============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 18 1.040 -37.677 -28.205 19.179 -99.200 -91.000 TRP6 18 1.020 -37.001 -30.336 19.897 -99.200 -91.000 PHE 23 1.000 -36.962 -25.998 6.707 -99.200 -91.000 TYR 49 0.840 -30.430 -26.102 0.032 -99.200 -91.000 TYR 72 0.840 -29.818 -12.477 -1.359 -99.200 -91.000 HIS 76 0.900 -27.041 -24.357 8.134 -99.200 -91.000 TYR 89 0.840 -23.876 -20.592 4.595 -99.200 -91.000 TYR 111 0.840 -16.489 -15.639 10.417 -99.200 -91.000 HIS 113 0.900 -20.229 -11.222 3.640 -99.200 -91.000 TYR 131 0.840 -40.776 -8.584 37.348 -99.200 -91.000 HIS 145 0.900 -23.303 -20.421 41.186 -99.200 -91.000 TYR 150 0.840 -29.038 -21.604 31.359 -99.200 -91.000 PHE 171 1.000 -27.222 -17.236 51.090 -99.200 -91.000 PHE 172 1.000 -22.628 -15.724 43.137 -99.200 -91.000 PHE 182 1.000 -31.139 -29.037 46.502 -99.200 -91.000 PHE 196 1.000 -36.143 -12.451 43.687 -99.200 -91.000 TYR 198 0.840 -31.421 -15.354 38.623 -99.200 -91.000 TYR 199 0.840 -30.912 -23.081 40.978 -99.200 -91.000 TYR 202 0.840 -29.738 -26.303 32.809 -99.200 -91.000 TYR 203 0.840 -36.253 -30.195 34.149 -99.200 -91.000 PHE 222 1.000 -36.969 -20.483 46.227 -99.200 -91.000 TYR 252 0.840 -41.672 -12.754 20.192 -99.200 -91.000 TYR 276 0.840 -36.306 -22.344 17.686 -99.200 -91.000 TRP 278 1.040 -44.612 -16.665 16.601 -99.200 -91.000 TRP6 278 1.020 -46.197 -15.530 15.272 -99.200 -91.000 TYR 281 0.840 -44.068 -13.595 9.067 -99.200 -91.000 TRP 320 1.040 -29.717 -7.507 13.618 -99.200 -91.000 TRP6 320 1.020 -31.526 -6.705 12.335 -99.200 -91.000 PHE 329 1.000 -34.783 -10.870 21.521 -99.200 -91.000 PHE 331 1.000 -34.794 -15.255 26.882 -99.200 -91.000 PHE 334 1.000 -43.770 -15.500 29.734 -99.200 -91.000 TRP 336 1.040 -44.383 -22.843 36.030 -99.200 -91.000 TRP6 336 1.020 -43.420 -22.522 33.901 -99.200 -91.000 HIS 337 0.900 -50.178 -19.357 37.353 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2lbpA1 ASP 1 HA 0.01 -0.01 0.13 -0.75 4.63 4.00 2lbpA1 ASP 1 HB2 0.01 -0.01 0.01 -0.04 2.71 2.68 2lbpA1 ASP 1 HB3 0.00 0.03 0.08 -0.04 2.70 2.77 2lbpA1 ASP 2 H 0.02 0.41 -0.04 -0.55 8.40 8.23 2lbpA1 ASP 2 HA 0.01 0.15 0.81 -0.75 4.63 4.85 2lbpA1 ASP 2 HB2 0.01 0.00 0.14 -0.04 2.71 2.82 2lbpA1 ASP 2 HB3 0.01 -0.05 0.09 -0.04 2.70 2.71 2lbpA1 ILE 3 H 0.01 0.28 0.02 -0.55 8.25 8.02 2lbpA1 ILE 3 HA 0.07 0.04 0.63 -0.75 4.18 4.17 2lbpA1 ILE 3 HB -0.01 -0.08 -0.01 -0.04 1.89 1.75 2lbpA1 ILE 3 HG12 0.03 0.04 -0.07 -0.04 1.49 1.44 2lbpA1 ILE 3 HG13 0.00 -0.01 -0.14 -0.04 1.21 1.03 2lbpA1 ILE 3 HG23 0.03 0.01 -0.13 -0.04 0.93 0.79 2lbpA1 ILE 3 HD13 -0.03 0.01 -0.10 -0.04 0.88 0.72 2lbpA1 LYS 4 H 0.09 0.16 0.27 -0.55 8.42 8.39 2lbpA1 LYS 4 HA 0.05 0.20 0.71 -0.75 4.32 4.53 2lbpA1 LYS 4 HB2 0.05 0.03 0.24 -0.04 1.87 2.15 2lbpA1 LYS 4 HB3 0.05 -0.05 0.04 -0.04 1.79 1.79 2lbpA1 LYS 4 HG2 0.03 -0.05 -0.03 -0.04 1.46 1.38 2lbpA1 LYS 4 HG3 0.03 0.03 -0.04 -0.04 1.46 1.44 2lbpA1 LYS 4 HD2 0.02 0.02 0.01 -0.04 1.69 1.71 2lbpA1 LYS 4 HD3 0.03 0.04 0.03 -0.04 1.68 1.73 2lbpA1 LYS 4 HE2 0.03 0.10 -0.00 -0.04 2.99 3.07 2lbpA1 LYS 4 HE3 0.02 -0.07 -0.03 -0.04 2.99 2.87 2lbpA1 VAL 5 H 0.06 0.62 0.42 -0.55 8.24 8.80 2lbpA1 VAL 5 HA 0.15 0.17 0.98 -0.75 4.13 4.68 2lbpA1 VAL 5 HB 0.04 -0.10 -0.37 -0.04 2.12 1.64 2lbpA1 VAL 5 HG13 0.04 0.01 -0.14 -0.04 0.97 0.83 2lbpA1 VAL 5 HG23 0.01 0.03 -0.13 -0.04 0.95 0.82 2lbpA1 ALA 6 H 0.06 0.69 0.33 -0.55 8.40 8.93 2lbpA1 ALA 6 HA 0.18 0.21 0.69 -0.75 4.34 4.66 2lbpA1 ALA 6 HB3 0.10 -0.01 -0.02 -0.04 1.41 1.44 2lbpA1 VAL 7 H 0.18 0.91 0.41 -0.55 8.24 9.19 2lbpA1 VAL 7 HA -0.05 0.32 0.87 -0.75 4.13 4.51 2lbpA1 VAL 7 HB 0.17 -0.03 0.14 -0.04 2.12 2.36 2lbpA1 VAL 7 HG13 -0.36 -0.00 -0.01 -0.04 0.97 0.55 2lbpA1 VAL 7 HG23 0.01 0.03 -0.19 -0.04 0.95 0.76 2lbpA1 VAL 8 H -0.13 0.46 0.17 -0.55 8.24 8.20 2lbpA1 VAL 8 HA 0.16 0.27 0.87 -0.75 4.13 4.68 2lbpA1 VAL 8 HB -0.67 -0.14 -0.05 -0.04 2.12 1.22 2lbpA1 VAL 8 HG13 -0.49 -0.03 -0.19 -0.04 0.97 0.22 2lbpA1 VAL 8 HG23 -0.13 0.07 -0.37 -0.04 0.95 0.48 2lbpA1 GLY 9 H 0.23 0.61 0.35 -0.55 8.43 9.07 2lbpA1 GLY 9 HA2 0.04 -0.20 0.47 -0.51 4.01 3.81 2lbpA1 GLY 9 HA3 0.01 0.23 0.37 -0.51 4.01 4.10 2lbpA1 ALA 10 H 0.13 0.22 0.13 -0.55 8.40 8.33 2lbpA1 ALA 10 HA 0.13 -0.20 0.85 -0.75 4.34 4.37 2lbpA1 ALA 10 HB3 0.12 0.01 -0.11 -0.04 1.41 1.38 2lbpA1 MET 11 H 0.08 0.09 0.27 -0.55 8.47 8.36 2lbpA1 MET 11 HA 0.04 0.23 0.75 -0.75 4.52 4.79 2lbpA1 MET 11 HB2 -0.16 0.12 0.12 -0.04 2.15 2.18 2lbpA1 MET 11 HB3 -0.29 0.09 0.00 -0.04 2.03 1.79 2lbpA1 MET 11 HG2 -0.41 0.07 -0.20 -0.04 2.63 2.05 2lbpA1 MET 11 HG3 -0.07 -0.17 0.00 -0.04 2.56 2.28 2lbpA1 MET 11 HE3 -0.44 0.08 -0.35 -0.04 2.10 1.34 2lbpA1 SER 12 H 0.06 -0.32 0.03 -0.55 8.46 7.68 2lbpA1 SER 12 HA 0.02 0.29 0.66 -0.75 4.49 4.70 2lbpA1 SER 12 HB2 0.01 0.12 0.10 -0.04 3.95 4.14 2lbpA1 SER 12 HB3 0.00 0.08 -0.11 -0.04 3.93 3.87 2lbpA1 GLY 13 H 0.07 -0.15 0.08 -0.55 8.43 7.89 2lbpA1 GLY 13 HA2 0.05 0.22 0.48 -0.51 4.01 4.24 2lbpA1 GLY 13 HA3 0.07 0.04 0.53 -0.51 4.01 4.14 2lbpA1 PRO 14 HA 0.08 0.23 0.60 -0.51 4.44 4.84 2lbpA1 PRO 14 HB2 0.15 0.02 0.04 -0.04 2.28 2.45 2lbpA1 PRO 14 HB3 0.08 0.11 0.12 -0.04 2.02 2.30 2lbpA1 PRO 14 HG2 0.07 0.07 0.10 -0.04 2.03 2.23 2lbpA1 PRO 14 HG3 0.06 0.12 0.09 -0.04 2.03 2.26 2lbpA1 PRO 14 HD2 0.10 0.01 0.25 -0.04 3.68 4.00 2lbpA1 PRO 14 HD3 0.06 0.16 0.30 -0.04 3.65 4.14 2lbpA1 ILE 15 H 0.17 0.13 -0.09 -0.55 8.25 7.91 2lbpA1 ILE 15 HA 0.81 0.24 0.57 -0.75 4.18 5.05 2lbpA1 ILE 15 HB 0.16 -0.08 0.00 -0.04 1.89 1.94 2lbpA1 ILE 15 HG12 0.11 0.04 0.07 -0.04 1.49 1.68 2lbpA1 ILE 15 HG13 0.04 -0.01 0.06 -0.04 1.21 1.26 2lbpA1 ILE 15 HG23 0.16 -0.02 0.10 -0.04 0.93 1.13 2lbpA1 ILE 15 HD13 0.03 0.04 -0.05 -0.04 0.88 0.86 2lbpA1 ALA 16 H 0.13 0.30 -0.82 -0.55 8.40 7.47 2lbpA1 ALA 16 HA 0.13 0.12 0.30 -0.75 4.34 4.13 2lbpA1 ALA 16 HB3 0.04 0.03 -0.30 -0.04 1.41 1.14 2lbpA1 GLN 17 H -0.16 0.00 -0.37 -0.55 8.47 7.39 2lbpA1 GLN 17 HA -0.15 0.17 0.44 -0.75 4.36 4.07 2lbpA1 GLN 17 HB2 -0.36 0.04 0.15 -0.04 2.15 1.95 2lbpA1 GLN 17 HB3 -0.33 0.06 0.06 -0.04 2.02 1.77 2lbpA1 GLN 17 HG2 -1.67 -0.03 -0.26 -0.04 2.40 0.41 2lbpA1 GLN 17 HG3 -0.80 0.05 -0.01 -0.04 2.39 1.59 2lbpA1 GLN 17 HE21 -0.56 0.17 0.08 -0.04 6.97 6.62 2lbpA1 GLN 17 HE22 -1.68 -0.02 -0.00 -0.04 7.69 5.95 2lbpA1 TRP 18 H 0.19 0.28 -0.48 -0.55 7.97 7.40 2lbpA1 TRP 18 HA 0.10 0.15 0.83 -0.75 4.62 4.95 2lbpA1 TRP 18 HB2 -0.00 0.21 0.21 -0.04 3.23 3.61 2lbpA1 TRP 18 HB3 -0.07 -0.05 0.11 -0.04 3.23 3.17 2lbpA1 TRP 18 HD1 0.28 -0.04 0.06 -0.04 7.22 7.49 2lbpA1 TRP 18 HE1 0.12 0.04 0.00 -0.04 10.20 10.32 2lbpA1 TRP 18 HE3 0.03 -0.09 0.14 -0.04 7.59 7.62 2lbpA1 TRP 18 HZ2 0.06 0.03 0.00 -0.04 7.44 7.48 2lbpA1 TRP 18 HZ3 0.03 0.09 -0.02 -0.04 7.13 7.19 2lbpA1 TRP 18 HH2 0.04 0.03 0.00 -0.04 7.19 7.22 2lbpA1 GLY 19 H 0.21 0.18 0.10 -0.55 8.43 8.36 2lbpA1 GLY 19 HA2 0.10 -0.06 0.42 -0.51 4.01 3.95 2lbpA1 GLY 19 HA3 0.23 0.51 0.38 -0.51 4.01 4.62 2lbpA1 ILE 20 H 0.11 0.40 -0.19 -0.55 8.25 8.02 2lbpA1 ILE 20 HA 0.16 0.05 0.38 -0.75 4.18 4.01 2lbpA1 ILE 20 HB 0.01 -0.02 0.09 -0.04 1.89 1.93 2lbpA1 ILE 20 HG12 0.04 -0.04 0.06 -0.04 1.49 1.50 2lbpA1 ILE 20 HG13 -0.01 0.01 0.01 -0.04 1.21 1.18 2lbpA1 ILE 20 HG23 0.01 0.02 -0.10 -0.04 0.93 0.82 2lbpA1 ILE 20 HD13 0.00 0.01 0.02 -0.04 0.88 0.87 2lbpA1 MET 21 H 0.11 0.18 -0.48 -0.55 8.47 7.73 2lbpA1 MET 21 HA 0.05 0.13 0.28 -0.75 4.52 4.22 2lbpA1 MET 21 HB2 0.27 0.13 0.03 -0.04 2.15 2.55 2lbpA1 MET 21 HB3 0.16 -0.15 -0.12 -0.04 2.03 1.88 2lbpA1 MET 21 HG2 0.08 0.04 0.05 -0.04 2.63 2.76 2lbpA1 MET 21 HG3 0.08 0.10 0.05 -0.04 2.56 2.74 2lbpA1 MET 21 HE3 0.09 0.02 0.07 -0.04 2.10 2.24 2lbpA1 GLU 22 H 0.08 0.21 -0.28 -0.55 8.60 8.07 2lbpA1 GLU 22 HA 0.01 0.20 0.40 -0.75 4.29 4.14 2lbpA1 GLU 22 HB2 -0.09 0.04 0.06 -0.04 2.09 2.06 2lbpA1 GLU 22 HB3 -0.01 -0.04 0.06 -0.04 1.99 1.96 2lbpA1 GLU 22 HG2 -0.14 0.00 -0.04 -0.04 2.34 2.12 2lbpA1 GLU 22 HG3 -0.17 -0.08 0.05 -0.04 2.34 2.10 2lbpA1 PHE 23 H 0.08 0.76 -0.02 -0.55 8.34 8.60 2lbpA1 PHE 23 HA -0.00 0.00 0.23 -0.75 4.62 4.10 2lbpA1 PHE 23 HB2 -0.00 0.05 0.08 -0.04 3.15 3.23 2lbpA1 PHE 23 HB3 -0.01 0.03 -0.03 -0.04 3.06 3.01 2lbpA1 PHE 23 HD2 0.00 0.13 -0.11 -0.04 7.28 7.26 2lbpA1 PHE 23 HE2 0.01 -0.04 -0.24 -0.04 7.38 7.07 2lbpA1 PHE 23 HZ 0.02 0.17 -0.05 -0.04 7.32 7.42 2lbpA1 ASN 24 H 0.13 0.46 -0.20 -0.55 8.53 8.38 2lbpA1 ASN 24 HA 0.03 -0.00 0.33 -0.75 4.76 4.37 2lbpA1 ASN 24 HB2 0.06 0.81 0.28 -0.04 2.88 3.99 2lbpA1 ASN 24 HB3 -0.01 0.19 0.02 -0.04 2.79 2.95 2lbpA1 ASN 24 HD21 -0.02 -0.04 -0.15 -0.04 7.03 6.77 2lbpA1 ASN 24 HD22 -0.06 0.05 -0.26 -0.04 7.74 7.43 2lbpA1 GLY 25 H -0.02 0.43 -0.28 -0.55 8.43 8.01 2lbpA1 GLY 25 HA2 -0.07 -0.00 0.57 -0.51 4.01 4.00 2lbpA1 GLY 25 HA3 -0.05 0.16 0.41 -0.51 4.01 4.02 2lbpA1 ALA 26 H -0.05 0.61 -0.05 -0.55 8.40 8.36 2lbpA1 ALA 26 HA -0.09 0.04 0.39 -0.75 4.34 3.92 2lbpA1 ALA 26 HB3 -0.07 0.01 0.10 -0.04 1.41 1.42 2lbpA1 GLU 27 H 0.01 0.61 0.04 -0.55 8.60 8.71 2lbpA1 GLU 27 HA -0.01 -0.02 0.36 -0.75 4.29 3.87 2lbpA1 GLU 27 HB2 0.02 0.10 0.04 -0.04 2.09 2.21 2lbpA1 GLU 27 HB3 0.01 0.01 -0.08 -0.04 1.99 1.89 2lbpA1 GLU 27 HG2 0.03 -0.02 0.02 -0.04 2.34 2.33 2lbpA1 GLU 27 HG3 0.07 0.03 0.05 -0.04 2.34 2.46 2lbpA1 GLN 28 H -0.01 0.43 -0.30 -0.55 8.47 8.05 2lbpA1 GLN 28 HA 0.02 0.03 0.47 -0.75 4.36 4.12 2lbpA1 GLN 28 HB2 0.02 0.14 0.14 -0.04 2.15 2.41 2lbpA1 GLN 28 HB3 0.15 0.07 0.06 -0.04 2.02 2.25 2lbpA1 GLN 28 HG2 0.04 0.02 -0.00 -0.04 2.40 2.42 2lbpA1 GLN 28 HG3 0.17 -0.05 0.01 -0.04 2.39 2.48 2lbpA1 GLN 28 HE21 0.04 0.02 0.01 -0.04 6.97 7.01 2lbpA1 GLN 28 HE22 0.08 -0.03 0.03 -0.04 7.69 7.73 2lbpA1 ALA 29 H -0.17 0.36 -0.37 -0.55 8.40 7.67 2lbpA1 ALA 29 HA -0.89 -0.02 0.43 -0.75 4.34 3.11 2lbpA1 ALA 29 HB3 -0.46 0.16 0.25 -0.04 1.41 1.33 2lbpA1 ILE 30 H -0.12 0.51 0.07 -0.55 8.25 8.15 2lbpA1 ILE 30 HA -0.08 0.02 0.45 -0.75 4.18 3.81 2lbpA1 ILE 30 HB -0.05 -0.02 0.01 -0.04 1.89 1.79 2lbpA1 ILE 30 HG12 -0.03 0.05 -0.01 -0.04 1.49 1.46 2lbpA1 ILE 30 HG13 -0.02 0.17 -0.03 -0.04 1.21 1.29 2lbpA1 ILE 30 HG23 -0.05 0.00 -0.10 -0.04 0.93 0.74 2lbpA1 ILE 30 HD13 -0.01 -0.04 0.01 -0.04 0.88 0.80 2lbpA1 LYS 31 H -0.04 0.51 -0.16 -0.55 8.42 8.17 2lbpA1 LYS 31 HA -0.01 -0.03 0.25 -0.75 4.32 3.77 2lbpA1 LYS 31 HB2 0.00 0.13 0.14 -0.04 1.87 2.10 2lbpA1 LYS 31 HB3 0.01 -0.05 -0.03 -0.04 1.79 1.68 2lbpA1 LYS 31 HG2 -0.00 -0.07 0.05 -0.04 1.46 1.40 2lbpA1 LYS 31 HG3 -0.01 0.24 0.15 -0.04 1.46 1.80 2lbpA1 LYS 31 HD2 0.01 -0.02 -0.03 -0.04 1.69 1.61 2lbpA1 LYS 31 HD3 0.01 -0.03 -0.00 -0.04 1.68 1.62 2lbpA1 LYS 31 HE2 0.00 -0.02 -0.02 -0.04 2.99 2.91 2lbpA1 LYS 31 HE3 0.00 -0.02 -0.05 -0.04 2.99 2.87 2lbpA1 ASP 32 H -0.02 0.62 -0.07 -0.55 8.40 8.39 2lbpA1 ASP 32 HA 0.04 -0.01 0.41 -0.75 4.63 4.30 2lbpA1 ASP 32 HB2 0.04 0.06 0.06 -0.04 2.71 2.82 2lbpA1 ASP 32 HB3 0.10 -0.06 -0.02 -0.04 2.70 2.68 2lbpA1 ILE 33 H -0.05 0.49 -0.25 -0.55 8.25 7.89 2lbpA1 ILE 33 HA -0.00 0.05 0.64 -0.75 4.18 4.11 2lbpA1 ILE 33 HB -0.06 0.05 0.12 -0.04 1.89 1.96 2lbpA1 ILE 33 HG12 -0.03 -0.08 -0.01 -0.04 1.49 1.32 2lbpA1 ILE 33 HG13 -0.12 0.46 0.14 -0.04 1.21 1.64 2lbpA1 ILE 33 HG23 -0.03 -0.03 -0.18 -0.04 0.93 0.64 2lbpA1 ILE 33 HD13 -0.09 -0.04 -0.14 -0.04 0.88 0.57 2lbpA1 ASN 34 H -0.03 0.96 0.15 -0.55 8.53 9.07 2lbpA1 ASN 34 HA -0.01 -0.01 0.65 -0.75 4.76 4.63 2lbpA1 ASN 34 HB2 -0.01 0.02 0.14 -0.04 2.88 3.00 2lbpA1 ASN 34 HB3 -0.02 -0.12 0.10 -0.04 2.79 2.71 2lbpA1 ASN 34 HD21 -0.01 -0.05 -0.06 -0.04 7.03 6.86 2lbpA1 ASN 34 HD22 -0.01 0.07 0.05 -0.04 7.74 7.81 2lbpA1 ALA 35 H -0.00 0.55 -0.26 -0.55 8.40 8.14 2lbpA1 ALA 35 HA 0.00 -0.02 0.25 -0.75 4.34 3.81 2lbpA1 ALA 35 HB3 0.01 0.02 0.09 -0.04 1.41 1.49 2lbpA1 LYS 36 H 0.01 0.27 -0.39 -0.55 8.42 7.74 2lbpA1 LYS 36 HA 0.01 0.11 0.79 -0.75 4.32 4.48 2lbpA1 LYS 36 HB2 0.01 0.04 0.10 -0.04 1.87 1.99 2lbpA1 LYS 36 HB3 0.02 -0.06 0.22 -0.04 1.79 1.92 2lbpA1 LYS 36 HG2 0.03 0.09 0.04 -0.04 1.46 1.58 2lbpA1 LYS 36 HG3 0.03 -0.04 0.06 -0.04 1.46 1.47 2lbpA1 LYS 36 HD2 0.02 -0.03 0.06 -0.04 1.69 1.70 2lbpA1 LYS 36 HD3 0.02 0.01 0.03 -0.04 1.68 1.70 2lbpA1 LYS 36 HE2 0.03 -0.05 0.01 -0.04 2.99 2.94 2lbpA1 LYS 36 HE3 0.04 -0.01 -0.00 -0.04 2.99 2.97 2lbpA1 GLY 37 H 0.00 0.57 -0.28 -0.55 8.43 8.18 2lbpA1 GLY 37 HA2 0.00 -0.02 0.25 -0.51 4.01 3.73 2lbpA1 GLY 37 HA3 0.00 0.14 0.83 -0.51 4.01 4.47 2lbpA1 GLY 38 H -0.00 0.37 0.03 -0.55 8.43 8.27 2lbpA1 GLY 38 HA2 -0.02 0.00 0.07 -0.51 4.01 3.55 2lbpA1 GLY 38 HA3 -0.01 0.16 0.36 -0.51 4.01 4.01 2lbpA1 ILE 39 H -0.02 0.48 0.09 -0.55 8.25 8.26 2lbpA1 ILE 39 HA -0.02 0.07 0.69 -0.75 4.18 4.17 2lbpA1 ILE 39 HB -0.03 0.01 0.01 -0.04 1.89 1.83 2lbpA1 ILE 39 HG12 -0.06 -0.09 -0.15 -0.04 1.49 1.15 2lbpA1 ILE 39 HG13 -0.04 0.06 -0.30 -0.04 1.21 0.89 2lbpA1 ILE 39 HG23 -0.04 -0.01 -0.26 -0.04 0.93 0.59 2lbpA1 ILE 39 HD13 -0.05 0.00 -0.15 -0.04 0.88 0.64 2lbpA1 LYS 40 H -0.01 0.25 0.02 -0.55 8.42 8.12 2lbpA1 LYS 40 HA -0.00 0.03 0.29 -0.75 4.32 3.88 2lbpA1 LYS 40 HB2 -0.01 0.13 -0.19 -0.04 1.87 1.76 2lbpA1 LYS 40 HB3 -0.00 -0.01 0.19 -0.04 1.79 1.92 2lbpA1 LYS 40 HG2 -0.01 0.02 0.04 -0.04 1.46 1.47 2lbpA1 LYS 40 HG3 -0.01 -0.02 -0.17 -0.04 1.46 1.22 2lbpA1 LYS 40 HD2 -0.00 -0.02 0.02 -0.04 1.69 1.65 2lbpA1 LYS 40 HD3 -0.00 0.01 0.01 -0.04 1.68 1.65 2lbpA1 LYS 40 HE2 -0.00 -0.02 -0.02 -0.04 2.99 2.91 2lbpA1 LYS 40 HE3 -0.01 0.02 -0.06 -0.04 2.99 2.90 2lbpA1 GLY 41 H -0.00 0.34 -0.51 -0.55 8.43 7.71 2lbpA1 GLY 41 HA2 -0.00 0.03 0.32 -0.51 4.01 3.85 2lbpA1 GLY 41 HA3 -0.00 0.07 0.71 -0.51 4.01 4.28 2lbpA1 ASP 42 H -0.01 0.56 -0.28 -0.55 8.40 8.13 2lbpA1 ASP 42 HA -0.00 0.22 0.51 -0.75 4.63 4.61 2lbpA1 ASP 42 HB2 -0.01 -0.03 -0.06 -0.04 2.71 2.57 2lbpA1 ASP 42 HB3 0.00 -0.12 -0.31 -0.04 2.70 2.23 2lbpA1 LYS 43 H -0.00 0.54 0.27 -0.55 8.42 8.68 2lbpA1 LYS 43 HA -0.01 0.06 0.83 -0.75 4.32 4.44 2lbpA1 LYS 43 HB2 -0.00 -0.00 0.11 -0.04 1.87 1.93 2lbpA1 LYS 43 HB3 -0.01 -0.01 0.03 -0.04 1.79 1.77 2lbpA1 LYS 43 HG2 -0.00 0.14 -0.16 -0.04 1.46 1.40 2lbpA1 LYS 43 HG3 -0.00 -0.04 -0.00 -0.04 1.46 1.38 2lbpA1 LYS 43 HD2 -0.00 -0.08 -0.05 -0.04 1.69 1.51 2lbpA1 LYS 43 HD3 -0.01 -0.01 -0.18 -0.04 1.68 1.45 2lbpA1 LYS 43 HE2 -0.00 0.17 -0.06 -0.04 2.99 3.06 2lbpA1 LYS 43 HE3 -0.00 -0.09 -0.06 -0.04 2.99 2.79 2lbpA1 LEU 44 H -0.02 0.16 0.17 -0.55 8.37 8.13 2lbpA1 LEU 44 HA -0.00 0.36 0.82 -0.75 4.35 4.77 2lbpA1 LEU 44 HB2 -0.03 -0.06 0.08 -0.04 1.64 1.59 2lbpA1 LEU 44 HB3 -0.02 0.02 -0.05 -0.04 1.64 1.55 2lbpA1 LEU 44 HG -0.04 -0.04 -0.09 -0.04 1.64 1.43 2lbpA1 LEU 44 HD13 -0.06 -0.01 -0.09 -0.04 0.93 0.73 2lbpA1 LEU 44 HD23 -0.06 0.01 -0.11 -0.04 0.89 0.69 2lbpA1 VAL 45 H 0.01 0.69 0.24 -0.55 8.24 8.63 2lbpA1 VAL 45 HA -0.00 0.06 0.71 -0.75 4.13 4.14 2lbpA1 VAL 45 HB -0.00 0.01 0.02 -0.04 2.12 2.11 2lbpA1 VAL 45 HG13 0.01 0.04 -0.33 -0.04 0.97 0.65 2lbpA1 VAL 45 HG23 0.01 -0.01 -0.20 -0.04 0.95 0.71 2lbpA1 GLY 46 H 0.00 0.14 0.11 -0.55 8.43 8.14 2lbpA1 GLY 46 HA2 0.03 0.32 0.79 -0.51 4.01 4.63 2lbpA1 GLY 46 HA3 0.02 -0.05 0.29 -0.51 4.01 3.76 2lbpA1 VAL 47 H 0.05 0.80 0.35 -0.55 8.24 8.90 2lbpA1 VAL 47 HA -0.10 0.01 0.65 -0.75 4.13 3.94 2lbpA1 VAL 47 HB -0.03 0.06 -0.07 -0.04 2.12 2.03 2lbpA1 VAL 47 HG13 0.07 0.01 -0.10 -0.04 0.97 0.91 2lbpA1 VAL 47 HG23 -0.17 0.00 -0.01 -0.04 0.95 0.73 2lbpA1 GLU 48 H -0.17 0.20 0.16 -0.55 8.60 8.24 2lbpA1 GLU 48 HA 0.18 0.37 1.50 -0.75 4.29 5.59 2lbpA1 GLU 48 HB2 -0.14 -0.02 0.06 -0.04 2.09 1.94 2lbpA1 GLU 48 HB3 -0.08 -0.04 -0.01 -0.04 1.99 1.82 2lbpA1 GLU 48 HG2 0.30 -0.01 -0.09 -0.04 2.34 2.50 2lbpA1 GLU 48 HG3 0.03 0.05 -0.23 -0.04 2.34 2.16 2lbpA1 TYR 49 H 0.38 0.78 0.46 -0.55 8.29 9.36 2lbpA1 TYR 49 HA 0.01 0.22 1.00 -0.75 4.56 5.04 2lbpA1 TYR 49 HB2 0.05 -0.12 -0.08 -0.04 3.06 2.87 2lbpA1 TYR 49 HB3 0.05 0.00 0.04 -0.04 2.98 3.03 2lbpA1 TYR 49 HD2 0.04 0.01 -0.19 -0.04 7.15 6.97 2lbpA1 TYR 49 HE2 0.03 0.03 -0.16 -0.04 6.85 6.71 2lbpA1 ASP 50 H 0.16 0.32 0.21 -0.55 8.40 8.55 2lbpA1 ASP 50 HA 0.11 0.15 0.95 -0.75 4.63 5.08 2lbpA1 ASP 50 HB2 0.03 0.17 0.11 -0.04 2.71 2.98 2lbpA1 ASP 50 HB3 0.07 0.09 0.00 -0.04 2.70 2.82 2lbpA1 ASP 51 H 0.14 0.37 0.31 -0.55 8.40 8.67 2lbpA1 ASP 51 HA 0.14 0.26 0.37 -0.75 4.63 4.65 2lbpA1 ASP 51 HB2 0.14 0.17 -0.12 -0.04 2.71 2.86 2lbpA1 ASP 51 HB3 0.13 -0.35 -0.32 -0.04 2.70 2.12 2lbpA1 ALA 52 H 0.10 0.05 0.18 -0.55 8.40 8.18 2lbpA1 ALA 52 HA 0.07 -0.20 0.42 -0.75 4.34 3.87 2lbpA1 ALA 52 HB3 0.05 0.12 0.00 -0.04 1.41 1.54 2lbpA1 CYS 53 H 0.10 -0.18 -1.38 -0.55 8.50 6.50 2lbpA1 CYS 53 HA 0.08 -0.09 0.15 -0.75 4.58 3.97 2lbpA1 CYS 53 HB2 0.07 0.04 -0.28 -0.04 2.97 2.77 2lbpA1 CYS 53 HB3 0.04 0.11 0.36 -0.04 2.97 3.44 2lbpA1 ASP 54 H 0.06 0.48 0.05 -0.55 8.40 8.44 2lbpA1 ASP 54 HA 0.02 0.25 0.76 -0.75 4.63 4.90 2lbpA1 ASP 54 HB2 0.04 0.09 -0.16 -0.04 2.71 2.64 2lbpA1 ASP 54 HB3 0.04 -0.01 0.16 -0.04 2.70 2.85 2lbpA1 PRO 55 HA -0.03 0.06 0.47 -0.51 4.44 4.43 2lbpA1 PRO 55 HB2 -0.01 0.06 0.07 -0.04 2.28 2.36 2lbpA1 PRO 55 HB3 -0.02 0.17 0.18 -0.04 2.02 2.30 2lbpA1 PRO 55 HG2 -0.01 0.08 0.08 -0.04 2.03 2.15 2lbpA1 PRO 55 HG3 -0.01 0.07 -0.08 -0.04 2.03 1.98 2lbpA1 PRO 55 HD2 0.00 0.15 0.21 -0.04 3.68 4.00 2lbpA1 PRO 55 HD3 0.01 0.21 0.25 -0.04 3.65 4.08 2lbpA1 LYS 56 H 0.00 0.07 -0.22 -0.55 8.42 7.72 2lbpA1 LYS 56 HA -0.02 0.22 0.66 -0.75 4.32 4.43 2lbpA1 LYS 56 HB2 -0.00 0.02 0.05 -0.04 1.87 1.89 2lbpA1 LYS 56 HB3 0.00 0.00 0.02 -0.04 1.79 1.78 2lbpA1 LYS 56 HG2 -0.00 0.04 -0.02 -0.04 1.46 1.44 2lbpA1 LYS 56 HG3 -0.01 -0.01 0.07 -0.04 1.46 1.47 2lbpA1 LYS 56 HD2 -0.01 0.00 0.02 -0.04 1.69 1.66 2lbpA1 LYS 56 HD3 -0.01 0.01 -0.00 -0.04 1.68 1.64 2lbpA1 LYS 56 HE2 -0.01 0.01 -0.01 -0.04 2.99 2.94 2lbpA1 LYS 56 HE3 -0.01 0.02 0.00 -0.04 2.99 2.95 2lbpA1 GLN 57 H 0.01 0.00 -0.11 -0.55 8.47 7.83 2lbpA1 GLN 57 HA 0.02 0.17 0.53 -0.75 4.36 4.32 2lbpA1 GLN 57 HB2 0.03 -0.08 0.11 -0.04 2.15 2.17 2lbpA1 GLN 57 HB3 0.06 0.10 0.08 -0.04 2.02 2.21 2lbpA1 GLN 57 HG2 0.06 0.05 -0.05 -0.04 2.40 2.42 2lbpA1 GLN 57 HG3 0.04 0.06 0.06 -0.04 2.39 2.50 2lbpA1 GLN 57 HE21 0.03 0.02 -0.08 -0.04 6.97 6.90 2lbpA1 GLN 57 HE22 0.05 -0.03 -0.19 -0.04 7.69 7.48 2lbpA1 ALA 58 H 0.02 0.61 -0.01 -0.55 8.40 8.47 2lbpA1 ALA 58 HA 0.12 -0.03 0.40 -0.75 4.34 4.08 2lbpA1 ALA 58 HB3 -0.10 0.05 0.03 -0.04 1.41 1.36 2lbpA1 VAL 59 H -0.05 0.27 -0.25 -0.55 8.24 7.65 2lbpA1 VAL 59 HA -0.13 0.07 0.37 -0.75 4.13 3.68 2lbpA1 VAL 59 HB -0.05 0.06 0.12 -0.04 2.12 2.21 2lbpA1 VAL 59 HG13 -0.05 0.02 -0.12 -0.04 0.97 0.77 2lbpA1 VAL 59 HG23 -0.08 0.01 -0.01 -0.04 0.95 0.83 2lbpA1 ALA 60 H -0.02 0.21 -0.45 -0.55 8.40 7.60 2lbpA1 ALA 60 HA -0.02 0.11 0.53 -0.75 4.34 4.21 2lbpA1 ALA 60 HB3 0.01 0.04 0.09 -0.04 1.41 1.51 2lbpA1 VAL 61 H 0.02 0.31 -0.23 -0.55 8.24 7.79 2lbpA1 VAL 61 HA -0.03 0.08 0.50 -0.75 4.13 3.93 2lbpA1 VAL 61 HB 0.15 0.01 0.16 -0.04 2.12 2.40 2lbpA1 VAL 61 HG13 -0.14 -0.03 -0.24 -0.04 0.97 0.52 2lbpA1 VAL 61 HG23 0.09 0.10 -0.02 -0.04 0.95 1.09 2lbpA1 ALA 62 H -0.02 0.65 -0.04 -0.55 8.40 8.44 2lbpA1 ALA 62 HA 0.10 0.03 0.30 -0.75 4.34 4.01 2lbpA1 ALA 62 HB3 -0.45 0.01 0.03 -0.04 1.41 0.96 2lbpA1 ASN 63 H -0.06 0.21 -0.76 -0.55 8.53 7.37 2lbpA1 ASN 63 HA -0.05 0.08 0.68 -0.75 4.76 4.71 2lbpA1 ASN 63 HB2 -0.04 0.11 0.18 -0.04 2.88 3.08 2lbpA1 ASN 63 HB3 -0.03 -0.01 0.01 -0.04 2.79 2.72 2lbpA1 ASN 63 HD21 -0.05 -0.01 0.03 -0.04 7.03 6.95 2lbpA1 ASN 63 HD22 -0.04 -0.02 0.10 -0.04 7.74 7.73 2lbpA1 LYS 64 H -0.03 0.44 -0.11 -0.55 8.42 8.17 2lbpA1 LYS 64 HA 0.02 0.07 0.40 -0.75 4.32 4.05 2lbpA1 LYS 64 HB2 0.04 -0.03 0.09 -0.04 1.87 1.93 2lbpA1 LYS 64 HB3 0.01 0.08 0.08 -0.04 1.79 1.92 2lbpA1 LYS 64 HG2 0.22 -0.02 -0.12 -0.04 1.46 1.50 2lbpA1 LYS 64 HG3 0.08 0.03 0.08 -0.04 1.46 1.61 2lbpA1 LYS 64 HD2 0.07 0.00 0.00 -0.04 1.69 1.72 2lbpA1 LYS 64 HD3 0.11 -0.04 -0.01 -0.04 1.68 1.70 2lbpA1 LYS 64 HE2 0.10 -0.04 -0.01 -0.04 2.99 3.00 2lbpA1 LYS 64 HE3 0.26 -0.02 -0.04 -0.04 2.99 3.16 2lbpA1 ILE 65 H -0.05 0.09 -0.51 -0.55 8.25 7.23 2lbpA1 ILE 65 HA 0.02 0.15 0.66 -0.75 4.18 4.26 2lbpA1 ILE 65 HB -0.13 0.00 -0.04 -0.04 1.89 1.68 2lbpA1 ILE 65 HG12 0.06 0.08 -0.24 -0.04 1.49 1.36 2lbpA1 ILE 65 HG13 -0.01 0.02 -0.18 -0.04 1.21 0.99 2lbpA1 ILE 65 HG23 -0.36 -0.04 -0.21 -0.04 0.93 0.27 2lbpA1 ILE 65 HD13 -0.10 -0.04 -0.20 -0.04 0.88 0.50 2lbpA1 VAL 66 H 0.01 0.17 -0.39 -0.55 8.24 7.48 2lbpA1 VAL 66 HA 0.01 0.15 0.37 -0.75 4.13 3.90 2lbpA1 VAL 66 HB -0.01 0.10 0.26 -0.04 2.12 2.43 2lbpA1 VAL 66 HG13 -0.02 -0.01 0.01 -0.04 0.97 0.91 2lbpA1 VAL 66 HG23 0.04 0.00 0.01 -0.04 0.95 0.96 2lbpA1 ASN 67 H -0.00 0.51 0.04 -0.55 8.53 8.53 2lbpA1 ASN 67 HA -0.00 0.04 0.31 -0.75 4.76 4.35 2lbpA1 ASN 67 HB2 -0.01 -0.04 0.12 -0.04 2.88 2.91 2lbpA1 ASN 67 HB3 -0.00 0.19 0.17 -0.04 2.79 3.11 2lbpA1 ASN 67 HD21 0.00 -0.03 0.06 -0.04 7.03 7.02 2lbpA1 ASN 67 HD22 -0.00 -0.02 0.07 -0.04 7.74 7.75 2lbpA1 ASP 68 H 0.01 0.58 -1.60 -0.55 8.40 6.85 2lbpA1 ASP 68 HA 0.03 0.01 0.57 -0.75 4.63 4.48 2lbpA1 ASP 68 HB2 0.05 -0.02 -0.37 -0.04 2.71 2.33 2lbpA1 ASP 68 HB3 0.06 0.08 -0.27 -0.04 2.70 2.53 2lbpA1 GLY 69 H 0.00 0.56 0.27 -0.55 8.43 8.71 2lbpA1 GLY 69 HA2 -0.02 0.03 0.36 -0.51 4.01 3.87 2lbpA1 GLY 69 HA3 -0.01 -0.04 0.39 -0.51 4.01 3.84 2lbpA1 ILE 70 H 0.00 0.40 -0.09 -0.55 8.25 8.01 2lbpA1 ILE 70 HA -0.06 0.10 0.72 -0.75 4.18 4.19 2lbpA1 ILE 70 HB 0.03 0.01 0.02 -0.04 1.89 1.91 2lbpA1 ILE 70 HG12 0.05 -0.04 -0.11 -0.04 1.49 1.35 2lbpA1 ILE 70 HG13 0.04 0.14 -0.14 -0.04 1.21 1.21 2lbpA1 ILE 70 HG23 -0.00 -0.03 -0.13 -0.04 0.93 0.73 2lbpA1 ILE 70 HD13 0.16 -0.02 -0.09 -0.04 0.88 0.89 2lbpA1 LYS 71 H -0.30 0.15 0.26 -0.55 8.42 7.98 2lbpA1 LYS 71 HA -0.26 0.20 0.79 -0.75 4.32 4.29 2lbpA1 LYS 71 HB2 -1.18 0.03 0.16 -0.04 1.87 0.83 2lbpA1 LYS 71 HB3 -0.78 -0.02 0.17 -0.04 1.79 1.13 2lbpA1 LYS 71 HG2 -0.21 0.12 -0.04 -0.04 1.46 1.29 2lbpA1 LYS 71 HG3 -0.23 -0.02 0.05 -0.04 1.46 1.23 2lbpA1 LYS 71 HD2 -0.13 -0.01 0.11 -0.04 1.69 1.61 2lbpA1 LYS 71 HD3 -0.17 0.02 0.08 -0.04 1.68 1.56 2lbpA1 LYS 71 HE2 -0.06 -0.06 0.01 -0.04 2.99 2.84 2lbpA1 LYS 71 HE3 -0.07 0.04 -0.07 -0.04 2.99 2.85 2lbpA1 TYR 72 H -0.20 0.15 0.14 -0.55 8.29 7.83 2lbpA1 TYR 72 HA -0.08 0.17 0.91 -0.75 4.56 4.81 2lbpA1 TYR 72 HB2 -0.04 -0.05 0.07 -0.04 3.06 3.00 2lbpA1 TYR 72 HB3 -0.05 0.02 -0.04 -0.04 2.98 2.87 2lbpA1 TYR 72 HD2 -0.03 0.08 -0.00 -0.04 7.15 7.16 2lbpA1 TYR 72 HE2 -0.01 0.04 -0.03 -0.04 6.85 6.80 2lbpA1 VAL 73 H -0.08 0.68 0.08 -0.55 8.24 8.37 2lbpA1 VAL 73 HA -0.08 0.15 0.91 -0.75 4.13 4.35 2lbpA1 VAL 73 HB -0.48 0.14 0.15 -0.04 2.12 1.89 2lbpA1 VAL 73 HG13 -0.25 -0.05 -0.32 -0.04 0.97 0.31 2lbpA1 VAL 73 HG23 -0.43 -0.00 -0.31 -0.04 0.95 0.17 2lbpA1 ILE 74 H -0.05 0.89 0.20 -0.55 8.25 8.74 2lbpA1 ILE 74 HA -0.03 0.19 0.80 -0.75 4.18 4.38 2lbpA1 ILE 74 HB -0.05 0.01 0.19 -0.04 1.89 2.01 2lbpA1 ILE 74 HG12 -0.01 -0.05 -0.30 -0.04 1.49 1.09 2lbpA1 ILE 74 HG13 -0.03 -0.00 -0.12 -0.04 1.21 1.03 2lbpA1 ILE 74 HG23 -0.05 -0.02 -0.00 -0.04 0.93 0.83 2lbpA1 ILE 74 HD13 -0.02 -0.00 -0.21 -0.04 0.88 0.60 2lbpA1 GLY 75 H -0.02 0.41 -0.12 -0.55 8.43 8.16 2lbpA1 GLY 75 HA2 -0.07 0.03 0.33 -0.51 4.01 3.78 2lbpA1 GLY 75 HA3 -0.14 -0.07 0.32 -0.51 4.01 3.62 2lbpA1 HIS 76 H 0.32 0.06 -0.02 -0.55 8.41 8.23 2lbpA1 HIS 76 HA 0.01 0.09 0.27 -0.75 4.63 4.25 2lbpA1 HIS 76 HB2 0.05 0.02 -0.02 -0.04 3.26 3.27 2lbpA1 HIS 76 HB3 0.03 -0.20 -0.07 -0.04 3.20 2.91 2lbpA1 HIS 76 HD2 0.17 0.13 -0.19 -0.04 6.97 7.04 2lbpA1 HIS 76 HE1 0.05 0.07 -0.04 -0.04 7.75 7.78 2lbpA1 LEU 77 H 0.03 0.03 0.11 -0.55 8.37 7.99 2lbpA1 LEU 77 HA -0.08 0.16 0.45 -0.75 4.35 4.13 2lbpA1 LEU 77 HB2 -0.09 0.10 0.17 -0.04 1.64 1.78 2lbpA1 LEU 77 HB3 -0.02 -0.23 0.18 -0.04 1.64 1.53 2lbpA1 LEU 77 HG -0.28 0.03 -0.14 -0.04 1.64 1.20 2lbpA1 LEU 77 HD13 -0.59 0.04 -0.04 -0.04 0.93 0.30 2lbpA1 LEU 77 HD23 -0.03 -0.02 -0.16 -0.04 0.89 0.64 2lbpA1 CYS 78 H 0.03 -0.07 -0.01 -0.55 8.50 7.91 2lbpA1 CYS 78 HA -0.04 0.24 0.48 -0.75 4.58 4.51 2lbpA1 CYS 78 HB2 0.03 -0.13 -0.01 -0.04 2.97 2.82 2lbpA1 CYS 78 HB3 -0.01 -0.12 -0.07 -0.04 2.97 2.74 2lbpA1 SER 79 H -0.01 0.24 0.21 -0.55 8.46 8.36 2lbpA1 SER 79 HA 0.02 0.16 0.28 -0.75 4.49 4.20 2lbpA1 SER 79 HB2 0.01 0.10 0.02 -0.04 3.95 4.04 2lbpA1 SER 79 HB3 0.02 -0.05 0.18 -0.04 3.93 4.04 2lbpA1 SER 80 H -0.00 0.03 -0.27 -0.55 8.46 7.67 2lbpA1 SER 80 HA -0.01 0.28 0.77 -0.75 4.49 4.78 2lbpA1 SER 80 HB2 -0.01 0.09 0.12 -0.04 3.95 4.11 2lbpA1 SER 80 HB3 -0.01 0.02 0.01 -0.04 3.93 3.91 2lbpA1 SER 81 H 0.00 0.09 -0.30 -0.55 8.46 7.71 2lbpA1 SER 81 HA -0.04 0.21 0.56 -0.75 4.49 4.46 2lbpA1 SER 81 HB2 0.02 0.04 -0.10 -0.04 3.95 3.86 2lbpA1 SER 81 HB3 0.02 -0.02 -0.46 -0.04 3.93 3.43 2lbpA1 THR 82 H -0.02 0.19 -0.15 -0.55 8.28 7.75 2lbpA1 THR 82 HA -0.22 0.03 0.34 -0.75 4.39 3.79 2lbpA1 THR 82 HB 0.02 -0.04 0.02 -0.04 4.32 4.28 2lbpA1 THR 82 HG23 0.07 0.03 -0.14 -0.04 1.22 1.15 2lbpA1 GLN 83 H -0.03 0.22 -0.17 -0.55 8.47 7.95 2lbpA1 GLN 83 HA -0.00 0.06 0.34 -0.75 4.36 4.00 2lbpA1 GLN 83 HB2 -0.02 0.05 0.10 -0.04 2.15 2.24 2lbpA1 GLN 83 HB3 -0.02 0.06 -0.03 -0.04 2.02 1.98 2lbpA1 GLN 83 HG2 -0.02 -0.00 0.03 -0.04 2.40 2.37 2lbpA1 GLN 83 HG3 -0.01 -0.02 0.06 -0.04 2.39 2.38 2lbpA1 GLN 83 HE21 -0.03 0.06 -0.12 -0.04 6.97 6.84 2lbpA1 GLN 83 HE22 -0.02 -0.16 -0.07 -0.04 7.69 7.39 2lbpA1 PRO 84 HA -0.05 0.08 0.35 -0.51 4.44 4.31 2lbpA1 PRO 84 HB2 -0.11 0.02 0.01 -0.04 2.28 2.16 2lbpA1 PRO 84 HB3 -0.07 0.05 0.06 -0.04 2.02 2.02 2lbpA1 PRO 84 HG2 -0.05 0.06 0.09 -0.04 2.03 2.10 2lbpA1 PRO 84 HG3 -0.04 0.03 0.04 -0.04 2.03 2.02 2lbpA1 PRO 84 HD2 -0.07 -0.01 -0.75 -0.04 3.68 2.81 2lbpA1 PRO 84 HD3 -0.04 0.06 -0.05 -0.04 3.65 3.58 2lbpA1 ALA 