3 -0.04 0.05 -0.40 -0.04 2.34 1.90 2bg5A1 ALA 558 H -0.10 0.19 0.16 -0.55 8.40 8.11 2bg5A1 ALA 558 HA 0.04 0.34 0.31 -0.75 4.34 4.27 2bg5A1 ALA 558 HB3 0.03 -0.01 -0.08 -0.04 1.41 1.31 2bg5A1 ARG 559 H -0.03 0.08 -0.18 -0.55 8.46 7.78 2bg5A1 ARG 559 HA -0.04 0.12 0.35 -0.75 4.34 4.02 2bg5A1 ARG 559 HB2 -0.03 0.05 0.07 -0.04 1.90 1.94 2bg5A1 ARG 559 HB3 -0.02 -0.00 0.05 -0.04 1.80 1.79 2bg5A1 ARG 559 HG2 -0.03 -0.05 -0.01 -0.04 1.67 1.55 2bg5A1 ARG 559 HG3 -0.03 0.06 -0.25 -0.04 1.67 1.41 2bg5A1 ARG 559 HD2 -0.02 0.00 -0.01 -0.04 3.22 3.15 2bg5A1 ARG 559 HD3 -0.02 0.00 -0.04 -0.04 3.22 3.12 2bg5A1 GLU 560 H -0.04 0.08 -0.31 -0.55 8.60 7.79 2bg5A1 GLU 560 HA -0.04 0.06 0.64 -0.75 4.29 4.20 2bg5A1 GLU 560 HB2 -0.03 0.09 0.13 -0.04 2.09 2.24 2bg5A1 GLU 560 HB3 -0.03 0.05 0.02 -0.04 1.99 1.99 2bg5A1 GLU 560 HG2 -0.03 -0.10 -0.00 -0.04 2.34 2.17 2bg5A1 GLU 560 HG3 -0.02 0.04 0.01 -0.04 2.34 2.32 2bg5A1 ILE 561 H -0.04 0.42 -0.08 -0.55 8.25 8.01 2bg5A1 ILE 561 HA -0.05 0.04 0.43 -0.75 4.18 3.85 2bg5A1 ILE 561 HB -0.01 0.02 0.20 -0.04 1.89 2.06 2bg5A1 ILE 561 HG12 0.00 0.03 0.10 -0.04 1.49 1.58 2bg5A1 ILE 561 HG13 -0.01 -0.01 0.09 -0.04 1.21 1.24 2bg5A1 ILE 561 HG23 -0.02 -0.01 -0.10 -0.04 0.93 0.76 2bg5A1 ILE 561 HD13 0.05 0.02 -0.03 -0.04 0.88 0.88 2bg5A1 GLU 562 H -0.12 0.60 -0.08 -0.55 8.60 8.46 2bg5A1 GLU 562 HA -0.39 0.03 0.41 -0.75 4.29 3.58 2bg5A1 GLU 562 HB2 -0.10 -0.02 0.11 -0.04 2.09 2.04 2bg5A1 GLU 562 HB3 -0.15 -0.05 -0.02 -0.04 1.99 1.74 2bg5A1 GLU 562 HG2 -0.44 -0.03 -0.01 -0.04 2.34 1.81 2bg5A1 GLU 562 HG3 -0.23 0.11 0.03 -0.04 2.34 2.20 2bg5A1 LYS 563 H -0.08 0.41 -0.32 -0.55 8.42 7.88 2bg5A1 LYS 563 HA -0.06 -0.00 0.17 -0.75 4.32 3.67 2bg5A1 LYS 563 HB2 -0.04 -0.08 0.08 -0.04 1.87 1.79 2bg5A1 LYS 563 HB3 -0.04 0.13 0.19 -0.04 1.79 2.02 2bg5A1 LYS 563 HG2 -0.03 0.03 0.10 -0.04 1.46 1.51 2bg5A1 LYS 563 HG3 -0.03 -0.05 0.11 -0.04 1.46 1.45 2bg5A1 LYS 563 HD2 -0.02 -0.04 0.03 -0.04 1.69 1.61 2bg5A1 LYS 563 HD3 -0.03 -0.03 0.02 -0.04 1.68 1.60 2bg5A1 LYS 563 HE2 -0.03 0.01 0.02 -0.04 2.99 2.96 2bg5A1 LYS 563 HE3 -0.02 0.04 0.04 -0.04 2.99 3.00 2bg5A1 LYS 566 HA -0.04 -0.09 0.32 -0.75 4.32 3.75 2bg5A1 LYS 566 HB2 -0.05 0.13 -0.75 -0.04 1.87 1.16 2bg5A1 LYS 566 HB3 -0.03 -0.10 -0.12 -0.04 