============================================================================= 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. HIS 4 0.900 90.267 41.901 66.888 -99.200 -91.000 TYR 9 0.840 99.094 29.415 60.768 -99.200 -91.000 PHE 11 1.000 91.587 29.426 67.979 -99.200 -91.000 PHE 20 1.000 90.858 20.377 71.710 -99.200 -91.000 TYR 26 0.840 80.935 26.515 78.446 -99.200 -91.000 PHE 46 1.000 77.251 34.345 59.812 -99.200 -91.000 PHE 47 1.000 79.184 42.390 56.166 -99.200 -91.000 TYR 54 0.840 72.463 35.005 62.062 -99.200 -91.000 PHE 57 1.000 80.322 31.735 65.715 -99.200 -91.000 PHE 71 1.000 74.873 42.761 58.613 -99.200 -91.000 TYR 88 0.840 74.204 50.247 65.499 -99.200 -91.000 HIS 96 0.900 82.608 40.706 53.212 -99.200 -91.000 TYR 98 0.840 84.317 41.205 48.130 -99.200 -91.000 PHE 104 1.000 89.595 47.115 56.048 -99.200 -91.000 HIS 121 0.900 92.525 33.836 54.847 -99.200 -91.000 HIS 123 0.900 83.833 28.136 59.161 -99.200 -91.000 TYR 132 0.840 85.316 18.755 71.965 -99.200 -91.000 HIS 137 0.900 86.639 7.789 67.709 -99.200 -91.000 PHE 138 1.000 91.015 8.546 66.178 -99.200 -91.000 PHE 146 1.000 94.690 14.307 61.294 -99.200 -91.000 TYR 154 0.840 89.562 27.198 43.844 -99.200 -91.000 PHE 168 1.000 96.772 19.957 68.542 -99.200 -91.000 TYR 174 0.840 98.208 8.868 52.913 -99.200 -91.000 TYR 193 0.840 100.670 19.016 59.263 -99.200 -91.000 PHE 202 1.000 87.655 2.666 47.118 -99.200 -91.000 TYR 212 0.840 87.527 18.220 57.462 -99.200 -91.000 PHE 221 1.000 86.428 19.229 38.137 -99.200 -91.000 TYR 227 0.840 80.911 17.391 38.935 -99.200 -91.000 TYR 234 0.840 88.576 12.679 43.735 -99.200 -91.000 HIS 252 0.900 80.780 17.415 54.394 -99.200 -91.000 TYR 272 0.840 78.643 12.002 58.293 -99.200 -91.000 PHE 273 1.000 74.109 13.451 60.446 -99.200 -91.000 TYR 278 0.840 81.103 16.785 69.899 -99.200 -91.000 TYR 291 0.840 83.484 39.022 74.319 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2be9A1 MET 0 HA -0.03 -0.13 0.21 -0.75 4.52 3.81 2be9A1 MET 0 HB2 -0.03 -0.05 0.05 -0.04 2.15 2.08 2be9A1 MET 0 HB3 -0.05 -0.02 0.00 -0.04 2.03 1.93 2be9A1 MET 0 HG2 -0.06 0.28 -0.14 -0.04 2.63 2.68 2be9A1 MET 0 HG3 -0.03 -0.09 0.06 -0.04 2.56 2.47 2be9A1 MET 0 HE3 -0.05 0.05 0.05 -0.04 2.10 2.11 2be9A1 LEU 1 H -0.03 0.04 0.05 -0.55 8.37 7.88 2be9A1 LEU 1 HA -0.09 -0.00 0.48 -0.75 4.35 3.97 2be9A1 LEU 1 HB2 -0.02 0.04 -0.03 -0.04 1.64 1.59 2be9A1 LEU 1 HB3 -0.06 0.01 -0.14 -0.04 1.64 1.42 2be9A1 LEU 1 HG -0.01 -0.04 0.03 -0.04 1.64 1.58 2be9A1 LEU 1 HD13 0.18 -0.02 -0.05 -0.04 0.93 0.99 2be9A1 LEU 1 HD23 -0.27 -0.00 -0.09 -0.04 0.89 0.48 2be9A1 LYS 2 H -0.12 0.06 0.09 -0.55 8.42 7.89 2be9A1 LYS 2 HA -0.23 0.22 0.64 -0.75 4.32 4.20 2be9A1 LYS 2 HB2 -0.19 0.16 -0.07 -0.04 1.87 1.73 2be9A1 LYS 2 HB3 -0.27 -0.16 0.19 -0.04 1.79 1.52 2be9A1 LYS 2 HG2 -0.63 -0.12 -0.16 -0.04 1.46 0.52 2be9A1 LYS 2 HG3 -0.31 0.09 0.07 -0.04 1.46 1.26 2be9A1 LYS 2 HD2 -0.21 0.02 0.01 -0.04 1.69 1.47 2be9A1 LYS 2 HD3 -0.42 -0.07 0.01 -0.04 1.68 1.16 2be9A1 LYS 2 HE2 -0.51 -0.03 -0.19 -0.04 2.99 2.22 2be9A1 LYS 2 HE3 -0.24 -0.03 -0.03 -0.04 2.99 2.64 2be9A1 HIS 3 H -0.19 0.16 0.20 -0.55 8.41 8.04 2be9A1 HIS 3 HA -0.04 0.18 0.84 -0.75 4.63 4.85 2be9A1 HIS 3 HB2 -0.04 -0.04 0.18 -0.04 3.26 3.32 2be9A1 HIS 3 HB3 -0.03 -0.05 0.08 -0.04 3.20 3.16 2be9A1 HIS 3 HD2 -0.04 -0.05 0.06 -0.04 6.97 6.90 2be9A1 HIS 3 HE1 -0.03 0.32 -0.25 -0.04 7.75 7.75 2be9A1 ILE 4 H 0.07 0.61 0.32 -0.55 8.25 8.71 2be9A1 ILE 4 HA -0.09 0.20 1.01 -0.75 4.18 4.56 2be9A1 ILE 4 HB 0.11 -0.10 0.23 -0.04 1.89 2.10 2be9A1 ILE 4 HG12 0.02 0.17 -0.29 -0.04 1.49 1.35 2be9A1 ILE 4 HG13 0.15 -0.00 -0.12 -0.04 1.21 1.20 2be9A1 ILE 4 HG23 0.16 -0.02 -0.14 -0.04 0.93 0.88 2be9A1 ILE 4 HD13 -0.19 0.04 -0.19 -0.04 0.88 0.50 2be9A1 ILE 5 H -0.00 0.21 -0.02 -0.55 8.25 7.89 2be9A1 ILE 5 HA 0.05 0.15 1.00 -0.75 4.18 4.63 2be9A1 ILE 5 HB 0.05 -0.17 -0.09 -0.04 1.89 1.64 2be9A1 ILE 5 HG12 0.03 0.00 0.05 -0.04 1.49 1.53 2be9A1 ILE 5 HG13 0.06 -0.05 -0.13 -0.04 1.21 1.05 2be9A1 ILE 5 HG23 0.01 0.03 -0.35 -0.04 0.93 0.59 2be9A1 ILE 5 HD13 0.01 0.03 -0.05 -0.04 0.88 0.83 2be9A1 SER 6 H 0.01 0.18 0.15 -0.55 8.46 8.26 2be9A1 SER 6 HA -0.01 0.16 0.93 -0.75 4.49 4.82 2be9A1 SER 6 HB2 0.09 0.08 -0.06 -0.04 3.95 4.01 2be9A1 SER 6 HB3 0.09 0.05 0.04 -0.04 3.93 4.07 2be9A1 ALA 7 H -0.05 0.14 0.12 -0.55 8.40 8.07 2be9A1 ALA 7 HA 0.32 0.11 0.52 -0.75 4.34 4.53 2be9A1 ALA 7 HB3 -0.06 0.00 0.09 -0.04 1.41 1.40 2be9A1 TYR 8 H -0.06 -0.07 -0.35 -0.55 8.29 7.26 2be9A1 TYR 8 HA 0.06 0.24 0.35 -0.75 4.56 4.46 2be9A1 TYR 8 HB2 0.02 -0.13 -0.02 -0.04 3.06 2.89 2be9A1 TYR 8 HB3 0.01 0.10 -0.02 -0.04 2.98 3.03 2be9A1 TYR 8 HD2 0.04 0.02 -0.04 -0.04 7.15 7.13 2be9A1 TYR 8 HE2 0.02 0.06 -0.01 -0.04 6.85 6.88 2be9A1 ASN 9 H 0.01 0.20 -0.35 -0.55 8.53 7.84 2be9A1 ASN 9 HA -0.06 0.08 0.47 -0.75 4.76 4.49 2be9A1 ASN 9 HB2 -0.51 0.06 0.07 -0.04 2.88 2.46 2be9A1 ASN 9 HB3 -0.31 0.08 0.10 -0.04 2.79 2.62 2be9A1 ASN 9 HD21 0.01 -0.07 0.03 -0.04 7.03 6.95 2be9A1 ASN 9 HD22 -0.02 0.14 -0.01 -0.04 7.74 7.81 2be9A1 PHE 10 H 0.09 0.33 -0.39 -0.55 8.34 7.81 2be9A1 PHE 10 HA 0.02 0.05 0.69 -0.75 4.62 4.63 2be9A1 PHE 10 HB2 0.05 0.10 0.05 -0.04 3.15 3.31 2be9A1 PHE 10 HB3 0.01 0.00 -0.01 -0.04 3.06 3.02 2be9A1 PHE 10 HD2 0.03 0.08 -0.00 -0.04 7.28 7.34 2be9A1 PHE 10 HE2 0.06 -0.05 -0.15 -0.04 7.38 7.20 2be9A1 PHE 10 HZ 0.08 -0.04 -0.14 -0.04 7.32 7.18 2be9A1 SER 11 H 0.10 0.06 0.18 -0.55 8.46 8.25 2be9A1 SER 11 HA 0.03 0.30 0.86 -0.75 4.49 4.93 2be9A1 SER 11 HB2 -0.01 -0.04 0.20 -0.04 3.95 4.05 2be9A1 SER 11 HB3 0.01 0.17 0.11 -0.04 3.93 4.18 2be9A1 ARG 12 H -0.09 0.25 0.18 -0.55 8.46 8.26 2be9A1 ARG 12 HA -0.27 0.11 0.48 -0.75 4.34 3.91 2be9A1 ARG 12 HB2 -0.29 0.19 0.24 -0.04 1.90 2.00 2be9A1 ARG 12 HB3 -0.15 -0.07 0.14 -0.04 1.80 1.68 2be9A1 ARG 12 HG2 -0.21 -0.10 -0.06 -0.04 1.67 1.26 2be9A1 ARG 12 HG3 -0.87 0.06 0.07 -0.04 1.67 0.89 2be9A1 ARG 12 HD2 -0.20 0.07 0.08 -0.04 3.22 3.13 2be9A1 ARG 12 HD3 -0.11 -0.06 0.00 -0.04 3.22 3.01 2be9A1 ASP 13 H -0.06 0.11 -0.08 -0.55 8.40 7.83 2be9A1 ASP 13 HA -0.04 0.10 0.43 -0.75 4.63 4.36 2be9A1 ASP 13 HB2 -0.02 -0.03 0.08 -0.04 2.71 2.70 2be9A1 ASP 13 HB3 -0.02 0.07 -0.04 -0.04 2.70 2.68 2be9A1 GLU 14 H 0.00 0.07 -0.30 -0.55 8.60 7.83 2be9A1 GLU 14 HA 0.01 0.12 0.41 -0.75 4.29 4.07 2be9A1 GLU 14 HB2 0.13 -0.06 0.19 -0.04 2.09 2.30 2be9A1 GLU 14 HB3 0.15 0.05 0.04 -0.04 1.99 2.19 2be9A1 GLU 14 HG2 0.04 0.08 0.04 -0.04 2.34 2.45 2be9A1 GLU 14 HG3 0.02 -0.07 0.01 -0.04 2.34 2.26 2be9A1 LEU 15 H -0.06 0.47 -0.21 -0.55 8.37 8.02 2be9A1 LEU 15 HA -0.32 0.01 0.37 -0.75 4.35 3.65 2be9A1 LEU 15 HB2 -0.10 0.14 0.13 -0.04 1.64 1.77 2be9A1 LEU 15 HB3 -0.42 -0.03 -0.03 -0.04 1.64 1.12 2be9A1 LEU 15 HG 0.01 0.07 -0.01 -0.04 1.64 1.66 2be9A1 LEU 15 HD13 0.18 -0.00 -0.14 -0.04 0.93 0.93 2be9A1 LEU 15 HD23 -0.39 -0.02 -0.05 -0.04 0.89 0.39 2be9A1 GLU 16 H -0.18 0.48 -0.15 -0.55 8.60 8.20 2be9A1 GLU 16 HA -0.23 0.03 0.35 -0.75 4.29 3.68 2be9A1 GLU 16 HB2 -0.04 0.07 0.13 -0.04 2.09 2.21 2be9A1 GLU 16 HB3 0.03 -0.01 0.03 -0.04 1.99 2.00 2be9A1 GLU 16 HG2 -0.00 0.15 0.07 -0.04 2.34 2.52 2be9A1 GLU 16 HG3 0.04 -0.03 -0.01 -0.04 2.34 2.30 2be9A1 ASP 17 H -0.08 0.44 -0.22 -0.55 8.40 7.99 2be9A1 ASP 17 HA -0.01 0.01 0.42 -0.75 4.63 4.30 2be9A1 ASP 17 HB2 -0.03 0.18 0.21 -0.04 2.71 3.03 2be9A1 ASP 17 HB3 -0.01 0.06 -0.02 -0.04 2.70 2.68 2be9A1 ILE 18 H -0.12 0.50 -0.22 -0.55 8.25 7.87 2be9A1 ILE 18 HA 0.01 0.02 0.44 -0.75 4.18 3.90 2be9A1 ILE 18 HB -0.17 0.09 0.16 -0.04 1.89 1.93 2be9A1 ILE 18 HG12 0.06 -0.03 -0.16 -0.04 1.49 1.32 2be9A1 ILE 18 HG13 0.02 0.10 -0.02 -0.04 1.21 1.27 2be9A1 ILE 18 HG23 0.03 -0.03 -0.14 -0.04 0.93 0.76 2be9A1 ILE 18 HD13 0.06 -0.04 -0.13 -0.04 0.88 0.73 2be9A1 PHE 19 H -0.13 0.60 -0.12 -0.55 8.34 8.14 2be9A1 PHE 19 HA 0.21 -0.01 0.40 -0.75 4.62 4.46 2be9A1 PHE 19 HB2 0.10 0.13 0.15 -0.04 3.15 3.48 2be9A1 PHE 19 HB3 0.17 -0.02 -0.02 -0.04 3.06 3.15 2be9A1 PHE 19 HD2 0.15 -0.04 -0.08 -0.04 7.28 7.27 2be9A1 PHE 19 HE2 0.07 -0.02 -0.12 -0.04 7.38 7.27 2be9A1 PHE 19 HZ -0.02 -0.06 -0.23 -0.04 7.32 6.98 2be9A1 ALA 20 H 0.14 0.56 -0.10 -0.55 8.40 8.46 2be9A1 ALA 20 HA 0.09 0.00 0.43 -0.75 4.34 4.11 2be9A1 ALA 20 HB3 0.03 0.03 0.09 -0.04 1.41 1.52 2be9A1 LEU 21 H -0.00 0.52 -0.18 -0.55 8.37 8.17 2be9A1 LEU 21 HA -0.23 0.01 0.42 -0.75 4.35 3.80 2be9A1 LEU 21 HB2 -0.03 0.07 0.17 -0.04 1.64 1.80 2be9A1 LEU 21 HB3 -0.23 -0.04 0.01 -0.04 1.64 1.34 2be9A1 LEU 21 HG -0.05 0.07 0.04 -0.04 1.64 1.66 2be9A1 LEU 21 HD13 0.03 -0.01 -0.08 -0.04 0.93 0.83 2be9A1 LEU 21 HD23 -0.16 -0.01 -0.01 -0.04 0.89 0.67 2be9A1 THR 22 H -0.02 0.67 -0.15 -0.55 8.28 8.24 2be9A1 THR 22 HA -0.01 0.01 0.32 -0.75 4.39 3.96 2be9A1 THR 22 HB -0.44 0.12 0.13 -0.04 4.32 4.09 2be9A1 THR 22 HG23 -0.82 -0.05 -0.19 -0.04 1.22 0.12 2be9A1 ASP 23 H 0.08 0.70 -0.06 -0.55 8.40 8.57 2be9A1 ASP 23 HA 0.10 -0.03 0.43 -0.75 4.63 4.37 2be9A1 ASP 23 HB2 0.05 0.17 0.18 -0.04 2.71 3.06 2be9A1 ASP 23 HB3 0.04 -0.06 0.00 -0.04 2.70 2.64 2be9A1 LYS 24 H -0.07 0.55 -0.18 -0.55 8.42 8.17 2be9A1 LYS 24 HA -0.02 -0.02 0.42 -0.75 4.32 3.94 2be9A1 LYS 24 HB2 -0.10 -0.04 0.11 -0.04 1.87 1.79 2be9A1 LYS 24 HB3 -0.31 0.13 0.20 -0.04 1.79 1.77 2be9A1 LYS 24 HG2 -0.22 0.01 -0.14 -0.04 1.46 1.07 2be9A1 LYS 24 HG3 -0.04 -0.03 -0.00 -0.04 1.46 1.34 2be9A1 LYS 24 HD2 -0.04 -0.04 -0.01 -0.04 1.69 1.56 2be9A1 LYS 24 HD3 -0.05 -0.03 0.01 -0.04 1.68 1.57 2be9A1 LYS 24 HE2 -0.06 -0.04 -0.00 -0.04 2.99 2.85 2be9A1 LYS 24 HE3 -0.13 0.02 -0.01 -0.04 2.99 2.84 2be9A1 TYR 25 H -0.09 0.59 -0.06 -0.55 8.29 8.17 2be9A1 TYR 25 HA 0.01 0.03 0.34 -0.75 4.56 4.19 2be9A1 TYR 25 HB2 -0.02 0.05 0.10 -0.04 3.06 3.15 2be9A1 TYR 25 HB3 -0.00 -0.08 -0.00 -0.04 2.98 2.86 2be9A1 TYR 25 HD2 -0.00 0.04 -0.09 -0.04 7.15 7.06 2be9A1 TYR 25 HE2 0.02 -0.06 -0.18 -0.04 6.85 6.59 2be9A1 SER 26 H 0.10 0.66 -0.15 -0.55 8.46 8.52 2be9A1 SER 26 HA 0.11 -0.03 0.55 -0.75 4.49 4.37 2be9A1 SER 26 HB2 0.09 0.23 0.20 -0.04 3.95 4.42 2be9A1 SER 26 HB3 0.12 -0.09 -0.08 -0.04 3.93 3.84 2be9A1 LYS 27 H 0.07 0.46 -0.16 -0.55 8.42 8.24 2be9A1 LYS 27 HA 0.05 -0.01 0.53 -0.75 4.32 4.13 2be9A1 LYS 27 HB2 0.04 0.06 0.27 -0.04 1.87 2.20 2be9A1 LYS 27 HB3 0.03 -0.09 0.13 -0.04 1.79 1.82 2be9A1 LYS 27 HG2 0.04 -0.07 0.03 -0.04 1.46 1.42 2be9A1 LYS 27 HG3 0.04 0.28 0.13 -0.04 1.46 1.88 2be9A1 ASN 28 H 0.05 0.29 0.06 -0.55 8.53 8.39 2be9A1 ASN 28 HA 0.07 0.21 -0.10 -0.75 4.76 4.19 2be9A1 LEU 29 H 0.06 0.62 0.47 -0.55 8.37 8.98 2be9A1 LEU 29 HA 0.03 -0.04 0.37 -0.75 4.35 3.96 