85 H -0.20 0.30 -0.31 -0.55 8.40 7.65 2lbpA1 ALA 85 HA -0.41 0.01 0.42 -0.75 4.34 3.61 2lbpA1 ALA 85 HB3 -0.42 0.01 0.04 -0.04 1.41 0.99 2lbpA1 SER 86 H -0.04 0.80 0.01 -0.55 8.46 8.69 2lbpA1 SER 86 HA 0.23 -0.02 0.23 -0.75 4.49 4.17 2lbpA1 SER 86 HB2 0.22 -0.01 0.07 -0.04 3.95 4.19 2lbpA1 SER 86 HB3 0.12 -0.04 0.04 -0.04 3.93 4.01 2lbpA1 ASP 87 H -0.03 0.31 -0.62 -0.55 8.40 7.51 2lbpA1 ASP 87 HA 0.09 0.04 0.48 -0.75 4.63 4.48 2lbpA1 ASP 87 HB2 -0.03 0.11 0.14 -0.04 2.71 2.88 2lbpA1 ASP 87 HB3 0.00 -0.03 0.04 -0.04 2.70 2.68 2lbpA1 ILE 88 H -0.19 0.33 0.03 -0.55 8.25 7.87 2lbpA1 ILE 88 HA -0.14 0.02 0.42 -0.75 4.18 3.72 2lbpA1 ILE 88 HB -0.42 0.06 0.16 -0.04 1.89 1.65 2lbpA1 ILE 88 HG12 -0.12 -0.01 0.03 -0.04 1.49 1.35 2lbpA1 ILE 88 HG13 -0.15 0.02 0.10 -0.04 1.21 1.14 2lbpA1 ILE 88 HG23 -0.17 -0.00 -0.17 -0.04 0.93 0.55 2lbpA1 ILE 88 HD13 -0.15 -0.04 0.01 -0.04 0.88 0.66 2lbpA1 TYR 89 H -0.35 0.47 -0.13 -0.55 8.29 7.73 2lbpA1 TYR 89 HA -0.10 0.06 0.35 -0.75 4.56 4.12 2lbpA1 TYR 89 HB2 -0.03 -0.03 -0.04 -0.04 3.06 2.92 2lbpA1 TYR 89 HB3 -0.05 0.21 -0.19 -0.04 2.98 2.91 2lbpA1 TYR 89 HD2 -0.01 0.03 -0.21 -0.04 7.15 6.91 2lbpA1 TYR 89 HE2 0.06 -0.06 -0.13 -0.04 6.85 6.68 2lbpA1 GLU 90 H -0.08 0.49 -0.19 -0.55 8.60 8.28 2lbpA1 GLU 90 HA -0.33 0.02 0.43 -0.75 4.29 3.66 2lbpA1 GLU 90 HB2 -0.38 0.31 0.21 -0.04 2.09 2.19 2lbpA1 GLU 90 HB3 -0.60 0.03 0.05 -0.04 1.99 1.44 2lbpA1 GLU 90 HG2 -0.05 -0.05 0.08 -0.04 2.34 2.28 2lbpA1 GLU 90 HG3 -0.24 -0.06 0.09 -0.04 2.34 2.09 2lbpA1 ASP 91 H -0.21 0.37 -0.18 -0.55 8.40 7.83 2lbpA1 ASP 91 HA -0.14 -0.04 0.37 -0.75 4.63 4.07 2lbpA1 ASP 91 HB2 -0.15 0.49 0.30 -0.04 2.71 3.31 2lbpA1 ASP 91 HB3 -0.12 0.34 0.23 -0.04 2.70 3.11 2lbpA1 GLU 92 H -0.11 0.42 -0.14 -0.55 8.60 8.23 2lbpA1 GLU 92 HA -0.08 0.10 0.58 -0.75 4.29 4.13 2lbpA1 GLU 92 HB2 -0.04 0.11 0.08 -0.04 2.09 2.19 2lbpA1 GLU 92 HB3 -0.04 -0.02 0.12 -0.04 1.99 2.00 2lbpA1 GLU 92 HG2 -0.07 -0.09 -0.06 -0.04 2.34 2.08 2lbpA1 GLU 92 HG3 -0.05 -0.02 0.04 -0.04 2.34 2.26 2lbpA1 GLY 93 H -0.29 0.39 -0.46 -0.55 8.43 7.53 2lbpA1 GLY 93 HA2 -0.76 -0.01 0.30 -0.51 4.01 3.03 2lbpA1 GLY 93 HA3 -0.08 -0.06 0.36 -0.51 4.01 3.72 2lbpA1 ILE 94 H -0.24 0.52 0.06 -0.55 8.25 8.05 2lbpA1 ILE 94 HA -0.07 0.18 0.87 -0.75 4.18 4.40 2lbpA1 ILE 94 HB 0.04 -0.06 0.00 -0.04 1.89 1.83 2lbpA1 ILE 94 HG12 -0.10 0.04 0.03 -0.04 1.49 1.43 2lbpA1 ILE 94 HG13 -0.05 0.13 -0.47 -0.04 1.21 0.78 2lbpA1 ILE 94 HG23 -0.17 -0.03 -0.32 -0.04 0.93 0.37 2lbpA1 ILE 94 HD13 0.02 -0.03 -0.08 -0.04 0.88 0.74 2lbpA1 LEU 95 H -0.03 0.61 0.35 -0.55 8.37 8.75 2lbpA1 LEU 95 HA 0.08 0.21 0.69 -0.75 4.35 4.58 2lbpA1 LEU 95 HB2 0.11 0.02 0.12 -0.04 1.64 1.85 2lbpA1 LEU 95 HB3 0.17 0.04 0.26 -0.04 1.64 2.07 2lbpA1 LEU 95 HG 0.01 -0.05 -0.18 -0.04 1.64 1.38 2lbpA1 LEU 95 HD13 -0.03 0.05 -0.08 -0.04 0.93 0.83 2lbpA1 LEU 95 HD23 0.05 -0.01 -0.08 -0.04 0.89 0.81 2lbpA1 MET 96 H 0.01 0.49 0.24 -0.55 8.47 8.66 2lbpA1 MET 96 HA -0.12 0.23 0.79 -0.75 4.52 4.67 2lbpA1 MET 96 HB2 -0.07 0.05 -0.15 -0.04 2.15 1.95 2lbpA1 MET 96 HB3 0.08 -0.04 0.18 -0.04 2.03 2.21 2lbpA1 MET 96 HG2 0.01 0.07 -0.06 -0.04 2.63 2.61 2lbpA1 MET 96 HG3 -0.23 -0.07 -0.08 -0.04 2.56 2.15 2lbpA1 MET 96 HE3 0.11 0.00 -0.05 -0.04 2.10 2.12 2lbpA1 ILE 97 H -0.03 0.68 0.29 -0.55 8.25 8.64 2lbpA1 ILE 97 HA -0.00 0.25 0.89 -0.75 4.18 4.56 2lbpA1 ILE 97 HB -0.01 -0.06 0.10 -0.04 1.89 1.88 2lbpA1 ILE 97 HG12 -0.10 0.05 -0.21 -0.04 1.49 1.18 2lbpA1 ILE 97 HG13 -0.05 -0.02 -0.21 -0.04 1.21 0.90 2lbpA1 ILE 97 HG23 0.04 -0.01 -0.36 -0.04 0.93 0.56 2lbpA1 ILE 97 HD13 -0.09 0.03 -0.15 -0.04 0.88 0.62 2lbpA1 SER 98 H 0.05 0.65 0.27 -0.55 8.46 8.88 2lbpA1 SER 98 HA 0.05 0.14 0.58 -0.75 4.49 4.50 2lbpA1 SER 98 HB2 0.08 0.11 0.09 -0.04 3.95 4.19 2lbpA1 SER 98 HB3 0.07 -0.01 0.20 -0.04 3.93 4.16 2lbpA1 PRO 99 HA 0.09 0.17 0.40 -0.51 4.44 4.59 2lbpA1 PRO 99 HB2 0.08 -0.02 -0.03 -0.04 2.28 2.27 2lbpA1 PRO 99 HB3 0.03 0.12 -0.01 -0.04 2.02 2.12 2lbpA1 PRO 99 HG2 -0.01 -0.06 -0.21 -0.04 2.03 1.71 2lbpA1 PRO 99 HG3 -0.06 0.10 -0.09 -0.04 2.03 1.94 2lbpA1 PRO 99 HD2 0.02 0.10 -0.02 -0.04 3.68 3.74 2lbpA1 PRO 99 HD3 0.00 0.32 0.23 -0.04 3.65 4.17 2lbpA1 GLY 100 H 0.08 -0.01 -0.26 -0.55 8.43 7.69 2lbpA1 GLY 100 HA2 0.29 0.09 0.37 -0.51 4.01 4.25 2lbpA1 GLY 100 HA3 0.09 -0.01 0.37 -0.51 4.01 3.95 2lbpA1 ALA 101 H 0.07 0.07 -0.01 -0.55 8.40 7.99 2lbpA1 ALA 101 HA 0.05 0.06 0.88 -0.75 4.34 4.58 2lbpA1 ALA 101 HB3 0.05 0.02 -0.11 -0.04 1.41 1.32 2lbpA1 THR 102 H 0.06 0.04 0.17 -0.55 8.28 7.99 2lbpA1 THR 102 HA 0.06 0.33 0.69 -0.75 4.39 4.72 2lbpA1 THR 102 HB 0.10 -0.12 0.17 -0.04 4.32 4.43 2lbpA1 THR 102 HG23 0.12 0.05 -0.29 -0.04 1.22 1.05 2lbpA1 ALA 103 H 0.04 0.00 -0.01 -0.55 8.40 7.89 2lbpA1 ALA 103 HA 0.03 0.08 0.42 -0.75 4.34 4.11 2lbpA1 ALA 103 HB3 0.01 -0.00 0.14 -0.04 1.41 1.52 2lbpA1 PRO 104 HA 0.02 0.13 0.39 -0.51 4.44 4.47 2lbpA1 PRO 104 HB2 0.01 0.04 -0.00 -0.04 2.28 2.28 2lbpA1 PRO 104 HB3 0.01 0.07 0.09 -0.04 2.02 2.16 2lbpA1 PRO 104 HG2 0.02 0.01 0.10 -0.04 2.03 2.12 2lbpA1 PRO 104 HG3 0.03 0.02 0.15 -0.04 2.03 2.19 2lbpA1 PRO 104 HD2 0.02 0.05 0.23 -0.04 3.68 3.94 2lbpA1 PRO 104 HD3 0.04 0.15 0.33 -0.04 3.65 4.13 2lbpA1 GLU 105 H -0.00 -0.01 -0.47 -0.55 8.60 7.57 2lbpA1 GLU 105 HA -0.03 0.20 0.49 -0.75 4.29 4.20 2lbpA1 GLU 105 HB2 -0.05 0.07 -0.08 -0.04 2.09 2.00 2lbpA1 GLU 105 HB3 -0.02 0.07 0.01 -0.04 1.99 2.01 2lbpA1 GLU 105 HG2 -0.02 -0.05 -0.05 -0.04 2.34 2.18 2lbpA1 GLU 105 HG3 -0.02 0.07 -0.05 -0.04 2.34 2.30 2lbpA1 LEU 106 H -0.02 0.27 -0.18 -0.55 8.37 7.90 2lbpA1 LEU 106 HA -0.07 0.02 0.31 -0.75 4.35 3.86 2lbpA1 LEU 106 HB2 0.00 -0.14 0.05 -0.04 1.64 1.52 2lbpA1 LEU 106 HB3 0.01 0.11 -0.01 -0.04 1.64 1.71 2lbpA1 LEU 106 HG 0.02 0.11 -0.21 -0.04 1.64 1.52 2lbpA1 LEU 106 HD13 0.04 -0.03 -0.07 -0.04 0.93 0.82 2lbpA1 LEU 106 HD23 0.05 0.01 -0.13 -0.04 0.89 0.78 2lbpA1 THR 107 H -0.02 0.12 -0.50 -0.55 8.28 7.34 2lbpA1 THR 107 HA -0.04 0.20 0.68 -0.75 4.39 4.48 2lbpA1 THR 107 HB 0.02 -0.00 -0.09 -0.04 4.32 4.20 2lbpA1 THR 107 HG23 0.04 0.08 0.08 -0.04 1.22 1.37 2lbpA1 GLN 108 H -0.08 0.94 -0.22 -0.55 8.47 8.56 2lbpA1 GLN 108 HA -0.03 0.20 0.80 -0.75 4.36 4.58 2lbpA1 GLN 108 HB2 -0.04 -0.03 0.16 -0.04 2.15 2.20 2lbpA1 GLN 108 HB3 -0.03 -0.01 0.21 -0.04 2.02 2.15 2lbpA1 GLN 108 HG2 -0.01 0.03 -0.02 -0.04 2.40 2.35 2lbpA1 GLN 108 HG3 -0.01 0.18 -0.11 -0.04 2.39 2.41 2lbpA1 GLN 108 HE21 -0.01 -0.03 -0.09 -0.04 6.97 6.80 2lbpA1 GLN 108 HE22 -0.01 -0.09 -0.40 -0.04 7.69 7.14 2lbpA1 ARG 109 H -0.15 0.06 -0.40 -0.55 8.46 7.41 2lbpA1 ARG 109 HA -0.07 0.21 0.94 -0.75 4.34 4.67 2lbpA1 ARG 109 HB2 -0.88 -0.01 0.05 -0.04 1.90 1.01 2lbpA1 ARG 109 HB3 -0.24 0.00 0.02 -0.04 1.80 1.53 2lbpA1 ARG 109 HG2 -0.15 0.03 -0.28 -0.04 1.67 1.22 2lbpA1 ARG 109 HG3 -0.22 -0.08 -0.24 -0.04 1.67 1.10 2lbpA1 ARG 109 HD2 -0.28 -0.03 -0.07 -0.04 3.22 2.80 2lbpA1 ARG 109 HD3 -0.16 -0.10 -0.15 -0.04 3.22 2.77 2lbpA1 GLY 110 H -0.01 0.09 0.13 -0.55 8.43 8.09 2lbpA1 GLY 110 HA2 0.08 0.05 0.26 -0.51 4.01 3.88 2lbpA1 GLY 110 HA3 0.11 0.23 0.97 -0.51 4.01 4.82 2lbpA1 TYR 111 H 0.26 -0.13 0.11 -0.55 8.29 7.98 2lbpA1 TYR 111 HA 0.06 0.03 0.48 -0.75 4.56 4.37 2lbpA1 TYR 111 HB2 0.04 0.06 0.19 -0.04 3.06 3.31 2lbpA1 TYR 111 HB3 0.06 -0.04 0.06 -0.04 2.98 3.02 2lbpA1 TYR 111 HD2 0.03 -0.06 -0.14 -0.04 7.15 6.94 2lbpA1 TYR 111 HE2 -0.00 0.00 -0.17 -0.04 6.85 6.64 2lbpA1 GLN 112 H 0.17 0.12 0.22 -0.55 8.47 8.44 2lbpA1 GLN 112 HA 0.06 0.28 0.79 -0.75 4.36 4.74 2lbpA1 GLN 112 HB2 0.08 -0.02 0.14 -0.04 2.15 2.30 2lbpA1 GLN 112 HB3 -0.07 -0.01 0.10 -0.04 2.02 1.99 2lbpA1 GLN 112 HG2 0.01 0.02 0.06 -0.04 2.40 2.44 2lbpA1 GLN 112 HG3 0.06 0.13 -0.17 -0.04 2.39 2.36 2lbpA1 GLN 112 HE21 0.01 -0.04 0.01 -0.04 6.97 6.91 2lbpA1 GLN 112 HE22 0.01 0.01 0.02 -0.04 7.69 7.69 2lbpA1 HIS 113 H 0.25 -0.01 -0.11 -0.55 8.41 7.99 2lbpA1 HIS 113 HA -0.01 0.23 0.76 -0.75 4.63 4.85 2lbpA1 HIS 113 HB2 0.01 -0.03 -0.01 -0.04 3.26 3.18 2lbpA1 HIS 113 HB3 -0.01 0.04 0.10 -0.04 3.20 3.29 2lbpA1 HIS 113 HD2 -0.02 -0.01 -0.49 -0.04 6.97 6.41 2lbpA1 HIS 113 HE1 -0.03 0.03 -0.00 -0.04 7.75 7.70 2lbpA1 ILE 114 H 0.11 0.28 -0.22 -0.55 8.25 7.87 2lbpA1 ILE 114 HA 0.08 0.26 0.97 -0.75 4.18 4.74 2lbpA1 ILE 114 HB 0.21 -0.09 0.03 -0.04 1.89 2.00 2lbpA1 ILE 114 HG12 0.26 -0.04 -0.00 -0.04 1.49 1.67 2lbpA1 ILE 114 HG13 0.16 -0.02 0.05 -0.04 1.21 1.35 2lbpA1 ILE 114 HG23 0.08 0.02 -0.18 -0.04 0.93 0.82 2lbpA1 ILE 114 HD13 0.18 0.05 -0.16 -0.04 0.88 0.91 2lbpA1 MET 115 H 0.01 0.81 0.48 -0.55 8.47 9.21 2lbpA1 MET 115 HA -0.01 0.33 0.98 -0.75 4.52 5.07 2lbpA1 MET 115 HB2 -0.19 -0.09 -0.04 -0.04 2.15 1.79 2lbpA1 MET 115 HB3 -0.38 0.00 0.10 -0.04 2.03 1.71 2lbpA1 MET 115 HG2 -0.19 0.13 -0.29 -0.04 2.63 2.24 2lbpA1 MET 115 HG3 -0.19 -0.05 -0.30 -0.04 2.56 1.98 2lbpA1 MET 115 HE3 -0.32 -0.01 -0.12 -0.04 2.10 1.62 2lbpA1 ARG 116 H 0.21 0.45 0.23 -0.55 8.46 8.80 2lbpA1 ARG 116 HA 0.11 0.08 0.94 -0.75 4.34 4.71 2lbpA1 ARG 116 HB2 0.15 0.06 0.08 -0.04 1.90 2.15 2lbpA1 ARG 116 HB3 0.08 -0.19 0.07 -0.04 1.80 1.72 2lbpA1 ARG 116 HG2 0.07 -0.06 0.01 -0.04 1.67 1.65 2lbpA1 ARG 116 HG3 0.08 0.04 -0.35 -0.04 1.67 1.41 2lbpA1 ARG 116 HD2 0.08 0.03 -0.12 -0.04 3.22 3.16 2lbpA1 ARG 116 HD3 0.06 0.07 -0.04 -0.04 3.22 3.27 2lbpA1 THR 117 H 0.11 0.45 0.22 -0.55 8.28 8.52 2lbpA1 THR 117 HA 0.15 0.21 0.65 -0.75 4.39 4.64 2lbpA1 THR 117 HB 0.10 -0.03 0.06 -0.04 4.32 4.41 2lbpA1 THR 117 HG23 0.31 0.01 -0.34 -0.04 1.22 1.16 2lbpA1 ALA 118 H 0.03 0.07 0.02 -0.55 8.40 7.97 2lbpA1 ALA 118 HA -0.12 0.11 0.68 -0.75 4.34 4.26 2lbpA1 ALA 118 HB3 0.07 0.02 -0.26 -0.04 1.41 1.20 2lbpA1 GLY 119 H -0.22 0.10 0.04 -0.55 8.43 7.81 2lbpA1 GLY 119 HA2 -0.24 0.14 0.53 -0.51 4.01 3.93 2lbpA1 GLY 119 HA3 -0.15 0.04 0.17 -0.51 4.01 3.57 2lbpA1 LEU 120 H 0.09 0.21 0.14 -0.55 8.37 8.26 2lbpA1 LEU 120 HA 0.09 0.11 0.69 -0.75 4.35 4.49 2lbpA1 LEU 120 HB2 0.06 0.07 0.15 -0.04 1.64 1.89 2lbpA1 LEU 120 HB3 0.05 -0.13 0.06 -0.04 1.64 1.58 2lbpA1 LEU 120 HG 0.05 0.12 -0.03 -0.04 1.64 1.74 2lbpA1 LEU 120 HD13 0.04 0.02 -0.17 -0.04 0.93 0.78 2lbpA1 LEU 120 HD23 0.03 0.01 0.00 -0.04 0.89 0.90 2lbpA1 ASP 121 H 0.10 0.24 0.18 -0.55 8.40 8.37 2lbpA1 ASP 121 HA -0.03 0.10 0.33 -0.75 4.63 4.27 2lbpA1 ASP 121 HB2 0.08 0.02 0.09 -0.04 2.71 2.85 2lbpA1 ASP 121 HB3 0.09 -0.03 0.09 -0.04 2.70 2.81 2lbpA1 SER 122 H -0.00 0.10 -0.40 -0.55 8.46 7.61 2lbpA1 SER 122 HA -0.10 0.04 0.47 -0.75 4.49 4.15 2lbpA1 SER 122 HB2 -0.04 0.07 0.08 -0.04 3.95 4.02 2lbpA1 SER 122 HB3 -0.03 -0.03 0.05 -0.04 3.93 3.88 2lbpA1 SER 123 H -0.02 0.63 -0.27 -0.55 8.46 8.25 2lbpA1 SER 123 HA 0.00 0.12 0.48 -0.75 4.49 4.34 2lbpA1 SER 123 HB2 0.13 0.04 0.12 -0.04 3.95 4.20 2lbpA1 SER 123 HB3 0.14 0.18 0.15 -0.04 3.93 4.37 2lbpA1 GLN 124 H -0.24 0.29 -0.40 -0.55 8.47 7.57 2lbpA1 GLN 124 HA -0.19 0.07 0.39 -0.75 4.36 3.88 2lbpA1 GLN 124 HB2 -0.26 0.01 0.04 -0.04 2.15 1.90 2lbpA1 GLN 124 HB3 -0.24 -0.04 0.07 -0.04 2.02 1.77 2lbpA1 GLN 124 HG2 -2.02 -0.01 -0.03 -0.04 2.40 0.30 2lbpA1 GLN 124 HG3 -0.96 0.07 0.07 -0.04 2.39 1.52 2lbpA1 GLN 124 HE21 0.04 -0.14 0.10 -0.04 6.97 6.93 2lbpA1 GLN 124 HE22 -0.31 -0.02 0.16 -0.04 7.69 7.48 2lbpA1 GLY 125 H -0.13 0.19 -0.20 -0.55 8.43 7.75 2lbpA1 GLY 125 HA2 -0.16 0.03 0.42 -0.51 4.01 3.79 2lbpA1 GLY 125 HA3 -0.13 0.09 0.28 -0.51 4.01 3.74 2lbpA1 PRO 126 HA -0.05 0.06 0.39 -0.51 4.44 4.32 2lbpA1 PRO 126 HB2 -0.01 0.10 -0.08 -0.04 2.28 2.24 2lbpA1 PRO 126 HB3 -0.03 0.05 0.05 -0.04 2.02 2.06 2lbpA1 PRO 126 HG2 -0.02 0.04 0.05 -0.04 2.03 2.05 2lbpA1 PRO 126 HG3 -0.04 0.02 0.02 -0.04 2.03 1.99 2lbpA1 PRO 126 HD2 -0.06 0.20 -0.51 -0.04 3.68 3.28 2lbpA1 PRO 126 HD3 -0.07 0.09 0.11 -0.04 3.65 3.74 2lbpA1 THR 127 H -0.02 0.27 -0.38 -0.55 8.28 7.59 2lbpA1 THR 127 HA 0.03 0.11 0.56 -0.75 4.39 4.33 2lbpA1 THR 127 HB 0.03 0.00 0.10 -0.04 4.32 4.41 2lbpA1 THR 127 HG23 0.06 0.01 -0.12 -0.04 1.22 1.13 2lbpA1 ALA 128 H 0.00 0.48 -0.09 -0.55 8.40 8.25 2lbpA1 ALA 128 HA 0.13 0.02 0.39 -0.75 4.34 4.13 2lbpA1 ALA 128 HB3 0.08 0.03 0.06 -0.04 1.41 1.55 2lbpA1 ALA 129 H -0.06 0.46 -0.01 -0.55 8.40 8.26 2lbpA1 ALA 129 HA -0.07 0.04 0.33 -0.75 4.34 3.89 2lbpA1 ALA 129 HB3 -0.07 0.02 0.00 -0.04 1.41 1.32 2lbpA1 LYS 130 H -0.00 0.36 -0.35 -0.55 8.42 7.88 2lbpA1 LYS 130 HA -0.03 0.11 0.41 -0.75 4.32 4.06 2lbpA1 LYS 130 HB2 -0.01 0.01 0.09 -0.04 1.87 1.92 2lbpA1 LYS 130 HB3 0.03 0.11 0.12 -0.04 1.79 2.00 2lbpA1 LYS 130 HG2 0.04 0.00 -0.22 -0.04 1.46 1.23 2lbpA1 LYS 130 HG3 -0.01 -0.06 0.02 -0.04 1.46 1.37 2lbpA1 LYS 130 HD2 -0.01 0.00 -0.00 -0.04 1.69 1.64 2lbpA1 LYS 130 HD3 -0.01 0.01 0.01 -0.04 1.68 1.65 2lbpA1 LYS 130 HE2 0.01 -0.00 -0.03 -0.04 2.99 2.92 2lbpA1 LYS 130 HE3 -0.00 -0.01 -0.02 -0.04 2.99 2.92 2lbpA1 TYR 131 H 0.14 0.42 -0.24 -0.55 8.29 8.06 2lbpA1 