1.79 1.50 2bg5A1 LYS 566 HG2 -0.05 -0.09 -0.01 -0.04 1.46 1.27 2bg5A1 LYS 566 HG3 -0.09 0.28 -0.03 -0.04 1.46 1.58 2bg5A1 LYS 566 HD2 -0.05 -0.01 -0.19 -0.04 1.69 1.40 2bg5A1 LYS 566 HD3 -0.03 -0.06 -0.09 -0.04 1.68 1.46 2bg5A1 LYS 566 HE2 -0.04 -0.02 -0.04 -0.04 2.99 2.84 2bg5A1 LYS 566 HE3 -0.06 -0.00 -0.10 -0.04 2.99 2.78 2bg5A1 ASP 567 H -0.04 0.61 0.40 -0.55 8.40 8.82 2bg5A1 ASP 567 HA -0.02 0.00 0.57 -0.75 4.63 4.43 2bg5A1 ASP 567 HB2 -0.02 0.02 0.08 -0.04 2.71 2.74 2bg5A1 ASP 567 HB3 -0.02 -0.06 0.02 -0.04 2.70 2.61 2bg5A1 VAL 568 H -0.02 0.22 -0.17 -0.55 8.24 7.72 2bg5A1 VAL 568 HA -0.01 0.03 0.35 -0.75 4.13 3.75 2bg5A1 VAL 568 HB -0.01 0.04 0.01 -0.04 2.12 2.12 2bg5A1 VAL 568 HG13 0.01 0.02 -0.21 -0.04 0.97 0.74 2bg5A1 VAL 568 HG23 -0.01 -0.01 -0.02 -0.04 0.95 0.87 2bg5A1 ILE 569 H -0.01 0.11 -0.34 -0.55 8.25 7.46 2bg5A1 ILE 569 HA 0.00 0.23 0.39 -0.75 4.18 4.05 2bg5A1 ILE 569 HB -0.01 0.04 0.04 -0.04 1.89 1.92 2bg5A1 ILE 569 HG12 -0.00 -0.03 -0.04 -0.04 1.49 1.38 2bg5A1 ILE 569 HG13 0.00 -0.11 -0.19 -0.04 1.21 0.87 2bg5A1 ILE 569 HG23 0.00 -0.01 -0.11 -0.04 0.93 0.77 2bg5A1 ILE 569 HD13 0.01 0.06 -0.07 -0.04 0.88 0.84 2bg5A1 LYS 570 H -0.01 0.41 -0.19 -0.55 8.42 8.07 2bg5A1 LYS 570 HA -0.01 0.03 0.56 -0.75 4.32 4.15 2bg5A1 LYS 570 HB2 -0.01 0.08 0.20 -0.04 1.87 2.10 2bg5A1 LYS 570 HB3 -0.01 -0.09 0.00 -0.04 1.79 1.66 2bg5A1 LYS 570 HG2 -0.01 -0.08 0.03 -0.04 1.46 1.36 2bg5A1 LYS 570 HG3 -0.01 0.28 0.07 -0.04 1.46 1.76 2bg5A1 LYS 570 HD2 -0.01 -0.00 0.03 -0.04 1.69 1.66 2bg5A1 LYS 570 HD3 -0.01 -0.07 -0.00 -0.04 1.68 1.56 2bg5A1 LYS 570 HE2 -0.02 0.06 -0.11 -0.04 2.99 2.88 2bg5A1 LYS 570 HE3 -0.01 -0.06 -0.04 -0.04 2.99 2.84 2bg5A1 ASP 571 H -0.01 0.58 -0.01 -0.55 8.40 8.41 2bg5A1 ASP 571 HA -0.00 -0.10 0.39 -0.75 4.63 4.16 2bg5A1 ASP 571 HB2 -0.00 0.11 0.12 -0.04 2.71 2.90 2bg5A1 ASP 571 HB3 -0.00 -0.04 0.05 -0.04 2.70 2.67 2bg5A1 ILE 572 H -0.00 -0.06 -1.31 -0.55 8.25 6.33 2bg5A1 ILE 572 HA -0.00 0.22 0.06 -0.75 4.18 3.71 2bg5A1 ILE 572 HB -0.00 -0.02 -0.30 -0.04 1.89 1.53 2bg5A1 ILE 572 HG12 -0.00 0.01 0.02 -0.04 1.49 1.48 2bg5A1 ILE 572 HG13 -0.00 0.12 0.05 -0.04 1.21 1.34 2bg5A1 ILE 572 HG23 -0.00 0.01 0.10 -0.04 0.93 1.00 2bg5A1 ILE 572 HD13 -0.00 -0.06 0.01 -0.04 0.88 0.78