2be9A1 LEU 29 HB2 0.05 0.03 0.09 -0.04 1.64 1.77 2be9A1 LEU 29 HB3 0.03 -0.17 0.10 -0.04 1.64 1.56 2be9A1 LEU 29 HG 0.03 0.03 0.12 -0.04 1.64 1.78 2be9A1 LEU 29 HD13 0.04 0.07 0.13 -0.04 0.93 1.13 2be9A1 LEU 29 HD23 0.02 -0.03 0.04 -0.04 0.89 0.88 2be9A1 ASN 30 H 0.02 0.09 0.18 -0.55 8.53 8.27 2be9A1 ASN 30 HA 0.02 0.25 0.73 -0.75 4.76 5.01 2be9A1 ASN 30 HB2 0.01 0.01 0.22 -0.04 2.88 3.07 2be9A1 ASN 30 HB3 0.01 0.04 0.13 -0.04 2.79 2.93 2be9A1 ASN 30 HD21 0.01 -0.01 0.04 -0.04 7.03 7.02 2be9A1 ASN 30 HD22 0.01 0.03 0.10 -0.04 7.74 7.84 2be9A1 ASP 31 H 0.03 0.03 -0.46 -0.55 8.40 7.46 2be9A1 ASP 31 HA 0.02 0.28 0.84 -0.75 4.63 5.02 2be9A1 ASP 31 HB2 0.02 0.01 0.12 -0.04 2.71 2.83 2be9A1 ASP 31 HB3 0.02 -0.04 -0.07 -0.04 2.70 2.57 2be9A1 THR 32 H 0.05 0.21 -0.24 -0.55 8.28 7.75 2be9A1 THR 32 HA 0.12 -0.00 0.48 -0.75 4.39 4.24 2be9A1 THR 32 HB 0.23 -0.03 0.03 -0.04 4.32 4.52 2be9A1 THR 32 HG23 0.04 0.00 0.01 -0.04 1.22 1.23 2be9A1 ARG 33 H 0.13 0.07 0.15 -0.55 8.46 8.26 2be9A1 ARG 33 HA 0.04 0.03 0.42 -0.75 4.34 4.09 2be9A1 ARG 33 HB2 0.08 -0.01 0.18 -0.04 1.90 2.12 2be9A1 ARG 33 HB3 0.08 -0.01 0.10 -0.04 1.80 1.93 2be9A1 ARG 33 HG2 0.04 0.01 -0.06 -0.04 1.67 1.63 2be9A1 ARG 33 HG3 0.04 0.01 0.03 -0.04 1.67 1.71 2be9A1 ARG 33 HD2 0.05 0.02 0.03 -0.04 3.22 3.27 2be9A1 ARG 33 HD3 0.04 0.01 -0.00 -0.04 3.22 3.22 2be9A1 LYS 34 H 0.02 0.11 0.12 -0.55 8.42 8.12 2be9A1 LYS 34 HA -0.01 0.14 0.37 -0.75 4.32 4.07 2be9A1 LYS 34 HB2 0.00 -0.06 0.19 -0.04 1.87 1.96 2be9A1 LYS 34 HB3 -0.01 0.00 0.03 -0.04 1.79 1.77 2be9A1 LYS 34 HG2 0.00 -0.00 0.05 -0.04 1.46 1.47 2be9A1 LYS 34 HG3 -0.01 -0.05 -0.01 -0.04 1.46 1.35 2be9A1 LYS 34 HD2 -0.02 -0.07 -0.33 -0.04 1.69 1.23 2be9A1 LYS 34 HD3 -0.01 0.10 -0.28 -0.04 1.68 1.46 2be9A1 LYS 34 HE2 -0.01 0.11 -0.02 -0.04 2.99 3.03 2be9A1 LYS 34 HE3 -0.00 -0.02 -0.02 -0.04 2.99 2.91 2be9A1 ILE 35 H 0.02 0.49 0.13 -0.55 8.25 8.35 2be9A1 ILE 35 HA 0.03 0.03 0.17 -0.75 4.18 3.65 2be9A1 ILE 35 HB 0.07 0.04 0.00 -0.04 1.89 1.96 2be9A1 ILE 35 HG12 0.06 0.03 0.01 -0.04 1.49 1.54 2be9A1 ILE 35 HG13 0.01 0.02 -0.16 -0.04 1.21 1.04 2be9A1 ILE 35 HG23 0.08 0.06 0.02 -0.04 0.93 1.05 2be9A1 ILE 35 HD13 0.13 -0.02 -0.27 -0.04 0.88 0.67 2be9A1 LEU 36 H -0.03 0.53 -0.30 -0.55 8.37 8.01 2be9A1 LEU 36 HA -0.12 0.20 0.79 -0.75 4.35 4.47 2be9A1 LEU 36 HB2 -0.08 0.04 -0.11 -0.04 1.64 1.44 2be9A1 LEU 36 HB3 -0.11 -0.10 -0.03 -0.04 1.64 1.36 2be9A1 LEU 36 HG -0.30 -0.07 -0.11 -0.04 1.64 1.12 2be9A1 LEU 36 HD13 -0.46 0.02 -0.22 -0.04 0.93 0.23 2be9A1 LEU 36 HD23 -0.10 -0.02 -0.12 -0.04 0.89 0.60 2be9A1 SER 37 H -0.02 0.55 -0.16 -0.55 8.46 8.28 2be9A1 SER 37 HA -0.03 0.20 0.43 -0.75 4.49 4.34 2be9A1 SER 37 HB2 -0.01 -0.03 0.17 -0.04 3.95 4.04 2be9A1 SER 37 HB3 -0.01 0.09 0.16 -0.04 3.93 4.13 2be9A1 GLY 38 H -0.02 0.17 0.23 -0.55 8.43 8.26 2be9A1 GLY 38 HA2 -0.01 -0.06 0.34 -0.51 4.01 3.76 2be9A1 GLY 38 HA3 -0.01 0.05 0.49 -0.51 4.01 4.03 2be9A1 LYS 39 H -0.05 0.53 -0.18 -0.55 8.42 8.17 2be9A1 LYS 39 HA -0.03 0.16 0.95 -0.75 4.32 4.64 2be9A1 LYS 39 HB2 -0.14 0.10 -0.03 -0.04 1.87 1.76 2be9A1 LYS 39 HB3 -0.15 -0.08 -0.04 -0.04 1.79 1.48 2be9A1 LYS 39 HG2 -0.02 0.04 -0.19 -0.04 1.46 1.24 2be9A1 LYS 39 HG3 -0.05 0.15 -0.36 -0.04 1.46 1.17 2be9A1 LYS 39 HD2 -0.17 0.02 -0.04 -0.04 1.69 1.47 2be9A1 LYS 39 HD3 -0.05 -0.05 -0.01 -0.04 1.68 1.53 2be9A1 LYS 39 HE2 0.03 0.06 -0.03 -0.04 2.99 3.00 2be9A1 LYS 39 HE3 0.13 0.01 0.02 -0.04 2.99 3.10 2be9A1 THR 40 H -0.03 0.20 0.16 -0.55 8.28 8.06 2be9A1 THR 40 HA -0.03 0.31 1.05 -0.75 4.39 4.96 2be9A1 THR 40 HB 0.02 0.03 0.21 -0.04 4.32 4.54 2be9A1 THR 40 HG23 0.01 -0.02 -0.24 -0.04 1.22 0.93 2be9A1 ILE 41 H -0.05 0.58 0.21 -0.55 8.25 8.44 2be9A1 ILE 41 HA -0.02 0.15 0.99 -0.75 4.18 4.54 2be9A1 ILE 41 HB -0.06 -0.01 0.01 -0.04 1.89 1.79 2be9A1 ILE 41 HG12 -0.13 0.03 -0.18 -0.04 1.49 1.17 2be9A1 ILE 41 HG13 -0.09 -0.01 -0.14 -0.04 1.21 0.92 2be9A1 ILE 41 HG23 -0.04 -0.02 -0.33 -0.04 0.93 0.50 2be9A1 ILE 41 HD13 -0.19 0.01 -0.26 -0.04 0.88 0.40 2be9A1 SER 42 H 0.00 0.61 0.30 -0.55 8.46 8.82 2be9A1 SER 42 HA -0.03 0.38 1.04 -0.75 4.49 5.12 2be9A1 SER 42 HB2 0.03 -0.08 -0.11 -0.04 3.95 3.76 2be9A1 SER 42 HB3 0.07 0.04 -0.05 -0.04 3.93 3.95 2be9A1 ILE 43 H -0.15 0.74 0.46 -0.55 8.25 8.74 2be9A1 ILE 43 HA -0.25 0.18 0.96 -0.75 4.18 4.32 2be9A1 ILE 43 HB -0.65 -0.03 0.19 -0.04 1.89 1.35 2be9A1 ILE 43 HG12 -0.34 -0.01 -0.15 -0.04 1.49 0.95 2be9A1 ILE 43 HG13 -0.25 0.10 -0.25 -0.04 1.21 0.78 2be9A1 ILE 43 HG23 -1.25 -0.01 -0.04 -0.04 0.93 -0.41 2be9A1 ILE 43 HD13 -0.42 0.01 -0.10 -0.04 0.88 0.33 2be9A1 ALA 44 H -0.11 0.72 0.23 -0.55 8.40 8.70 2be9A1 ALA 44 HA -1.48 0.08 0.70 -0.75 4.34 2.90 2be9A1 ALA 44 HB3 -0.20 -0.00 0.04 -0.04 1.41 1.21 2be9A1 PHE 45 H -0.32 0.74 0.22 -0.55 8.34 8.43 2be9A1 PHE 45 HA -0.03 0.01 0.96 -0.75 4.62 4.81 2be9A1 PHE 45 HB2 0.11 0.15 0.24 -0.04 3.15 3.61 2be9A1 PHE 45 HB3 0.06 -0.06 0.15 -0.04 3.06 3.18 2be9A1 PHE 45 HD2 -0.01 -0.20 -0.25 -0.04 7.28 6.78 2be9A1 PHE 45 HE2 -0.04 -0.04 -0.20 -0.04 7.38 7.05 2be9A1 PHE 45 HZ 0.09 0.02 -0.26 -0.04 7.32 7.13 2be9A1 PHE 46 H 0.29 0.40 0.16 -0.55 8.34 8.64 2be9A1 PHE 46 HA 0.22 0.11 0.35 -0.75 4.62 4.54 2be9A1 PHE 46 HB2 -0.35 -0.09 0.25 -0.04 3.15 2.91 2be9A1 PHE 46 HB3 -0.27 0.00 0.04 -0.04 3.06 2.79 2be9A1 PHE 46 HD2 0.14 0.14 0.04 -0.04 7.28 7.55 2be9A1 PHE 46 HE2 0.21 0.02 -0.04 -0.04 7.38 7.53 2be9A1 PHE 46 HZ 0.34 0.01 -0.08 -0.04 7.32 7.56 2be9A1 GLU 47 H 0.02 0.36 -0.11 -0.55 8.60 8.33 2be9A1 GLU 47 HA -0.01 0.17 0.72 -0.75 4.29 4.40 2be9A1 GLU 47 HB2 -0.10 -0.11 -0.05 -0.04 2.09 1.79 2be9A1 GLU 47 HB3 -0.09 -0.09 -0.24 -0.04 1.99 1.53 2be9A1 GLU 47 HG2 -0.05 0.10 -0.37 -0.04 2.34 1.98 2be9A1 GLU 47 HG3 -0.03 0.05 -0.05 -0.04 2.34 2.27 2be9A1 PRO 48 HA 0.23 0.08 0.52 -0.51 4.44 4.76 2be9A1 PRO 48 HB2 0.07 -0.03 -0.05 -0.04 2.28 2.23 2be9A1 PRO 48 HB3 0.07 0.04 -0.00 -0.04 2.02 2.09 2be9A1 PRO 48 HG2 0.04 0.03 0.05 -0.04 2.03 2.10 2be9A1 PRO 48 HG3 0.06 0.06 -0.02 -0.04 2.03 2.08 2be9A1 PRO 48 HD2 0.02 0.06 0.18 -0.04 3.68 3.90 2be9A1 PRO 48 HD3 0.03 0.28 0.18 -0.04 3.65 4.10 2be9A1 SER 49 H 0.50 0.26 0.09 -0.55 8.46 8.77 2be9A1 SER 49 HA 0.15 0.07 0.20 -0.75 4.49 4.15 2be9A1 SER 49 HB2 0.13 0.16 0.19 -0.04 3.95 4.39 2be9A1 SER 49 HB3 0.23 0.08 0.05 -0.04 3.93 4.25 2be9A1 THR 50 H 0.11 0.21 0.08 -0.55 8.28 8.13 2be9A1 THR 50 HA 0.07 0.14 0.44 -0.75 4.39 4.30 2be9A1 THR 50 HB 0.04 0.00 0.11 -0.04 4.32 4.44 2be9A1 THR 50 HG23 -0.00 0.03 -0.06 -0.04 1.22 1.14 2be9A1 ARG 51 H 0.12 0.10 -0.02 -0.55 8.46 8.10 2be9A1 ARG 51 HA 0.09 0.13 0.40 -0.75 4.34 4.21 2be9A1 ARG 51 HB2 0.10 0.01 0.08 -0.04 1.90 2.05 2be9A1 ARG 51 HB3 0.14 -0.01 0.03 -0.04 1.80 1.92 2be9A1 ARG 51 HG2 0.10 0.02 -0.22 -0.04 1.67 1.53 2be9A1 ARG 51 HG3 0.08 0.03 0.00 -0.04 1.67 1.75 2be9A1 ARG 51 HD2 0.11 0.10 -0.21 -0.04 3.22 3.18 2be9A1 ARG 51 HD3 0.09 0.01 -0.07 -0.04 3.22 3.22 2be9A1 THR 52 H 0.26 0.07 -0.28 -0.55 8.28 7.78 2be9A1 THR 52 HA 0.22 0.09 0.35 -0.75 4.39 4.29 2be9A1 THR 52 HB 0.60 0.07 -0.01 -0.04 4.32 4.94 2be9A1 THR 52 HG23 0.51 0.02 -0.01 -0.04 1.22 1.70 2be9A1 TYR 53 H 0.30 0.37 -0.17 -0.55 8.29 8.24 2be9A1 TYR 53 HA -0.62 0.03 0.43 -0.75 4.56 3.66 2be9A1 TYR 53 HB2 -0.31 0.14 0.17 -0.04 3.06 3.02 2be9A1 TYR 53 HB3 -0.12 0.05 0.17 -0.04 2.98 3.03 2be9A1 TYR 53 HD2 -0.47 -0.02 -0.19 -0.04 7.15 6.43 2be9A1 TYR 53 HE2 -0.21 0.09 -0.11 -0.04 6.85 6.58 2be9A1 LEU 54 H 0.16 0.54 -0.21 -0.55 8.37 8.31 2be9A1 LEU 54 HA 0.13 0.03 0.21 -0.75 4.35 3.97 2be9A1 LEU 54 HB2 0.08 0.19 0.17 -0.04 1.64 2.04 2be9A1 LEU 54 HB3 0.05 0.00 -0.06 -0.04 1.64 1.59 2be9A1 LEU 54 HG 0.04 0.01 0.00 -0.04 1.64 1.65 2be9A1 LEU 54 HD13 0.08 -0.00 -0.04 -0.04 0.93 0.92 2be9A1 LEU 54 HD23 0.03 -0.00 -0.05 -0.04 0.89 0.82 2be9A1 SER 55 H 0.07 0.39 -0.17 -0.55 8.46 8.21 2be9A1 SER 55 HA -0.02 0.03 0.43 -0.75 4.49 4.17 2be9A1 SER 55 HB2 0.01 0.04 0.09 -0.04 3.95 4.04 2be9A1 SER 55 HB3 0.00 0.06 0.12 -0.04 3.93 4.07 2be9A1 PHE 56 H 0.14 0.47 -0.20 -0.55 8.34 8.20 2be9A1 PHE 56 HA -0.01 0.04 0.34 -0.75 4.62 4.24 2be9A1 PHE 56 HB2 -0.16 0.14 0.12 -0.04 3.15 3.22 2be9A1 PHE 56 HB3 -0.11 0.01 -0.10 -0.04 3.06 2.82 2be9A1 PHE 56 HD2 0.08 0.12 -0.05 -0.04 7.28 7.40 2be9A1 PHE 56 HE2 0.15 -0.02 -0.09 -0.04 7.38 7.39 2be9A1 PHE 56 HZ 0.15 -0.07 -0.13 -0.04 7.32 7.23 2be9A1 GLN 57 H -0.01 0.53 -0.12 -0.55 8.47 8.33 2be9A1 GLN 57 HA -0.03 0.03 0.32 -0.75 4.36 3.92 2be9A1 GLN 57 HB2 -0.05 0.03 0.05 -0.04 2.15 2.14 2be9A1 GLN 57 HB3 0.04 0.05 0.10 -0.04 2.02 2.16 2be9A1 GLN 57 HG2 0.01 0.01 -0.19 -0.04 2.40 2.20 2be9A1 GLN 57 HG3 -0.00 -0.01 -0.01 -0.04 2.39 2.32 2be9A1 GLN 57 HE21 0.06 -0.03 -0.06 -0.04 6.97 6.91 2be9A1 GLN 57 HE22 0.03 0.03 -0.05 -0.04 7.69 7.66 2be9A1 LYS 58 H 0.01 0.64 -0.19 -0.55 8.42 8.32 2be9A1 LYS 58 HA -0.01 0.01 0.35 -0.75 4.32 3.91 2be9A1 LYS 58 HB2 -0.00 0.02 0.10 -0.04 1.87 1.95 2be9A1 LYS 58 HB3 -0.02 0.03 0.12 -0.04 1.79 1.87 2be9A1 LYS 58 HG2 -0.02 -0.02 -0.03 -0.04 1.46 1.35 2be9A1 LYS 58 HG3 -0.03 0.01 -0.16 -0.04 1.46 1.25 2be9A1 LYS 58 HD2 -0.01 -0.02 0.03 -0.04 1.69 1.65 2be9A1 LYS 58 HD3 -0.01 -0.03 -0.01 -0.04 1.68 1.60 2be9A1 LYS 58 HE2 -0.02 0.00 -0.02 -0.04 2.99 2.91 2be9A1 LYS 58 HE3 -0.01 -0.01 -0.02 -0.04 2.99 2.91 2be9A1 ALA 59 H -0.04 0.54 -0.07 -0.55 8.40 8.28 2be9A1 ALA 59 HA -0.08 -0.00 0.42 -0.75 4.34 3.93 2be9A1 ALA 59 HB3 -0.04 0.03 0.01 -0.04 1.41 1.37 2be9A1 ILE 60 H 0.01 0.65 -0.23 -0.55 8.25 8.13 2be9A1 ILE 60 HA -0.03 0.01 0.27 -0.75 4.18 3.68 2be9A1 ILE 60 HB -0.02 0.08 0.04 -0.04 1.89 1.95 2be9A1 ILE 60 HG12 -0.00 -0.03 -0.11 -0.04 1.49 1.30 2be9A1 ILE 60 HG13 0.07 0.01 -0.08 -0.04 1.21 1.18 2be9A1 ILE 60 HG23 -0.05 0.02 -0.27 -0.04 0.93 0.59 2be9A1 ILE 60 HD13 -0.01 -0.03 -0.24 -0.04 0.88 0.55 2be9A1 ILE 61 H -0.02 0.68 -0.02 -0.55 8.25 8.33 2be9A1 ILE 61 HA -0.03 0.14 0.44 -0.75 4.18 3.98 2be9A1 ILE 61 HB -0.02 0.07 0.17 -0.04 1.89 2.06 2be9A1 ILE 61 HG12 -0.01 0.01 0.04 -0.04 1.49 1.48 2be9A1 ILE 61 HG13 -0.01 0.04 0.02 -0.04 1.21 1.22 2be9A1 ILE 61 HG23 -0.02 -0.02 -0.13 -0.04 0.93 0.72 2be9A1 ILE 61 HD13 -0.00 -0.04 -0.07 -0.04 0.88 0.72 2be9A1 ASN 62 H -0.05 0.68 -0.18 -0.55 8.53 8.44 2be9A1 ASN 62 HA -0.05 -0.01 0.31 -0.75 4.76 4.26 2be9A1 ASN 62 HB2 -0.11 0.15 0.10 -0.04 2.88 2.97 2be9A1 ASN 62 HB3 -0.13 -0.04 -0.01 -0.04 2.79 2.57 2be9A1 ASN 62 HD21 -0.04 -0.09 -0.09 -0.04 7.03 6.78 2be9A1 ASN 62 HD22 -0.09 -0.03 -0.10 -0.04 7.74 7.48 2be9A1 LEU 63 H -0.07 0.33 -0.64 -0.55 8.37 7.45 2be9A1 LEU 63 HA -0.07 0.16 0.60 -0.75 