TYR 131 HA -0.03 0.07 0.59 -0.75 4.56 4.45 2lbpA1 TYR 131 HB2 0.01 0.10 0.12 -0.04 3.06 3.25 2lbpA1 TYR 131 HB3 0.03 0.05 0.15 -0.04 2.98 3.17 2lbpA1 TYR 131 HD2 0.02 0.05 -0.09 -0.04 7.15 7.08 2lbpA1 TYR 131 HE2 0.03 0.03 -0.13 -0.04 6.85 6.74 2lbpA1 ILE 132 H 0.05 0.63 -0.01 -0.55 8.25 8.37 2lbpA1 ILE 132 HA -0.25 -0.04 0.42 -0.75 4.18 3.55 2lbpA1 ILE 132 HB -0.16 0.17 0.00 -0.04 1.89 1.87 2lbpA1 ILE 132 HG12 -0.57 -0.05 -0.06 -0.04 1.49 0.77 2lbpA1 ILE 132 HG13 0.08 0.07 0.04 -0.04 1.21 1.36 2lbpA1 ILE 132 HG23 -0.51 0.00 -0.21 -0.04 0.93 0.17 2lbpA1 ILE 132 HD13 0.08 -0.04 -0.21 -0.04 0.88 0.68 2lbpA1 LEU 133 H -0.11 0.26 -0.44 -0.55 8.37 7.53 2lbpA1 LEU 133 HA -0.13 0.11 0.65 -0.75 4.35 4.23 2lbpA1 LEU 133 HB2 -0.08 0.12 0.17 -0.04 1.64 1.81 2lbpA1 LEU 133 HB3 -0.07 -0.01 -0.03 -0.04 1.64 1.49 2lbpA1 LEU 133 HG -0.09 -0.02 -0.04 -0.04 1.64 1.46 2lbpA1 LEU 133 HD13 -0.06 0.01 -0.04 -0.04 0.93 0.80 2lbpA1 LEU 133 HD23 -0.08 0.00 0.01 -0.04 0.89 0.77 2lbpA1 GLU 134 H -0.14 0.34 -0.12 -0.55 8.60 8.14 2lbpA1 GLU 134 HA -0.10 0.16 0.74 -0.75 4.29 4.35 2lbpA1 GLU 134 HB2 -0.10 0.08 0.20 -0.04 2.09 2.23 2lbpA1 GLU 134 HB3 -0.08 -0.05 0.03 -0.04 1.99 1.84 2lbpA1 GLU 134 HG2 -0.06 0.00 -0.00 -0.04 2.34 2.24 2lbpA1 GLU 134 HG3 -0.06 0.02 0.03 -0.04 2.34 2.30 2lbpA1 THR 135 H -0.36 0.47 0.12 -0.55 8.28 7.96 2lbpA1 THR 135 HA -0.19 0.23 0.89 -0.75 4.39 4.56 2lbpA1 THR 135 HB -0.21 -0.02 0.04 -0.04 4.32 4.09 2lbpA1 THR 135 HG23 -0.26 0.03 -0.05 -0.04 1.22 0.89 2lbpA1 VAL 136 H -0.37 0.20 0.10 -0.55 8.24 7.63 2lbpA1 VAL 136 HA -0.11 0.07 0.59 -0.75 4.13 3.92 2lbpA1 VAL 136 HB -0.30 0.08 0.23 -0.04 2.12 2.10 2lbpA1 VAL 136 HG13 -0.01 -0.01 -0.06 -0.04 0.97 0.85 2lbpA1 VAL 136 HG23 -0.03 -0.02 -0.07 -0.04 0.95 0.79 2lbpA1 LYS 137 H -0.20 0.56 0.05 -0.55 8.42 8.27 2lbpA1 LYS 137 HA -0.13 0.09 0.32 -0.75 4.32 3.84 2lbpA1 LYS 137 HB2 -0.08 0.12 -0.05 -0.04 1.87 1.82 2lbpA1 LYS 137 HB3 -0.07 -0.07 0.13 -0.04 1.79 1.75 2lbpA1 LYS 137 HG2 -0.12 0.14 -0.31 -0.04 1.46 1.14 2lbpA1 LYS 137 HG3 -0.10 0.01 -0.49 -0.04 1.46 0.84 2lbpA1 LYS 137 HD2 -0.06 -0.10 -0.04 -0.04 1.69 1.45 2lbpA1 LYS 137 HD3 -0.07 -0.04 0.00 -0.04 1.68 1.54 2lbpA1 LYS 137 HE2 -0.06 -0.14 0.04 -0.04 2.99 2.79 2lbpA1 LYS 137 HE3 -0.08 0.37 0.13 -0.04 2.99 3.37 2lbpA1 PRO 138 HA -0.03 0.10 0.42 -0.51 4.44 4.41 2lbpA1 PRO 138 HB2 0.01 -0.07 -0.16 -0.04 2.28 2.02 2lbpA1 PRO 138 HB3 0.00 0.07 -0.06 -0.04 2.02 1.99 2lbpA1 PRO 138 HG2 -0.22 0.01 -0.17 -0.04 2.03 1.61 2lbpA1 PRO 138 HG3 -0.62 -0.04 -0.08 -0.04 2.03 1.25 2lbpA1 PRO 138 HD2 -0.24 0.18 0.11 -0.04 3.68 3.69 2lbpA1 PRO 138 HD3 -0.28 -0.04 -0.03 -0.04 3.65 3.26 2lbpA1 GLN 139 H -0.00 0.05 0.14 -0.55 8.47 8.11 2lbpA1 GLN 139 HA -0.02 0.18 0.62 -0.75 4.36 4.39 2lbpA1 GLN 139 HB2 0.00 -0.06 0.19 -0.04 2.15 2.24 2lbpA1 GLN 139 HB3 -0.00 0.02 -0.01 -0.04 2.02 1.99 2lbpA1 GLN 139 HG2 -0.01 0.01 0.04 -0.04 2.40 2.40 2lbpA1 GLN 139 HG3 -0.01 0.05 0.03 -0.04 2.39 2.42 2lbpA1 GLN 139 HE21 0.01 -0.01 0.03 -0.04 6.97 6.96 2lbpA1 GLN 139 HE22 0.00 0.02 0.06 -0.04 7.69 7.73 2lbpA1 ARG 140 H 0.01 0.04 0.14 -0.55 8.46 8.10 2lbpA1 ARG 140 HA 0.00 0.32 0.95 -0.75 4.34 4.86 2lbpA1 ARG 140 HB2 0.02 0.05 0.21 -0.04 1.90 2.14 2lbpA1 ARG 140 HB3 0.03 -0.01 0.02 -0.04 1.80 1.79 2lbpA1 ARG 140 HG2 0.02 0.01 -0.02 -0.04 1.67 1.64 2lbpA1 ARG 140 HG3 0.01 -0.10 -0.37 -0.04 1.67 1.17 2lbpA1 ARG 140 HD2 0.02 -0.07 -0.01 -0.04 3.22 3.12 2lbpA1 ARG 140 HD3 0.02 0.14 0.09 -0.04 3.22 3.42 2lbpA1 ILE 141 H -0.00 0.66 0.32 -0.55 8.25 8.68 2lbpA1 ILE 141 HA 0.05 0.32 1.03 -0.75 4.18 4.83 2lbpA1 ILE 141 HB -0.00 0.08 -0.04 -0.04 1.89 1.88 2lbpA1 ILE 141 HG12 0.04 -0.01 -0.22 -0.04 1.49 1.26 2lbpA1 ILE 141 HG13 -0.01 -0.10 -0.55 -0.04 1.21 0.51 2lbpA1 ILE 141 HG23 0.09 -0.03 -0.30 -0.04 0.93 0.65 2lbpA1 ILE 141 HD13 -0.11 0.01 -0.22 -0.04 0.88 0.52 2lbpA1 ALA 142 H -0.13 0.39 0.35 -0.55 8.40 8.47 2lbpA1 ALA 142 HA -0.50 0.18 1.00 -0.75 4.34 4.27 2lbpA1 ALA 142 HB3 -1.04 -0.01 0.02 -0.04 1.41 0.34 2lbpA1 ILE 143 H -0.21 0.60 0.35 -0.55 8.25 8.44 2lbpA1 ILE 143 HA 0.03 0.22 1.05 -0.75 4.18 4.72 2lbpA1 ILE 143 HB 0.23 -0.02 0.14 -0.04 1.89 2.20 2lbpA1 ILE 143 HG12 0.14 -0.00 -0.08 -0.04 1.49 1.50 2lbpA1 ILE 143 HG13 0.06 0.04 -0.32 -0.04 1.21 0.94 2lbpA1 ILE 143 HG23 0.18 0.00 -0.10 -0.04 0.93 0.98 2lbpA1 ILE 143 HD13 0.07 0.01 -0.15 -0.04 0.88 0.77 2lbpA1 ILE 144 H 0.02 0.75 0.38 -0.55 8.25 8.85 2lbpA1 ILE 144 HA -0.29 0.40 0.86 -0.75 4.18 4.39 2lbpA1 ILE 144 HB 0.05 0.02 -0.02 -0.04 1.89 1.90 2lbpA1 ILE 144 HG12 0.02 -0.01 -0.14 -0.04 1.49 1.32 2lbpA1 ILE 144 HG13 -0.15 -0.03 -1.72 -0.04 1.21 -0.74 2lbpA1 ILE 144 HG23 0.05 -0.03 -0.15 -0.04 0.93 0.76 2lbpA1 ILE 144 HD13 0.08 0.01 -0.25 -0.04 0.88 0.68 2lbpA1 HIS 145 H -0.63 0.48 0.42 -0.55 8.41 8.14 2lbpA1 HIS 145 HA -0.39 0.24 0.81 -0.75 4.63 4.53 2lbpA1 HIS 145 HB2 -0.13 -0.33 -0.15 -0.04 3.26 2.60 2lbpA1 HIS 145 HB3 -0.14 0.16 -0.05 -0.04 3.20 3.13 2lbpA1 HIS 145 HD2 -0.67 0.06 -0.21 -0.04 6.97 6.11 2lbpA1 HIS 145 HE1 0.04 0.06 -0.09 -0.04 7.75 7.72 2lbpA1 ASP 146 H 0.01 0.16 0.22 -0.55 8.40 8.24 2lbpA1 ASP 146 HA 0.05 0.34 1.01 -0.75 4.63 5.28 2lbpA1 ASP 146 HB2 0.13 0.00 0.17 -0.04 2.71 2.97 2lbpA1 ASP 146 HB3 0.12 0.06 0.01 -0.04 2.70 2.85 2lbpA1 LYS 147 H 0.46 0.13 -0.10 -0.55 8.42 8.35 2lbpA1 LYS 147 HA 0.26 0.06 0.26 -0.75 4.32 4.14 2lbpA1 LYS 147 HB2 0.09 0.06 0.24 -0.04 1.87 2.22 2lbpA1 LYS 147 HB3 0.11 0.03 0.19 -0.04 1.79 2.08 2lbpA1 LYS 147 HG2 0.09 -0.12 -0.19 -0.04 1.46 1.20 2lbpA1 LYS 147 HG3 0.07 0.06 -0.08 -0.04 1.46 1.48 2lbpA1 LYS 147 HD2 0.08 0.02 -0.02 -0.04 1.69 1.72 2lbpA1 LYS 147 HD3 0.12 -0.02 -0.03 -0.04 1.68 1.71 2lbpA1 LYS 147 HE2 0.03 -0.07 -0.31 -0.04 2.99 2.60 2lbpA1 LYS 147 HE3 0.05 0.03 -0.36 -0.04 2.99 2.67 2lbpA1 GLN 148 H 0.11 -0.11 -0.27 -0.55 8.47 7.65 2lbpA1 GLN 148 HA 0.07 0.32 0.73 -0.75 4.36 4.72 2lbpA1 GLN 148 HB2 0.10 -0.12 -0.01 -0.04 2.15 2.09 2lbpA1 GLN 148 HB3 0.13 -0.16 -0.05 -0.04 2.02 1.90 2lbpA1 GLN 148 HG2 0.15 -0.01 0.02 -0.04 2.40 2.52 2lbpA1 GLN 148 HG3 0.09 0.08 0.04 -0.04 2.39 2.56 2lbpA1 GLN 148 HE21 0.09 0.13 0.10 -0.04 6.97 7.25 2lbpA1 GLN 148 HE22 0.13 -0.09 0.03 -0.04 7.69 7.72 2lbpA1 GLN 149 H 0.07 0.21 0.14 -0.55 8.47 8.34 2lbpA1 GLN 149 HA 0.02 0.16 0.36 -0.75 4.36 4.14 2lbpA1 GLN 149 HB2 0.06 -0.02 0.08 -0.04 2.15 2.23 2lbpA1 GLN 149 HB3 0.03 0.10 0.10 -0.04 2.02 2.20 2lbpA1 GLN 149 HG2 0.05 -0.04 0.13 -0.04 2.40 2.51 2lbpA1 GLN 149 HG3 0.03 0.09 0.07 -0.04 2.39 2.54 2lbpA1 GLN 149 HE21 0.03 0.09 0.00 -0.04 6.97 7.05 2lbpA1 GLN 149 HE22 0.02 0.04 0.02 -0.04 7.69 7.73 2lbpA1 TYR 150 H 0.18 0.09 -0.06 -0.55 8.29 7.94 2lbpA1 TYR 150 HA -0.03 0.12 0.35 -0.75 4.56 4.25 2lbpA1 TYR 150 HB2 0.05 0.07 0.11 -0.04 3.06 3.25 2lbpA1 TYR 150 HB3 -0.09 -0.17 0.12 -0.04 2.98 2.80 2lbpA1 TYR 150 HD2 -0.31 -0.06 -0.03 -0.04 7.15 6.71 2lbpA1 TYR 150 HE2 -0.17 0.08 0.00 -0.04 6.85 6.72 2lbpA1 GLY 151 H 0.06 0.07 -0.09 -0.55 8.43 7.93 2lbpA1 GLY 151 HA2 -0.26 -0.03 0.16 -0.51 4.01 3.37 2lbpA1 GLY 151 HA3 -0.13 0.07 0.00 -0.51 4.01 3.45 2lbpA1 GLU 152 H -0.04 0.61 -0.27 -0.55 8.60 8.35 2lbpA1 GLU 152 HA -0.37 0.03 0.41 -0.75 4.29 3.60 2lbpA1 GLU 152 HB2 -0.10 -0.04 -0.05 -0.04 2.09 1.86 2lbpA1 GLU 152 HB3 -0.11 0.09 -0.12 -0.04 1.99 1.82 2lbpA1 GLU 152 HG2 -0.27 0.03 -0.05 -0.04 2.34 2.02 2lbpA1 GLU 152 HG3 -1.33 -0.10 -0.03 -0.04 2.34 0.84 2lbpA1 GLY 153 H -0.08 0.49 -0.07 -0.55 8.43 8.22 2lbpA1 GLY 153 HA2 -0.07 0.04 0.47 -0.51 4.01 3.94 2lbpA1 GLY 153 HA3 -0.08 0.12 0.41 -0.51 4.01 3.95 2lbpA1 LEU 154 H -0.19 0.53 0.01 -0.55 8.37 8.17 2lbpA1 LEU 154 HA -0.14 0.06 0.48 -0.75 4.35 4.00 2lbpA1 LEU 154 HB2 -0.25 0.01 0.07 -0.04 1.64 1.42 2lbpA1 LEU 154 HB3 -0.11 0.01 0.05 -0.04 1.64 1.55 2lbpA1 LEU 154 HG -0.35 0.00 -0.01 -0.04 1.64 1.24 2lbpA1 LEU 154 HD13 -0.85 -0.03 -0.04 -0.04 0.93 -0.04 2lbpA1 LEU 154 HD23 -0.20 0.07 0.03 -0.04 0.89 0.75 2lbpA1 ALA 155 H -0.02 0.35 -0.31 -0.55 8.40 7.86 2lbpA1 ALA 155 HA 0.03 0.07 0.42 -0.75 4.34 4.10 2lbpA1 ALA 155 HB3 0.16 0.02 -0.02 -0.04 1.41 1.53 2lbpA1 ARG 156 H 0.03 0.55 -0.11 -0.55 8.46 8.38 2lbpA1 ARG 156 HA -0.04 0.05 0.42 -0.75 4.34 4.02 2lbpA1 ARG 156 HB2 -0.06 -0.00 0.11 -0.04 1.90 1.90 2lbpA1 ARG 156 HB3 -0.06 0.11 0.17 -0.04 1.80 1.97 2lbpA1 ARG 156 HG2 -0.12 -0.00 -0.12 -0.04 1.67 1.39 2lbpA1 ARG 156 HG3 -0.23 0.00 0.02 -0.04 1.67 1.42 2lbpA1 ARG 156 HD2 -0.08 -0.00 -0.03 -0.04 3.22 3.07 2lbpA1 ARG 156 HD3 -0.11 0.01 -0.03 -0.04 3.22 3.05 2lbpA1 SER 157 H -0.07 0.32 -0.32 -0.55 8.46 7.85 2lbpA1 SER 157 HA -0.08 0.07 0.31 -0.75 4.49 4.04 2lbpA1 SER 157 HB2 -0.10 0.13 0.17 -0.04 3.95 4.11 2lbpA1 SER 157 HB3 -0.13 0.01 0.04 -0.04 3.93 3.81 2lbpA1 VAL 158 H -0.18 0.31 -0.24 -0.55 8.24 7.59 2lbpA1 VAL 158 HA -0.17 0.05 0.44 -0.75 4.13 3.70 2lbpA1 VAL 158 HB -0.44 0.10 0.15 -0.04 2.12 1.89 2lbpA1 VAL 158 HG13 -0.31 0.00 -0.21 -0.04 0.97 0.40 2lbpA1 VAL 158 HG23 -0.69 0.01 0.09 -0.04 0.95 0.31 2lbpA1 GLN 159 H -0.05 0.59 -0.12 -0.55 8.47 8.35 2lbpA1 GLN 159 HA -0.01 0.06 0.43 -0.75 4.36 4.08 2lbpA1 GLN 159 HB2 0.16 -0.04 0.05 -0.04 2.15 2.27 2lbpA1 GLN 159 HB3 -0.06 0.05 0.13 -0.04 2.02 2.10 2lbpA1 GLN 159 HG2 -0.10 0.02 -0.28 -0.04 2.40 2.00 2lbpA1 GLN 159 HG3 -0.01 0.02 -0.01 -0.04 2.39 2.35 2lbpA1 GLN 159 HE21 -0.94 -0.05 -0.04 -0.04 6.97 5.90 2lbpA1 GLN 159 HE22 -0.36 0.05 -0.04 -0.04 7.69 7.30 2lbpA1 ASP 160 H -0.08 0.48 -0.33 -0.55 8.40 7.92 2lbpA1 ASP 160 HA -0.07 0.01 0.44 -0.75 4.63 4.26 2lbpA1 ASP 160 HB2 -0.07 0.21 0.17 -0.04 2.71 2.97 2lbpA1 ASP 160 HB3 -0.06 -0.04 -0.06 -0.04 2.70 2.51 2lbpA1 GLY 161 H -0.07 0.33 -0.09 -0.55 8.43 8.05 2lbpA1 GLY 161 HA2 -0.05 0.06 0.44 -0.51 4.01 3.96 2lbpA1 GLY 161 HA3 -0.06 -0.06 0.27 -0.51 4.01 3.65 2lbpA1 LEU 162 H -0.07 0.49 -0.29 -0.55 8.37 7.96 2lbpA1 LEU 162 HA -0.06 0.07 0.30 -0.75 4.35 3.91 2lbpA1 LEU 162 HB2 -0.05 0.04 0.14 -0.04 1.64 1.74 2lbpA1 LEU 162 HB3 -0.04 -0.06 -0.15 -0.04 1.64 1.35 2lbpA1 LEU 162 HG -0.08 0.09 -0.04 -0.04 1.64 1.57 2lbpA1 LEU 162 HD13 -0.02 -0.04 -0.19 -0.04 0.93 0.64 2lbpA1 LEU 162 HD23 -0.09 -0.02 -0.09 -0.04 0.89 0.65 2lbpA1 LYS 163 H -0.04 0.38 -0.28 -0.55 8.42 7.92 2lbpA1 LYS 163 HA -0.03 0.12 0.47 -0.75 4.32 4.13 2lbpA1 LYS 163 HB2 -0.03 0.01 0.06 -0.04 1.87 1.87 2lbpA1 LYS 163 HB3 -0.04 -0.01 0.08 -0.04 1.79 1.78 2lbpA1 LYS 163 HG2 -0.03 -0.03 -0.03 -0.04 1.46 1.33 2lbpA1 LYS 163 HG3 -0.03 -0.06 -0.33 -0.04 1.46 1.00 2lbpA1 LYS 163 HD2 -0.02 -0.05 0.04 -0.04 1.69 1.63 2lbpA1 LYS 163 HD3 -0.02 -0.12 0.25 -0.04 1.68 1.75 2lbpA1 LYS 163 HE2 -0.02 0.15 0.05 -0.04 2.99 3.13 2lbpA1 LYS 163 HE3 -0.01 -0.08 0.03 -0.04 2.99 2.88 2lbpA1 ALA 164 H -0.04 0.44 -0.06 -0.55 8.40 8.19 2lbpA1 ALA 164 HA -0.03 -0.05 0.51 -0.75 4.34 4.01 2lbpA1 ALA 164 HB3 -0.03 -0.00 0.17 -0.04 1.41 1.51 2lbpA1 ALA 165 H -0.03 -0.08 0.41 -0.55 8.40 8.16 2lbpA1 ALA 165 HA -0.03 -0.08 0.23 -0.75 4.34 3.71 2lbpA1 ALA 165 HB3 -0.04 0.05 0.14 -0.04 1.41 1.53 2lbpA1 ASN 166 H -0.03 0.19 0.41 -0.55 8.53 8.55 2lbpA1 ASN 166 HA -0.02 0.05 0.45 -0.75 4.76 4.49 2lbpA1 ASN 166 HB2 -0.02 0.09 -0.00 -0.04 2.88 2.90 2lbpA1 ASN 166 HB3 -0.02 -0.03 0.18 -0.04 2.79 2.88 2lbpA1 ASN 166 HD21 -0.02 -0.03 -0.03 -0.04 7.03 6.91 2lbpA1 ASN 166 HD22 -0.02 0.12 -0.25 -0.04 7.74 7.54 2lbpA1 ALA 167 H -0.04 0.48 -0.00 -0.55 8.40 8.30 2lbpA1 ALA 167 HA -0.04 0.10 0.54 -0.75 4.34 4.19 2lbpA1 ALA 167 HB3 -0.05 -0.00 -0.03 -0.04 1.41 1.28 2lbpA1 ASN 168 H -0.03 0.24 0.11 -0.55 8.53 8.30 2lbpA1 ASN 168 HA -0.01 0.11 0.78 -0.75 4.76 4.88 2lbpA1 ASN 168 HB2 -0.01 0.01 0.05 -0.04 2.88 2.89 2lbpA1 ASN 168 HB3 -0.01 0.22 0.29 -0.04 2.79 3.24 2lbpA1 ASN 168 HD21 0.02 -0.04 -0.11 -0.04 7.03 6.86 2lbpA1 ASN 168 HD22 0.01 0.03 -0.16 -0.04 7.74 7.59 2lbpA1 VAL 169 H -0.00 0.29 0.08 -0.55 8.24 8.05 2lbpA1 VAL 169 HA -0.01 0.22 0.82 -0.75 4.13 4.40 2lbpA1 VAL 169 HB 0.02 -0.02 0.09 -0.04 2.12 2.17 2lbpA1 VAL 169 HG13 0.03 -0.02 -0.17 -0.04 0.97 0.77 2lbpA1 VAL 169 HG23 -0.00 0.02 -0.19 -0.04 0.95 0.74 2lbpA1 VAL 170 H -0.02 0.29 0.18 -0.55 8.24 8.14 2lbpA1 VAL 170 HA 0.08 0.06 0.45 -0.75 4.13 3.96 2lbpA1 VAL 170 HB 0.04 -0.07 -0.02 -0.04 2.12 2.04 2lbpA1 VAL 170 HG13 0.24 0.01 -0.09 -0.04 0.97 1.08 2lbpA1 VAL 170 HG23 0.04 0.03 -0.02 -0.04 0.95 0.96 2lbpA1 PHE 171 H -0.28 0.18 0.18 -0.55 8.34 7.87 2lbpA1 PHE 171 HA 0.08 0.21 0.67 -0.75 4.62 4.83 2lbpA1 PHE 171 HB2 0.06 -0.03 0.06 -0.04 3.15 3.19 2lbpA1 PHE 171 HB3 0.04 0.12 -0.05 -0.04 3.06 3.13 2lbpA1 PHE 171 HD2 0.02 0.02 -0.25 -0.04 7.28 7.03 2lbpA1 PHE 171 HE2 -0.01 0.01 -0.17 -0.04 7.38 7.17 2lbpA1 PHE 171 HZ -0.01 -0.01 -0.19 -0.04 7.32 7.07 2lbpA1 PHE 172 H 0.35 0.29 0.12 -0.55 8.34 8.54 2lbpA1 PHE 172 HA 0.03 0.28 0.83 -0.75 4.62 5.01 2lbpA1 PHE 172 HB2 0.03 0.06 0.01 -0.04 3.15 3.20 2lbpA1 PHE 