4.35 4.28 2be9A1 LEU 63 HB2 -0.07 0.21 0.10 -0.04 1.64 1.83 2be9A1 LEU 63 HB3 -0.06 -0.17 0.04 -0.04 1.64 1.41 2be9A1 LEU 63 HG -0.03 -0.11 0.01 -0.04 1.64 1.47 2be9A1 LEU 63 HD13 -0.21 0.03 -0.08 -0.04 0.93 0.64 2be9A1 LEU 63 HD23 -0.05 0.04 -0.05 -0.04 0.89 0.78 2be9A1 GLY 64 H -0.04 0.57 -0.28 -0.55 8.43 8.13 2be9A1 GLY 64 HA2 -0.03 0.03 0.27 -0.51 4.01 3.77 2be9A1 GLY 64 HA3 -0.03 -0.01 0.36 -0.51 4.01 3.83 2be9A1 GLY 65 H -0.05 0.31 -0.34 -0.55 8.43 7.81 2be9A1 GLY 65 HA2 -0.06 0.33 0.58 -0.51 4.01 4.35 2be9A1 GLY 65 HA3 -0.07 -0.08 0.19 -0.51 4.01 3.54 2be9A1 ASP 66 H -0.04 0.66 0.38 -0.55 8.40 8.86 2be9A1 ASP 66 HA -0.02 0.10 0.83 -0.75 4.63 4.79 2be9A1 ASP 66 HB2 -0.02 0.01 0.08 -0.04 2.71 2.74 2be9A1 ASP 66 HB3 -0.02 -0.03 0.01 -0.04 2.70 2.62 2be9A1 VAL 67 H -0.02 0.18 0.14 -0.55 8.24 8.00 2be9A1 VAL 67 HA -0.03 0.38 1.04 -0.75 4.13 4.76 2be9A1 VAL 67 HB -0.01 -0.04 0.10 -0.04 2.12 2.13 2be9A1 VAL 67 HG13 -0.04 -0.02 -0.16 -0.04 0.97 0.71 2be9A1 VAL 67 HG23 -0.03 0.02 -0.19 -0.04 0.95 0.70 2be9A1 ILE 68 H -0.02 0.50 0.26 -0.55 8.25 8.45 2be9A1 ILE 68 HA 0.02 0.15 0.60 -0.75 4.18 4.19 2be9A1 ILE 68 HB 0.02 -0.03 0.10 -0.04 1.89 1.94 2be9A1 ILE 68 HG12 0.03 0.06 -0.16 -0.04 1.49 1.37 2be9A1 ILE 68 HG13 0.04 -0.14 -0.17 -0.04 1.21 0.91 2be9A1 ILE 68 HG23 -0.01 0.01 -0.09 -0.04 0.93 0.80 2be9A1 ILE 68 HD13 0.10 0.02 -0.14 -0.04 0.88 0.82 2be9A1 GLY 69 H 0.07 0.32 0.21 -0.55 8.43 8.48 2be9A1 GLY 69 HA2 -0.02 -0.02 0.24 -0.51 4.01 3.70 2be9A1 GLY 69 HA3 -0.02 0.15 0.71 -0.51 4.01 4.34 2be9A1 PHE 70 H -0.34 0.63 0.46 -0.55 8.34 8.53 2be9A1 PHE 70 HA 0.00 0.11 0.67 -0.75 4.62 4.65 2be9A1 PHE 70 HB2 -0.04 0.04 0.03 -0.04 3.15 3.14 2be9A1 PHE 70 HB3 -0.02 0.09 -0.10 -0.04 3.06 2.99 2be9A1 PHE 70 HD2 -0.09 0.08 -0.32 -0.04 7.28 6.90 2be9A1 PHE 70 HE2 -0.64 0.01 -0.18 -0.04 7.38 6.53 2be9A1 PHE 70 HZ -0.89 -0.01 -0.10 -0.04 7.32 6.27 2be9A1 SER 71 H 0.13 0.25 0.12 -0.55 8.46 8.40 2be9A1 SER 71 HA 0.15 0.32 0.83 -0.75 4.49 5.04 2be9A1 SER 71 HB2 -0.14 0.00 -0.05 -0.04 3.95 3.72 2be9A1 SER 71 HB3 -0.08 -0.01 0.12 -0.04 3.93 3.92 2be9A1 GLY 72 H 0.16 0.51 0.10 -0.55 8.43 8.65 2be9A1 GLY 72 HA2 0.07 0.10 0.35 -0.51 4.01 4.02 2be9A1 GLY 72 HA3 0.05 0.07 0.63 -0.51 4.01 4.25 2be9A1 GLU 73 H 0.03 0.07 0.10 -0.55 8.60 8.25 2be9A1 GLU 73 HA 0.02 0.03 0.22 -0.75 4.29 3.81 2be9A1 GLY 81 HA2 0.04 -0.02 0.25 -0.51 4.01 3.77 2be9A1 GLY 81 HA3 0.03 -0.03 0.20 -0.51 4.01 3.69 2be9A1 GLU 82 H 0.04 0.14 0.03 -0.55 8.60 8.27 2be9A1 GLU 82 HA 0.04 0.04 0.68 -0.75 4.29 4.29 2be9A1 GLU 82 HB2 0.04 0.03 0.06 -0.04 2.09 2.18 2be9A1 GLU 82 HB3 0.05 -0.01 0.06 -0.04 1.99 2.05 2be9A1 GLU 82 HG2 0.10 0.09 -0.23 -0.04 2.34 2.25 2be9A1 GLU 82 HG3 0.06 -0.09 -0.04 -0.04 2.34 2.22 2be9A1 ASN 83 H 0.05 0.25 0.19 -0.55 8.53 8.47 2be9A1 ASN 83 HA 0.06 0.03 0.52 -0.75 4.76 4.61 2be9A1 ASN 83 HB2 0.05 0.16 0.18 -0.04 2.88 3.22 2be9A1 ASN 83 HB3 0.07 -0.26 -0.04 -0.04 2.79 2.52 2be9A1 ASN 83 HD21 0.07 0.10 0.02 -0.04 7.03 7.19 2be9A1 ASN 83 HD22 0.05 0.06 0.02 -0.04 7.74 7.83 2be9A1 LEU 84 H 0.07 0.16 0.13 -0.55 8.37 8.19 2be9A1 LEU 84 HA 0.06 0.16 0.52 -0.75 4.35 4.33 2be9A1 LEU 84 HB2 -0.00 0.01 0.15 -0.04 1.64 1.76 2be9A1 LEU 84 HB3 0.18 0.01 0.03 -0.04 1.64 1.83 2be9A1 LEU 84 HG -0.39 -0.01 0.02 -0.04 1.64 1.22 2be9A1 LEU 84 HD13 -0.06 -0.00 -0.03 -0.04 0.93 0.79 2be9A1 LEU 84 HD23 -0.12 0.01 -0.02 -0.04 0.89 0.72 2be9A1 ALA 85 H 0.24 0.09 -0.09 -0.55 8.40 8.09 2be9A1 ALA 85 HA -0.01 0.12 0.32 -0.75 4.34 4.01 2be9A1 ALA 85 HB3 0.19 0.03 0.05 -0.04 1.41 1.64 2be9A1 ASP 86 H 0.07 0.03 -0.30 -0.55 8.40 7.65 2be9A1 ASP 86 HA 0.02 0.08 0.29 -0.75 4.63 4.27 2be9A1 ASP 86 HB2 0.05 0.01 0.03 -0.04 2.71 2.76 2be9A1 ASP 86 HB3 0.04 0.06 -0.04 -0.04 2.70 2.71 2be9A1 THR 87 H 0.11 0.38 -0.38 -0.55 8.28 7.84 2be9A1 THR 87 HA 0.11 0.03 0.44 -0.75 4.39 4.21 2be9A1 THR 87 HB 0.29 0.08 0.13 -0.04 4.32 4.78 2be9A1 THR 87 HG23 0.45 -0.02 -0.09 -0.04 1.22 1.52 2be9A1 ILE 88 H 0.09 0.61 -0.09 -0.55 8.25 8.32 2be9A1 ILE 88 HA 0.10 -0.01 0.35 -0.75 4.18 3.86 2be9A1 ILE 88 HB -0.05 0.09 0.11 -0.04 1.89 1.99 2be9A1 ILE 88 HG12 0.06 0.16 -0.02 -0.04 1.49 1.65 2be9A1 ILE 88 HG13 -0.06 -0.09 -0.02 -0.04 1.21 1.01 2be9A1 ILE 88 HG23 -0.04 0.04 -0.12 -0.04 0.93 0.76 2be9A1 ILE 88 HD13 0.15 -0.02 -0.09 -0.04 0.88 0.87 2be9A1 ARG 89 H -0.00 0.51 -0.15 -0.55 8.46 8.27 2be9A1 ARG 89 HA -0.04 0.06 0.35 -0.75 4.34 3.96 2be9A1 ARG 89 HB2 -0.01 0.05 0.10 -0.04 1.90 2.00 2be9A1 ARG 89 HB3 -0.03 -0.01 -0.02 -0.04 1.80 1.69 2be9A1 ARG 89 HG2 -0.03 0.04 0.00 -0.04 1.67 1.64 2be9A1 ARG 89 HG3 -0.04 0.02 -0.03 -0.04 1.67 1.59 2be9A1 ARG 89 HD2 -0.00 -0.09 -0.13 -0.04 3.22 2.96 2be9A1 ARG 89 HD3 -0.01 0.00 -0.04 -0.04 3.22 3.13 2be9A1 MET 90 H -0.02 0.45 -0.26 -0.55 8.47 8.08 2be9A1 MET 90 HA -0.26 0.01 0.45 -0.75 4.52 3.97 2be9A1 MET 90 HB2 -0.05 -0.03 0.10 -0.04 2.15 2.12 2be9A1 MET 90 HB3 0.00 0.16 0.22 -0.04 2.03 2.37 2be9A1 MET 90 HG2 -0.22 0.00 -0.27 -0.04 2.63 2.09 2be9A1 MET 90 HG3 -0.08 -0.03 -0.01 -0.04 2.56 2.40 2be9A1 MET 90 HE3 0.17 0.03 -0.04 -0.04 2.10 2.22 2be9A1 LEU 91 H 0.01 0.51 -0.09 -0.55 8.37 8.25 2be9A1 LEU 91 HA 0.04 -0.01 0.30 -0.75 4.35 3.93 2be9A1 LEU 91 HB2 0.08 0.08 0.04 -0.04 1.64 1.81 2be9A1 LEU 91 HB3 0.10 -0.03 -0.03 -0.04 1.64 1.64 2be9A1 LEU 91 HG 0.20 0.13 0.01 -0.04 1.64 1.93 2be9A1 LEU 91 HD13 0.24 -0.03 -0.12 -0.04 0.93 0.98 2be9A1 LEU 91 HD23 0.29 -0.02 -0.11 -0.04 0.89 1.02 2be9A1 ASN 92 H -0.04 0.43 -0.30 -0.55 8.53 8.08 2be9A1 ASN 92 HA 0.01 0.09 0.52 -0.75 4.76 4.62 2be9A1 ASN 92 HB2 -0.04 0.17 0.14 -0.04 2.88 3.11 2be9A1 ASN 92 HB3 -0.02 -0.02 0.02 -0.04 2.79 2.73 2be9A1 ASN 92 HD21 0.01 -0.09 -0.07 -0.04 7.03 6.84 2be9A1 ASN 92 HD22 -0.00 0.50 0.03 -0.04 7.74 8.22 2be9A1 ASN 93 H -0.20 0.34 -0.15 -0.55 8.53 7.98 2be9A1 ASN 93 HA -0.04 0.02 0.64 -0.75 4.76 4.63 2be9A1 ASN 93 HB2 -0.64 0.11 0.16 -0.04 2.88 2.47 2be9A1 ASN 93 HB3 -0.06 -0.08 0.02 -0.04 2.79 2.63 2be9A1 ASN 93 HD21 -0.11 -0.08 -0.00 -0.04 7.03 6.80 2be9A1 ASN 93 HD22 -0.29 -0.03 0.07 -0.04 7.74 7.45 2be9A1 TYR 94 H -0.16 0.26 -0.24 -0.55 8.29 7.60 2be9A1 TYR 94 HA 0.02 0.08 0.20 -0.75 4.56 4.10 2be9A1 TYR 94 HB2 0.04 0.01 -0.00 -0.04 3.06 3.07 2be9A1 TYR 94 HB3 0.03 -0.08 0.04 -0.04 2.98 2.93 2be9A1 TYR 94 HD2 0.04 0.00 -0.17 -0.04 7.15 6.98 2be9A1 TYR 94 HE2 0.03 -0.05 -0.06 -0.04 6.85 6.73 2be9A1 SER 95 H 0.08 0.38 -0.14 -0.55 8.46 8.23 2be9A1 SER 95 HA 0.06 0.12 0.92 -0.75 4.49 4.84 2be9A1 SER 95 HB2 0.05 0.03 0.08 -0.04 3.95 4.07 2be9A1 SER 95 HB3 0.10 -0.07 -0.38 -0.04 3.93 3.53 2be9A1 ASP 96 H 0.03 0.91 0.45 -0.55 8.40 9.24 2be9A1 ASP 96 HA 0.07 0.17 0.90 -0.75 4.63 5.02 2be9A1 ASP 96 HB2 -0.03 -0.01 0.06 -0.04 2.71 2.69 2be9A1 ASP 96 HB3 0.08 0.02 0.18 -0.04 2.70 2.94 2be9A1 GLY 97 H 0.06 0.22 0.18 -0.55 8.43 8.35 2be9A1 GLY 97 HA2 0.15 0.20 0.35 -0.51 4.01 4.19 2be9A1 GLY 97 HA3 0.22 0.03 0.36 -0.51 4.01 4.12 2be9A1 ILE 98 H 0.08 0.77 0.27 -0.55 8.25 8.82 2be9A1 ILE 98 HA 0.01 0.30 1.07 -0.75 4.18 4.80 2be9A1 ILE 98 HB 0.06 -0.00 0.08 -0.04 1.89 1.99 2be9A1 ILE 98 HG12 0.07 -0.02 -0.12 -0.04 1.49 1.38 2be9A1 ILE 98 HG13 0.06 -0.00 -0.60 -0.04 1.21 0.63 2be9A1 ILE 98 HG23 0.06 -0.05 -0.26 -0.04 0.93 0.64 2be9A1 ILE 98 HD13 0.06 0.00 -0.17 -0.04 0.88 0.73 2be9A1 VAL 99 H -0.09 0.76 0.33 -0.55 8.24 8.70 2be9A1 VAL 99 HA -0.14 0.18 0.99 -0.75 4.13 4.40 2be9A1 VAL 99 HB -0.32 -0.03 0.16 -0.04 2.12 1.89 2be9A1 VAL 99 HG13 -0.96 -0.02 -0.14 -0.04 0.97 -0.19 2be9A1 VAL 99 HG23 -0.30 0.02 -0.16 -0.04 0.95 0.46 2be9A1 MET 100 H -0.02 0.61 0.27 -0.55 8.47 8.77 2be9A1 MET 100 HA 0.10 0.32 1.18 -0.75 4.52 5.37 2be9A1 MET 100 HB2 0.28 0.01 0.06 -0.04 2.15 2.46 2be9A1 MET 100 HB3 0.19 0.02 -0.05 -0.04 2.03 2.15 2be9A1 MET 100 HG2 0.06 0.06 -0.10 -0.04 2.63 2.60 2be9A1 MET 100 HG3 0.04 -0.12 -0.04 -0.04 2.56 2.40 2be9A1 MET 100 HE3 0.09 -0.01 -0.18 -0.04 2.10 1.95 2be9A1 ARG 101 H -0.17 0.48 0.35 -0.55 8.46 8.57 2be9A1 ARG 101 HA -0.22 0.29 0.69 -0.75 4.34 4.35 2be9A1 ARG 101 HB2 -1.01 0.03 -0.08 -0.04 1.90 0.79 2be9A1 ARG 101 HB3 -1.34 0.01 0.13 -0.04 1.80 0.56 2be9A1 ARG 101 HG2 -0.24 -0.12 -0.28 -0.04 1.67 0.98 2be9A1 ARG 101 HG3 -0.28 0.01 -0.04 -0.04 1.67 1.32 2be9A1 ARG 101 HD2 -0.38 0.01 -0.21 -0.04 3.22 2.59 2be9A1 ARG 101 HD3 -0.14 -0.03 -0.21 -0.04 3.22 2.79 2be9A1 HIS 102 H -0.00 0.75 0.34 -0.55 8.41 8.94 2be9A1 HIS 102 HA 0.01 0.08 0.87 -0.75 4.63 4.84 2be9A1 HIS 102 HB2 -0.04 0.05 -0.23 -0.04 3.26 3.01 2be9A1 HIS 102 HB3 -0.05 -0.06 0.07 -0.04 3.20 3.12 2be9A1 HIS 102 HD2 -1.21 0.08 -0.01 -0.04 6.97 5.78 2be9A1 HIS 102 HE1 -0.12 0.06 0.02 -0.04 7.75 7.67 2be9A1 LYS 103 H -0.37 0.23 0.13 -0.55 8.42 7.86 2be9A1 LYS 103 HA -0.05 0.12 0.56 -0.75 4.32 4.20 2be9A1 LYS 103 HB2 -0.15 0.04 0.14 -0.04 1.87 1.85 2be9A1 LYS 103 HB3 -0.20 0.05 0.10 -0.04 1.79 1.71 2be9A1 LYS 103 HG2 -0.70 -0.06 0.06 -0.04 1.46 0.72 2be9A1 LYS 103 HG3 -0.99 0.00 -0.22 -0.04 1.46 0.21 2be9A1 LYS 103 HD2 -0.25 0.01 -0.00 -0.04 1.69 1.40 2be9A1 LYS 103 HD3 -0.24 0.04 0.02 -0.04 1.68 1.46 2be9A1 LYS 103 HE2 -0.46 0.02 -0.00 -0.04 2.99 2.50 2be9A1 LYS 103 HE3 -0.94 -0.03 -0.03 -0.04 2.99 1.95 2be9A1 TYR 104 H 0.42 0.05 -0.21 -0.55 8.29 8.00 2be9A1 TYR 104 HA 0.05 0.21 0.85 -0.75 4.56 4.91 2be9A1 TYR 104 HB2 -0.07 -0.06 0.04 -0.04 3.06 2.92 2be9A1 TYR 104 HB3 -0.05 0.14 -0.04 -0.04 2.98 3.00 2be9A1 TYR 104 HD2 0.06 0.02 -0.03 -0.04 7.15 7.15 2be9A1 TYR 104 HE2 0.04 0.04 -0.02 -0.04 6.85 6.87 2be9A1 ASP 105 H 0.13 0.21 0.15 -0.55 8.40 8.34 2be9A1 ASP 105 HA 0.08 0.01 0.30 -0.75 4.63 4.26 2be9A1 ASP 105 HB2 -0.03 0.08 0.09 -0.04 2.71 2.82 2be9A1 ASP 105 HB3 -0.08 0.04 0.05 -0.04 2.70 2.67 2be9A1 GLY 106 H 0.04 0.09 0.22 -0.55 8.43 8.24 2be9A1 GLY 106 HA2 -0.03 0.00 0.33 -0.51 4.01 3.81 2be9A1 GLY 106 HA3 -0.08 0.24 0.48 -0.51 4.01 4.15 2be9A1 ALA 107 H 0.01 0.27 -0.07 -0.55 8.40 8.07 2be9A1 ALA 107 HA -0.06 0.12 0.24 -0.75 4.34 3.90 2be9A1 ALA 107 HB3 -0.28 0.02 0.06 -0.04 1.41 1.17 2be9A1 SER 108 H 0.03 0.01 -0.11 -0.55 8.46 7.85 2be9A1 SER 108 HA -0.00 0.15 0.32 -0.75 4.49 4.20 2be9A1 SER 108 HB2 0.05 -0.08 0.07 -0.04 3.95 3.95 2be9A1 SER 108 HB3 0.02 0.11 -0.13 -0.04 3.93 3.90 2be9A1 ARG 109 H 0.05 -0.04 -0.28 -0.55 8.46 7.63 2be9A1 ARG 109 HA -0.02 0.11 0.38 -0.75 4.34 4.05 2be9A1 ARG 109 HB2 0.06 -0.09 0.05 -0.04 1.90 1.88 2be9A1 ARG 109 HB3 0.04 0.08 0.07 -0.04 1.80 1.95 2be9A1 ARG 109 HG2 0.02 0.07 -0.16 -0.04 1.67 1.55 2be9A1 ARG 109 HG3 0.02 0.01 -0.01 -0.04 1.67 1.65 2be9A1 ARG 109 HD2 0.03 -0.08 -0.02 -0.04 3.22 3.11 2be9A1 ARG 109 HD3 0.02 0.03 -0.06 -0.04 3.22 3.17 2be9A1 PHE 110 H 0.12 0.46 -0.18 -0.55 8.34 8.19 2be9A1 PHE 110 HA -0.07 0.08 0.36 -0.75 4.62 4.24 2be9A1 PHE 110 HB2 -0.08 0.01 0.07 -0.04 3.15 3.11 2be9A1 PHE 110 HB3 -0.10 0.03 0.11 -0.04 3.06 3.06 2be9A1 PHE 110 HD2 -0.08 0.01 -0.05 -0.04 7.28 7.12 2be9A1 PHE 110 HE2 -0.05 -0.09 -0.03 -0.04 7.38 7.16 2be9A1 PHE 110 HZ -0.04 -0.01 -0.01 -0.04 7.32 7.22 2be9A1 ALA 111 H -0.03 0.56 -0.13 -0.55 8.40 8.26 2be9A1 ALA 111 HA -0.30 -0.03 0.35 -0.75 4.34 3.61 2be9A1 ALA 111 HB3 -0.05 0.01 0.06 -0.04 1.41 1.38 2be9A1 SER 112 H -0.18 0.54 -0.23 -0.55 8.46 8.04 2be9A1 SER 112 HA -0.43 0.08 0.32 -0.75 4.49 3.70 2be9A1 SER 112 HB2 -1.48 -0.02 0.12 -0.04 3.95 2.52 2be9A1 SER 112 HB3 -0.32 -0.05 0.09 -0.04 3.93 3.61 2be9A1 GLU 113 H -0.26 0.27 -0.55 -0.55 8.60 7.51 2be9A1 GLU 113 HA -0.14 0.12 0.65 -0.75 4.29 4.17 2be9A1 GLU 113 HB2 -0.19 0.08 0.14 -0.04 2.09 2.08 2be9A1 GLU 113 HB3 -0.09 -0.06 0.01 -0.04 1.99 1.81 2be9A1 GLU 113 HG2 -0.04 -0.01 -0.00 -0.04 2.34 2.24 2be9A1 GLU 113 HG3 -0.09 0.08 -0.04 -0.04 2.34 2.25 2be9A1 ILE 114 H -0.38 0.33 -0.03 -0.55 8.25 7.63 2be9A1 ILE 114 HA -0.18 0.04 0.57 -0.75 4.18 3.85 2be9A1 ILE 114 HB -0.31 0.09 0.10 -0.04 1.89 1.73 2be9A1 ILE 114 HG12 -1.06 0.20 0.02 -0.04 1.49 0.61 2be9A1 ILE 114 HG13 -0.73 -0.20 -0.01 -0.04 1.21 0.23 2be9A1 ILE 114 HG23 -0.12 -0.02 -0.06 -0.04 0.93 0.69 2be9A1 ILE 114 HD13 -0.21 -0.00 -0.04 -0.04 0.88 0.58 2be9A1 SER 115 H -0.16 0.22 -0.33 -0.55 8.46 7.64 2be9A1 SER 115 HA -0.04 -0.03 0.19 -0.75 4.49 3.86 2be9A1 SER 115 HB2 -0.05 -0.11 -0.08 -0.04 3.95 3.67 2be9A1 SER 115 HB3 -0.05 0.02 -0.05 -0.04 3.93 3.81 2be9A1 ASP 116 H 0.01 0.03 0.13 -0.55 8.40 8.02 2be9A1 ASP 116 HA 0.04 0.19 0.84 -0.75 4.63 4.94 2be9A1 ASP 116 HB2 0.01 -0.03 0.13 -0.04 2.71 2.78 2be9A1 ASP 116 HB3 0.01 0.01 0.03 -0.04 2.70 2.71 2be9A1 ILE 117 H 0.04 -0.05 0.02 -0.55 8.25 7.71 2be9A1 ILE 117 HA 0.03 0.18 0.48 -0.75 4.18 4.12 2be9A1 ILE 117 HB 0.09 0.15 -0.40 -0.04 1.89 1.70 2be9A1 ILE 117 HG12 0.04 -0.15 -0.06 -0.04 1.49 1.28 2be9A1 ILE 117 HG13 0.07 -0.00 -0.38 -0.04 1.21 0.86 2be9A1 ILE 117 HG23 0.05 0.06 0.06 -0.04 0.93 1.06 2be9A1 ILE 117 HD13 0.06 0.02 -0.39 -0.04 0.88 0.52 2be9A1 PRO 118 HA -0.14 -0.00 0.35 -0.51 4.44 4.13 2be9A1 PRO 118 HB2 0.02 -0.11 0.03 -0.04 2.28 2.17 2be9A1 PRO 118 HB3 -0.17 0.24 -0.01 -0.04 2.02 2.04 2be9A1 PRO 118 HG2 -0.45 0.08 0.09 -0.04 2.03 1.72 2be9A1 PRO 118 HG3 -0.29 0.06 0.08 -0.04 2.03 1.85 2be9A1 PRO 118 HD2 0.10 0.34 0.28 -0.04 3.68 4.36 2be9A1 PRO 118 HD3 -0.04 0.16 0.23 -0.04 3.65 3.95 2be9A1 VAL 119 H 0.68 0.14 0.18 -0.55 8.24 8.69 2be9A1 VAL 119 HA 0.09 0.25 0.94 -0.75 4.13 4.66 2be9A1 VAL 119 HB 0.01 -0.05 0.08 -0.04 2.12 2.12 2be9A1 VAL 119 HG13 0.01 -0.05 -0.23 -0.04 0.97 0.66 2be9A1 VAL 119 HG23 0.02 0.04 -0.27 -0.04 0.95 0.70 2be9A1 ILE 120 H 0.02 0.79 0.36 -0.55 8.25 8.88 2be9A1 ILE 120 HA 0.07 0.06 0.98 -0.75 4.18 4.54 2be9A1 ILE 120 HB -0.10 0.01 0.21 -0.04 1.89 1.98 2be9A1 ILE 120 HG12 0.11 -0.00 -0.06 -0.04 1.49 1.50 2be9A1 ILE 120 HG13 0.07 0.03 -0.30 -0.04 1.21 0.97 2be9A1 ILE 120 HG23 0.06 -0.03 -0.23 -0.04 0.93 0.69 2be9A1 ILE 120 HD13 0.16 0.02 -0.14 -0.04 0.88 0.87 2be9A1 ASN 121 H 0.07 0.84 0.28 -0.55 8.53 9.17 2be9A1 ASN 121 HA 0.01 0.11 0.72 -0.75 4.76 4.85 2be9A1 ASN 121 HB2 0.05 -0.02 0.20 -0.04 2.88 3.06 2be9A1 ASN 121 HB3 0.08 0.06 0.28 -0.04 2.79 3.16 2be9A1 ASN 121 HD21 0.05 -0.16 0.03 -0.04 7.03 6.91 2be9A1 ASN 121 HD22 0.05 0.48 0.13 -0.04 7.74 8.35 2be9A1 ALA 122 H -0.08 0.97 0.37 -0.55 8.40 9.12 2be9A1 ALA 122 HA 0.12 0.06 0.73 -0.75 4.34 4.50 2be9A1 ALA 122 HB3 -0.02 0.01 -0.09 -0.04 1.41 1.27 2be9A1 GLY 123 H -0.09 -0.01 -0.33 -0.55 8.43 7.46 2be9A1 GLY 123 HA2 -0.16 0.25 0.47 -0.51 4.01 4.06 2be9A1 GLY 123 HA3 -0.27 0.19 0.85 -0.51 4.01 4.27 2be9A1 ASP 124 H 0.02 0.38 0.17 -0.55 8.40 8.42 2be9A1 ASP 124 HA 0.05 0.29 0.92 -0.75 4.63 5.13 2be9A1 ASP 124 HB2 0.09 -0.07 0.24 -0.04 2.71 2.92 2be9A1 ASP 124 HB3 0.06 0.04 0.03 -0.04 2.70 2.79 2be9A1 GLY 125 H 0.06 0.78 0.06 -0.55 8.43 8.78 2be9A1 GLY 125 HA2 0.05 0.20 0.29 -0.51 4.01 4.03 2be9A1 GLY 125 HA3 0.10 -0.10 0.23 -0.51 4.01 3.73 2be9A1 LYS 126 H 0.11 0.11 0.22 -0.55 8.42 8.31 2be9A1 LYS 126 HA 0.10 0.15 0.78 -0.75 4.32 4.59 2be9A1 LYS 126 HB2 0.16 0.00 0.11 -0.04 1.87 2.09 2be9A1 LYS 126 HB3 0.18 0.03 0.15 -0.04 1.79 2.10 2be9A1 LYS 126 HG2 0.10 -0.05 0.00 -0.04 1.46 1.47 2be9A1 LYS 126 HG3 0.16 0.02 0.06 -0.04 1.46 1.66 2be9A1 LYS 126 HD2 0.10 0.17 0.07 -0.04 1.69 1.99 2be9A1 LYS 126 HD3 0.07 0.11 -0.52 -0.04 1.68 1.31 2be9A1 LYS 126 HE2 0.02 0.01 -0.04 -0.04 2.99 2.94 2be9A1 LYS 126 HE3 0.03 -0.02 -0.03 -0.04 2.99 2.92 2be9A1 HIS 127 H 0.18 0.48 0.02 -0.55 8.41 8.54 2be9A1 HIS 127 HA 0.04 0.14 0.53 -0.75 4.63 4.58 2be9A1 HIS 127 HB2 0.04 -0.10 0.18 -0.04 3.26 3.34 2be9A1 HIS 127 HB3 0.04 0.05 0.36 -0.04 3.20 3.60 2be9A1 HIS 127 HD2 0.03 0.05 0.00 -0.04 6.97 7.01 2be9A1 HIS 127 HE1 0.04 0.02 -0.03 -0.04 7.75 7.74 2be9A1 GLU 128 H -0.00 0.13 0.22 -0.55 8.60 8.40 2be9A1 GLU 128 HA -0.08 0.30 0.84 -0.75 4.29 4.60 2be9A1 GLU 128 HB2 -0.32 0.01 0.09 -0.04 2.09 1.84 2be9A1 GLU 128 HB3 -0.10 -0.06 0.11 -0.04 1.99 1.89 2be9A1 GLU 128 HG2 -0.28 0.19 -0.06 -0.04 2.34 2.15 2be9A1 GLU 128 HG3 -0.95 -0.01 -0.19 -0.04 2.34 1.15 2be9A1 HIS 129 H 0.08 0.18 -0.08 -0.55 8.41 8.05 2be9A1 HIS 129 HA 0.05 0.16 0.40 -0.75 4.63 4.49 2be9A1 HIS 129 HB2 0.04 0.01 -0.40 -0.04 3.26 2.87 2be9A1 HIS 129 HB3 0.05 -0.03 -0.04 -0.04 3.20 3.13 2be9A1 HIS 129 HD2 0.06 -0.01 -0.05 -0.04 6.97 6.92 2be9A1 HIS 129 HE1 0.19 0.04 -0.05 -0.04 7.75 7.88 2be9A1 PRO 130 HA 0.11 0.02 0.09 -0.51 4.44 4.15 2be9A1 PRO 130 HB2 0.34 0.17 -0.33 -0.04 2.28 2.42 2be9A1 PRO 130 HB3 0.15 -0.16 -0.40 -0.04 2.02 1.58 2be9A1 PRO 130 HG2 0.17 0.22 -0.19 -0.04 2.03 2.19 2be9A1 PRO 130 HG3 0.09 0.16 -0.51 -0.04 2.03 1.73 2be9A1 PRO 130 HD2 0.18 0.51 0.04 -0.04 3.68 4.36 2be9A1 PRO 130 HD3 0.08 0.01 -0.17 -0.04 3.65 3.54 2be9A1 THR 131 H 0.31 0.25 -0.17 -0.55 8.28 8.12 2be9A1 THR 131 HA 0.15 0.14 0.42 -0.75 4.39 4.34 2be9A1 THR 131 HB 0.17 0.07 -0.02 -0.04 4.32 4.50 2be9A1 THR 131 HG23 0.41 0.04 -0.07 -0.04 1.22 1.56 2be9A1 GLN 132 H 0.03 0.18 -0.22 -0.55 8.47 7.91 2be9A1 GLN 132 HA -0.09 0.10 0.55 -0.75 4.36 4.16 2be9A1 GLN 132 HB2 -1.18 -0.02 0.07 -0.04 2.15 0.98 2be9A1 GLN 132 HB3 -0.33 0.14 0.07 -0.04 2.02 1.85 2be9A1 GLN 132 HG2 -0.26 -0.02 -0.02 -0.04 2.40 2.07 2be9A1 GLN 132 HG3 -0.05 -0.01 -0.15 -0.04 2.39 2.13 2be9A1 GLN 132 HE21 0.02 0.06 -0.05 -0.04 6.97 6.96 2be9A1 GLN 132 HE22 0.04 -0.02 -0.05 -0.04 7.69 7.62 2be9A1 ALA 133 H 0.01 0.27 -0.31 -0.55 8.40 7.82 2be9A1 ALA 133 HA -0.02 0.03 0.24 -0.75 4.34 3.83 2be9A1 ALA 133 HB3 -0.01 0.03 -0.13 -0.04 1.41 1.26 2be9A1 VAL 134 H -0.02 0.31 -0.23 -0.55 8.24 7.75 2be9A1 VAL 134 HA -0.01 0.06 0.41 -0.75 4.13 3.84 2be9A1 VAL 134 HB -0.06 0.14 0.06 -0.04 2.12 2.22 2be9A1 VAL 134 HG13 -0.09 0.01 -0.09 -0.04 0.97 0.76 2be9A1 VAL 134 HG23 -0.56 0.06 0.01 -0.04 0.95 0.42 2be9A1 ILE 135 H 0.03 0.32 -0.38 -0.55 8.25 7.68 2be9A1 ILE 135 HA 0.11 0.07 0.28 -0.75 4.18 3.89 2be9A1 ILE 135 HB 0.04 0.04 0.14 -0.04 1.89 2.08 2be9A1 ILE 135 HG12 0.02 0.03 -0.09 -0.04 1.49 1.42 2be9A1 ILE 135 HG13 0.02 0.21 0.07 -0.04 1.21 1.47 2be9A1 ILE 135 HG23 0.13 -0.03 -0.15 -0.04 0.93 0.84 2be9A1 ILE 135 HD13 -0.02 -0.05 -0.05 -0.04 0.88 0.71 2be9A1 ASP 136 H 0.07 0.60 -0.14 -0.55 8.40 8.38 2be9A1 ASP 136 HA 0.15 -0.01 0.34 -0.75 4.63 4.35 2be9A1 ASP 136 HB2 0.02 0.09 0.12 -0.04 2.71 2.90 2be9A1 ASP 136 HB3 0.13 -0.04 -0.04 -0.04 2.70 2.70 2be9A1 ILE 137 H 0.04 0.68 -0.11 -0.55 8.25 8.31 2be9A1 ILE 137 HA -0.03 0.01 0.32 -0.75 4.18 3.72 2be9A1 ILE 137 HB -0.13 -0.04 -0.01 -0.04 1.89 1.67 2be9A1 ILE 137 HG12 0.09 0.23 0.08 -0.04 1.49 1.85 2be9A1 ILE 137 HG13 0.34 0.06 -0.13 -0.04 1.21 1.44 2be9A1 ILE 137 HG23 -0.08 0.01 -0.07 -0.04 0.93 0.75 2be9A1 ILE 137 HD13 0.18 -0.02 -0.12 -0.04 0.88 0.88 2be9A1 TYR 138 H 0.10 0.54 -0.31 -0.55 8.29 8.07 2be9A1 TYR 138 HA -1.16 0.01 0.42 -0.75 4.56 3.07 2be9A1 TYR 138 HB2 -0.01 -0.00 0.04 -0.04 3.06 3.05 2be9A1 TYR 138 HB3 -0.08 0.10 0.09 -0.04 2.98 3.06 2be9A1 TYR 138 HD2 -0.28 -0.01 -0.10 -0.04 7.15 6.72 2be9A1 TYR 138 HE2 -0.83 0.07 -0.04 -0.04 6.85 6.02 2be9A1 THR 139 H 0.03 0.47 -0.29 -0.55 8.28 7.94 2be9A1 THR 139 HA -0.18 0.05 0.32 -0.75 4.39 3.82 2be9A1 THR 139 HB 0.09 0.12 0.13 -0.04 4.32 4.61 2be9A1 THR 139 HG23 0.16 -0.02 -0.12 -0.04 1.22 1.20 2be9A1 ILE 140 H -0.04 0.41 -0.11 -0.55 8.25 7.96 2be9A1 ILE 140 HA 0.11 0.04 0.41 -0.75 4.18 3.98 2be9A1 ILE 140 HB -0.01 0.05 0.11 -0.04 1.89 2.00 2be9A1 ILE 140 HG12 0.12 -0.02 -0.05 -0.04 1.49 1.50 2be9A1 ILE 140 HG13 0.10 0.07 0.01 -0.04 1.21 1.34 2be9A1 ILE 140 HG23 0.06 0.02 -0.10 -0.04 0.93 0.87 2be9A1 ILE 140 HD13 0.24 -0.04 -0.17 -0.04 0.88 0.87 2be9A1 ASN 141 H -0.31 0.61 -0.21 -0.55 8.53 8.07 2be9A1 ASN 141 HA -0.12 0.10 0.26 -0.75 4.76 4.24 2be9A1 ASN 141 HB2 -0.42 0.02 -0.03 -0.04 2.88 2.41 2be9A1 ASN 141 HB3 -0.85 0.08 0.02 -0.04 2.79 2.00 2be9A1 ASN 141 HD21 0.03 -0.01 -0.16 -0.04 7.03 6.84 2be9A1 ASN 141 HD22 -0.37 0.06 -0.23 -0.04 7.74 7.15 2be9A1 LYS 142 H -0.57 0.55 -0.26 -0.55 8.42 7.59 2be9A1 LYS 142 HA -0.35 0.01 0.49 -0.75 4.32 3.71 2be9A1 LYS 142 HB2 -0.99 -0.01 0.09 -0.04 1.87 0.92 2be9A1 LYS 142 HB3 -0.47 0.12 0.15 -0.04 1.79 1.55 2be9A1 LYS 142 HG2 -0.17 0.00 -0.16 -0.04 1.46 1.10 2be9A1 LYS 142 HG3 -0.23 -0.02 0.03 -0.04 1.46 1.20 2be9A1 LYS 142 HD2 -0.24 -0.02 -0.02 -0.04 1.69 1.37 2be9A1 LYS 142 HD3 -0.53 -0.01 -0.04 -0.04 1.68 1.05 2be9A1 LYS 142 HE2 0.10 -0.02 -0.04 -0.04 2.99 2.98 2be9A1 LYS 142 HE3 -0.04 0.01 -0.04 -0.04 2.99 2.88 2be9A1 HIS 143 H -0.10 0.36 -0.24 -0.55 8.41 7.89 2be9A1 HIS 143 HA -0.24 0.04 0.32 -0.75 4.63 3.99 2be9A1 HIS 143 HB2 -0.24 -0.03 0.09 -0.04 3.26 3.05 2be9A1 HIS 143 HB3 -0.40 0.02 0.15 -0.04 3.20 2.93 2be9A1 HIS 143 HD2 -2.73 -0.04 -0.11 -0.04 6.97 4.05 2be9A1 HIS 143 HE1 -0.21 -0.04 -0.02 -0.04 7.75 7.43 2be9A1 PHE 144 H 0.06 0.53 0.02 -0.55 8.34 8.40 2be9A1 PHE 144 HA -0.17 0.15 0.65 -0.75 4.62 4.50 2be9A1 PHE 144 HB2 -0.08 0.22 0.12 -0.04 3.15 3.36 2be9A1 PHE 144 HB3 -0.07 -0.07 0.09 -0.04 3.06 2.96 2be9A1 PHE 144 HD2 -0.04 0.07 0.05 -0.04 7.28 7.32 2be9A1 PHE 144 HE2 -0.03 -0.07 -0.06 -0.04 7.38 7.18 2be9A1 PHE 144 HZ -0.02 0.10 0.11 -0.04 7.32 7.47 2be9A1 ASN 145 H -0.08 0.36 -0.37 -0.55 8.53 7.89 2be9A1 ASN 145 HA -0.05 0.15 0.32 -0.75 4.76 4.42 2be9A1 ASN 145 HB2 -0.03 0.09 -0.22 -0.04 2.88 2.69 2be9A1 ASN 145 HB3 -0.01 -0.10 0.24 -0.04 2.79 2.88 2be9A1 ASN 145 HD21 -0.08 -0.04 -0.01 -0.04 7.03 6.85 2be9A1 ASN 145 HD22 -0.10 0.04 -0.16 -0.04 7.74 7.48 2be9A1 THR 146 H 0.05 0.24 -0.38 -0.55 8.28 7.64 2be9A1 THR 146 HA 0.04 -0.01 0.47 -0.75 4.39 4.14 2be9A1 THR 146 HB 0.03 0.15 -0.21 -0.04 4.32 4.25 2be9A1 THR 146 HG23 -0.00 0.05 -0.25 -0.04 1.22 0.99 2be9A1 ILE 147 H 0.04 -0.06 0.16 -0.55 8.25 7.83 2be9A1 ILE 147 HA -0.07 0.19 0.60 -0.75 4.18 4.15 2be9A1 ILE 147 HB -0.43 -0.04 0.04 -0.04 1.89 1.42 2be9A1 ILE 147 HG12 -0.20 -0.02 -0.04 -0.04 1.49 1.18 2be9A1 ILE 147 HG13 -0.17 0.07 -0.42 -0.04 1.21 0.66 2be9A1 ILE 147 HG23 -0.28 -0.01 -0.15 -0.04 0.93 0.45 2be9A1 ILE 147 HD13 -0.52 0.03 -0.12 -0.04 0.88 0.23 2be9A1 ASP 148 H 0.12 -0.06 0.15 -0.55 8.40 8.06 2be9A1 ASP 148 HA 0.10 -0.01 0.30 -0.75 4.63 4.26 2be9A1 ASP 148 HB2 0.08 -0.00 0.12 -0.04 2.71 2.87 2be9A1 ASP 148 HB3 0.06 0.13 0.06 -0.04 2.70 2.91 2be9A1 GLY 149 H 0.03 0.83 0.38 -0.55 8.43 9.13 2be9A1 GLY 149 HA2 -0.01 0.03 0.38 -0.51 4.01 3.91 2be9A1 GLY 149 HA3 -0.02 0.08 0.29 -0.51 4.01 3.85 2be9A1 LEU 150 H -0.05 0.32 -0.39 -0.55 8.37 7.71 2be9A1 LEU 150 HA -0.29 0.14 0.59 -0.75 4.35 4.04 2be9A1 LEU 150 HB2 -0.42 0.02 -0.01 -0.04 1.64 1.19 2be9A1 LEU 150 HB3 -0.82 -0.07 0.01 -0.04 1.64 0.72 2be9A1 LEU 150 HG -0.24 0.11 -0.37 -0.04 1.64 1.10 2be9A1 LEU 150 HD13 -0.42 0.03 -0.08 -0.04 0.93 0.42 2be9A1 LEU 150 HD23 -0.71 0.01 -0.10 -0.04 0.89 0.05 2be9A1 VAL 151 H -0.32 0.17 0.26 -0.55 8.24 7.80 2be9A1 VAL 151 HA -0.02 0.24 1.10 -0.75 4.13 4.69 2be9A1 VAL 151 HB -0.07 0.06 0.25 -0.04 2.12 2.32 2be9A1 VAL 151 HG13 0.07 -0.02 -0.21 -0.04 0.97 0.78 2be9A1 VAL 151 HG23 -0.04 0.01 -0.04 -0.04 0.95 0.84 2be9A1 PHE 152 H 0.22 0.80 0.43 -0.55 8.34 9.23 2be9A1 PHE 152 HA -0.01 0.19 0.92 -0.75 4.62 4.97 2be9A1 PHE 152 HB2 -0.07 -0.02 0.16 -0.04 3.15 3.17 2be9A1 PHE 152 HB3 -0.03 -0.03 0.01 -0.04 3.06 2.97 2be9A1 PHE 152 HD2 -0.12 0.07 -0.10 -0.04 7.28 7.09 2be9A1 PHE 152 HE2 -0.16 0.01 -0.09 -0.04 7.38 7.10 2be9A1 PHE 152 HZ -0.20 0.03 -0.07 -0.04 7.32 7.05 2be9A1 ALA 153 H 0.18 0.70 0.39 -0.55 8.40 9.13 2be9A1 ALA 153 HA 0.23 0.20 0.56 -0.75 4.34 4.57 2be9A1 ALA 153 HB3 0.13 0.01 0.01 -0.04 1.41 1.51 2be9A1 LEU 154 H 0.16 0.68 0.25 -0.55 8.37 8.91 2be9A1 LEU 154 HA 0.21 0.26 0.95 -0.75 4.35 5.02 2be9A1 LEU 154 HB2 0.10 0.06 0.19 -0.04 1.64 1.95 2be9A1 LEU 154 HB3 0.11 -0.04 -0.06 -0.04 1.64 1.62 2be9A1 LEU 154 HG 0.05 -0.02 -0.04 -0.04 1.64 1.59 2be9A1 LEU 154 HD13 0.04 0.02 -0.20 -0.04 0.93 0.75 2be9A1 LEU 154 HD23 -0.03 -0.00 -0.07 -0.04 0.89 0.75 2be9A1 LEU 155 H 0.17 0.70 0.38 -0.55 8.37 9.07 2be9A1 LEU 155 HA 0.16 0.44 1.05 -0.75 4.35 5.24 2be9A1 LEU 155 HB2 0.09 -0.03 -0.20 -0.04 1.64 1.46 2be9A1 LEU 155 HB3 0.09 -0.03 0.01 -0.04 1.64 1.67 2be9A1 LEU 155 HG 0.16 0.05 -0.25 -0.04 1.64 1.56 2be9A1 LEU 155 HD13 0.20 0.02 0.04 -0.04 0.93 1.16 2be9A1 LEU 155 HD23 0.01 -0.03 -0.21 -0.04 0.89 0.62 2be9A1 GLY 156 H 0.15 0.56 0.33 -0.55 8.43 8.92 2be9A1 GLY 156 HA2 0.09 -0.02 0.36 -0.51 4.01 3.93 2be9A1 GLY 156 HA3 0.10 0.28 1.01 -0.51 4.01 4.89 2be9A1 ASP 157 H 0.07 0.20 -0.14 -0.55 8.40 7.98 2be9A1 ASP 157 HA 0.01 0.12 0.82 -0.75 4.63 4.83 2be9A1 ASP 157 HB2 0.08 -0.01 0.10 -0.04 2.71 2.84 2be9A1 ASP 157 HB3 0.08 0.11 0.12 -0.04 2.70 2.97 2be9A1 LEU 158 H -0.01 0.55 0.20 -0.55 8.37 8.57 2be9A1 LEU 158 HA 0.03 0.14 0.72 -0.75 4.35 4.48 2be9A1 LEU 158 HB2 -0.00 0.05 0.01 -0.04 1.64 1.66 2be9A1 LEU 158 HB3 0.02 -0.04 0.05 -0.04 1.64 1.62 2be9A1 LEU 158 HG 0.03 0.13 -0.36 -0.04 1.64 1.41 2be9A1 LEU 158 HD13 0.06 0.03 -0.27 -0.04 0.93 0.71 2be9A1 LEU 158 HD23 0.09 0.01 -0.58 -0.04 0.89 0.36 2be9A1 LYS 159 H -0.06 -0.07 -0.15 -0.55 8.42 7.59 2be9A1 LYS 159 HA -0.19 0.20 0.75 -0.75 4.32 4.32 2be9A1 LYS 159 HB2 -0.22 -0.02 -0.30 -0.04 1.87 1.29 2be9A1 LYS 159 HB3 -0.58 -0.07 0.01 -0.04 1.79 1.11 2be9A1 LYS 159 HG2 -0.76 -0.08 -0.06 -0.04 1.46 0.53 2be9A1 LYS 159 HG3 -0.28 0.15 -0.01 -0.04 1.46 1.28 2be9A1 LYS 159 HD2 -0.20 0.17 0.08 -0.04 1.69 1.71 2be9A1 LYS 159 HD3 -0.55 -0.06 0.01 -0.04 1.68 1.04 2be9A1 LYS 159 HE2 -0.25 -0.07 0.00 -0.04 2.99 2.63 2be9A1 LYS 159 HE3 -0.14 -0.02 0.01 -0.04 2.99 2.80 2be9A1 TYR 160 H 0.03 0.01 -0.05 -0.55 8.29 7.73 2be9A1 TYR 160 HA 0.02 0.29 0.77 -0.75 4.56 4.89 2be9A1 TYR 160 HB2 0.00 -0.02 0.06 -0.04 3.06 3.07 2be9A1 TYR 160 HB3 0.01 0.01 0.19 -0.04 2.98 3.15 2be9A1 TYR 160 HD2 -0.01 -0.03 -0.00 -0.04 7.15 7.06 2be9A1 TYR 160 HE2 -0.04 0.03 -0.02 -0.04 6.85 6.78 2be9A1 ALA 161 H 0.04 0.16 -0.48 -0.55 8.40 7.58 2be9A1 ALA 161 HA 0.09 0.20 0.90 -0.75 4.34 4.79 2be9A1 ALA 161 HB3 0.08 0.02 0.06 -0.04 1.41 1.53 2be9A1 ARG 162 H 0.09 0.30 -0.03 -0.55 8.46 8.27 2be9A1 ARG 162 HA 0.04 0.34 0.10 -0.75 4.34 4.07 2be9A1 ARG 162 HB2 0.06 -0.23 -0.61 -0.04 1.90 1.09 2be9A1 ARG 162 HB3 0.08 0.01 -0.57 -0.04 1.80 1.27 2be9A1 ARG 162 HG2 0.10 -0.02 -0.02 -0.04 1.67 1.69 2be9A1 ARG 162 HG3 0.18 -0.03 -0.30 -0.04 1.67 1.47 2be9A1 ARG 162 HD2 -0.00 0.02 -0.11 -0.04 3.22 3.09 2be9A1 ARG 162 HD3 0.05 0.23 -0.20 -0.04 3.22 3.25 2be9A1 THR 163 H 0.10 0.13 -0.40 -0.55 8.28 7.56 2be9A1 THR 163 HA 0.06 0.03 0.34 -0.75 4.39 4.07 2be9A1 THR 163 HB 0.13 0.05 -0.05 -0.04 4.32 4.41 2be9A1 THR 163 HG23 0.04 0.02 -0.02 -0.04 1.22 1.22 2be9A1 VAL 164 H 0.07 0.19 -0.20 -0.55 8.24 7.75 2be9A1 VAL 164 HA -0.05 0.06 0.38 -0.75 4.13 3.76 2be9A1 VAL 164 HB 0.03 0.12 0.10 -0.04 2.12 2.33 2be9A1 VAL 164 HG13 0.00 0.00 -0.15 -0.04 0.97 0.78 2be9A1 VAL 164 HG23 0.12 0.01 -0.03 -0.04 0.95 1.01 2be9A1 ASN 165 H 0.00 0.48 -0.15 -0.55 8.53 8.32 2be9A1 ASN 165 HA -0.03 0.04 0.40 -0.75 4.76 4.41 2be9A1 ASN 165 HB2 -0.03 0.11 0.25 -0.04 2.88 3.17 2be9A1 ASN 165 HB3 -0.05 -0.06 0.07 -0.04 2.79 2.71 2be9A1 ASN 165 HD21 0.03 -0.01 -0.03 -0.04 7.03 6.98 2be9A1 ASN 165 HD22 0.04 0.44 0.20 -0.04 7.74 8.38 2be9A1 SER 166 H -0.03 0.67 -0.09 -0.55 8.46 8.47 2be9A1 SER 166 HA -0.10 -0.05 0.39 -0.75 4.49 3.97 2be9A1 SER 166 HB2 0.01 0.18 0.07 -0.04 3.95 4.16 2be9A1 SER 166 HB3 0.00 0.00 -0.11 -0.04 3.93 3.78 2be9A1 LEU 167 H -0.09 0.55 -0.27 -0.55 8.37 8.02 2be9A1 LEU 167 HA -0.13 -0.01 0.42 -0.75 4.35 3.88 2be9A1 LEU 167 HB2 -0.28 0.18 0.12 -0.04 1.64 1.63 2be9A1 LEU 167 HB3 -0.28 0.06 0.05 -0.04 1.64 1.44 2be9A1 LEU 167 HG -0.41 -0.05 -0.05 -0.04 1.64 1.09 2be9A1 LEU 167 HD13 -0.84 -0.00 -0.13 -0.04 0.93 -0.09 2be9A1 LEU 167 HD23 -0.24 0.00 -0.08 -0.04 0.89 0.53 2be9A1 LEU 168 H -0.09 0.75 -0.03 -0.55 8.37 8.45 2be9A1 LEU 168 HA -0.01 0.02 0.34 -0.75 4.35 3.95 2be9A1 LEU 168 HB2 -0.03 0.06 0.11 -0.04 1.64 1.74 2be9A1 LEU 168 HB3 0.03 0.00 -0.06 -0.04 1.64 1.57 2be9A1 LEU 168 HG -0.05 0.04 0.02 -0.04 1.64 1.61 2be9A1 LEU 168 HD13 -0.01 -0.03 -0.10 -0.04 0.93 0.75 2be9A1 LEU 168 HD23 0.04 -0.00 -0.07 -0.04 0.89 0.82 2be9A1 ARG 169 H -0.10 0.48 -0.22 -0.55 8.46 8.06 2be9A1 ARG 169 HA -0.05 0.11 0.35 -0.75 4.34 3.99 2be9A1 ARG 169 HB2 -0.36 -0.04 0.09 -0.04 1.90 1.56 2be9A1 ARG 169 HB3 -1.17 -0.05 -0.02 -0.04 1.80 0.51 2be9A1 ARG 169 HG2 -0.10 0.06 -0.02 -0.04 1.67 1.56 2be9A1 ARG 169 HG3 -0.13 0.16 0.05 -0.04 1.67 1.70 2be9A1 ARG 169 HD2 -0.24 -0.10 -0.06 -0.04 3.22 2.78 2be9A1 ARG 169 HD3 -0.58 -0.05 -0.02 -0.04 3.22 2.52 2be9A1 ILE 170 H -0.06 0.45 -0.21 -0.55 8.25 7.87 2be9A1 ILE 170 HA 0.07 0.10 0.28 -0.75 4.18 3.87 2be9A1 ILE 170 HB -0.00 0.06 0.11 -0.04 1.89 2.03 2be9A1 ILE 170 HG12 0.16 0.01 -0.01 -0.04 1.49 1.60 2be9A1 ILE 170 HG13 0.13 0.07 0.02 -0.04 1.21 1.40 2be9A1 ILE 170 HG23 -0.00 0.04 -0.15 -0.04 0.93 0.78 2be9A1 ILE 170 HD13 -0.06 -0.01 -0.18 -0.04 0.88 0.59 2be9A1 LEU 171 H 0.02 0.41 -0.37 -0.55 8.37 7.89 2be9A1 LEU 171 HA 0.08 -0.01 0.32 -0.75 4.35 3.98 2be9A1 LEU 171 HB2 -0.10 0.20 0.10 -0.04 1.64 1.79 2be9A1 LEU 171 HB3 -0.39 0.02 -0.11 -0.04 1.64 1.12 2be9A1 LEU 171 HG -0.78 -0.02 -0.07 -0.04 1.64 0.73 2be9A1 LEU 171 HD13 -0.37 -0.01 -0.09 -0.04 0.93 0.42 2be9A1 LEU 171 HD23 -0.76 0.00 -0.14 -0.04 0.89 -0.06 2be9A1 THR 172 H 0.23 0.31 -0.46 -0.55 8.28 7.81 2be9A1 THR 172 HA 0.34 0.09 0.39 -0.75 4.39 4.45 2be9A1 THR 172 HB 0.14 -0.01 0.13 -0.04 4.32 4.54 2be9A1 THR 172 HG23 0.15 -0.01 0.03 -0.04 1.22 1.35 2be9A1 ARG 173 H 0.18 0.40 -0.50 -0.55 8.46 7.99 2be9A1 ARG 173 HA -0.06 0.12 0.80 -0.75 4.34 4.45 2be9A1 ARG 173 HB2 -0.49 -0.05 -0.06 -0.04 1.90 1.25 2be9A1 ARG 173 HB3 -0.15 -0.20 0.09 -0.04 1.80 1.49 2be9A1 ARG 173 HG2 0.15 0.15 0.03 -0.04 1.67 1.96 2be9A1 ARG 173 HG3 0.13 -0.08 -0.08 -0.04 1.67 1.60 2be9A1 ARG 173 HD2 0.18 0.14 -0.01 -0.04 3.22 3.49 2be9A1 ARG 173 HD3 0.06 -0.19 0.01 -0.04 3.22 3.07 2be9A1 PHE 174 H 0.20 0.59 -0.27 -0.55 8.34 8.30 2be9A1 PHE 174 HA 0.04 0.12 0.81 -0.75 4.62 4.83 2be9A1 PHE 174 HB2 -0.02 0.14 0.02 -0.04 3.15 3.25 2be9A1 PHE 174 HB3 0.02 -0.27 0.02 -0.04 3.06 2.79 2be9A1 PHE 174 HD2 0.04 0.01 -0.05 -0.04 7.28 7.24 2be9A1 PHE 174 HE2 0.09 0.00 -0.09 -0.04 7.38 7.34 2be9A1 PHE 174 HZ 0.06 -0.03 -0.09 -0.04 7.32 7.21 2be9A1 ARG 175 H 0.22 -0.02 -0.01 -0.55 8.46 8.10 2be9A1 ARG 175 HA 0.09 0.34 0.85 -0.75 4.34 4.87 2be9A1 ARG 175 HB2 0.08 -0.08 0.02 -0.04 1.90 1.88 2be9A1 ARG 175 HB3 0.06 -0.09 0.23 -0.04 1.80 1.96 2be9A1 ARG 175 HG2 0.04 -0.06 0.02 -0.04 1.67 1.63 2be9A1 ARG 175 HG3 0.07 0.11 0.08 -0.04 1.67 1.88 2be9A1 ARG 175 HD2 0.05 0.02 0.01 -0.04 3.22 3.26 2be9A1 ARG 175 HD3 0.06 0.27 -0.24 -0.04 3.22 3.27 2be9A1 PRO 176 HA 0.07 -0.00 0.56 -0.51 4.44 4.55 2be9A1 PRO 176 HB2 -0.30 0.02 -0.24 -0.04 2.28 1.73 2be9A1 PRO 176 HB3 -0.05 0.03 -0.03 -0.04 2.02 1.93 2be9A1 PRO 176 HG2 -1.34 0.02 -0.13 -0.04 2.03 0.54 2be9A1 PRO 176 HG3 -0.46 -0.01 -0.08 -0.04 2.03 1.45 2be9A1 PRO 176 HD2 -0.14 0.15 -0.03 -0.04 3.68 3.63 2be9A1 PRO 176 HD3 -0.04 0.17 -0.43 -0.04 3.65 3.31 2be9A1 LYS 177 H 0.02 0.32 0.04 -0.55 8.42 8.23 2be9A1 LYS 177 HA 0.01 0.05 0.52 -0.75 4.32 4.14 2be9A1 LYS 177 HB2 -0.02 0.07 0.02 -0.04 1.87 1.90 2be9A1 LYS 177 HB3 -0.03 0.01 -0.13 -0.04 1.79 1.60 2be9A1 LYS 177 HG2 -0.02 -0.04 -0.17 -0.04 1.46 1.18 2be9A1 LYS 177 HG3 -0.01 -0.03 0.04 -0.04 1.46 1.42 2be9A1 LYS 177 HD2 -0.03 0.05 -0.01 -0.04 1.69 1.67 2be9A1 LYS 177 HD3 -0.01 -0.06 -0.02 -0.04 1.68 1.55 2be9A1 LYS 177 HE2 -0.00 -0.05 0.03 -0.04 2.99 2.92 2be9A1 LYS 177 HE3 -0.01 0.06 0.07 -0.04 2.99 3.07 2be9A1 LEU 178 H 0.02 0.33 0.10 -0.55 8.37 8.27 2be9A1 LEU 178 HA -0.02 0.30 0.58 -0.75 4.35 4.45 2be9A1 LEU 178 HB2 -0.10 0.13 -0.31 -0.04 1.64 1.32 2be9A1 LEU 178 HB3 -0.14 -0.08 -0.10 -0.04 1.64 1.28 2be9A1 LEU 178 HG -0.57 -0.07 -0.43 -0.04 1.64 