172 HB3 0.07 -0.00 0.11 -0.04 3.06 3.20 2lbpA1 PHE 172 HD2 0.08 0.01 -0.14 -0.04 7.28 7.19 2lbpA1 PHE 172 HE2 0.10 -0.07 -0.28 -0.04 7.38 7.10 2lbpA1 PHE 172 HZ -0.17 -0.06 -0.09 -0.04 7.32 6.96 2lbpA1 ASP 173 H -0.30 0.62 0.37 -0.55 8.40 8.53 2lbpA1 ASP 173 HA 0.05 0.17 0.84 -0.75 4.63 4.93 2lbpA1 ASP 173 HB2 0.32 -0.02 -0.20 -0.04 2.71 2.77 2lbpA1 ASP 173 HB3 0.05 -0.01 -0.22 -0.04 2.70 2.47 2lbpA1 GLY 174 H -0.07 0.23 0.21 -0.55 8.43 8.25 2lbpA1 GLY 174 HA2 -0.81 0.14 0.87 -0.51 4.01 3.70 2lbpA1 GLY 174 HA3 -0.24 -0.02 0.26 -0.51 4.01 3.51 2lbpA1 ILE 175 H -0.11 0.40 0.41 -0.55 8.25 8.40 2lbpA1 ILE 175 HA 0.06 0.13 0.68 -0.75 4.18 4.29 2lbpA1 ILE 175 HB 0.04 0.07 -0.04 -0.04 1.89 1.92 2lbpA1 ILE 175 HG12 0.03 -0.01 -0.10 -0.04 1.49 1.37 2lbpA1 ILE 175 HG13 0.19 -0.03 0.03 -0.04 1.21 1.36 2lbpA1 ILE 175 HG23 0.11 -0.01 -0.28 -0.04 0.93 0.71 2lbpA1 ILE 175 HD13 0.03 0.10 -0.28 -0.04 0.88 0.69 2lbpA1 THR 176 H 0.11 0.18 0.06 -0.55 8.28 8.08 2lbpA1 THR 176 HA 0.06 0.11 0.63 -0.75 4.39 4.45 2lbpA1 THR 176 HB 0.04 -0.07 0.15 -0.04 4.32 4.40 2lbpA1 THR 176 HG23 0.02 0.04 -0.02 -0.04 1.22 1.22 2lbpA1 ALA 177 H 0.09 0.28 0.15 -0.55 8.40 8.37 2lbpA1 ALA 177 HA 0.13 -0.02 0.52 -0.75 4.34 4.22 2lbpA1 ALA 177 HB3 0.10 0.00 0.18 -0.04 1.41 1.65 2lbpA1 GLY 178 H 0.09 0.13 0.14 -0.55 8.43 8.24 2lbpA1 GLY 178 HA2 0.02 0.00 0.27 -0.51 4.01 3.79 2lbpA1 GLY 178 HA3 0.02 0.15 0.52 -0.51 4.01 4.19 2lbpA1 GLU 179 H 0.08 0.26 -0.27 -0.55 8.60 8.13 2lbpA1 GLU 179 HA -0.11 0.03 0.43 -0.75 4.29 3.89 2lbpA1 GLU 179 HB2 0.20 0.06 0.14 -0.04 2.09 2.45 2lbpA1 GLU 179 HB3 -0.59 -0.08 -0.17 -0.04 1.99 1.11 2lbpA1 GLU 179 HG2 -0.03 0.00 0.07 -0.04 2.34 2.33 2lbpA1 GLU 179 HG3 0.10 -0.10 0.18 -0.04 2.34 2.49 2lbpA1 LYS 180 H -0.23 0.11 0.19 -0.55 8.42 7.94 2lbpA1 LYS 180 HA -0.18 0.27 0.96 -0.75 4.32 4.61 2lbpA1 LYS 180 HB2 -0.09 0.03 0.12 -0.04 1.87 1.89 2lbpA1 LYS 180 HB3 -0.08 0.07 -0.02 -0.04 1.79 1.72 2lbpA1 LYS 180 HG2 -0.11 -0.04 0.11 -0.04 1.46 1.38 2lbpA1 LYS 180 HG3 -0.12 -0.00 -0.05 -0.04 1.46 1.24 2lbpA1 LYS 180 HD2 -0.05 0.02 0.01 -0.04 1.69 1.64 2lbpA1 LYS 180 HD3 -0.05 0.00 0.01 -0.04 1.68 1.60 2lbpA1 LYS 180 HE2 -0.05 -0.01 -0.02 -0.04 2.99 2.87 2lbpA1 LYS 180 HE3 -0.05 0.01 0.00 -0.04 2.99 2.91 2lbpA1 ASP 181 H -0.50 0.08 0.04 -0.55 8.40 7.47 2lbpA1 ASP 181 HA -0.27 0.19 0.86 -0.75 4.63 4.66 2lbpA1 ASP 181 HB2 -0.15 0.09 -0.10 -0.04 2.71 2.50 2lbpA1 ASP 181 HB3 -0.18 -0.01 0.17 -0.04 2.70 2.63 2lbpA1 PHE 182 H -0.11 0.33 0.02 -0.55 8.34 8.02 2lbpA1 PHE 182 HA -0.03 0.13 0.72 -0.75 4.62 4.69 2lbpA1 PHE 182 HB2 -0.05 0.13 -0.00 -0.04 3.15 3.19 2lbpA1 PHE 182 HB3 -0.04 -0.05 0.09 -0.04 3.06 3.02 2lbpA1 PHE 182 HD2 -0.06 0.05 -0.19 -0.04 7.28 7.03 2lbpA1 PHE 182 HE2 -0.06 0.02 -0.14 -0.04 7.38 7.16 2lbpA1 PHE 182 HZ -0.06 0.05 -0.09 -0.04 7.32 7.18 2lbpA1 SER 183 H -0.04 0.14 -0.33 -0.55 8.46 7.69 2lbpA1 SER 183 HA 0.04 0.14 0.32 -0.75 4.49 4.24 2lbpA1 SER 183 HB2 0.00 0.08 0.05 -0.04 3.95 4.05 2lbpA1 SER 183 HB3 0.00 0.07 0.07 -0.04 3.93 4.03 2lbpA1 ALA 184 H 0.01 0.10 -0.27 -0.55 8.40 7.69 2lbpA1 ALA 184 HA -0.00 0.15 0.45 -0.75 4.34 4.18 2lbpA1 ALA 184 HB3 -0.01 0.03 0.04 -0.04 1.41 1.42 2lbpA1 LEU 185 H 0.08 0.05 -0.17 -0.55 8.37 7.78 2lbpA1 LEU 185 HA 0.03 0.08 0.37 -0.75 4.35 4.07 2lbpA1 LEU 185 HB2 0.11 -0.02 0.04 -0.04 1.64 1.73 2lbpA1 LEU 185 HB3 0.17 0.03 0.12 -0.04 1.64 1.92 2lbpA1 LEU 185 HG 0.08 0.06 -0.35 -0.04 1.64 1.39 2lbpA1 LEU 185 HD13 0.16 -0.00 -0.12 -0.04 0.93 0.93 2lbpA1 LEU 185 HD23 -0.06 -0.01 -0.12 -0.04 0.89 0.66 2lbpA1 ILE 186 H 0.09 0.68 -0.14 -0.55 8.25 8.34 2lbpA1 ILE 186 HA 0.09 0.02 0.33 -0.75 4.18 3.86 2lbpA1 ILE 186 HB 0.07 0.04 -0.02 -0.04 1.89 1.94 2lbpA1 ILE 186 HG12 0.09 0.01 -0.08 -0.04 1.49 1.47 2lbpA1 ILE 186 HG13 0.09 -0.09 -0.08 -0.04 1.21 1.10 2lbpA1 ILE 186 HG23 0.05 0.03 -0.22 -0.04 0.93 0.75 2lbpA1 ILE 186 HD13 0.06 0.07 -0.41 -0.04 0.88 0.55 2lbpA1 ALA 187 H 0.03 0.47 -0.24 -0.55 8.40 8.11 2lbpA1 ALA 187 HA 0.02 0.08 0.56 -0.75 4.34 4.24 2lbpA1 ALA 187 HB3 0.00 0.01 0.11 -0.04 1.41 1.49 2lbpA1 ARG 188 H -0.00 0.43 -0.33 -0.55 8.46 8.00 2lbpA1 ARG 188 HA -0.05 0.05 0.48 -0.75 4.34 4.06 2lbpA1 ARG 188 HB2 -0.15 0.01 0.08 -0.04 1.90 1.80 2lbpA1 ARG 188 HB3 -0.13 0.10 0.11 -0.04 1.80 1.85 2lbpA1 ARG 188 HG2 -0.43 -0.02 -0.10 -0.04 1.67 1.08 2lbpA1 ARG 188 HG3 -0.30 -0.01 0.03 -0.04 1.67 1.36 2lbpA1 ARG 188 HD2 -0.50 -0.03 -0.05 -0.04 3.22 2.60 2lbpA1 ARG 188 HD3 -1.73 -0.03 -0.10 -0.04 3.22 1.32 2lbpA1 LEU 189 H 0.08 0.35 -0.19 -0.55 8.37 8.06 2lbpA1 LEU 189 HA 0.18 0.04 0.48 -0.75 4.35 4.30 2lbpA1 LEU 189 HB2 0.08 0.11 0.02 -0.04 1.64 1.81 2lbpA1 LEU 189 HB3 0.04 0.02 -0.01 -0.04 1.64 1.65 2lbpA1 LEU 189 HG 0.21 0.07 -0.10 -0.04 1.64 1.78 2lbpA1 LEU 189 HD13 0.05 -0.01 -0.15 -0.04 0.93 0.78 2lbpA1 LEU 189 HD23 0.09 -0.01 -0.11 -0.04 0.89 0.82 2lbpA1 LYS 190 H 0.05 0.24 -0.33 -0.55 8.42 7.82 2lbpA1 LYS 190 HA 0.03 0.07 0.43 -0.75 4.32 4.10 2lbpA1 LYS 190 HB2 0.03 0.06 0.18 -0.04 1.87 2.10 2lbpA1 LYS 190 HB3 0.02 0.03 0.23 -0.04 1.79 2.03 2lbpA1 LYS 190 HG2 0.02 -0.02 -0.08 -0.04 1.46 1.33 2lbpA1 LYS 190 HG3 0.02 0.01 0.03 -0.04 1.46 1.48 2lbpA1 LYS 190 HD2 0.02 0.00 -0.00 -0.04 1.69 1.67 2lbpA1 LYS 190 HD3 0.03 0.03 -0.01 -0.04 1.68 1.69 2lbpA1 LYS 190 HE2 0.02 -0.02 0.02 -0.04 2.99 2.98 2lbpA1 LYS 190 HE3 0.02 -0.02 0.05 -0.04 2.99 3.00 2lbpA1 LYS 191 H 0.02 0.49 0.00 -0.55 8.42 8.37 2lbpA1 LYS 191 HA 0.02 0.06 0.33 -0.75 4.32 3.98 2lbpA1 LYS 191 HB2 0.00 -0.03 0.08 -0.04 1.87 1.88 2lbpA1 LYS 191 HB3 -0.01 0.07 0.13 -0.04 1.79 1.94 2lbpA1 LYS 191 HG2 -0.01 0.02 -0.32 -0.04 1.46 1.11 2lbpA1 LYS 191 HG3 0.01 0.01 -0.25 -0.04 1.46 1.19 2lbpA1 LYS 191 HD2 -0.00 -0.02 -0.02 -0.04 1.69 1.60 2lbpA1 LYS 191 HD3 -0.02 -0.03 -0.04 -0.04 1.68 1.55 2lbpA1 LYS 191 HE2 -0.02 0.02 -0.08 -0.04 2.99 2.87 2lbpA1 LYS 191 HE3 -0.00 0.01 -0.05 -0.04 2.99 2.90 2lbpA1 GLU 192 H 0.05 0.46 -0.28 -0.55 8.60 8.29 2lbpA1 GLU 192 HA 0.06 0.05 0.51 -0.75 4.29 4.15 2lbpA1 GLU 192 HB2 0.23 0.08 0.07 -0.04 2.09 2.43 2lbpA1 GLU 192 HB3 0.19 -0.07 0.01 -0.04 1.99 2.09 2lbpA1 GLU 192 HG2 -0.02 0.03 0.02 -0.04 2.34 2.33 2lbpA1 GLU 192 HG3 0.30 -0.08 -0.06 -0.04 2.34 2.46 2lbpA1 ASN 193 H 0.05 0.22 -0.97 -0.55 8.53 7.28 2lbpA1 ASN 193 HA 0.03 0.10 0.32 -0.75 4.76 4.45 2lbpA1 ASN 193 HB2 0.03 0.07 -0.15 -0.04 2.88 2.79 2lbpA1 ASN 193 HB3 0.03 0.10 -0.42 -0.04 2.79 2.46 2lbpA1 ASN 193 HD21 0.02 -0.07 0.01 -0.04 7.03 6.95 2lbpA1 ASN 193 HD22 0.02 0.03 0.01 -0.04 7.74 7.77 2lbpA1 ILE 194 H 0.05 0.42 -0.00 -0.55 8.25 8.17 2lbpA1 ILE 194 HA 0.02 0.12 0.53 -0.75 4.18 4.10 2lbpA1 ILE 194 HB 0.03 -0.05 0.08 -0.04 1.89 1.91 2lbpA1 ILE 194 HG12 0.20 -0.01 -0.08 -0.04 1.49 1.55 2lbpA1 ILE 194 HG13 0.08 -0.11 -0.09 -0.04 1.21 1.05 2lbpA1 ILE 194 HG23 -0.10 -0.01 -0.14 -0.04 0.93 0.64 2lbpA1 ILE 194 HD13 0.10 0.07 -0.31 -0.04 0.88 0.70 2lbpA1 ASP 195 H 0.01 0.48 0.38 -0.55 8.40 8.72 2lbpA1 ASP 195 HA -0.02 0.14 0.92 -0.75 4.63 4.92 2lbpA1 ASP 195 HB2 0.03 0.03 0.17 -0.04 2.71 2.89 2lbpA1 ASP 195 HB3 0.02 0.08 -0.02 -0.04 2.70 2.73 2lbpA1 PHE 196 H 0.00 0.23 0.17 -0.55 8.34 8.18 2lbpA1 PHE 196 HA -0.14 0.26 0.76 -0.75 4.62 4.74 2lbpA1 PHE 196 HB2 -0.04 0.08 -0.10 -0.04 3.15 3.05 2lbpA1 PHE 196 HB3 -0.05 -0.05 -0.01 -0.04 3.06 2.91 2lbpA1 PHE 196 HD2 -0.01 -0.00 -0.25 -0.04 7.28 6.99 2lbpA1 PHE 196 HE2 0.12 -0.05 -0.20 -0.04 7.38 7.21 2lbpA1 PHE 196 HZ 0.16 -0.09 -0.12 -0.04 7.32 7.23 2lbpA1 VAL 197 H -0.90 0.81 0.35 -0.55 8.24 7.96 2lbpA1 VAL 197 HA -0.22 0.35 0.97 -0.75 4.13 4.48 2lbpA1 VAL 197 HB -1.07 0.01 0.06 -0.04 2.12 1.08 2lbpA1 VAL 197 HG13 -0.06 -0.02 -0.30 -0.04 0.97 0.55 2lbpA1 VAL 197 HG23 -0.42 -0.01 -0.17 -0.04 0.95 0.30 2lbpA1 TYR 198 H 0.06 0.44 0.29 -0.55 8.29 8.53 2lbpA1 TYR 198 HA -0.05 0.14 0.81 -0.75 4.56 4.71 2lbpA1 TYR 198 HB2 0.31 0.06 -0.03 -0.04 3.06 3.36 2lbpA1 TYR 198 HB3 0.10 -0.02 0.11 -0.04 2.98 3.13 2lbpA1 TYR 198 HD2 0.08 -0.01 -0.24 -0.04 7.15 6.94 2lbpA1 TYR 198 HE2 -0.04 -0.07 -0.28 -0.04 6.85 6.41 2lbpA1 TYR 199 H -0.56 0.69 0.22 -0.55 8.29 8.08 2lbpA1 TYR 199 HA -0.14 0.42 0.90 -0.75 4.56 4.98 2lbpA1 TYR 199 HB2 -0.10 0.01 -0.12 -0.04 3.06 2.81 2lbpA1 TYR 199 HB3 -0.19 0.09 0.06 -0.04 2.98 2.90 2lbpA1 TYR 199 HD2 -0.16 0.04 -0.29 -0.04 7.15 6.70 2lbpA1 TYR 199 HE2 -0.13 0.04 -0.32 -0.04 6.85 6.39 2lbpA1 GLY 200 H -0.41 0.65 0.39 -0.55 8.43 8.52 2lbpA1 GLY 200 HA2 -0.41 0.11 0.95 -0.51 4.01 4.16 2lbpA1 GLY 200 HA3 -0.19 0.11 0.44 -0.51 4.01 3.87 2lbpA1 GLY 201 H -0.40 0.48 0.25 -0.55 8.43 8.21 2lbpA1 GLY 201 HA2 -0.38 -0.12 0.35 -0.51 4.01 3.35 2lbpA1 GLY 201 HA3 -0.42 0.11 0.50 -0.51 4.01 3.69 2lbpA1 TYR 202 H 0.02 0.11 0.14 -0.55 8.29 8.01 2lbpA1 TYR 202 HA 0.04 0.27 0.58 -0.75 4.56 4.71 2lbpA1 TYR 202 HB2 -0.11 -0.04 0.06 -0.04 3.06 2.93 2lbpA1 TYR 202 HB3 -0.20 0.06 0.14 -0.04 2.98 2.95 2lbpA1 TYR 202 HD2 -0.05 0.10 0.08 -0.04 7.15 7.24 2lbpA1 TYR 202 HE2 -0.30 0.01 0.02 -0.04 6.85 6.54 2lbpA1 TYR 203 H 0.27 0.41 0.24 -0.55 8.29 8.66 2lbpA1 TYR 203 HA -0.03 0.06 0.38 -0.75 4.56 4.21 2lbpA1 TYR 203 HB2 -0.07 0.01 0.06 -0.04 3.06 3.01 2lbpA1 TYR 203 HB3 -0.04 0.14 0.24 -0.04 2.98 3.27 2lbpA1 TYR 203 HD2 0.01 0.11 -0.10 -0.04 7.15 7.13 2lbpA1 TYR 203 HE2 -0.01 0.04 -0.01 -0.04 6.85 6.83 2lbpA1 PRO 204 HA -0.04 0.14 0.35 -0.51 4.44 4.39 2lbpA1 PRO 204 HB2 -0.11 -0.04 0.00 -0.04 2.28 2.09 2lbpA1 PRO 204 HB3 -0.12 0.13 0.04 -0.04 2.02 2.02 2lbpA1 PRO 204 HG2 -0.46 0.04 0.03 -0.04 2.03 1.61 2lbpA1 PRO 204 HG3 -0.81 0.10 0.04 -0.04 2.03 1.32 2lbpA1 PRO 204 HD2 -0.36 -0.04 -0.16 -0.04 3.68 3.08 2lbpA1 PRO 204 HD3 -2.33 0.11 0.14 -0.04 3.65 1.54 2lbpA1 GLU 205 H -0.01 0.15 -0.37 -0.55 8.60 7.82 2lbpA1 GLU 205 HA -0.02 0.14 0.39 -0.75 4.29 4.05 2lbpA1 GLU 205 HB2 0.11 0.11 0.07 -0.04 2.09 2.33 2lbpA1 GLU 205 HB3 -0.36 0.04 -0.13 -0.04 1.99 1.51 2lbpA1 GLU 205 HG2 0.20 -0.03 -0.03 -0.04 2.34 2.44 2lbpA1 GLU 205 HG3 0.12 0.08 -0.01 -0.04 2.34 2.49 2lbpA1 MET 206 H -0.08 0.33 -0.05 -0.55 8.47 8.13 2lbpA1 MET 206 HA -0.51 0.01 0.33 -0.75 4.52 3.60 2lbpA1 MET 206 HB2 -0.01 -0.02 -0.08 -0.04 2.15 1.99 2lbpA1 MET 206 HB3 -0.07 0.02 0.03 -0.04 2.03 1.97 2lbpA1 MET 206 HG2 -0.14 0.02 -0.13 -0.04 2.63 2.33 2lbpA1 MET 206 HG3 -0.24 0.04 -0.26 -0.04 2.56 2.05 2lbpA1 MET 206 HE3 -0.02 0.05 -0.22 -0.04 2.10 1.87 2lbpA1 GLY 207 H -0.08 0.59 -0.24 -0.55 8.43 8.15 2lbpA1 GLY 207 HA2 -0.12 0.04 0.29 -0.51 4.01 3.71 2lbpA1 GLY 207 HA3 -0.04 0.07 0.14 -0.51 4.01 3.68 2lbpA1 GLN 208 H -0.07 0.31 -0.23 -0.55 8.47 7.93 2lbpA1 GLN 208 HA 0.02 0.13 0.45 -0.75 4.36 4.20 2lbpA1 GLN 208 HB2 0.33 0.01 0.06 -0.04 2.15 2.52 2lbpA1 GLN 208 HB3 0.24 -0.01 0.00 -0.04 2.02 2.21 2lbpA1 GLN 208 HG2 0.06 0.09 0.10 -0.04 2.40 2.62 2lbpA1 GLN 208 HG3 0.17 -0.00 0.06 -0.04 2.39 2.57 2lbpA1 GLN 208 HE21 0.02 0.01 0.00 -0.04 6.97 6.96 2lbpA1 GLN 208 HE22 0.03 -0.02 -0.02 -0.04 7.69 7.64 2lbpA1 MET 209 H -0.33 0.51 -0.12 -0.55 8.47 7.98 2lbpA1 MET 209 HA -0.21 -0.03 0.39 -0.75 4.52 3.93 2lbpA1 MET 209 HB2 -0.62 0.11 0.08 -0.04 2.15 1.68 2lbpA1 MET 209 HB3 -0.62 0.05 -0.14 -0.04 2.03 1.27 2lbpA1 MET 209 HG2 -0.43 -0.04 -0.07 -0.04 2.63 2.05 2lbpA1 MET 209 HG3 -1.24 -0.03 -0.09 -0.04 2.56 1.17 2lbpA1 MET 209 HE3 0.18 0.02 -0.17 -0.04 2.10 2.08 2lbpA1 LEU 210 H -0.46 0.73 -0.04 -0.55 8.37 8.06 2lbpA1 LEU 210 HA -0.52 0.05 0.31 -0.75 4.35 3.44 2lbpA1 LEU 210 HB2 -0.25 -0.01 -0.00 -0.04 1.64 1.34 2lbpA1 LEU 210 HB3 -0.21 0.12 -0.24 -0.04 1.64 1.27 2lbpA1 LEU 210 HG -0.57 0.07 -0.02 -0.04 1.64 1.08 2lbpA1 LEU 210 HD13 -0.20 -0.01 -0.17 -0.04 0.93 0.51 2lbpA1 LEU 210 HD23 -0.61 0.04 -0.06 -0.04 0.89 0.21 2lbpA1 ARG 211 H -0.13 0.40 -0.43 -0.55 8.46 7.75 2lbpA1 ARG 211 HA -0.04 0.01 0.44 -0.75 4.34 4.00 2lbpA1 ARG 211 HB2 -0.03 0.16 0.24 -0.04 1.90 2.23 2lbpA1 ARG 211 HB3 -0.02 0.00 0.18 -0.04 1.80 1.92 2lbpA1 ARG 211 HG2 -0.00 -0.06 -0.12 -0.04 1.67 1.44 2lbpA1 ARG 211 HG3 -0.01 -0.05 0.12 -0.04 1.67 1.69 2lbpA1 ARG 211 HD2 0.00 -0.07 0.03 -0.04 3.22 3.14 2lbpA1 ARG 211 HD3 -0.00 0.29 0.15 -0.04 3.22 3.62 2lbpA1 GLN 212 H -0.05 0.44 -0.28 -0.55 8.47 8.03 2lbpA1 GLN 212 HA 0.02 -0.01 0.49 -0.75 4.36 4.10 2lbpA1 GLN 212 HB2 0.06 0.58 0.28 -0.04 2.15 3.04 2lbpA1 GLN 212 HB3 0.03 0.04 0.17 -0.04 2.02 2.22 2lbpA1 GLN 212 HG2 0.17 -0.17 -0.12 -0.04 2.40 2.24 2lbpA1 GLN 212 HG3 0.06 -0.01 -0.04 -0.04 2.39 2.36 2lbpA1 GLN 212 HE21 0.02 0.05 0.07 -0.04 6.97 7.07 2lbpA1 GLN 212 HE22 0.05 0.18 0.07 -0.04 7.69 7.95 2lbpA1 ALA 213 H -0.06 0.81 0.01 -0.55 8.40 8.61 2lbpA1 ALA 213 HA 0.06 0.02 0.49 -0.75 4.34 4.15 2lbpA1 ALA 213 HB3 0.11 0.00 -0.04 -0.04 1.41 1.44 2lbpA1 ARG 214 H -0.00 0.37 -0.24 -0.55 8.46 8.04 2lbpA1 ARG 214 HA 0.04 0.19 0.64 -0.75 4.34 4.46 2lbpA1 ARG 214 HB2 -0.00 0.09 0.13 -0.04 1.90 2.08 2lbpA1 ARG 214 HB3 