0.53 2be9A1 LEU 178 HD13 -0.18 0.03 -0.35 -0.04 0.93 0.38 2be9A1 LEU 178 HD23 -0.55 -0.01 -0.15 -0.04 0.89 0.14 2be9A1 VAL 179 H 0.00 0.71 0.19 -0.55 8.24 8.59 2be9A1 VAL 179 HA 0.09 0.11 0.98 -0.75 4.13 4.56 2be9A1 VAL 179 HB 0.13 0.03 0.11 -0.04 2.12 2.35 2be9A1 VAL 179 HG13 0.03 -0.03 -0.21 -0.04 0.97 0.72 2be9A1 VAL 179 HG23 -0.36 0.01 -0.17 -0.04 0.95 0.38 2be9A1 TYR 180 H 0.15 0.80 0.18 -0.55 8.29 8.87 2be9A1 TYR 180 HA 0.06 0.16 0.78 -0.75 4.56 4.81 2be9A1 TYR 180 HB2 0.06 0.11 0.28 -0.04 3.06 3.46 2be9A1 TYR 180 HB3 0.06 -0.06 -0.06 -0.04 2.98 2.88 2be9A1 TYR 180 HD2 0.04 0.11 -0.07 -0.04 7.15 7.19 2be9A1 TYR 180 HE2 0.02 0.01 -0.11 -0.04 6.85 6.73 2be9A1 LEU 181 H 0.20 0.65 0.21 -0.55 8.37 8.88 2be9A1 LEU 181 HA 0.12 0.14 0.91 -0.75 4.35 4.76 2be9A1 LEU 181 HB2 0.09 -0.01 0.03 -0.04 1.64 1.71 2be9A1 LEU 181 HB3 0.07 -0.05 0.09 -0.04 1.64 1.71 2be9A1 LEU 181 HG 0.05 -0.07 -0.03 -0.04 1.64 1.55 2be9A1 LEU 181 HD13 0.07 0.03 -0.23 -0.04 0.93 0.75 2be9A1 LEU 181 HD23 0.04 -0.00 -0.08 -0.04 0.89 0.80 2be9A1 ILE 182 H 0.13 0.80 0.18 -0.55 8.25 8.81 2be9A1 ILE 182 HA 0.14 0.37 0.86 -0.75 4.18 4.79 2be9A1 ILE 182 HB 0.13 0.00 0.11 -0.04 1.89 2.09 2be9A1 ILE 182 HG12 0.03 -0.03 -0.32 -0.04 1.49 1.12 2be9A1 ILE 182 HG13 0.12 -0.06 -0.32 -0.04 1.21 0.91 2be9A1 ILE 182 HG23 0.14 -0.04 -0.40 -0.04 0.93 0.59 2be9A1 ILE 182 HD13 -0.03 -0.02 -0.17 -0.04 0.88 0.62 2be9A1 SER 183 H 0.15 0.52 0.34 -0.55 8.46 8.93 2be9A1 SER 183 HA -0.11 0.10 0.83 -0.75 4.49 4.57 2be9A1 SER 183 HB2 -0.07 -0.04 0.12 -0.04 3.95 3.92 2be9A1 SER 183 HB3 0.02 -0.06 -0.25 -0.04 3.93 3.60 2be9A1 PRO 184 HA 0.12 0.17 0.71 -0.51 4.44 4.93 2be9A1 PRO 184 HB2 0.09 -0.14 0.03 -0.04 2.28 2.21 2be9A1 PRO 184 HB3 0.04 0.10 0.12 -0.04 2.02 2.24 2be9A1 PRO 184 HG2 -0.09 -0.11 0.03 -0.04 2.03 1.82 2be9A1 PRO 184 HG3 -0.05 0.04 0.02 -0.04 2.03 2.00 2be9A1 PRO 184 HD2 -0.33 0.27 0.27 -0.04 3.68 3.85 2be9A1 PRO 184 HD3 -1.49 0.16 0.11 -0.04 3.65 2.40 2be9A1 GLN 185 H 0.08 0.15 0.13 -0.55 8.47 8.29 2be9A1 GLN 185 HA 0.03 0.14 0.29 -0.75 4.36 4.07 2be9A1 GLN 185 HB2 0.06 -0.01 0.17 -0.04 2.15 2.33 2be9A1 GLN 185 HB3 0.04 0.00 0.01 -0.04 2.02 2.03 2be9A1 GLN 185 HG2 0.04 0.04 0.04 -0.04 2.40 2.48 2be9A1 GLN 185 HG3 0.04 0.01 0.03 -0.04 2.39 2.43 2be9A1 GLN 185 HE21 0.01 0.02 -0.10 -0.04 6.97 6.86 2be9A1 GLN 185 HE22 0.01 -0.04 -0.31 -0.04 7.69 7.31 2be9A1 LEU 186 H -0.01 0.00 -0.31 -0.55 8.37 7.50 2be9A1 LEU 186 HA -0.05 0.11 0.26 -0.75 4.35 3.91 2be9A1 LEU 186 HB2 -0.13 -0.08 0.06 -0.04 1.64 1.45 2be9A1 LEU 186 HB3 -0.34 0.01 -0.08 -0.04 1.64 1.18 2be9A1 LEU 186 HG -0.28 -0.10 0.01 -0.04 1.64 1.22 2be9A1 LEU 186 HD13 -0.24 0.03 -0.09 -0.04 0.93 0.58 2be9A1 LEU 186 HD23 -0.05 0.02 0.05 -0.04 0.89 0.87 2be9A1 LEU 187 H -0.07 0.37 -0.46 -0.55 8.37 7.67 2be9A1 LEU 187 HA -0.09 0.20 0.73 -0.75 4.35 4.44 2be9A1 LEU 187 HB2 -0.07 0.16 0.16 -0.04 1.64 1.84 2be9A1 LEU 187 HB3 -0.03 -0.29 0.24 -0.04 1.64 1.52 2be9A1 LEU 187 HG -0.20 -0.09 -0.20 -0.04 1.64 1.10 2be9A1 LEU 187 HD13 0.01 0.00 -0.02 -0.04 0.93 0.88 2be9A1 LEU 187 HD23 0.03 0.05 -0.14 -0.04 0.89 0.78 2be9A1 ARG 188 H -0.05 0.28 -0.37 -0.55 8.46 7.77 2be9A1 ARG 188 HA -0.02 0.04 0.44 -0.75 4.34 4.05 2be9A1 ARG 188 HB2 -0.03 -0.00 0.02 -0.04 1.90 1.85 2be9A1 ARG 188 HB3 -0.01 0.06 -0.04 -0.04 1.80 1.76 2be9A1 ARG 188 HG2 0.02 -0.01 -0.05 -0.04 1.67 1.58 2be9A1 ARG 188 HG3 -0.00 0.14 -0.02 -0.04 1.67 1.75 2be9A1 ARG 188 HD2 0.00 0.05 0.05 -0.04 3.22 3.29 2be9A1 ARG 188 HD3 0.00 -0.02 -0.01 -0.04 3.22 3.16 2be9A1 ALA 189 H -0.01 0.07 0.04 -0.55 8.40 7.96 2be9A1 ALA 189 HA -0.06 0.29 0.43 -0.75 4.34 4.24 2be9A1 ALA 189 HB3 -0.01 -0.01 0.05 -0.04 1.41 1.40 2be9A1 ARG 190 H -0.06 0.14 0.21 -0.55 8.46 8.19 2be9A1 ARG 190 HA -0.05 0.13 0.47 -0.75 4.34 4.14 2be9A1 ARG 190 HB2 -0.04 -0.01 0.21 -0.04 1.90 2.02 2be9A1 ARG 190 HB3 -0.03 -0.13 0.05 -0.04 1.80 1.64 2be9A1 ARG 190 HG2 -0.09 0.04 0.08 -0.04 1.67 1.67 2be9A1 ARG 190 HG3 -0.14 0.10 0.13 -0.04 1.67 1.73 2be9A1 ARG 190 HD2 -0.03 -0.03 0.06 -0.04 3.22 3.18 2be9A1 ARG 190 HD3 -0.04 -0.03 0.05 -0.04 3.22 3.17 2be9A1 LYS 191 H -0.03 0.20 0.18 -0.55 8.42 8.22 2be9A1 LYS 191 HA -0.02 0.11 0.37 -0.75 4.32 4.03 2be9A1 LYS 191 HB2 -0.01 0.06 0.14 -0.04 1.87 2.02 2be9A1 LYS 191 HB3 -0.01 -0.06 0.13 -0.04 1.79 1.80 2be9A1 LYS 191 HG2 -0.01 0.02 -0.21 -0.04 1.46 1.22 2be9A1 LYS 191 HG3 -0.01 0.04 0.01 -0.04 1.46 1.46 2be9A1 GLU 192 H -0.01 0.05 -0.24 -0.55 8.60 7.85 2be9A1 GLU 192 HA -0.00 0.09 0.28 -0.75 4.29 3.89 2be9A1 GLU 192 HB2 -0.00 -0.01 0.07 -0.04 2.09 2.11 2be9A1 GLU 192 HB3 0.00 -0.06 0.03 -0.04 1.99 1.92 2be9A1 GLU 192 HG2 0.01 0.04 -0.00 -0.04 2.34 2.35 2be9A1 GLU 192 HG3 0.01 -0.01 -0.02 -0.04 2.34 2.27 2be9A1 ILE 193 H -0.01 0.17 -0.26 -0.55 8.25 7.60 2be9A1 ILE 193 HA 0.03 0.06 0.39 -0.75 4.18 3.91 2be9A1 ILE 193 HB 0.00 -0.09 0.11 -0.04 1.89 1.88 2be9A1 ILE 193 HG12 0.03 -0.00 0.05 -0.04 1.49 1.52 2be9A1 ILE 193 HG13 0.00 -0.04 0.04 -0.04 1.21 1.17 2be9A1 ILE 193 HG23 -0.02 0.09 -0.01 -0.04 0.93 0.95 2be9A1 ILE 193 HD13 -0.01 0.02 -0.08 -0.04 0.88 0.76 2be9A1 LEU 194 H -0.02 0.45 -0.07 -0.55 8.37 8.19 2be9A1 LEU 194 HA -0.05 0.01 0.32 -0.75 4.35 3.88 2be9A1 LEU 194 HB2 -0.02 0.05 0.04 -0.04 1.64 1.67 2be9A1 LEU 194 HB3 -0.03 0.02 -0.02 -0.04 1.64 1.56 2be9A1 LEU 194 HG -0.02 0.01 -0.22 -0.04 1.64 1.37 2be9A1 LEU 194 HD13 -0.00 -0.01 -0.08 -0.04 0.93 0.79 2be9A1 LEU 194 HD23 -0.01 -0.01 -0.07 -0.04 0.89 0.75 2be9A1 ASP 195 H -0.02 0.50 -0.28 -0.55 8.40 8.04 2be9A1 ASP 195 HA -0.04 0.07 0.47 -0.75 4.63 4.38 2be9A1 ASP 195 HB2 -0.01 0.09 0.02 -0.04 2.71 2.77 2be9A1 ASP 195 HB3 -0.02 -0.03 0.05 -0.04 2.70 2.66 2be9A1 GLU 196 H -0.01 0.39 -0.34 -0.55 8.60 8.09 2be9A1 GLU 196 HA -0.02 0.04 0.57 -0.75 4.29 4.12 2be9A1 GLU 196 HB2 0.07 0.10 0.07 -0.04 2.09 2.29 2be9A1 GLU 196 HB3 0.11 -0.08 0.06 -0.04 1.99 2.04 2be9A1 GLU 196 HG2 0.04 -0.06 0.03 -0.04 2.34 2.31 2be9A1 GLU 196 HG3 0.04 0.22 0.15 -0.04 2.34 2.71 2be9A1 LEU 197 H -0.10 0.29 -0.29 -0.55 8.37 7.73 2be9A1 LEU 197 HA -0.20 0.01 0.21 -0.75 4.35 3.62 2be9A1 LEU 197 HB2 -0.32 0.12 0.10 -0.04 1.64 1.49 2be9A1 LEU 197 HB3 -0.95 -0.07 0.04 -0.04 1.64 0.63 2be9A1 LEU 197 HG -0.11 0.10 0.05 -0.04 1.64 1.64 2be9A1 LEU 197 HD13 -0.11 -0.03 -0.06 -0.04 0.93 0.68 2be9A1 LEU 197 HD23 -0.06 -0.01 -0.21 -0.04 0.89 0.57 2be9A1 ASN 198 H -0.37 0.10 0.10 -0.55 8.53 7.81 2be9A1 ASN 198 HA -0.10 0.18 0.83 -0.75 4.76 4.93 2be9A1 ASN 198 HB2 -0.01 -0.03 0.21 -0.04 2.88 3.00 2be9A1 ASN 198 HB3 -0.04 0.05 0.02 -0.04 2.79 2.78 2be9A1 ASN 198 HD21 0.07 0.31 0.16 -0.04 7.03 7.53 2be9A1 ASN 198 HD22 0.02 -0.09 0.09 -0.04 7.74 7.72 2be9A1 TYR 199 H -0.46 0.22 -0.11 -0.55 8.29 7.39 2be9A1 TYR 199 HA -0.00 0.17 0.60 -0.75 4.56 4.57 2be9A1 TYR 199 HB2 -0.01 0.18 -0.02 -0.04 3.06 3.17 2be9A1 TYR 199 HB3 0.00 0.11 -0.06 -0.04 2.98 3.00 2be9A1 TYR 199 HD2 -0.02 0.18 -0.40 -0.04 7.15 6.87 2be9A1 TYR 199 HE2 -0.05 -0.05 -0.22 -0.04 6.85 6.48 2be9A1 PRO 200 HA 0.03 -0.01 0.50 -0.51 4.44 4.46 2be9A1 PRO 200 HB2 0.01 0.02 0.16 -0.04 2.28 2.43 2be9A1 PRO 200 HB3 0.00 -0.02 0.10 -0.04 2.02 2.06 2be9A1 PRO 200 HG2 0.03 0.15 0.17 -0.04 2.03 2.34 2be9A1 PRO 200 HG3 0.03 -0.04 0.09 -0.04 2.03 2.07 2be9A1 PRO 200 HD2 0.11 0.32 0.12 -0.04 3.68 4.19 2be9A1 PRO 200 HD3 0.10 0.09 0.20 -0.04 3.65 4.00 2be9A1 VAL 201 H 0.01 0.22 0.29 -0.55 8.24 8.21 2be9A1 VAL 201 HA 0.04 0.25 0.88 -0.75 4.13 4.54 2be9A1 VAL 201 HB -0.01 0.06 0.09 -0.04 2.12 2.22 2be9A1 VAL 201 HG13 0.02 -0.04 -0.14 -0.04 0.97 0.76 2be9A1 VAL 201 HG23 0.10 0.02 -0.05 -0.04 0.95 0.98 2be9A1 LYS 202 H 0.02 0.51 0.23 -0.55 8.42 8.62 2be9A1 LYS 202 HA 0.04 0.07 0.52 -0.75 4.32 4.20 2be9A1 LYS 202 HB2 -0.06 0.04 -0.25 -0.04 1.87 1.55 2be9A1 LYS 202 HB3 0.11 -0.07 -0.00 -0.04 1.79 1.79 2be9A1 LYS 202 HG2 0.10 0.06 -0.03 -0.04 1.46 1.55 2be9A1 LYS 202 HG3 0.05 0.05 0.10 -0.04 1.46 1.61 2be9A1 LYS 202 HD2 0.09 0.01 -0.07 -0.04 1.69 1.68 2be9A1 LYS 202 HD3 0.25 -0.04 -0.10 -0.04 1.68 1.75 2be9A1 LYS 202 HE2 0.08 0.00 -0.01 -0.04 2.99 3.03 2be9A1 LYS 202 HE3 0.06 0.01 -0.01 -0.04 2.99 3.01 2be9A1 GLU 203 H 0.07 0.15 0.12 -0.55 8.60 8.39 2be9A1 GLU 203 HA 0.10 0.18 0.77 -0.75 4.29 4.59 2be9A1 GLU 203 HB2 0.05 -0.02 0.16 -0.04 2.09 2.23 2be9A1 GLU 203 HB3 0.06 0.04 0.03 -0.04 1.99 2.07 2be9A1 GLU 203 HG2 0.05 0.03 0.07 -0.04 2.34 2.45 2be9A1 GLU 203 HG3 0.05 -0.05 -0.01 -0.04 2.34 2.28 2be9A1 VAL 204 H 0.11 0.75 0.41 -0.55 8.24 8.97 2be9A1 VAL 204 HA 0.08 0.08 0.71 -0.75 4.13 4.24 2be9A1 VAL 204 HB 0.11 0.04 -0.16 -0.04 2.12 2.06 2be9A1 VAL 204 HG13 -0.01 -0.08 -0.22 -0.04 0.97 0.62 2be9A1 VAL 204 HG23 0.07 0.03 -0.11 -0.04 0.95 0.90 2be9A1 GLU 205 H 0.07 0.06 0.17 -0.55 8.60 8.35 2be9A1 GLU 205 HA 0.18 0.39 1.05 -0.75 4.29 5.16 2be9A1 GLU 205 HB2 0.08 -0.03 0.12 -0.04 2.09 2.22 2be9A1 GLU 205 HB3 0.14 -0.02 0.04 -0.04 1.99 2.11 2be9A1 GLU 205 HG2 0.11 0.20 -0.03 -0.04 2.34 2.58 2be9A1 GLU 205 HG3 0.08 -0.01 -0.13 -0.04 2.34 2.24 2be9A1 ASN 206 H 0.04 0.04 0.12 -0.55 8.53 8.18 2be9A1 ASN 206 HA -0.07 0.37 1.01 -0.75 4.76 5.31 2be9A1 ASN 206 HB2 -0.00 0.09 0.02 -0.04 2.88 2.94 2be9A1 ASN 206 HB3 0.02 -0.02 0.12 -0.04 2.79 2.87 2be9A1 ASN 206 HD21 0.13 0.02 -0.13 -0.04 7.03 7.00 2be9A1 ASN 206 HD22 0.04 0.06 -0.03 -0.04 7.74 7.77 2be9A1 PRO 207 HA -0.11 0.09 0.25 -0.51 4.44 4.17 2be9A1 PRO 207 HB2 -0.30 0.03 -0.07 -0.04 2.28 1.91 2be9A1 PRO 207 HB3 -0.12 0.08 0.02 -0.04 2.02 1.97 2be9A1 PRO 207 HG2 -0.26 -0.08 0.11 -0.04 2.03 1.76 2be9A1 PRO 207 HG3 -0.20 0.23 0.09 -0.04 2.03 2.10 2be9A1 PRO 207 HD2 -0.11 0.07 0.28 -0.04 3.68 3.88 2be9A1 PRO 207 HD3 -0.19 0.27 0.18 -0.04 3.65 3.87 2be9A1 PHE 208 H 0.12 0.16 -0.13 -0.55 8.34 7.94 2be9A1 PHE 208 HA -0.05 0.10 0.33 -0.75 4.62 4.25 2be9A1 PHE 208 HB2 -0.06 -0.02 0.02 -0.04 3.15 3.06 2be9A1 PHE 208 HB3 -0.04 0.07 0.02 -0.04 3.06 3.07 2be9A1 PHE 208 HD2 -0.06 0.03 0.02 -0.04 7.28 7.23 2be9A1 PHE 208 HE2 -0.05 0.06 -0.11 -0.04 7.38 7.24 2be9A1 PHE 208 HZ -0.04 -0.13 -0.07 -0.04 7.32 7.03 2be9A1 GLU 209 H 0.03 0.22 -0.51 -0.55 8.60 7.79 2be9A1 GLU 209 HA 0.02 0.08 0.43 -0.75 4.29 4.06 2be9A1 GLU 209 HB2 0.01 -0.08 0.09 -0.04 2.09 2.07 2be9A1 GLU 209 HB3 -0.05 0.07 0.02 -0.04 1.99 1.99 2be9A1 GLU 209 HG2 -0.01 0.05 0.07 -0.04 2.34 2.41 2be9A1 GLU 209 HG3 0.01 -0.03 0.04 -0.04 2.34 2.32 2be9A1 VAL 210 H -0.13 0.34 -0.20 -0.55 8.24 7.70 2be9A1 VAL 210 HA -0.13 0.22 0.86 -0.75 4.13 4.33 2be9A1 VAL 210 HB -0.81 -0.01 0.03 -0.04 2.12 1.29 2be9A1 VAL 210 HG13 -0.44 -0.00 -0.22 -0.04 0.97 0.26 2be9A1 VAL 210 HG23 -0.57 0.00 -0.13 -0.04 0.95 0.21 2be9A1 ILE 211 H -0.11 0.28 0.06 -0.55 8.25 7.93 2be9A1 ILE 211 HA -0.10 -0.01 0.19 -0.75 4.18 3.51 2be9A1 ILE 211 HB -0.23 -0.00 -0.09 -0.04 1.89 1.53 2be9A1 ILE 211 HG12 -0.20 0.05 -0.14 -0.04 1.49 1.16 2be9A1 ILE 211 HG13 -0.09 0.09 -0.22 -0.04 1.21 0.95 2be9A1 ILE 211 HG23 -0.08 0.05 -0.10 -0.04 0.93 0.76 2be9A1 ILE 211 HD13 -0.12 -0.03 -0.09 -0.04 0.88 0.60 2be9A1 ASN 212 H -0.03 0.04 -0.51 -0.55 8.53 7.49 2be9A1 ASN 212 HA -0.00 0.26 0.43 -0.75 4.76 4.69 2be9A1 ASN 212 HB2 0.01 -0.01 0.04 -0.04 2.88 2.88 2be9A1 ASN 212 HB3 0.01 0.02 0.04 -0.04 2.79 2.83 2be9A1 ASN 212 HD21 0.02 -0.01 -0.09 -0.04 7.03 6.91 2be9A1 ASN 212 HD22 0.02 0.00 -0.18 -0.04 7.74 7.54 2be9A1 GLU 213 H -0.00 0.56 -0.24 -0.55 8.60 8.37 2be9A1 GLU 213 HA 0.03 0.14 0.67 -0.75 4.29 4.38 2be9A1 GLU 213 HB2 0.14 0.10 0.01 -0.04 2.09 2.30 2be9A1 GLU 213 HB3 0.13 -0.05 0.01 -0.04 1.99 2.03 2be9A1 GLU 213 HG2 0.06 -0.00 -0.04 -0.04 2.34 2.32 2be9A1 GLU 213 HG3 0.04 -0.07 -0.08 -0.04 2.34 2.19 2be9A1 VAL 214 H 0.01 0.25 -0.20 -0.55 8.24 7.75 2be9A1 VAL 214 HA 0.02 0.05 0.26 -0.75 4.13 3.71 2be9A1 VAL 214 HB 0.04 0.02 -0.22 -0.04 2.12 1.91 2be9A1 VAL 214 HG13 0.08 -0.00 -0.19 -0.04 0.97 0.81 2be9A1 VAL 214 HG23 -0.00 0.03 -0.25 -0.04 0.95 0.69 2be9A1 ASP 215 H -0.18 0.48 0.41 -0.55 8.40 8.57 2be9A1 ASP 215 HA -0.01 0.11 0.79 -0.75 4.63 4.76 2be9A1 ASP 215 HB2 -0.62 -0.03 0.21 -0.04 2.71 2.23 2be9A1 ASP 215 HB3 -0.91 0.05 0.07 -0.04 2.70 1.86 2be9A1 VAL 216 H -0.26 0.41 0.26 -0.55 8.24 8.10 2be9A1 VAL 216 HA 0.02 0.31 1.02 -0.75 4.13 4.73 2be9A1 VAL 216 HB -0.43 -0.09 0.09 -0.04 2.12 1.64 2be9A1 VAL 216 HG13 0.18 -0.02 -0.22 -0.04 0.97 0.87 2be9A1 VAL 216 HG23 -0.26 0.01 -0.15 -0.04 0.95 0.52 2be9A1 LEU 217 H 0.05 0.82 0.34 -0.55 8.37 9.04 2be9A1 LEU 217 HA 0.11 0.21 1.01 -0.75 4.35 4.92 2be9A1 LEU 217 HB2 0.02 0.07 -0.02 -0.04 1.64 1.67 2be9A1 LEU 217 HB3 0.04 -0.09 0.18 -0.04 1.64 1.73 2be9A1 LEU 217 HG -0.01 0.01 -0.08 -0.04 1.64 1.52 2be9A1 LEU 217 HD13 -0.02 -0.02 -0.13 -0.04 0.93 0.72 2be9A1 LEU 217 HD23 0.05 0.01 -0.14 -0.04 0.89 0.77 2be9A1 TYR 218 H 0.23 0.83 0.35 -0.55 8.29 9.15 2be9A1 TYR 218 HA 0.07 0.19 0.84 -0.75 4.56 4.90 2be9A1 TYR 218 HB2 0.11 -0.01 -0.15 -0.04 3.06 2.97 2be9A1 TYR 218 HB3 0.08 -0.03 0.12 -0.04 2.98 3.11 2be9A1 TYR 218 HD2 0.04 -0.02 -0.23 -0.04 7.15 6.90 2be9A1 TYR 218 HE2 -0.01 -0.06 -0.19 -0.04 6.85 6.55 2be9A1 VAL 219 H -0.18 0.55 0.36 -0.55 8.24 8.42 2be9A1 VAL 219 HA 0.08 0.35 1.13 -0.75 4.13 4.93 2be9A1 VAL 219 HB 0.02 -0.03 -0.05 -0.04 2.12 2.02 2be9A1 VAL 219 HG13 0.06 0.02 -0.01 -0.04 0.97 0.99 2be9A1 VAL 219 HG23 0.06 0.01 -0.02 -0.04 0.95 0.96 2be9A1 THR 220 H 0.09 0.78 0.51 -0.55 8.28 9.11 2be9A1 THR 220 HA -0.02 0.17 0.78 -0.75 4.39 4.56 2be9A1 THR 220 HB 0.05 -0.05 0.17 -0.04 4.32 4.45 2be9A1 THR 220 HG23 0.08 0.00 -0.14 -0.04 1.22 1.12 2be9A1 ARG 221 H 0.10 0.17 0.16 -0.55 8.46 8.34 2be9A1 ARG 221 HA 0.11 0.10 0.63 -0.75 4.34 4.42 2be9A1 ARG 221 HB2 0.12 0.02 0.12 -0.04 1.90 2.11 2be9A1 ARG 221 HB3 0.09 0.02 0.02 -0.04 1.80 1.89 2be9A1 ARG 221 HG2 0.10 0.24 -0.09 -0.04 1.67 1.88 2be9A1 ARG 221 HG3 0.08 -0.13 0.09 -0.04 1.67 1.67 2be9A1 ARG 221 HD2 0.06 -0.06 -0.01 -0.04 3.22 3.17 2be9A1 ARG 221 HD3 0.06 0.04 -0.08 -0.04 3.22 3.19 2be9A1 ILE 222 H 0.14 0.19 0.20 -0.55 8.25 8.23 2be9A1 ILE 222 HA 0.14 0.12 0.81 -0.75 4.18 4.49 2be9A1 ILE 222 HB 0.24 -0.00 0.08 -0.04 1.89 2.17 2be9A1 ILE 222 HG12 0.06 0.02 -0.19 -0.04 1.49 1.34 2be9A1 ILE 222 HG13 0.09 -0.02 -0.13 -0.04 1.21 1.12 2be9A1 ILE 222 HG23 0.43 -0.01 -0.18 -0.04 0.93 1.13 2be9A1 ILE 222 HD13 -0.07 0.03 -0.03 -0.04 0.88 0.76 2be9A1 GLN 223 H 0.12 0.21 0.04 -0.55 8.47 8.29 2be9A1 GLN 223 HA -0.06 0.17 0.90 -0.75 4.36 4.61 2be9A1 GLN 223 HB2 0.01 0.05 -0.01 -0.04 2.15 2.15 2be9A1 GLN 223 HB3 -0.05 -0.05 -0.10 -0.04 2.02 1.78 2be9A1 GLN 223 HG2 -0.01 0.01 -0.04 -0.04 2.40 2.31 2be9A1 GLN 223 HG3 0.03 0.02 -0.35 -0.04 2.39 2.05 2be9A1 GLN 223 HE21 0.04 0.04 -0.05 -0.04 6.97 6.96 2be9A1 GLN 223 HE22 0.04 -0.04 -0.11 -0.04 7.69 7.55 2be9A1 LYS 224 H -0.47 0.19 0.10 -0.55 8.42 7.69 2be9A1 LYS 224 HA -0.89 0.01 0.36 -0.75 4.32 3.04 2be9A1 GLU 225 H -0.11 0.07 -0.22 -0.55 8.60 7.79 2be9A1 GLU 225 HA -0.03 0.06 0.18 -0.75 4.29 3.76 2be9A1 GLU 225 HB2 -0.04 0.08 0.14 -0.04 2.09 2.22 2be9A1 GLU 225 HB3 -0.04 0.00 0.07 -0.04 1.99 1.98 2be9A1 GLU 225 HG2 -0.06 0.03 0.00 -0.04 2.34 2.28 2be9A1 GLU 225 HG3 -0.04 0.06 0.04 -0.04 2.34 2.36 2be9A1 ARG 226 H 0.07 0.31 0.51 -0.55 8.46 8.79 2be9A1 ARG 226 HA -0.09 0.09 0.67 -0.75 4.34 4.26 2be9A1 ARG 226 HB2 -0.04 -0.02 -0.58 -0.04 1.90 1.22 2be9A1 ARG 226 HB3 -0.03 0.01 -0.10 -0.04 1.80 1.64 2be9A1 ARG 226 HG2 -0.10 -0.09 -0.08 -0.04 1.67 1.36 2be9A1 ARG 226 HG3 -0.15 0.02 0.02 -0.04 1.67 1.51 2be9A1 ARG 226 HD2 -0.18 0.05 -0.06 -0.04 3.22 3.00 2be9A1 ARG 226 HD3 -0.16 -0.09 -0.02 -0.04 3.22 2.90 2be9A1 PHE 227 H 0.36 0.37 0.28 -0.55 8.34 8.80 2be9A1 PHE 227 HA 0.03 0.11 0.54 -0.75 4.62 4.55 2be9A1 PHE 227 HB2 0.06 0.08 0.16 -0.04 3.15 3.40 2be9A1 PHE 227 HB3 0.07 -0.14 0.16 -0.04 3.06 3.11 2be9A1 PHE 227 HD2 0.04 0.08 0.05 -0.04 7.28 7.41 2be9A1 PHE 227 HE2 0.10 0.01 -0.10 -0.04 7.38 7.34 2be9A1 PHE 227 HZ 0.06 0.03 -0.07 -0.04 7.32 7.29 2be9A1 VAL 228 H 0.18 0.08 0.19 -0.55 8.24 8.14 2be9A1 VAL 228 HA 0.06 0.14 0.43 -0.75 4.13 4.01 2be9A1 ASP 229 H 0.15 0.08 -0.01 -0.55 8.40 8.07 2be9A1 ASP 229 HA 0.06 0.26 0.42 -0.75 4.63 4.62 2be9A1 ASP 229 HB2 0.04 -0.08 0.17 -0.04 2.71 2.80 2be9A1 ASP 229 HB3 0.05 0.25 0.05 -0.04 2.70 3.01 2be9A1 GLU 230 H 0.04 0.27 0.15 -0.55 8.60 8.51 2be9A1 GLU 230 HA 0.07 0.08 0.32 -0.75 4.29 4.00 2be9A1 GLU 230 HB2 0.03 0.06 0.14 -0.04 2.09 2.28 2be9A1 GLU 230 HB3 0.04 0.06 0.01 -0.04 1.99 2.06 2be9A1 GLU 230 HG2 0.09 -0.06 0.12 -0.04 2.34 2.45 2be9A1 GLU 230 HG3 0.03 0.02 0.04 -0.04 2.34 2.38 2be9A1 MET 231 H 0.04 0.08 -0.24 -0.55 8.47 7.80 2be9A1 MET 231 HA 0.00 0.14 0.51 -0.75 4.52 4.42 2be9A1 MET 231 HB2 0.03 -0.04 0.02 -0.04 2.15 2.12 2be9A1 MET 231 HB3 0.01 0.08 -0.07 -0.04 2.03 2.01 2be9A1 MET 231 HG2 0.01 0.05 0.01 -0.04 2.63 2.66 2be9A1 MET 231 HG3 0.02 -0.05 0.01 -0.04 2.56 2.50 2be9A1 MET 231 HE3 0.01 0.01 -0.03 -0.04 2.10 2.05 2be9A1 GLU 232 H 0.04 0.17 -0.17 -0.55 8.60 8.09 2be9A1 GLU 232 HA 0.01 0.13 0.42 -0.75 4.29 4.10 2be9A1 GLU 232 HB2 0.14 -0.02 0.19 -0.04 2.09 2.37 2be9A1 GLU 232 HB3 0.22 0.02 0.00 -0.04 1.99 2.19 2be9A1 GLU 232 HG2 0.08 0.01 0.03 -0.04 2.34 2.42 2be9A1 GLU 232 HG3 0.16 -0.00 0.06 -0.04 2.34 2.51 2be9A1 TYR 233 H -0.16 0.25 -0.08 -0.55 8.29 7.74 2be9A1 TYR 233 HA -1.23 0.04 0.40 -0.75 4.56 3.01 2be9A1 TYR 233 HB2 -0.70 0.03 0.13 -0.04 3.06 2.48 2be9A1 TYR 233 HB3 -0.26 0.11 0.16 -0.04 2.98 2.95 2be9A1 TYR 233 HD2 -0.27 0.04 -0.06 -0.04 7.15 6.83 2be9A1 TYR 233 HE2 -0.01 0.06 -0.13 -0.04 6.85 6.73 2be9A1 GLU 234 H -0.09 0.42 -0.16 -0.55 8.60 8.23 2be9A1 GLU 234 HA -0.43 -0.02 0.32 -0.75 4.29 3.41 2be9A1 GLU 234 HB2 -0.06 0.07 0.15 -0.04 2.09 2.21 2be9A1 GLU 234 HB3 -0.09 0.00 0.06 -0.04 1.99 1.92 2be9A1 GLU 234 HG2 0.07 0.20 0.16 -0.04 2.34 2.73 2be9A1 GLU 234 HG3 0.01 -0.02 0.03 -0.04 2.34 2.32 2be9A1 LYS 235 H -0.12 0.40 -0.37 -0.55 8.42 7.77 2be9A1 LYS 235 HA -0.06 0.06 0.56 -0.75 4.32 4.12 2be9A1 LYS 235 HB2 -0.03 -0.01 0.10 -0.04 1.87 1.90 2be9A1 LYS 235 HB3 -0.03 0.05 0.15 -0.04 1.79 1.92 2be9A1 LYS 235 HG2 0.00 -0.00 -0.04 -0.04 1.46 1.38 2be9A1 LYS 235 HG3 -0.01 -0.01 0.09 -0.04 1.46 1.49 2be9A1 LYS 235 HD2 0.02 -0.04 -0.01 -0.04 1.69 1.62 2be9A1 LYS 235 HD3 0.02 -0.01 -0.00 -0.04 1.68 1.65 2be9A1 LYS 235 HE2 -0.00 0.01 0.01 -0.04 2.99 2.97 2be9A1 LYS 235 HE3 0.00 -0.03 -0.02 -0.04 2.99 2.91 2be9A1 ILE 236 H -0.18 0.44 -0.10 -0.55 8.25 7.86 2be9A1 ILE 236 HA 0.08 0.15 0.71 -0.75 4.18 4.37 2be9A1 ILE 236 HB 0.00 0.17 0.09 -0.04 1.89 2.11 2be9A1 ILE 236 HG12 0.25 -0.11 0.05 -0.04 1.49 1.64 2be9A1 ILE 236 HG13 0.26 0.05 0.09 -0.04 1.21 1.57 2be9A1 ILE 236 HG23 0.10 -0.03 -0.09 -0.04 0.93 0.87 2be9A1 ILE 236 HD13 0.13 -0.01 -0.03 -0.04 0.88 0.94 2be9A1 LYS 237 H -0.29 0.61 0.11 -0.55 8.42 8.28 2be9A1 LYS 237 HA 0.06 -0.01 0.12 -0.75 4.32 3.74 2be9A1 LYS 237 HB2 -0.23 -0.05 -0.00 -0.04 1.87 1.55 2be9A1 LYS 237 HB3 -0.99 0.01 0.02 -0.04 1.79 0.80 2be9A1 LYS 237 HG2 -0.48 0.15 0.06 -0.04 1.46 1.15 2be9A1 LYS 237 HG3 -0.22 0.02 -0.11 -0.04 1.46 1.11 2be9A1 LYS 237 HD2 -0.28 -0.04 -0.08 -0.04 1.69 1.25 2be9A1 LYS 237 HD3 -0.93 -0.06 -0.10 -0.04 1.68 0.56 2be9A1 LYS 237 HE2 -0.16 0.05 0.01 -0.04 2.99 2.84 2be9A1 LYS 237 HE3 -0.11 0.01 -0.05 -0.04 2.99 2.80 2be9A1 GLY 238 H -0.08 0.24 -0.25 -0.55 8.43 7.80 2be9A1 GLY 238 HA2 -0.03 0.02 0.28 -0.51 4.01 3.78 2be9A1 GLY 238 HA3 -0.04 0.08 0.29 -0.51 4.01 3.82 2be9A1 SER 239 H -0.01 0.40 -0.42 -0.55 8.46 7.88 2be9A1 SER 239 HA -0.06 0.19 0.92 -0.75 4.49 4.78 2be9A1 SER 239 HB2 -0.21 -0.06 0.20 -0.04 3.95 3.83 2be9A1 SER 239 HB3 -0.09 -0.02 0.01 -0.04 3.93 3.78 2be9A1 TYR 240 H 0.09 0.37 -0.04 -0.55 8.29 8.16 2be9A1 TYR 240 HA 0.02 0.21 0.75 -0.75 4.56 4.78 2be9A1 TYR 240 HB2 0.06 -0.03 0.07 -0.04 3.06 3.13 2be9A1 TYR 240 HB3 0.06 -0.04 0.16 -0.04 2.98 3.12 2be9A1 TYR 240 HD2 0.05 0.03 -0.07 -0.04 7.15 7.12 2be9A1 TYR 240 HE2 0.06 0.04 -0.16 -0.04 6.85 6.75 2be9A1 ILE 241 H 0.03 0.07 -0.15 -0.55 8.25 7.64 2be9A1 ILE 241 HA 0.02 0.19 0.74 -0.75 4.18 4.38 2be9A1 ILE 241 HB 0.01 0.11 0.05 -0.04 1.89 2.01 2be9A1 ILE 241 HG12 0.02 0.00 0.01 -0.04 1.49 1.48 2be9A1 ILE 241 HG13 0.04 0.07 -0.02 -0.04 1.21 1.27 2be9A1 ILE 241 HG23 -0.01 -0.04 -0.36 -0.04 0.93 0.48 2be9A1 ILE 241 HD13 -0.00 -0.02 -0.05 -0.04 0.88 0.76 2be9A1 VAL 242 H -0.03 0.73 0.31 -0.55 8.24 8.69 2be9A1 VAL 242 HA -0.06 0.10 0.74 -0.75 4.13 4.16 2be9A1 VAL 242 HB -0.08 -0.10 0.26 -0.04 2.12 2.16 2be9A1 VAL 242 HG13 -0.03 -0.00 -0.11 -0.04 0.97 0.78 2be9A1 VAL 242 HG23 -0.04 0.04 -0.03 -0.04 0.95 0.88 2be9A1 SER 243 H -0.03 0.23 0.11 -0.55 8.46 8.23 2be9A1 SER 243 HA 0.00 0.12 0.77 -0.75 4.49 4.63 2be9A1 SER 243 HB2 0.04 -0.06 0.15 -0.04 3.95 4.04 2be9A1 SER 243 HB3 0.04 0.18 0.02 -0.04 3.93 4.13 2be9A1 LEU 244 H 0.02 0.17 0.15 -0.55 8.37 8.16 2be9A1 LEU 244 HA 0.02 0.13 0.42 -0.75 4.35 4.16 2be9A1 LEU 244 HB2 0.02 -0.06 0.10 -0.04 1.64 1.66 2be9A1 LEU 244 HB3 0.02 0.03 0.05 -0.04 1.64 1.70 2be9A1 LEU 244 HG 0.02 0.06 -0.10 -0.04 1.64 1.57 2be9A1 LEU 244 HD13 0.02 -0.01 -0.11 -0.04 0.93 0.79 2be9A1 LEU 244 HD23 0.01 0.01 -0.04 -0.04 0.89 0.83 2be9A1 ASP 245 H 0.06 0.04 -0.15 -0.55 8.40 