0.02 -0.05 0.03 -0.04 1.80 1.76 2lbpA1 ARG 214 HG2 0.02 -0.07 -0.00 -0.04 1.67 1.58 2lbpA1 ARG 214 HG3 0.00 -0.06 0.08 -0.04 1.67 1.65 2lbpA1 ARG 214 HD2 0.04 -0.09 0.02 -0.04 3.22 3.15 2lbpA1 ARG 214 HD3 0.06 0.22 0.00 -0.04 3.22 3.47 2lbpA1 SER 215 H 0.01 0.29 -0.16 -0.55 8.46 8.05 2lbpA1 SER 215 HA 0.01 0.10 0.56 -0.75 4.49 4.41 2lbpA1 SER 215 HB2 0.01 -0.05 0.14 -0.04 3.95 4.01 2lbpA1 SER 215 HB3 0.01 0.25 0.22 -0.04 3.93 4.37 2lbpA1 VAL 216 H 0.02 0.12 -0.41 -0.55 8.24 7.43 2lbpA1 VAL 216 HA 0.02 0.09 0.55 -0.75 4.13 4.03 2lbpA1 VAL 216 HB 0.03 0.13 0.09 -0.04 2.12 2.32 2lbpA1 VAL 216 HG13 0.04 0.01 -0.10 -0.04 0.97 0.87 2lbpA1 VAL 216 HG23 0.02 -0.03 -0.00 -0.04 0.95 0.90 2lbpA1 GLY 217 H 0.03 0.04 -0.51 -0.55 8.43 7.44 2lbpA1 GLY 217 HA2 0.03 0.11 0.19 -0.51 4.01 3.83 2lbpA1 GLY 217 HA3 0.03 0.07 0.50 -0.51 4.01 4.10 2lbpA1 LEU 218 H 0.05 0.56 0.21 -0.55 8.37 8.64 2lbpA1 LEU 218 HA 0.04 -0.00 0.53 -0.75 4.35 4.17 2lbpA1 LEU 218 HB2 0.07 0.10 0.16 -0.04 1.64 1.92 2lbpA1 LEU 218 HB3 0.10 -0.04 0.01 -0.04 1.64 1.68 2lbpA1 LEU 218 HG 0.04 -0.06 -0.02 -0.04 1.64 1.56 2lbpA1 LEU 218 HD13 0.03 0.00 -0.01 -0.04 0.93 0.91 2lbpA1 LEU 218 HD23 0.06 -0.05 -0.05 -0.04 0.89 0.81 2lbpA1 LYS 219 H 0.03 0.12 0.21 -0.55 8.42 8.23 2lbpA1 LYS 219 HA 0.05 0.19 0.73 -0.75 4.32 4.53 2lbpA1 LYS 219 HB2 0.03 -0.02 0.11 -0.04 1.87 1.95 2lbpA1 LYS 219 HB3 0.03 -0.01 0.10 -0.04 1.79 1.88 2lbpA1 LYS 219 HG2 0.03 -0.05 0.03 -0.04 1.46 1.43 2lbpA1 LYS 219 HG3 0.03 -0.00 0.05 -0.04 1.46 1.50 2lbpA1 LYS 219 HD2 0.03 0.03 -0.44 -0.04 1.69 1.27 2lbpA1 LYS 219 HD3 0.03 -0.02 -0.00 -0.04 1.68 1.64 2lbpA1 LYS 219 HE2 0.03 -0.07 -0.02 -0.04 2.99 2.88 2lbpA1 LYS 219 HE3 0.03 0.03 -0.11 -0.04 2.99 2.90 2lbpA1 THR 220 H 0.02 -0.08 -0.10 -0.55 8.28 7.57 2lbpA1 THR 220 HA -0.07 0.05 0.29 -0.75 4.39 3.92 2lbpA1 THR 220 HB -0.28 -0.06 -0.25 -0.04 4.32 3.69 2lbpA1 THR 220 HG23 -0.40 -0.00 -0.38 -0.04 1.22 0.39 2lbpA1 GLN 221 H -0.14 0.30 -0.02 -0.55 8.47 8.06 2lbpA1 GLN 221 HA 0.03 0.14 0.67 -0.75 4.36 4.45 2lbpA1 GLN 221 HB2 0.08 0.08 0.11 -0.04 2.15 2.37 2lbpA1 GLN 221 HB3 0.08 0.21 0.29 -0.04 2.02 2.56 2lbpA1 GLN 221 HG2 0.36 -0.01 0.00 -0.04 2.40 2.71 2lbpA1 GLN 221 HG3 -0.06 -0.12 -0.35 -0.04 2.39 1.82 2lbpA1 GLN 221 HE21 0.14 0.06 0.06 -0.04 6.97 7.19 2lbpA1 GLN 221 HE22 0.14 -0.01 0.04 -0.04 7.69 7.83 2lbpA1 PHE 222 H 0.11 0.26 0.17 -0.55 8.34 8.33 2lbpA1 PHE 222 HA -0.40 0.25 1.02 -0.75 4.62 4.73 2lbpA1 PHE 222 HB2 -0.13 0.04 0.05 -0.04 3.15 3.07 2lbpA1 PHE 222 HB3 -0.19 -0.02 -0.04 -0.04 3.06 2.77 2lbpA1 PHE 222 HD2 -0.15 0.07 -0.20 -0.04 7.28 6.96 2lbpA1 PHE 222 HE2 -0.13 0.01 -0.22 -0.04 7.38 6.99 2lbpA1 PHE 222 HZ -0.10 -0.04 -0.21 -0.04 7.32 6.93 2lbpA1 MET 223 H -0.33 0.71 0.46 -0.55 8.47 8.77 2lbpA1 MET 223 HA 0.01 0.24 1.08 -0.75 4.52 5.10 2lbpA1 MET 223 HB2 0.24 0.02 0.05 -0.04 2.15 2.43 2lbpA1 MET 223 HB3 0.21 -0.07 -0.07 -0.04 2.03 2.05 2lbpA1 MET 223 HG2 0.19 -0.02 0.12 -0.04 2.63 2.88 2lbpA1 MET 223 HG3 0.51 0.05 -0.04 -0.04 2.56 3.04 2lbpA1 MET 223 HE3 0.49 0.03 -0.04 -0.04 2.10 2.53 2lbpA1 GLY 224 H -0.04 0.45 0.23 -0.55 8.43 8.53 2lbpA1 GLY 224 HA2 -0.50 0.27 0.76 -0.51 4.01 4.03 2lbpA1 GLY 224 HA3 -0.15 -0.01 0.37 -0.51 4.01 3.71 2lbpA1 PRO 225 HA 0.04 0.17 0.77 -0.51 4.44 4.90 2lbpA1 PRO 225 HB2 -0.03 -0.10 0.15 -0.04 2.28 2.26 2lbpA1 PRO 225 HB3 -0.06 0.10 0.12 -0.04 2.02 2.14 2lbpA1 PRO 225 HG2 0.00 -0.02 0.10 -0.04 2.03 2.07 2lbpA1 PRO 225 HG3 -0.24 -0.09 0.21 -0.04 2.03 1.86 2lbpA1 PRO 225 HD2 -0.17 0.12 0.32 -0.04 3.68 3.91 2lbpA1 PRO 225 HD3 -0.41 0.45 0.41 -0.04 3.65 4.06 2lbpA1 GLU 226 H 0.11 0.14 0.23 -0.55 8.60 8.54 2lbpA1 GLU 226 HA 0.13 0.24 0.28 -0.75 4.29 4.19 2lbpA1 GLU 226 HB2 0.20 0.03 0.24 -0.04 2.09 2.52 2lbpA1 GLU 226 HB3 0.38 0.24 0.29 -0.04 1.99 2.86 2lbpA1 GLU 226 HG2 0.42 -0.03 0.09 -0.04 2.34 2.77 2lbpA1 GLU 226 HG3 0.25 -0.08 -0.07 -0.04 2.34 2.40 2lbpA1 GLY 227 H 0.30 0.03 -0.23 -0.55 8.43 7.98 2lbpA1 GLY 227 HA2 0.19 0.04 0.36 -0.51 4.01 4.10 2lbpA1 GLY 227 HA3 0.11 -0.02 0.29 -0.51 4.01 3.88 2lbpA1 VAL 228 H 0.02 0.61 -0.42 -0.55 8.24 7.90 2lbpA1 VAL 228 HA 0.05 -0.09 0.70 -0.75 4.13 4.04 2lbpA1 VAL 228 HB -0.13 0.16 -0.04 -0.04 2.12 2.07 2lbpA1 VAL 228 HG13 -0.16 -0.01 -0.09 -0.04 0.97 0.67 2lbpA1 VAL 228 HG23 -0.00 -0.01 -0.16 -0.04 0.95 0.73 2lbpA1 GLY 229 H -0.11 0.39 -0.05 -0.55 8.43 8.12 2lbpA1 GLY 229 HA2 -1.36 0.12 0.41 -0.51 4.01 2.67 2lbpA1 GLY 229 HA3 -0.20 0.04 0.32 -0.51 4.01 3.65 2lbpA1 ASN 230 H -0.32 0.51 -0.20 -0.55 8.53 7.97 2lbpA1 ASN 230 HA -0.04 0.20 0.77 -0.75 4.76 4.94 2lbpA1 ASN 230 HB2 -0.19 0.09 -0.05 -0.04 2.88 2.68 2lbpA1 ASN 230 HB3 -0.70 -0.04 0.02 -0.04 2.79 2.03 2lbpA1 ASN 230 HD21 -0.15 0.04 0.06 -0.04 7.03 6.94 2lbpA1 ASN 230 HD22 -0.08 0.07 0.05 -0.04 7.74 7.74 2lbpA1 ALA 231 H -0.06 0.16 0.17 -0.55 8.40 8.12 2lbpA1 ALA 231 HA 0.13 0.21 0.42 -0.75 4.34 4.35 2lbpA1 ALA 231 HB3 0.02 0.03 0.06 -0.04 1.41 1.48 2lbpA1 SER 232 H -0.27 0.03 -0.11 -0.55 8.46 7.57 2lbpA1 SER 232 HA -0.04 0.16 0.57 -0.75 4.49 4.44 2lbpA1 SER 232 HB2 -0.68 -0.07 0.00 -0.04 3.95 3.17 2lbpA1 SER 232 HB3 -0.01 0.07 -0.07 -0.04 3.93 3.87 2lbpA1 LEU 233 H -0.18 0.21 -0.41 -0.55 8.37 7.44 2lbpA1 LEU 233 HA -0.03 0.01 0.31 -0.75 4.35 3.88 2lbpA1 LEU 233 HB2 -0.25 -0.04 0.17 -0.04 1.64 1.48 2lbpA1 LEU 233 HB3 -0.18 0.22 0.15 -0.04 1.64 1.78 2lbpA1 LEU 233 HG -0.20 -0.01 -0.24 -0.04 1.64 1.16 2lbpA1 LEU 233 HD13 -0.13 -0.03 -0.01 -0.04 0.93 0.72 2lbpA1 LEU 233 HD23 -0.91 0.10 -0.04 -0.04 0.89 -0.00 2lbpA1 SER 234 H 0.11 0.23 -0.26 -0.55 8.46 7.99 2lbpA1 SER 234 HA 0.09 0.04 0.59 -0.75 4.49 4.45 2lbpA1 SER 234 HB2 0.12 0.09 -0.07 -0.04 3.95 4.04 2lbpA1 SER 234 HB3 0.14 0.22 -0.06 -0.04 3.93 4.18 2lbpA1 ASN 235 H 0.04 0.11 -0.22 -0.55 8.53 7.91 2lbpA1 ASN 235 HA 0.03 0.10 0.52 -0.75 4.76 4.65 2lbpA1 ASN 235 HB2 0.03 -0.01 0.12 -0.04 2.88 2.98 2lbpA1 ASN 235 HB3 0.03 0.02 0.14 -0.04 2.79 2.93 2lbpA1 ASN 235 HD21 0.01 -0.05 -0.01 -0.04 7.03 6.94 2lbpA1 ASN 235 HD22 0.02 -0.01 0.03 -0.04 7.74 7.74 2lbpA1 ILE 236 H 0.03 0.14 -0.74 -0.55 8.25 7.13 2lbpA1 ILE 236 HA 0.03 0.28 1.13 -0.75 4.18 4.86 2lbpA1 ILE 236 HB 0.04 -0.03 -0.03 -0.04 1.89 1.83 2lbpA1 ILE 236 HG12 0.07 -0.04 -0.11 -0.04 1.49 1.37 2lbpA1 ILE 236 HG13 0.06 0.05 -0.30 -0.04 1.21 0.97 2lbpA1 ILE 236 HG23 0.02 0.01 -0.44 -0.04 0.93 0.47 2lbpA1 ILE 236 HD13 0.16 0.00 -0.27 -0.04 0.88 0.74 2lbpA1 ALA 237 H 0.01 0.76 0.32 -0.55 8.40 8.94 2lbpA1 ALA 237 HA -0.02 0.23 0.87 -0.75 4.34 4.66 2lbpA1 ALA 237 HB3 -0.05 -0.04 -0.07 -0.04 1.41 1.20 2lbpA1 GLY 238 H 0.03 0.13 0.07 -0.55 8.43 8.11 2lbpA1 GLY 238 HA2 0.04 0.22 0.37 -0.51 4.01 4.13 2lbpA1 GLY 238 HA3 0.03 0.05 0.45 -0.51 4.01 4.03 2lbpA1 ASP 239 H 0.03 0.22 0.24 -0.55 8.40 8.34 2lbpA1 ASP 239 HA 0.06 0.06 0.56 -0.75 4.63 4.55 2lbpA1 ASP 239 HB2 0.03 0.03 0.13 -0.04 2.71 2.85 2lbpA1 ASP 239 HB3 0.03 0.09 -0.16 -0.04 2.70 2.62 2lbpA1 ALA 240 H 0.01 0.34 -0.10 -0.55 8.40 8.10 2lbpA1 ALA 240 HA 0.02 0.16 0.41 -0.75 4.34 4.18 2lbpA1 ALA 240 HB3 -0.04 0.04 -0.13 -0.04 1.41 1.25 2lbpA1 ALA 241 H 0.04 0.14 -1.00 -0.55 8.40 7.04 2lbpA1 ALA 241 HA -0.03 0.07 0.31 -0.75 4.34 3.93 2lbpA1 ALA 241 HB3 0.09 0.01 -0.19 -0.04 1.41 1.28 2lbpA1 GLU 242 H 0.10 0.36 -0.32 -0.55 8.60 8.18 2lbpA1 GLU 242 HA 0.17 -0.14 0.24 -0.75 4.29 3.80 2lbpA1 GLU 242 HB2 0.10 -0.06 0.19 -0.04 2.09 2.28 2lbpA1 GLU 242 HB3 0.09 0.12 0.12 -0.04 1.99 2.28 2lbpA1 GLU 242 HG2 0.10 -0.01 0.01 -0.04 2.34 2.40 2lbpA1 GLU 242 HG3 0.12 0.10 -0.24 -0.04 2.34 2.28 2lbpA1 GLY 243 H 0.11 0.74 0.33 -0.55 8.43 9.06 2lbpA1 GLY 243 HA2 0.09 -0.04 0.37 -0.51 4.01 3.92 2lbpA1 GLY 243 HA3 0.11 0.07 0.53 -0.51 4.01 4.20 2lbpA1 MET 244 H 0.13 0.48 -0.05 -0.55 8.47 8.48 2lbpA1 MET 244 HA 0.08 0.07 0.53 -0.75 4.52 4.46 2lbpA1 MET 244 HB2 -0.01 0.15 0.06 -0.04 2.15 2.31 2lbpA1 MET 244 HB3 0.00 -0.15 0.01 -0.04 2.03 1.85 2lbpA1 MET 244 HG2 -0.01 0.19 -0.14 -0.04 2.63 2.64 2lbpA1 MET 244 HG3 -0.07 -0.06 -0.09 -0.04 2.56 2.29 2lbpA1 MET 244 HE3 -0.28 -0.02 -0.14 -0.04 2.10 1.62 2lbpA1 LEU 245 H 0.08 0.84 0.52 -0.55 8.37 9.26 2lbpA1 LEU 245 HA 0.13 0.21 0.78 -0.75 4.35 4.72 2lbpA1 LEU 245 HB2 0.17 0.15 0.28 -0.04 1.64 2.21 2lbpA1 LEU 245 HB3 0.17 -0.12 0.13 -0.04 1.64 1.78 2lbpA1 LEU 245 HG 0.19 -0.08 -0.01 -0.04 1.64 1.70 2lbpA1 LEU 245 HD13 0.11 0.02 -0.11 -0.04 0.93 0.91 2lbpA1 LEU 245 HD23 0.29 0.04 -0.00 -0.04 0.89 1.17 2lbpA1 VAL 246 H 0.16 0.53 0.38 -0.55 8.24 8.76 2lbpA1 VAL 246 HA 0.05 0.26 0.94 -0.75 4.13 4.63 2lbpA1 VAL 246 HB 0.25 -0.05 -0.34 -0.04 2.12 1.95 2lbpA1 VAL 246 HG13 0.02 -0.03 -0.22 -0.04 0.97 0.70 2lbpA1 VAL 246 HG23 0.23 0.03 -0.27 -0.04 0.95 0.90 2lbpA1 THR 247 H 0.11 0.17 0.16 -0.55 8.28 8.17 2lbpA1 THR 247 HA 0.24 0.43 0.81 -0.75 4.39 5.11 2lbpA1 THR 247 HB 0.12 0.03 0.12 -0.04 4.32 4.55 2lbpA1 THR 247 HG23 -0.01 -0.10 0.11 -0.04 1.22 1.19 2lbpA1 MET 248 H 0.41 0.88 0.29 -0.55 8.47 9.50 2lbpA1 MET 248 HA 0.29 0.02 0.69 -0.75 4.52 4.77 2lbpA1 MET 248 HB2 -0.59 0.03 -0.13 -0.04 2.15 1.43 2lbpA1 MET 248 HB3 -0.24 0.04 0.04 -0.04 2.03 1.82 2lbpA1 MET 248 HG2 0.10 0.07 -0.07 -0.04 2.63 2.69 2lbpA1 MET 248 HG3 0.08 -0.07 -0.62 -0.04 2.56 1.91 2lbpA1 MET 248 HE3 0.08 -0.00 0.08 -0.04 2.10 2.21 2lbpA1 PRO 249 HA -0.44 -0.01 0.46 -0.51 4.44 3.94 2lbpA1 PRO 249 HB2 -0.17 0.17 0.10 -0.04 2.28 2.35 2lbpA1 PRO 249 HB3 -0.28 0.00 0.16 -0.04 2.02 1.85 2lbpA1 PRO 249 HG2 -0.15 0.06 0.11 -0.04 2.03 2.01 2lbpA1 PRO 249 HG3 -0.25 -0.01 0.11 -0.04 2.03 1.84 2lbpA1 PRO 249 HD2 -0.10 0.14 0.24 -0.04 3.68 3.92 2lbpA1 PRO 249 HD3 -0.33 0.06 0.17 -0.04 3.65 3.51 2lbpA1 LYS 250 H -0.27 0.11 0.23 -0.55 8.42 7.94 2lbpA1 LYS 250 HA 0.03 0.12 0.54 -0.75 4.32 4.25 2lbpA1 LYS 250 HB2 -0.64 -0.00 -0.01 -0.04 1.87 1.18 2lbpA1 LYS 250 HB3 -0.24 0.03 0.10 -0.04 1.79 1.64 2lbpA1 LYS 250 HG2 -0.12 -0.10 -0.01 -0.04 1.46 1.19 2lbpA1 LYS 250 HG3 -0.17 0.06 0.11 -0.04 1.46 1.42 2lbpA1 LYS 250 HD2 -0.13 -0.01 -0.02 -0.04 1.69 1.49 2lbpA1 LYS 250 HD3 -0.12 0.01 -0.10 -0.04 1.68 1.43 2lbpA1 LYS 250 HE2 -0.17 0.22 0.02 -0.04 2.99 3.01 2lbpA1 LYS 250 HE3 -0.06 -0.00 -0.00 -0.04 2.99 2.89 2lbpA1 ARG 251 H -0.19 0.20 0.05 -0.55 8.46 7.96 2lbpA1 ARG 251 HA -0.29 0.15 0.73 -0.75 4.34 4.18 2lbpA1 ARG 251 HB2 -0.06 0.03 0.15 -0.04 1.90 1.99 2lbpA1 ARG 251 HB3 -0.11 -0.02 0.07 -0.04 1.80 1.70 2lbpA1 ARG 251 HG2 -0.07 0.03 -0.05 -0.04 1.67 1.53 2lbpA1 ARG 251 HG3 0.04 0.06 -0.20 -0.04 1.67 1.53 2lbpA1 ARG 251 HD2 0.26 0.02 -0.01 -0.04 3.22 3.45 2lbpA1 ARG 251 HD3 0.01 -0.01 -0.01 -0.04 3.22 3.17 2lbpA1 TYR 252 H -0.83 0.32 -0.06 -0.55 8.29 7.17 2lbpA1 TYR 252 HA -0.42 0.07 0.27 -0.75 4.56 3.73 2lbpA1 TYR 252 HB2 -1.02 -0.03 0.03 -0.04 3.06 2.00 2lbpA1 TYR 252 HB3 -0.53 0.21 0.13 -0.04 2.98 2.75 2lbpA1 TYR 252 HD2 -0.08 -0.01 0.01 -0.04 7.15 7.04 2lbpA1 TYR 252 HE2 -0.02 0.02 0.02 -0.04 6.85 6.84 2lbpA1 ASP 253 H -0.63 0.05 -0.44 -0.55 8.40 6.83 2lbpA1 ASP 253 HA -0.71 0.08 0.32 -0.75 4.63 3.56 2lbpA1 ASP 253 HB2 0.11 -0.02 0.03 -0.04 2.71 2.78 2lbpA1 ASP 253 HB3 0.30 0.23 0.02 -0.04 2.70 3.21 2lbpA1 GLN 254 H -0.29 0.68 -0.43 -0.55 8.47 7.89 2lbpA1 GLN 254 HA -0.10 0.22 0.90 -0.75 4.36 4.63 2lbpA1 GLN 254 HB2 -0.11 0.00 0.10 -0.04 2.15 2.10 2lbpA1 GLN 254 HB3 -0.07 -0.02 0.14 -0.04 2.02 2.03 2lbpA1 GLN 254 HG2 -0.05 0.04 -0.14 -0.04 2.40 2.20 2lbpA1 GLN 254 HG3 -0.10 -0.16 -0.51 -0.04 2.39 1.58 2lbpA1 GLN 254 HE21 -0.01 -0.02 0.03 -0.04 6.97 6.93 2lbpA1 GLN 254 HE22 -0.06 0.03 0.04 -0.04 7.69 7.66 2lbpA1 ASP 255 H -0.24 0.39 -0.16 -0.55 8.40 7.85 2lbpA1 ASP 255 HA -0.10 0.18 0.69 -0.75 4.63 4.65 2lbpA1 ASP 255 HB2 -0.13 0.02 0.08 -0.04 2.71 2.64 2lbpA1 ASP 255 HB3 -0.16 0.03 0.21 -0.04 2.70 2.73 2lbpA1 PRO 256 HA -0.03 0.09 0.43 -0.51 4.44 4.42 2lbpA1 PRO 256 HB2 -0.02 0.05 -0.03 -0.04 2.28 2.24 2lbpA1 PRO 256 HB3 -0.03 0.06 0.12 -0.04 2.02 2.14 2lbpA1 PRO 256 HG2 -0.03 -0.04 0.11 -0.04 2.03 2.02 2lbpA1 PRO 256 HG3 -0.03 0.09 0.10 -0.04 2.03 2.15 2lbpA1 PRO 256 HD2 -0.06 0.09 0.32 -0.04 3.68 3.99 2lbpA1 PRO 256 HD3 -0.05 0.24 0.22 -0.04 3.65 4.01 2lbpA1 ALA 257 H -0.04 0.12 -0.28 -0.55 8.40 7.66 2lbpA1 ALA 257 HA -0.00 0.10 0.43 -0.75 4.34 4.12 2lbpA1 ALA 257 HB3 -0.01 0.02 0.03 -0.04 1.41 1.41 2lbpA1 ASN 258 H -0.07 0.41 -0.26 -0.55 8.53 8.06 2lbpA1 ASN 258 HA 0.05 0.11 0.72 -0.75 4.76 4.88 2lbpA1 ASN 258 HB2 -0.29 0.16 0.07 -0.04 2.88 2.77 2lbpA1 ASN 258 HB3 -0.03 -0.12 0.12 -0.04 2.79 2.72 2lbpA1 ASN 258 HD21 -0.26 0.19 0.18 -0.04 7.03 7.09 2lbpA1 ASN 258 HD22 -0.80 0.60 0.15 -0.04 7.74 7.65 2lbpA1 GLN 259 H 0.00 0.49 -0.37 -0.55 8.47 8.05 2lbpA1 GLN 259 HA 0.05 0.05 0.30 -0.75 4.36 4.01 2lbpA1 GLN 259 HB2 0.00 0.11 0.13 -0.04 2.15 2.35 2lbpA1 GLN 259 HB3 0.02 0.01 0.08 -0.04 2.02 2.08 2lbpA1 GLN 259 HG2 0.04 -0.12 0.17 -0.04 2.40 2.45 2lbpA1 GLN 259 HG3 0.02 0.07 0.02 -0.04 2.39 2.46 2lbpA1 GLN 259 HE21 0.00 -0.01 0.00 -0.04 6.97 6.92 2lbpA1 GLN 259 HE22 0.00 0.04 0.03 -0.04 7.69 7.72 2lbpA1 GLY 260 H 0.05 0.22 -0.38 -0.55 8.43 7.78 2lbpA1 GLY 260 HA2 0.05 0.07 0.33 -0.51 4.01 3.94 2lbpA1 GLY 260 HA3 0.05 0.11 0.24 -0.51 4.01 3.91 2lbpA1 ILE 261 H 0.11 0.26 -0.10 -0.55 8.25 7.97 2lbpA1 ILE 261 HA 0.07 0.08 0.50 -0.75 4.18 4.07 2lbpA1 ILE 261 HB 0.29 0.12 0.11 -0.04 1.89 2.37 2lbpA1 ILE 261 HG12 -0.04 0.04 0.01 -0.04 1.49 1.45 2lbpA1 ILE 261 HG13 0.06 -0.09 0.03 -0.04 1.21 1.17 2lbpA1 ILE 261 HG23 -0.28 -0.00 -0.08 -0.04 0.93 0.52 2lbpA1 ILE 261 HD13 -0.08 0.00 0.04 -0.04 0.88 0.80 2lbpA1 VAL 262 H 0.21 0.46 -0.10 -0.55 8.24 8.27 2lbpA1 VAL 262 HA 0.19 0.00 0.46 -0.75 4.13 4.03 2lbpA1 VAL 262 HB 0.11 0.21 0.17 -0.04 2.12 2.57 2lbpA1 VAL 262 HG13 0.10 -0.01 -0.08 -0.04 0.97 0.94 2lbpA1 VAL 262 HG23 0.29 0.12 -0.00 -0.04 0.95 1.32 2lbpA1 ASP 263 H 0.07 0.55 -0.08 -0.55 8.40 8.39 2lbpA1 ASP 263 HA 0.04 0.01 0.46 -0.75 4.63 4.39 2lbpA1 ASP 263 HB2 0.04 0.13 0.15 -0.04 2.71 2.99 2lbpA1 ASP 263 HB3 0.03 -0.03 0.06 -0.04 2.70 2.72 2lbpA1 ALA 264 H 0.05 0.33 -0.31 -0.55 8.40 7.93 2lbpA1 ALA 264 HA 0.03 0.01 0.33 -0.75 4.34 3.95 2lbpA1 ALA 264 HB3 0.04 0.03 0.13 -0.04 1.41 1.58 2lbpA1 LEU 265 H 0.04 0.40 -0.41 -0.55 8.37 7.85 2lbpA1 LEU 265 HA 0.01 -0.02 0.57 -0.75 4.35 4.15 2lbpA1 LEU 265 HB2 0.02 0.09 0.20 -0.04 1.64 1.92 2lbpA1 LEU 265 HB3 -0.00 -0.07 -0.15 -0.04 1.64 1.38 2lbpA1 LEU 265 HG -0.03 -0.01 -0.09 -0.04 1.64 1.48 2lbpA1 LEU 265 HD13 -0.20 -0.01 -0.16 -0.04 0.93 0.52 2lbpA1 LEU 265 HD23 -0.05 -0.01 -0.14 -0.04 0.89 0.66 2lbpA1 LYS 266 H 0.04 0.75 0.08 -0.55 8.42 8.74 2lbpA1 LYS 266 HA 0.02 0.10 0.38 -0.75 4.32 4.07 2lbpA1 LYS 266 HB2 0.03 0.02 0.10 -0.04 1.87 1.98 2lbpA1 LYS 266 HB3 0.02 -0.07 0.06 -0.04 1.79 1.77 2lbpA1 LYS 266 HG2 0.05 -0.03 0.13 -0.04 1.46 1.57 2lbpA1 LYS 266 HG3 0.05 0.06 -0.03 -0.04 1.46 1.50 2lbpA1 LYS 266 HD2 0.03 -0.01 0.00 -0.04 1.69 1.67 2lbpA1 LYS 266 HD3 0.04 -0.05 0.02 -0.04 1.68 1.64 2lbpA1 LYS 266 HE2 0.03 -0.03 -0.02 -0.04 2.99 2.93 2lbpA1 LYS 266 HE3 0.06 -0.02 -0.06 -0.04 2.99 2.93 2lbpA1 ALA 267 H 0.02 0.70 -0.23 -0.55 8.40 8.35 2lbpA1 ALA 267 HA 0.01 -0.02 0.42 -0.75 4.34 4.00 2lbpA1 ALA 267 HB3 0.02 0.03 0.08 -0.04 1.41 1.49 2lbpA1 ASP 268 H 0.01 0.40 -0.18 -0.55 8.40 8.08 2lbpA1 ASP 268 HA 0.01 0.05 0.55 -0.75 4.63 4.48 2lbpA1 ASP 268 HB2 0.01 0.05 0.11 -0.04 2.71 2.84 2lbpA1 ASP 268 HB3 0.00 -0.08 0.16 -0.04 2.70 2.74 2lbpA1 LYS 269 H 0.01 0.47 -0.69 -0.55 8.42 7.65 2lbpA1 LYS 269 HA 0.01 0.16 0.30 -0.75 4.32 4.03 2lbpA1 LYS 269 HB2 -0.00 0.06 0.22 -0.04 1.87 2.11 2lbpA1 LYS 269 HB3 0.00 -0.11 0.19 -0.04 1.79 1.83 2lbpA1 LYS 269 HG2 0.00 0.04 -0.28 -0.04 1.46 1.18 2lbpA1 LYS 269 HG3 -0.00 -0.10 -0.02 -0.04 1.46 1.30 2lbpA1 LYS 269 HD2 0.00 0.01 0.03 -0.04 1.69 1.70 2lbpA1 LYS 269 HD3 0.01 0.25 -0.16 -0.04 1.68 1.73 2lbpA1 LYS 269 HE2 0.00 -0.02 0.03 -0.04 2.99 2.96 2lbpA1 LYS 269 HE3 0.00 -0.01 0.01 -0.04 2.99 2.96 2lbpA1 LYS 270 H 0.01 0.58 -0.13 -0.55 8.42 8.32 2lbpA1 LYS 270 HA 0.00 0.05 0.69 -0.75 4.32 4.31 2lbpA1 LYS 270 HB2 -0.00 0.01 -0.06 -0.04 1.87 1.78 2lbpA1 LYS 270 HB3 -0.00 -0.09 -0.04 -0.04 1.79 1.62 2lbpA1 LYS 270 HG2 0.00 0.07 -0.37 -0.04 1.46 1.12 2lbpA1 LYS 270 HG3 0.00 0.08 -0.23 -0.04 1.46 1.26 2lbpA1 LYS 270 HD2 0.00 0.00 -0.04 -0.04 1.69 1.62 2lbpA1 LYS 270 HD3 0.01 -0.09 -0.04 -0.04 1.68 1.51 2lbpA1 LYS 270 HE2 0.01 -0.09 -0.02 -0.04 2.99 2.84 2lbpA1 LYS 270 HE3 0.00 -0.00 -0.05 -0.04 2.99 2.90 2lbpA1 ASP 271 H 0.01 0.10 0.09 -0.55 8.40 8.05 2lbpA1 ASP 271 HA 0.04 0.21 0.63 -0.75 4.63 4.75 2lbpA1 ASP 271 HB2 0.01 0.11 0.02 -0.04 2.71 2.81 2lbpA1 ASP 271 HB3 0.01 -0.03 0.17 -0.04 2.70 2.81 2lbpA1 PRO 272 HA 0.04 0.12 0.45 -0.51 4.44 4.53 2lbpA1 PRO 272 HB2 0.34 -0.00 0.10 -0.04 2.28 2.67 2lbpA1 PRO 272 HB3 0.10 0.08 0.06 -0.04 2.02 2.22 2lbpA1 PRO 272 HG2 0.14 0.01 -0.00 -0.04 2.03 2.14 2lbpA1 PRO 272 HG3 0.10 0.12 0.09 -0.04 2.03 2.31 2lbpA1 PRO 272 HD2 0.07 0.03 0.20 -0.04 3.68 3.94 2lbpA1 PRO 272 HD3 0.05 0.51 0.29 -0.04 3.65 4.46 2lbpA1 SER 273 H 0.13 0.07 -0.35 -0.55 8.46 7.76 2lbpA1 SER 273 HA 0.28 0.15 0.53 -0.75 4.49 4.70 2lbpA1 SER 273 HB2 0.08 0.02 0.05 -0.04 3.95 4.06 2lbpA1 SER 273 HB3 0.09 0.03 0.01 -0.04 3.93 4.02 2lbpA1 GLY 274 H 0.13 0.18 -0.15 -0.55 8.43 8.05 2lbpA1 GLY 274 HA2 0.14 0.14 0.51 -0.51 4.01 4.29 2lbpA1 GLY 274 HA3 0.14 -0.01 0.30 -0.51 4.01 3.92 2lbpA1 PRO 275 HA 0.37 0.08 0.44 -0.51 4.44 4.82 2lbpA1 PRO 275 HB2 -0.11 0.02 0.10 -0.04 2.28 2.24 2lbpA1 PRO 275 HB3 0.07 0.12 0.15 -0.04 2.02 2.33 2lbpA1 PRO 275 HG2 -0.23 -0.01 0.14 -0.04 2.03 1.89 2lbpA1 PRO 275 HG3 -0.04 0.12 0.13 -0.04 2.03 2.20 2lbpA1 PRO 275 HD2 0.07 0.03 0.26 -0.04 3.68 3.99 2lbpA1 PRO 275 HD3 0.08 0.29 0.30 -0.04 3.65 4.28 2lbpA1 TYR 276 H -0.05 0.12 -0.19 -0.55 8.29 7.62 2lbpA1 TYR 276 HA 0.10 0.11 0.39 -0.75 4.56 4.40 2lbpA1 TYR 276 HB2 0.13 -0.02 0.01 -0.04 3.06 3.14 2lbpA1 TYR 276 HB3 0.07 -0.01 -0.02 -0.04 2.98 2.98 2lbpA1 TYR 276 HD2 0.19 0.11 0.08 -0.04 7.15 7.49 2lbpA1 TYR 276 HE2 0.06 0.01 0.10 -0.04 6.85 6.98 2lbpA1 VAL 277 H 0.05 0.31 -0.54 -0.55 8.24 7.51 2lbpA1 VAL 277 HA -0.13 0.24 0.29 -0.75 4.13 3.77 2lbpA1 VAL 277 HB -0.69 0.15 0.04 -0.04 2.12 1.58 2lbpA1 VAL 277 HG13 -0.78 -0.00 -0.17 -0.04 0.97 -0.02 2lbpA1 VAL 277 HG23 -0.09 -0.03 0.03 -0.04 0.95 0.82 2lbpA1 TRP 278 H -0.09 0.25 -0.14 -0.55 7.97 7.44 2lbpA1 TRP 278 HA 0.02 0.06 0.53 -0.75 4.62 4.49 2lbpA1 TRP 278 HB2 0.16 0.05 0.10 -0.04 3.23 3.50 2lbpA1 TRP 278 HB3 -0.06 0.01 -0.04 -0.04 3.23 3.10 2lbpA1 TRP 278 HD1 0.11 0.01 -0.14 -0.04 7.22 7.17 2lbpA1 TRP 278 HE1 0.05 0.53 0.09 -0.04 10.20 10.82 2lbpA1 TRP 278 HE3 -0.13 -0.05 -0.07 -0.04 7.59 7.30 2lbpA1 TRP 278 HZ2 0.01 0.05 -0.01 -0.04 7.44 7.45 2lbpA1 TRP 278 HZ3 -0.23 -0.02 -0.01 -0.04 7.13 6.82 2lbpA1 TRP 278 HH2 -0.06 0.00 -0.04 -0.04 7.19 7.05 2lbpA1 ILE 279 H 0.19 0.55 0.06 -0.55 8.25 8.50 2lbpA1 ILE 279 HA 0.09 0.08 0.58 -0.75 4.18 4.17 2lbpA1 ILE 279 HB 0.06 0.19 0.04 -0.04 1.89 2.15 2lbpA1 ILE 279 HG12 0.18 0.02 -0.08 -0.04 1.49 1.57 2lbpA1 ILE 279 HG13 0.11 -0.19 -0.25 -0.04 1.21 0.84 2lbpA1 ILE 279 HG23 0.13 0.05 0.03 -0.04 0.93 1.09 2lbpA1 ILE 279 HD13 0.18 -0.00 0.01 -0.04 0.88 1.02 2lbpA1 THR 280 H 0.11 0.47 -0.28 -0.55 8.28 8.03 2lbpA1 THR 280 HA 0.06 0.04 0.52 -0.75 4.39 4.25 2lbpA1 THR 280 HB 0.00 0.10 0.00 -0.04 4.32 4.38 2lbpA1 THR 280 HG23 -0.07 -0.02 -0.01 -0.04 1.22 1.08 2lbpA1 TYR 281 H 0.14 0.31 -0.21 -0.55 8.29 7.98 2lbpA1 TYR 281 HA -0.03 0.12 0.46 -0.75 4.56 4.36 2lbpA1 TYR 281 HB2 -0.13 0.18 0.18 -0.04 3.06 3.24 2lbpA1 TYR 281 HB3 0.02 0.00 0.14 -0.04 2.98 3.10 2lbpA1 TYR 281 HD2 -0.04 0.02 -0.12 -0.04 7.15 6.97 2lbpA1 TYR 281 HE2 0.01 0.02 -0.12 -0.04 6.85 6.73 2lbpA1 ALA 282 H 0.19 0.38 -0.28 -0.55 8.40 8.15 2lbpA1 ALA 282 HA 0.19 -0.02 0.29 -0.75 4.34 4.05 2lbpA1 ALA 282 HB3 0.10 0.03 0.05 -0.04 1.41 1.55 2lbpA1 ALA 283 H 0.10 0.16 -0.51 -0.55 8.40 7.59 2lbpA1 ALA 283 HA 0.11 0.05 0.32 -0.75 4.34 4.07 2lbpA1 ALA 283 HB3 0.05 0.04 0.02 -0.04 1.41 1.47 2lbpA1 VAL 284 H -0.01 0.44 -0.13 -0.55 8.24 7.99 2lbpA1 VAL 284 HA -0.05 -0.04 0.34 -0.75 4.13 3.62 2lbpA1 VAL 284 HB -0.10 -0.02 0.15 -0.04 2.12 2.10 2lbpA1 VAL 284 HG13 -0.27 0.19 0.06 -0.04 0.97 0.91 2lbpA1 VAL 284 HG23 -0.12 -0.01 -0.15 -0.04 0.95 0.63 2lbpA1 GLN 285 H -0.01 0.52 -0.14 -0.55 8.47 8.29 2lbpA1 GLN 285 HA -0.02 0.36 0.53 -0.75 4.36 4.48 2lbpA1 GLN 285 HB2 0.06 -0.02 0.20 -0.04 2.15 2.35 2lbpA1 GLN 285 HB3 -0.02 -0.04 0.09 -0.04 2.02 2.01 2lbpA1 GLN 285 HG2 0.16 0.09 0.06 -0.04 2.40 2.67 2lbpA1 GLN 285 HG3 0.13 0.08 -0.02 -0.04 2.39 2.54 2lbpA1 GLN 285 HE21 0.26 -0.08 -0.02 -0.04 6.97 7.09 2lbpA1 GLN 285 HE22 0.20 0.09 0.04 -0.04 7.69 7.97 2lbpA1 SER 286 H 0.05 0.24 -0.71 -0.55 8.46 7.49 2lbpA1 SER 286 HA 0.10 0.02 0.69 -0.75 4.49 4.55 2lbpA1 SER 286 HB2 0.07 -0.00 -0.13 -0.04 3.95 3.85 2lbpA1 SER 286 HB3 0.18 -0.07 -0.17 -0.04 3.93 3.82 2lbpA1 LEU 287 H -0.03 0.35 0.04 -0.55 8.37 8.19 2lbpA1 LEU 287 HA -0.12 0.01 0.43 -0.75 4.35 3.92 2lbpA1 LEU 287 HB2 -0.08 -0.07 -0.01 -0.04 1.64 1.44 2lbpA1 LEU 287 HB3 -0.07 0.03 0.16 -0.04 1.64 1.71 2lbpA1 LEU 287 HG -0.22 0.05 -0.89 -0.04 1.64 0.53 2lbpA1 LEU 287 HD13 -0.28 -0.01 -0.12 -0.04 0.93 0.47 2lbpA1 LEU 287 HD23 -0.14 -0.02 -0.13 -0.04 0.89 0.56 2lbpA1 ALA 288 H -0.08 0.39 0.02 -0.55 8.40 8.19 2lbpA1 ALA 288 HA -0.12 -0.13 0.62 -0.75 4.34 3.96 2lbpA1 ALA 288 HB3 -0.10 0.01 -0.01 -0.04 1.41 1.27 2lbpA1 THR 289 H -0.06 -0.06 -0.09 -0.55 8.28 7.53 2lbpA1 THR 289 HA -0.02 -0.05 0.16 -0.75 4.39 3.73 2lbpA1 THR 289 HB -0.02 0.03 -0.32 -0.04 4.32 3.97 2lbpA1 THR 289 HG23 0.02 0.01 0.23 -0.04 1.22 1.44 2lbpA1 ALA 290 H 0.03 0.37 0.07 -0.55 8.40 8.33 2lbpA1 ALA 290 HA 0.03 -0.07 0.44 -0.75 4.34 3.98 2lbpA1 ALA 290 HB3 0.08 0.01 0.24 -0.04 1.41 1.71 2lbpA1 LEU 291 H -0.01 -0.05 0.25 -0.55 8.37 8.01 2lbpA1 LEU 291 HA -0.02 -0.09 0.48 -0.75 4.35 3.96 2lbpA1 LEU 291 HB2 -0.06 -0.01 -0.09 -0.04 1.64 1.44 2lbpA1 LEU 291 HB3 -0.09 0.16 0.00 -0.04 1.64 1.67 2lbpA1 LEU 291 HG -0.04 -0.15 0.12 -0.04 1.64 1.53 2lbpA1 LEU 291 HD13 -0.04 -0.07 0.02 -0.04 0.93 0.79 2lbpA1 LEU 291 HD23 -0.07 -0.01 -0.56 -0.04 0.89 0.21 2lbpA1 GLU 292 H -0.10 0.59 0.25 -0.55 8.60 8.79 2lbpA1 GLU 292 HA -0.09 0.14 0.49 -0.75 4.29 4.08 2lbpA1 GLU 292 HB2 -0.13 -0.10 0.10 -0.04 2.09 1.91 2lbpA1 GLU 292 HB3 -0.11 0.03 0.06 -0.04 1.99 1.93 2lbpA1 GLU 292 HG2 -0.31 0.07 -0.01 -0.04 2.34 2.04 2lbpA1 GLU 292 HG3 -0.32 0.03 -0.07 -0.04 2.34 1.94 2lbpA1 ARG 293 H -0.04 0.30 -0.47 -0.55 8.46 7.70 2lbpA1 ARG 293 HA -0.02 0.10 0.45 -0.75 4.34 4.12 2lbpA1 ARG 293 HB2 -0.01 0.15 -0.03 -0.04 1.90 1.97 2lbpA1 ARG 293 HB3 -0.01 0.01 0.11 -0.04 1.80 1.87 2lbpA1 ARG 293 HG2 -0.02 -0.07 -0.06 -0.04 1.67 1.48 2lbpA1 ARG 293 HG3 -0.01 -0.03 -0.02 -0.04 1.67 1.57 2lbpA1 ARG 293 HD2 -0.00 0.01 0.03 -0.04 3.22 3.21 2lbpA1 ARG 293 HD3 -0.01 -0.06 0.06 -0.04 3.22 3.17 2lbpA1 THR 294 H -0.03 0.58 -0.74 -0.55 8.28 7.55 2lbpA1 THR 294 HA -0.01 0.04 0.41 -0.75 4.39 4.08 2lbpA1 THR 294 HB -0.02 0.25 0.20 -0.04 4.32 4.70 2lbpA1 THR 294 HG23 -0.02 -0.03 -0.30 -0.04 1.22 0.83 2lbpA1 GLY 295 H -0.02 0.42 -0.36 -0.55 8.43 7.92 2lbpA1 GLY 295 HA2 -0.01 0.05 0.28 -0.51 4.01 3.82 2lbpA1 GLY 295 HA3 -0.00 0.05 0.29 -0.51 4.01 3.84 2lbpA1 SER 296 H -0.01 0.10 -0.51 -0.55 8.46 7.50 2lbpA1 SER 296 HA 0.01 0.06 0.53 -0.75 4.49 4.34 2lbpA1 SER 296 HB2 -0.00 0.09 -0.05 -0.04 3.95 3.95 2lbpA1 SER 296 HB3 0.02 0.06 -0.17 -0.04 3.93 3.80 2lbpA1 ASP 297 H 0.04 -0.14 0.22 -0.55 8.40 7.98 2lbpA1 ASP 297 HA 0.17 0.13 0.56 -0.75 4.63 4.74 2lbpA1 ASP 297 HB2 0.05 -0.04 0.14 -0.04 2.71 2.82 2lbpA1 ASP 297 HB3 0.09 0.03 0.11 -0.04 2.70 2.89 2lbpA1 GLU 298 H 0.06 -0.17 0.19 -0.55 8.60 8.13 2lbpA1 GLU 298 HA 0.05 0.19 0.39 -0.75 4.29 4.17 2lbpA1 GLU 298 HB2 0.03 -0.07 0.24 -0.04 2.09 2.25 2lbpA1 GLU 298 HB3 0.02 -0.22 0.12 -0.04 1.99 1.87 2lbpA1 GLU 298 HG2 0.02 0.09 0.08 -0.04 2.34 2.50 2lbpA1 GLU 298 HG3 0.02 0.04 0.10 -0.04 2.34 2.46 2lbpA1 PRO 299 HA 0.15 0.08 0.34 -0.51 4.44 4.50 2lbpA1 PRO 299 HB2 0.18 0.01 -0.04 -0.04 2.28 2.40 2lbpA1 PRO 299 HB3 0.14 -0.04 0.03 -0.04 2.02 2.10 2lbpA1 PRO 299 HG2 -0.03 0.40 0.30 -0.04 2.03 2.67 2lbpA1 PRO 299 HG3 -0.08 0.07 0.23 -0.04 2.03 2.21 2lbpA1 PRO 299 HD2 0.04 0.09 0.24 -0.04 3.68 4.01 2lbpA1 PRO 299 HD3 0.02 0.19 0.27 -0.04 3.65 4.09 2lbpA1 LEU 300 H -0.02 0.13 -0.21 -0.55 8.37 7.73 2lbpA1 LEU 300 HA -0.22 0.15 0.59 -0.75 4.35 4.11 2lbpA1 LEU 300 HB2 -0.21 0.05 0.02 -0.04 1.64 1.46 2lbpA1 LEU 300 HB3 -0.07 -0.01 -0.01 -0.04 1.64 1.51 2lbpA1 LEU 300 HG -0.17 0.01 0.07 -0.04 1.64 1.51 2lbpA1 LEU 300 HD13 -0.34 0.02 -0.04 -0.04 0.93 0.53 2lbpA1 LEU 300 HD23 -0.05 0.00 -0.11 -0.04 0.89 0.69 2lbpA1 ALA 301 H -0.02 0.25 -0.11 -0.55 8.40 7.97 2lbpA1 ALA 301 HA -0.03 0.10 0.49 -0.75 4.34 4.15 2lbpA1 ALA 301 HB3 -0.01 0.04 0.09 -0.04 1.41 1.49 2lbpA1 LEU 302 H -0.03 0.27 -0.38 -0.55 8.37 7.69 2lbpA1 LEU 302 HA -0.05 0.05 0.30 -0.75 4.35 3.90 2lbpA1 LEU 302 HB2 0.01 0.06 -0.08 -0.04 1.64 1.59 2lbpA1 LEU 302 HB3 -0.03 0.13 -0.06 -0.04 1.64 1.64 2lbpA1 LEU 302 HG -0.06 -0.03 -0.24 -0.04 1.64 1.28 2lbpA1 LEU 302 HD13 0.03 -0.00 -0.32 -0.04 0.93 0.60 2lbpA1 LEU 302 HD23 -0.11 0.01 -0.11 -0.04 0.89 0.64 2lbpA1 VAL 303 H -0.09 0.27 -0.12 -0.55 8.24 7.75 2lbpA1 VAL 303 HA -0.19 0.07 0.52 -0.75 4.13 3.78 2lbpA1 VAL 303 HB -0.13 -0.03 0.07 -0.04 2.12 1.99 2lbpA1 VAL 303 HG13 -0.15 0.07 0.10 -0.04 0.97 0.94 2lbpA1 VAL 303 HG23 -0.13 0.02 -0.07 -0.04 0.95 0.73 2lbpA1 LYS 304 H -0.07 0.22 -0.49 -0.55 8.42 7.52 2lbpA1 LYS 304 HA -0.04 0.10 0.39 -0.75 4.32 4.01 2lbpA1 LYS 304 HB2 -0.03 0.08 0.11 -0.04 1.87 1.99 2lbpA1 LYS 304 HB3 -0.02 -0.04 0.07 -0.04 1.79 1.76 2lbpA1 LYS 304 HG2 -0.06 -0.01 0.03 -0.04 1.46 1.39 2lbpA1 LYS 304 HG3 -0.05 0.15 0.15 -0.04 1.46 1.67 2lbpA1 LYS 304 HD2 -0.02 -0.03 0.02 -0.04 1.69 1.62 2lbpA1 LYS 304 HD3 -0.02 -0.01 0.01 -0.04 1.68 1.62 2lbpA1 LYS 304 HE2 -0.02 -0.03 -0.01 -0.04 2.99 2.89 2lbpA1 LYS 304 HE3 -0.04 0.01 -0.02 -0.04 2.99 2.90 2lbpA1 ASP 305 H -0.04 0.32 -0.20 -0.55 8.40 7.93 2lbpA1 ASP 305 HA 0.00 0.02 0.48 -0.75 4.63 4.37 2lbpA1 ASP 305 HB2 -0.02 0.04 0.10 -0.04 2.71 2.80 2lbpA1 ASP 305 HB3 -0.03 0.09 0.09 -0.04 2.70 2.80 2lbpA1 LEU 306 H -0.09 0.31 -0.26 -0.55 8.37 7.78 2lbpA1 LEU 306 HA 0.06 0.08 0.35 -0.75 4.35 4.09 2lbpA1 LEU 306 HB2 -0.28 0.13 0.09 -0.04 1.64 1.54 2lbpA1 LEU 306 HB3 -0.70 -0.04 -0.14 -0.04 1.64 0.72 2lbpA1 LEU 306 HG -0.53 -0.11 -0.19 -0.04 1.64 0.77 2lbpA1 LEU 306 HD13 0.02 0.04 -0.25 -0.04 0.93 0.70 2lbpA1 LEU 306 HD23 -0.26 0.08 -0.25 -0.04 0.89 0.42 2lbpA1 LYS 307 H -0.06 0.39 -0.30 -0.55 8.42 7.90 2lbpA1 LYS 307 HA 0.19 -0.01 0.41 -0.75 4.32 4.17 2lbpA1 LYS 307 HB2 0.04 0.01 -0.09 -0.04 1.87 1.79 2lbpA1 LYS 307 HB3 0.10 -0.02 0.04 -0.04 1.79 1.87 2lbpA1 LYS 307 HG2 -0.02 0.05 -0.01 -0.04 1.46 1.44 2lbpA1 LYS 307 HG3 0.03 -0.13 -0.04 -0.04 1.46 1.28 2lbpA1 LYS 307 HD2 0.03 0.03 -0.05 -0.04 1.69 1.66 2lbpA1 LYS 307 HD3 -0.09 -0.01 -0.05 -0.04 1.68 1.48 2lbpA1 LYS 307 HE2 -0.02 -0.04 -0.03 -0.04 2.99 2.86 2lbpA1 LYS 307 HE3 0.02 0.01 -0.05 -0.04 2.99 2.94 2lbpA1 ALA 308 H 0.04 0.13 -0.39 -0.55 8.40 7.63 2lbpA1 ALA 308 HA 0.06 0.07 0.81 -0.75 4.34 4.52 2lbpA1 ALA 308 HB3 0.03 -0.05 0.09 -0.04 1.41 1.43 2lbpA1 ASN 309 H 0.08 0.46 -0.01 -0.55 8.53 8.51 2lbpA1 ASN 309 HA 0.07 -0.02 0.60 -0.75 4.76 4.65 2lbpA1 ASN 309 HB2 0.06 0.26 0.15 -0.04 2.88 3.30 2lbpA1 ASN 309 HB3 0.06 -0.10 0.16 -0.04 2.79 2.86 2lbpA1 ASN 309 HD21 0.02 -0.05 -0.04 -0.04 7.03 6.92 2lbpA1 ASN 309 HD22 0.02 0.05 0.08 -0.04 7.74 7.85 2lbpA1 GLY 310 H 0.09 -0.01 0.12 -0.55 8.43 8.09 2lbpA1 GLY 310 HA2 0.36 0.44 1.16 -0.51 4.01 5.46 2lbpA1 GLY 310 HA3 0.11 0.11 0.44 -0.51 4.01 4.16 2lbpA1 ALA 311 H 0.14 0.33 0.30 -0.55 8.40 8.63 2lbpA1 ALA 311 HA 0.17 0.16 0.85 -0.75 4.34 4.77 2lbpA1 ALA 311 HB3 0.32 0.03 -0.04 -0.04 1.41 1.68 2lbpA1 ASN 312 H 0.09 0.28 0.15 -0.55 8.53 8.49 2lbpA1 ASN 312 HA 0.03 0.04 0.64 -0.75 4.76 4.71 2lbpA1 ASN 312 HB2 0.05 0.02 0.09 -0.04 2.88 2.99 2lbpA1 ASN 312 HB3 0.05 0.02 0.07 -0.04 2.79 2.89 2lbpA1 ASN 312 HD21 0.01 -0.00 -0.02 -0.04 7.03 6.99 2lbpA1 ASN 312 HD22 0.02 0.01 -0.04 -0.04 7.74 7.69 2lbpA1 THR 313 H 0.03 0.38 -0.04 -0.55 8.28 8.10 2lbpA1 THR 313 HA 0.09 0.21 0.80 -0.75 4.39 4.74 2lbpA1 THR 313 HB 0.01 0.39 -0.12 -0.04 4.32 4.57 2lbpA1 THR 313 HG23 0.07 -0.41 -0.02 -0.04 1.22 0.82 2lbpA1 VAL 314 H 0.11 0.24 0.11 -0.55 8.24 8.16 2lbpA1 VAL 314 HA 0.02 0.08 0.36 -0.75 4.13 3.84 2lbpA1 VAL 314 HB 0.15 0.03 0.10 -0.04 2.12 2.35 2lbpA1 VAL 314 HG13 0.22 -0.01 -0.09 -0.04 0.97 1.05 2lbpA1 VAL 314 HG23 -0.15 0.02 0.01 -0.04 0.95 0.79 2lbpA1 ILE 315 H -0.03 0.03 -0.47 -0.55 8.25 7.23 2lbpA1 ILE 315 HA -0.65 0.05 0.53 -0.75 4.18 3.37 2lbpA1 ILE 315 HB -0.10 -0.08 -0.04 -0.04 1.89 1.62 2lbpA1 ILE 315 HG12 -0.98 -0.02 0.04 -0.04 1.49 0.48 2lbpA1 ILE 315 HG13 -0.39 -0.08 -0.17 -0.04 1.21 0.53 2lbpA1 ILE 315 HG23 -0.01 0.04 -0.28 -0.04 0.93 0.64 2lbpA1 ILE 315 HD13 0.08 0.01 -0.01 -0.04 0.88 0.91 2lbpA1 GLY 316 H -0.03 0.58 -0.38 -0.55 8.43 8.04 2lbpA1 GLY 316 HA2 -0.01 0.02 0.28 -0.51 4.01 3.79 2lbpA1 GLY 316 HA3 -0.02 0.19 0.65 -0.51 4.01 4.32 2lbpA1 PRO 317 HA -0.02 0.09 0.79 -0.51 4.44 4.79 2lbpA1 PRO 317 HB2 -0.03 0.05 -0.02 -0.04 2.28 2.24 2lbpA1 PRO 317 HB3 -0.01 0.03 0.11 -0.04 2.02 2.11 2lbpA1 PRO 317 HG2 -0.02 0.05 0.09 -0.04 2.03 2.11 2lbpA1 PRO 317 HG3 -0.01 0.00 0.09 -0.04 2.03 2.07 2lbpA1 PRO 317 HD2 -0.03 0.15 0.24 -0.04 3.68 4.00 2lbpA1 PRO 317 HD3 -0.02 0.06 0.24 -0.04 3.65 3.88 2lbpA1 LEU 318 H -0.11 0.65 0.33 -0.55 8.37 8.69 2lbpA1 LEU 318 HA -0.29 0.12 0.85 -0.75 4.35 4.28 2lbpA1 LEU 318 HB2 -0.70 -0.05 0.02 -0.04 1.64 0.87 2lbpA1 LEU 318 HB3 -0.98 0.02 -0.03 -0.04 1.64 0.60 2lbpA1 LEU 318 HG -0.10 0.09 -0.36 -0.04 1.64 1.24 2lbpA1 LEU 318 HD13 0.03 -0.03 -0.16 -0.04 0.93 0.72 2lbpA1 LEU 318 HD23 -0.08 0.02 -0.22 -0.04 0.89 0.57 2lbpA1 ASN 319 H -0.44 0.26 0.24 -0.55 8.53 8.04 2lbpA1 ASN 319 HA -0.07 0.29 0.81 -0.75 4.76 5.03 2lbpA1 ASN 319 HB2 -0.07 -0.00 -0.19 -0.04 2.88 2.58 2lbpA1 ASN 319 HB3 -0.08 -0.07 -0.00 -0.04 2.79 2.60 2lbpA1 ASN 319 HD21 0.03 0.03 -0.06 -0.04 7.03 6.99 2lbpA1 ASN 319 HD22 0.00 -0.09 -0.10 -0.04 7.74 7.51 2lbpA1 TRP 320 H 0.32 0.43 0.20 -0.55 7.97 8.37 2lbpA1 TRP 320 HA 0.03 0.18 1.08 -0.75 4.62 5.16 2lbpA1 TRP 320 HB2 0.02 0.11 -0.02 -0.04 3.23 3.30 2lbpA1 TRP 320 HB3 0.02 0.00 -0.04 -0.04 3.23 3.17 2lbpA1 TRP 320 HD1 0.01 -0.05 -0.53 -0.04 7.22 6.61 2lbpA1 TRP 320 HE1 -0.00 0.48 -0.03 -0.04 10.20 10.61 2lbpA1 TRP 320 HE3 0.02 0.34 -0.14 -0.04 7.59 7.77 2lbpA1 TRP 320 HZ2 0.01 -0.05 -0.22 -0.04 7.44 7.14 2lbpA1 TRP 320 HZ3 0.02 0.02 -0.14 -0.04 7.13 6.99 2lbpA1 TRP 320 HH2 0.02 -0.02 -0.15 -0.04 7.19 7.00 2lbpA1 ASP 321 H 0.20 0.57 0.25 -0.55 8.40 8.87 2lbpA1 ASP 321 HA 0.10 0.18 0.55 -0.75 4.63 4.70 2lbpA1 ASP 321 HB2 0.07 -0.03 0.17 -0.04 2.71 2.88 2lbpA1 ASP 321 HB3 0.07 0.06 0.04 -0.04 2.70 2.82 2lbpA1 GLU 322 H 0.06 0.14 0.16 -0.55 8.60 8.42 2lbpA1 GLU 322 HA 0.06 0.23 0.47 -0.75 4.29 4.29 2lbpA1 GLU 322 HB2 0.04 0.04 0.01 -0.04 2.09 2.13 2lbpA1 GLU 322 HB3 0.04 0.07 0.13 -0.04 1.99 2.18 2lbpA1 GLU 322 HG2 0.03 0.03 0.04 -0.04 2.34 2.40 2lbpA1 GLU 322 HG3 0.04 0.03 0.13 -0.04 2.34 2.50 2lbpA1 LYS 323 H 0.07 -0.10 -0.38 -0.55 8.42 7.46 2lbpA1 LYS 323 HA 0.05 0.26 0.72 -0.75 4.32 4.59 2lbpA1 LYS 323 HB2 0.04 0.15 0.21 -0.04 1.87 2.22 2lbpA1 LYS 323 HB3 0.04 -0.02 0.04 -0.04 1.79 1.81 2lbpA1 LYS 323 HG2 0.06 -0.16 -0.06 -0.04 1.46 1.26 2lbpA1 LYS 323 HG3 0.04 0.07 -0.02 -0.04 1.46 1.51 2lbpA1 LYS 323 HD2 0.03 0.06 0.00 -0.04 1.69 1.73 2lbpA1 LYS 323 HD3 0.04 -0.04 0.01 -0.04 1.68 1.64 2lbpA1 LYS 323 HE2 0.03 0.01 -0.01 -0.04 2.99 2.98 2lbpA1 LYS 323 HE3 0.05 -0.05 0.00 -0.04 2.99 2.95 2lbpA1 GLY 324 H 0.11 0.30 -0.24 -0.55 8.43 8.06 2lbpA1 GLY 324 HA2 0.09 0.10 0.28 -0.51 4.01 3.97 2lbpA1 GLY 324 HA3 0.05 0.36 0.75 -0.51 4.01 4.67 2lbpA1 ASP 325 H 0.15 -0.05 -0.02 -0.55 8.40 7.93 2lbpA1 ASP 325 HA 0.15 0.12 0.67 -0.75 4.63 4.82 2lbpA1 ASP 325 HB2 0.08 -0.09 0.02 -0.04 2.71 2.68 2lbpA1 ASP 325 HB3 0.07 0.10 0.03 -0.04 2.70 2.85 2lbpA1 LEU 326 H 0.03 0.08 0.12 -0.55 8.37 8.06 2lbpA1 LEU 326 HA -0.29 0.36 0.74 -0.75 4.35 4.41 2lbpA1 LEU 326 HB2 -0.13 -0.15 0.03 -0.04 1.64 1.35 2lbpA1 LEU 326 HB3 -0.10 0.08 -0.01 -0.04 1.64 1.56 2lbpA1 LEU 326 HG -0.11 0.09 -0.11 -0.04 1.64 1.47 2lbpA1 LEU 326 HD13 -0.41 -0.02 -0.28 -0.04 0.93 0.17 2lbpA1 LEU 326 HD23 -0.86 0.01 -0.03 -0.04 0.89 -0.02 2lbpA1 LYS 327 H -0.11 0.74 0.29 -0.55 8.42 8.78 2lbpA1 LYS 327 HA 0.03 0.11 0.77 -0.75 4.32 4.47 2lbpA1 LYS 327 HB2 -0.01 0.06 -0.11 -0.04 1.87 1.77 2lbpA1 LYS 327 HB3 0.01 -0.03 0.01 -0.04 1.79 1.74 2lbpA1 LYS 327 HG2 0.04 -0.05 -0.07 -0.04 1.46 1.33 2lbpA1 LYS 327 HG3 0.05 -0.01 -0.35 -0.04 1.46 1.11 2lbpA1 LYS 327 HD2 0.02 0.03 -0.14 -0.04 1.69 1.56 2lbpA1 LYS 327 HD3 0.02 -0.03 -0.07 -0.04 1.68 1.57 2lbpA1 LYS 327 HE2 0.04 0.01 -0.05 -0.04 2.99 2.95 2lbpA1 LYS 327 HE3 0.05 -0.11 -0.05 -0.04 2.99 2.84 2lbpA1 GLY 328 H 0.04 0.13 0.08 -0.55 8.43 8.13 2lbpA1 GLY 328 HA2 0.02 0.03 0.25 -0.51 4.01 3.80 2lbpA1 GLY 328 HA3 0.01 0.11 0.31 -0.51 4.01 3.93 2lbpA1 PHE 329 H 0.18 0.01 -0.56 -0.55 8.34 7.41 2lbpA1 PHE 329 HA 0.00 0.16 0.46 -0.75 4.62 4.48 2lbpA1 PHE 329 HB2 -0.04 0.08 -0.12 -0.04 3.15 3.03 2lbpA1 PHE 329 HB3 0.04 -0.11 -0.04 -0.04 3.06 2.91 2lbpA1 PHE 329 HD2 0.07 -0.00 -0.20 -0.04 7.28 7.10 2lbpA1 PHE 329 HE2 0.06 -0.02 -0.12 -0.04 7.38 7.26 2lbpA1 PHE 329 HZ 0.09 -0.07 -0.03 -0.04 7.32 7.27 2lbpA1 ASP 330 H -0.53 0.26 0.20 -0.55 8.40 7.78 2lbpA1 ASP 330 HA 0.04 0.17 1.02 -0.75 4.63 5.09 2lbpA1 ASP 330 HB2 -0.08 0.09 -0.18 -0.04 2.71 2.49 2lbpA1 ASP 330 HB3 0.00 -0.03 0.06 -0.04 2.70 2.68 2lbpA1 PHE 331 H 0.27 0.12 0.05 -0.55 8.34 8.22 2lbpA1 PHE 331 HA 0.01 -0.02 0.39 -0.75 4.62 4.24 2lbpA1 PHE 331 HB2 0.05 -0.02 -0.01 -0.04 3.15 3.13 2lbpA1 PHE 331 HB3 0.08 0.14 -0.16 -0.04 3.06 3.08 2lbpA1 PHE 331 HD2 0.17 0.03 -0.38 -0.04 7.28 7.07 2lbpA1 PHE 331 HE2 0.17 -0.00 -0.15 -0.04 7.38 7.36 2lbpA1 PHE 331 HZ 0.14 -0.04 -0.07 -0.04 7.32 7.31 2lbpA1 GLY 332 H 0.18 0.75 0.20 -0.55 8.43 9.01 2lbpA1 GLY 332 HA2 -0.03 0.18 0.84 -0.51 4.01 4.49 2lbpA1 GLY 332 HA3 -0.01 0.01 0.31 -0.51 4.01 3.80 2lbpA1 VAL 333 H -0.19 0.20 0.21 -0.55 8.24 7.92 2lbpA1 VAL 333 HA 0.03 0.22 0.88 -0.75 4.13 4.50 2lbpA1 VAL 333 HB -0.49 0.01 0.13 -0.04 2.12 1.73 2lbpA1 VAL 333 HG13 -0.64 -0.00 -0.06 -0.04 0.97 0.23 2lbpA1 VAL 333 HG23 -0.31 0.00 -0.08 -0.04 0.95 0.52 2lbpA1 PHE 334 H 0.23 0.67 0.36 -0.55 8.34 9.05 2lbpA1 PHE 334 HA -0.03 0.12 0.97 -0.75 4.62 4.92 2lbpA1 PHE 334 HB2 0.13 -0.05 -0.13 -0.04 3.15 3.06 2lbpA1 PHE 334 HB3 0.01 0.06 -0.24 -0.04 3.06 2.84 2lbpA1 PHE 334 HD2 -0.02 0.02 -0.48 -0.04 7.28 6.76 2lbpA1 PHE 334 HE2 -0.08 0.09 -0.16 -0.04 7.38 7.19 2lbpA1 PHE 334 HZ -0.14 -0.12 -0.00 -0.04 7.32 7.01 2lbpA1 GLN 335 H 0.06 0.90 0.23 -0.55 8.47 9.11 2lbpA1 GLN 335 HA 0.11 0.23 0.80 -0.75 4.36 4.75 2lbpA1 GLN 335 HB2 0.07 -0.01 -0.01 -0.04 2.15 2.15 2lbpA1 GLN 335 HB3 0.03 0.03 0.08 -0.04 2.02 2.12 2lbpA1 GLN 335 HG2 -0.03 -0.11 -0.13 -0.04 2.40 2.09 2lbpA1 GLN 335 HG3 -0.01 0.09 -0.09 -0.04 2.39 2.34 2lbpA1 GLN 335 HE21 0.10 0.02 -0.00 -0.04 6.97 7.04 2lbpA1 GLN 335 HE22 0.08 -0.06 -0.02 -0.04 7.69 7.65 2lbpA1 TRP 336 H 0.21 0.68 0.16 -0.55 7.97 8.47 2lbpA1 TRP 336 HA -0.25 0.15 0.70 -0.75 4.62 4.47 2lbpA1 TRP 336 HB2 -0.05 0.11 -0.02 -0.04 3.23 3.22 2lbpA1 TRP 336 HB3 -0.06 0.07 0.01 -0.04 3.23 3.20 2lbpA1 TRP 336 HD1 -0.02 0.04 -0.20 -0.04 7.22 7.00 2lbpA1 TRP 336 HE1 -0.02 -0.10 -0.04 -0.04 10.20 10.00 2lbpA1 TRP 336 HE3 -0.03 0.03 -0.27 -0.04 7.59 7.29 2lbpA1 TRP 336 HZ2 -0.04 0.02 -0.20 -0.04 7.44 7.18 2lbpA1 TRP 336 HZ3 -0.11 -0.02 -0.16 -0.04 7.13 6.80 2lbpA1 TRP 336 HH2 -0.07 0.08 -0.22 -0.04 7.19 6.94 2lbpA1 HIS 337 H -0.58 0.35 0.22 -0.55 8.41 7.86 2lbpA1 HIS 337 HA 0.07 0.19 1.01 -0.75 4.63 5.14 2lbpA1 HIS 337 HB2 -0.19 -0.07 0.05 -0.04 3.26 3.02 2lbpA1 HIS 337 HB3 -0.05 -0.07 0.02 -0.04 3.20 3.06 2lbpA1 HIS 337 HD2 -0.16 -0.13 -0.48 -0.04 6.97 6.16 2lbpA1 HIS 337 HE1 0.01 0.04 -0.09 -0.04 7.75 7.66 2lbpA1 ALA 338 H 0.17 0.23 0.15 -0.55 8.40 8.40 2lbpA1 ALA 338 HA 0.15 0.19 0.35 -0.75 4.34 4.27 2lbpA1 ALA 338 HB3 0.07 0.02 0.08 -0.04 1.41 1.55 2lbpA1 ASP 339 H 0.08 -0.06 -0.60 -0.55 8.40 7.28 2lbpA1 ASP 339 HA 0.04 0.28 0.78 -0.75 4.63 4.97 2lbpA1 ASP 339 HB2 -0.00 0.05 0.10 -0.04 2.71 2.82 2lbpA1 ASP 339 HB3 0.01 0.03 -0.04 -0.04 2.70 2.66 2lbpA1 GLY 340 H 0.02 0.46 -0.07 -0.55 8.43 8.29 2lbpA1 GLY 340 HA2 0.24 0.02 0.29 -0.51 4.01 4.05 2lbpA1 GLY 340 HA3 0.07 0.15 0.71 -0.51 4.01 4.43 2lbpA1 SER 341 H -0.16 -0.11 -0.10 -0.55 8.46 7.55 2lbpA1 SER 341 HA -0.30 0.19 0.59 -0.75 4.49 4.22 2lbpA1 SER 341 HB2 -0.09 0.04 0.05 -0.04 3.95 3.90 2lbpA1 SER 341 HB3 -0.09 0.03 -0.07 -0.04 3.93 3.76 2lbpA1 SER 342 H -0.19 0.17 0.08 -0.55 8.46 7.98 2lbpA1 SER 342 HA -0.37 0.28 0.91 -0.75 4.49 4.56 2lbpA1 SER 342 HB2 -0.39 -0.05 -0.04 -0.04 3.95 3.43 2lbpA1 SER 342 HB3 -0.00 0.00 -0.14 -0.04 3.93 3.74 2lbpA1 THR 343 H -0.03 0.48 0.22 -0.55 8.28 8.41 2lbpA1 THR 343 HA 0.05 0.10 0.69 -0.75 4.39 4.48 2lbpA1 THR 343 HB 0.13 -0.01 0.08 -0.04 4.32 4.48 2lbpA1 THR 343 HG23 0.02 0.10 -0.02 -0.04 1.22 1.28 2lbpA1 LYS 344 H -0.09 0.09 0.20 -0.55 8.42 8.06 2lbpA1 LYS 344 HA -0.65 0.11 0.62 -0.75 4.32 3.65 2lbpA1 LYS 344 HB2 -0.50 -0.06 0.16 -0.04 1.87 1.43 2lbpA1 LYS 344 HB3 -0.26 -0.00 0.12 -0.04 1.79 1.60 2lbpA1 LYS 344 HG2 -1.05 0.08 0.17 -0.04 1.46 0.61 2lbpA1 LYS 344 HG3 -0.46 -0.08 0.08 -0.04 1.46 0.95 2lbpA1 LYS 344 HD2 -0.26 0.13 -0.09 -0.04 1.69 1.43 2lbpA1 LYS 344 HD3 -0.33 -0.08 0.23 -0.04 1.68 1.46 2lbpA1 LYS 344 HE2 -0.14 0.02 0.07 -0.04 2.99 2.90 2lbpA1 LYS 344 HE3 -0.19 -0.10 0.02 -0.04 2.99 2.68 2lbpA1 ALA 345 H -0.28 0.55 0.20 -0.55 8.40 8.32 2lbpA1 ALA 345 HA -0.02 0.21 0.91 -0.75 4.34 4.68 2lbpA1 ALA 345 HB3 -0.05 -0.02 -0.14 -0.04 1.41 1.16 2lbpA1 LYS 346 H 0.09 0.14 0.04 -0.55 8.42 8.13 2lbpA1 LYS 346 HA 0.04 0.09 0.12 -0.75 4.32 3.82 2lbpA1 LYS 346 HB2 0.04 0.05 0.06 -0.04 1.87 1.98 2lbpA1 LYS 346 HB3 0.06 -0.00 0.08 -0.04 1.79 1.88 2lbpA1 LYS 346 HG2 0.15 -0.04 0.01 -0.04 1.46 1.54 2lbpA1 LYS 346 HG3 0.12 0.01 -0.03 -0.04 1.46 1.52 2lbpA1 LYS 346 HD2 0.01 0.00 0.02 -0.04 1.69 1.68 2lbpA1 LYS 346 HD3 0.04 -0.02 0.01 -0.04 1.68 1.67 2lbpA1 LYS 346 HE2 0.03 -0.03 -0.04 -0.04 2.99 2.90 2lbpA1 LYS 346 HE3 -0.07 -0.02 -0.07 -0.04 2.99 2.79