7.80 2be9A1 ASP 245 HA 0.07 0.15 0.39 -0.75 4.63 4.48 2be9A1 ASP 245 HB2 0.27 0.02 -0.06 -0.04 2.71 2.90 2be9A1 ASP 245 HB3 0.12 0.10 0.01 -0.04 2.70 2.88 2be9A1 LEU 246 H 0.06 -0.01 -0.29 -0.55 8.37 7.57 2be9A1 LEU 246 HA -0.24 0.10 0.37 -0.75 4.35 3.83 2be9A1 LEU 246 HB2 -0.33 -0.05 0.09 -0.04 1.64 1.31 2be9A1 LEU 246 HB3 -0.14 0.01 0.12 -0.04 1.64 1.59 2be9A1 LEU 246 HG -0.28 0.09 -0.19 -0.04 1.64 1.22 2be9A1 LEU 246 HD13 -1.04 -0.00 -0.10 -0.04 0.93 -0.25 2be9A1 LEU 246 HD23 -0.20 0.02 -0.06 -0.04 0.89 0.61 2be9A1 ALA 247 H -0.03 0.41 -0.14 -0.55 8.40 8.10 2be9A1 ALA 247 HA -0.03 0.07 0.35 -0.75 4.34 3.98 2be9A1 ALA 247 HB3 0.00 0.01 0.03 -0.04 1.41 1.40 2be9A1 ASN 248 H 0.02 0.48 -0.17 -0.55 8.53 8.31 2be9A1 ASN 248 HA 0.01 0.05 0.38 -0.75 4.76 4.45 2be9A1 ASN 248 HB2 0.04 0.03 0.09 -0.04 2.88 2.99 2be9A1 ASN 248 HB3 0.02 -0.02 0.03 -0.04 2.79 2.78 2be9A1 ASN 248 HD21 0.02 -0.12 -0.11 -0.04 7.03 6.77 2be9A1 ASN 248 HD22 0.03 -0.09 -0.14 -0.04 7.74 7.50 2be9A1 LYS 249 H 0.02 0.24 -0.49 -0.55 8.42 7.64 2be9A1 LYS 249 HA 0.03 0.06 0.57 -0.75 4.32 4.22 2be9A1 LYS 249 HB2 -0.01 0.06 0.00 -0.04 1.87 1.88 2be9A1 LYS 249 HB3 0.05 -0.09 0.07 -0.04 1.79 1.78 2be9A1 LYS 249 HG2 0.12 0.35 0.07 -0.04 1.46 1.96 2be9A1 LYS 249 HG3 0.29 -0.16 -0.03 -0.04 1.46 1.52 2be9A1 LYS 249 HD2 0.07 0.05 -0.01 -0.04 1.69 1.75 2be9A1 LYS 249 HD3 0.08 -0.03 -0.08 -0.04 1.68 1.61 2be9A1 LYS 249 HE2 0.12 -0.07 -0.04 -0.04 2.99 2.96 2be9A1 LYS 249 HE3 0.16 -0.00 -0.01 -0.04 2.99 3.09 2be9A1 MET 250 H -0.01 0.39 -0.43 -0.55 8.47 7.87 2be9A1 MET 250 HA -0.01 0.13 0.55 -0.75 4.52 4.44 2be9A1 MET 250 HB2 -0.01 0.09 -0.00 -0.04 2.15 2.19 2be9A1 MET 250 HB3 -0.00 -0.00 0.03 -0.04 2.03 2.01 2be9A1 MET 250 HG2 -0.05 -0.01 -0.09 -0.04 2.63 2.44 2be9A1 MET 250 HG3 -0.04 0.10 0.04 -0.04 2.56 2.62 2be9A1 MET 250 HE3 -0.00 0.03 -0.20 -0.04 2.10 1.88 2be9A1 LYS 251 H 0.01 0.19 0.11 -0.55 8.42 8.17 2be9A1 LYS 251 HA 0.02 0.05 0.45 -0.75 4.32 4.08 2be9A1 LYS 251 HB2 0.05 -0.06 -0.02 -0.04 1.87 1.79 2be9A1 LYS 251 HB3 0.03 -0.09 0.11 -0.04 1.79 1.79 2be9A1 LYS 251 HG2 0.01 0.10 0.09 -0.04 1.46 1.62 2be9A1 LYS 251 HG3 0.02 0.12 -0.11 -0.04 1.46 1.45 2be9A1 LYS 251 HD2 0.02 -0.10 0.05 -0.04 1.69 1.62 2be9A1 LYS 251 HD3 0.01 0.17 0.09 -0.04 1.68 1.92 2be9A1 LYS 251 HE2 0.03 -0.10 -0.02 -0.04 2.99 2.86 2be9A1 LYS 251 HE3 0.01 -0.04 -0.00 -0.04 2.99 2.92 2be9A1 LYS 252 H 0.02 0.10 0.16 -0.55 8.42 8.14 2be9A1 LYS 252 HA 0.01 0.10 0.33 -0.75 4.32 4.00 2be9A1 LYS 252 HB2 0.01 -0.00 0.16 -0.04 1.87 2.00 2be9A1 LYS 252 HB3 0.02 -0.04 0.14 -0.04 1.79 1.86 2be9A1 LYS 252 HG2 0.01 0.04 -0.13 -0.04 1.46 1.33 2be9A1 LYS 252 HG3 0.01 -0.01 0.05 -0.04 1.46 1.47 2be9A1 LYS 252 HD2 0.00 -0.02 0.03 -0.04 1.69 1.66 2be9A1 LYS 252 HD3 0.01 -0.01 0.02 -0.04 1.68 1.66 2be9A1 LYS 252 HE2 -0.00 -0.02 0.00 -0.04 2.99 2.92 2be9A1 LYS 252 HE3 -0.00 0.03 -0.02 -0.04 2.99 2.95 2be9A1 ASP 253 H 0.06 0.00 -0.23 -0.55 8.40 7.68 2be9A1 ASP 253 HA 0.06 0.17 0.45 -0.75 4.63 4.56 2be9A1 ASP 253 HB2 0.05 -0.10 0.04 -0.04 2.71 2.66 2be9A1 ASP 253 HB3 0.16 0.01 0.00 -0.04 2.70 2.83 2be9A1 SER 254 H 0.07 0.35 -0.48 -0.55 8.46 7.84 2be9A1 SER 254 HA 0.27 0.13 0.61 -0.75 4.49 4.75 2be9A1 SER 254 HB2 0.03 0.16 0.02 -0.04 3.95 4.13 2be9A1 SER 254 HB3 0.04 -0.06 -0.06 -0.04 3.93 3.81 2be9A1 ILE 255 H 0.10 0.64 0.40 -0.55 8.25 8.84 2be9A1 ILE 255 HA -0.12 0.35 1.10 -0.75 4.18 4.76 2be9A1 ILE 255 HB -0.18 -0.07 0.02 -0.04 1.89 1.62 2be9A1 ILE 255 HG12 0.18 0.13 0.10 -0.04 1.49 1.86 2be9A1 ILE 255 HG13 0.05 -0.18 -0.08 -0.04 1.21 0.95 2be9A1 ILE 255 HG23 -0.84 0.05 -0.17 -0.04 0.93 -0.07 2be9A1 ILE 255 HD13 -0.05 -0.02 -0.10 -0.04 0.88 0.67 2be9A1 ILE 256 H -0.05 0.75 0.32 -0.55 8.25 8.73 2be9A1 ILE 256 HA 0.05 0.28 1.08 -0.75 4.18 4.84 2be9A1 ILE 256 HB 0.11 -0.11 0.08 -0.04 1.89 1.93 2be9A1 ILE 256 HG12 0.02 -0.00 -0.09 -0.04 1.49 1.38 2be9A1 ILE 256 HG13 0.01 0.07 -0.35 -0.04 1.21 0.90 2be9A1 ILE 256 HG23 0.09 -0.03 -0.14 -0.04 0.93 0.82 2be9A1 ILE 256 HD13 0.02 -0.02 -0.16 -0.04 0.88 0.67 2be9A1 LEU 257 H 0.08 0.90 0.40 -0.55 8.37 9.20 2be9A1 LEU 257 HA 0.11 0.06 0.90 -0.75 4.35 4.67 2be9A1 LEU 257 HB2 0.19 -0.01 -0.04 -0.04 1.64 1.73 2be9A1 LEU 257 HB3 0.08 -0.05 -0.04 -0.04 1.64 1.59 2be9A1 LEU 257 HG 0.12 0.03 -0.28 -0.04 1.64 1.47 2be9A1 LEU 257 HD13 0.25 -0.00 -0.11 -0.04 0.93 1.02 2be9A1 LEU 257 HD23 0.06 0.02 -0.22 -0.04 0.89 0.70 2be9A1 HIS 258 H 0.04 0.22 0.10 -0.55 8.41 8.21 2be9A1 HIS 258 HA -0.47 0.23 0.49 -0.75 4.63 4.12 2be9A1 HIS 258 HB2 -0.29 0.09 -0.04 -0.04 3.26 2.98 2be9A1 HIS 258 HB3 -0.33 -0.12 -0.07 -0.04 3.20 2.64 2be9A1 HIS 258 HD2 -0.14 -0.17 -0.79 -0.04 6.97 5.82 2be9A1 HIS 258 HE1 -0.07 -0.22 -0.08 -0.04 7.75 7.34 2be9A1 PRO 259 HA -0.05 0.05 0.65 -0.51 4.44 4.58 2be9A1 PRO 259 HB2 -0.08 0.07 0.06 -0.04 2.28 2.29 2be9A1 PRO 259 HB3 -0.04 0.00 0.06 -0.04 2.02 2.00 2be9A1 PRO 259 HG2 -0.27 0.03 0.15 -0.04 2.03 1.89 2be9A1 PRO 259 HG3 -0.03 -0.05 0.02 -0.04 2.03 1.93 2be9A1 PRO 259 HD2 -0.86 0.29 0.22 -0.04 3.68 3.29 2be9A1 PRO 259 HD3 -0.88 0.08 0.05 -0.04 3.65 2.86 2be9A1 LEU 260 H 0.07 0.10 0.13 -0.55 8.37 8.11 2be9A1 LEU 260 HA 0.25 0.11 -0.01 -0.75 4.35 3.94 2be9A1 LEU 260 HB2 0.12 0.01 0.10 -0.04 1.64 1.83 2be9A1 LEU 260 HB3 0.12 -0.06 0.13 -0.04 1.64 1.79 2be9A1 LEU 260 HG 0.15 -0.02 0.01 -0.04 1.64 1.74 2be9A1 LEU 260 HD13 0.08 -0.03 -0.22 -0.04 0.93 0.71 2be9A1 LEU 260 HD23 0.13 0.02 0.02 -0.04 0.89 1.02 2be9A1 PRO 261 HA 0.10 0.00 0.36 -0.51 4.44 4.40 2be9A1 PRO 261 HB2 0.07 0.17 0.00 -0.04 2.28 2.47 2be9A1 PRO 261 HB3 0.08 -0.01 0.12 -0.04 2.02 2.17 2be9A1 PRO 261 HG2 0.08 0.00 0.03 -0.04 2.03 2.10 2be9A1 PRO 261 HG3 0.07 -0.01 0.09 -0.04 2.03 2.14 2be9A1 PRO 261 HD2 0.09 0.16 0.50 -0.04 3.68 4.40 2be9A1 PRO 261 HD3 0.10 -0.02 0.12 -0.04 3.65 3.80 2be9A1 ARG 262 H 0.01 0.16 0.14 -0.55 8.46 8.21 2be9A1 ARG 262 HA -0.07 0.15 0.75 -0.75 4.34 4.42 2be9A1 ARG 262 HB2 -0.25 -0.03 -0.12 -0.04 1.90 1.46 2be9A1 ARG 262 HB3 -0.71 0.04 -0.01 -0.04 1.80 1.08 2be9A1 ARG 262 HG2 -0.34 0.03 -0.06 -0.04 1.67 1.25 2be9A1 ARG 262 HG3 -0.08 -0.08 0.10 -0.04 1.67 1.57 2be9A1 ARG 262 HD2 -0.01 0.01 -0.03 -0.04 3.22 3.15 2be9A1 ARG 262 HD3 -0.12 0.09 -0.14 -0.04 3.22 3.01 2be9A1 VAL 263 H -0.04 -0.02 0.04 -0.55 8.24 7.67 2be9A1 VAL 263 HA -0.00 0.27 0.75 -0.75 4.13 4.39 2be9A1 VAL 263 HB 0.02 -0.18 0.21 -0.04 2.12 2.13 2be9A1 VAL 263 HG13 0.02 0.03 -0.01 -0.04 0.97 0.97 2be9A1 VAL 263 HG23 0.03 0.03 -0.10 -0.04 0.95 0.87 2be9A1 ASN 264 H -0.00 0.07 0.16 -0.55 8.53 8.21 2be9A1 ASN 264 HA -0.03 0.31 0.89 -0.75 4.76 5.17 2be9A1 ASN 264 HB2 0.02 -0.03 0.02 -0.04 2.88 2.85 2be9A1 ASN 264 HB3 0.01 0.03 0.11 -0.04 2.79 2.89 2be9A1 ASN 264 HD21 0.00 0.02 -0.02 -0.04 7.03 6.99 2be9A1 ASN 264 HD22 -0.01 0.03 0.11 -0.04 7.74 7.83 2be9A1 GLU 265 H -0.06 -0.05 0.05 -0.55 8.60 7.99 2be9A1 GLU 265 HA -0.00 0.15 0.47 -0.75 4.29 4.16 2be9A1 GLU 265 HB2 0.02 0.19 0.11 -0.04 2.09 2.37 2be9A1 GLU 265 HB3 0.03 -0.09 0.10 -0.04 1.99 2.00 2be9A1 GLU 265 HG2 -0.22 0.07 -0.23 -0.04 2.34 1.91 2be9A1 GLU 265 HG3 0.03 0.10 -0.26 -0.04 2.34 2.18 2be9A1 ILE 266 H -0.16 0.09 -0.32 -0.55 8.25 7.30 2be9A1 ILE 266 HA -0.12 0.21 0.88 -0.75 4.18 4.41 2be9A1 ILE 266 HB -0.36 -0.06 -0.05 -0.04 1.89 1.38 2be9A1 ILE 266 HG12 -0.27 0.09 -0.05 -0.04 1.49 1.22 2be9A1 ILE 266 HG13 -0.38 -0.14 -0.36 -0.04 1.21 0.29 2be9A1 ILE 266 HG23 -0.22 0.05 -0.17 -0.04 0.93 0.55 2be9A1 ILE 266 HD13 -0.94 0.01 -0.15 -0.04 0.88 -0.24 2be9A1 ASP 267 H -0.04 0.78 0.16 -0.55 8.40 8.75 2be9A1 ASP 267 HA -0.02 0.06 0.61 -0.75 4.63 4.53 2be9A1 ASP 267 HB2 -0.01 0.09 0.21 -0.04 2.71 2.96 2be9A1 ASP 267 HB3 -0.00 -0.04 0.19 -0.04 2.70 2.80 2be9A1 ARG 268 H 0.00 0.20 0.19 -0.55 8.46 8.30 2be9A1 ARG 268 HA 0.04 0.10 0.27 -0.75 4.34 3.98 2be9A1 ARG 268 HB2 0.03 0.01 0.07 -0.04 1.90 1.96 2be9A1 ARG 268 HB3 0.06 0.04 0.12 -0.04 1.80 1.98 2be9A1 ARG 268 HG2 -0.00 0.07 0.04 -0.04 1.67 1.74 2be9A1 ARG 268 HG3 0.00 -0.02 0.14 -0.04 1.67 1.75 2be9A1 ARG 268 HD2 0.02 0.00 0.04 -0.04 3.22 3.24 2be9A1 ARG 268 HD3 0.05 0.00 0.03 -0.04 3.22 3.26 2be9A1 LYS 269 H 0.02 0.01 -0.43 -0.55 8.42 7.46 2be9A1 LYS 269 HA 0.03 0.18 0.54 -0.75 4.32 4.32 2be9A1 LYS 269 HB2 0.02 -0.10 0.03 -0.04 1.87 1.78 2be9A1 LYS 269 HB3 0.02 0.07 -0.01 -0.04 1.79 1.83 2be9A1 LYS 269 HG2 0.02 0.08 0.02 -0.04 1.46 1.54 2be9A1 LYS 269 HG3 0.02 -0.05 -0.01 -0.04 1.46 1.37 2be9A1 LYS 269 HD2 0.01 -0.07 0.01 -0.04 1.69 1.59 2be9A1 LYS 269 HD3 0.01 0.06 -0.00 -0.04 1.68 1.70 2be9A1 LYS 269 HE2 0.01 -0.03 0.00 -0.04 2.99 2.93 2be9A1 LYS 269 HE3 0.01 0.03 0.00 -0.04 2.99 2.98 2be9A1 VAL 270 H 0.03 0.32 -0.23 -0.55 8.24 7.82 2be9A1 VAL 270 HA 0.03 0.04 0.35 -0.75 4.13 3.81 2be9A1 VAL 270 HB 0.09 0.08 -0.01 -0.04 2.12 2.24 2be9A1 VAL 270 HG13 0.09 0.00 -0.13 -0.04 0.97 0.89 2be9A1 VAL 270 HG23 0.01 -0.02 -0.14 -0.04 0.95 0.76 2be9A1 ASP 271 H 0.12 0.14 -0.42 -0.55 8.40 7.69 2be9A1 ASP 271 HA 0.08 -0.04 0.32 -0.75 4.63 4.23 2be9A1 ASP 271 HB2 0.12 0.17 0.05 -0.04 2.71 3.02 2be9A1 ASP 271 HB3 0.22 -0.00 -0.03 -0.04 2.70 2.85 2be9A1 LYS 272 H 0.04 0.30 -0.44 -0.55 8.42 7.77 2be9A1 LYS 272 HA 0.02 0.12 0.49 -0.75 4.32 4.19 2be9A1 LYS 272 HB2 0.02 0.05 0.07 -0.04 1.87 1.96 2be9A1 LYS 272 HB3 0.01 -0.02 0.10 -0.04 1.79 1.84 2be9A1 LYS 272 HG2 0.04 -0.03 -0.12 -0.04 1.46 1.32 2be9A1 LYS 272 HG3 0.03 -0.01 0.04 -0.04 1.46 1.49 2be9A1 LYS 272 HD2 0.01 0.02 0.00 -0.04 1.69 1.68 2be9A1 LYS 272 HD3 0.02 -0.03 -0.01 -0.04 1.68 1.61 2be9A1 LYS 272 HE2 0.01 0.03 0.01 -0.04 2.99 3.00 2be9A1 LYS 272 HE3 0.01 -0.02 0.00 -0.04 2.99 2.94 2be9A1 THR 273 H 0.01 0.35 -0.14 -0.55 8.28 7.95 2be9A1 THR 273 HA -0.01 0.07 0.61 -0.75 4.39 4.31 2be9A1 THR 273 HB -0.01 -0.01 0.11 -0.04 4.32 4.38 2be9A1 THR 273 HG23 0.01 0.00 0.04 -0.04 1.22 1.23 2be9A1 THR 274 H -0.02 0.13 0.18 -0.55 8.28 8.02 2be9A1 THR 274 HA -0.04 0.16 0.44 -0.75 4.39 4.19 2be9A1 THR 274 HB -0.02 0.04 0.14 -0.04 4.32 4.44 2be9A1 THR 274 HG23 -0.01 -0.01 0.07 -0.04 1.22 1.23 2be9A1 LYS 275 H -0.04 -0.07 -0.34 -0.55 8.42 7.41 2be9A1 LYS 275 HA -0.09 0.33 0.51 -0.75 4.32 4.31 2be9A1 LYS 275 HB2 -0.03 -0.15 -0.13 -0.04 1.87 1.52 2be9A1 LYS 275 HB3 -0.04 0.10 -0.04 -0.04 1.79 1.78 2be9A1 LYS 275 HG2 -0.02 -0.02 -0.02 -0.04 1.46 1.35 2be9A1 LYS 275 HG3 -0.01 -0.14 -0.05 -0.04 1.46 1.22 2be9A1 LYS 275 HD2 -0.01 -0.04 -0.08 -0.04 1.69 1.52 2be9A1 LYS 275 HD3 -0.01 0.17 -0.11 -0.04 1.68 1.70 2be9A1 LYS 275 HE2 0.00 0.24 -0.29 -0.04 2.99 2.90 2be9A1 LYS 275 HE3 -0.00 -0.12 -0.05 -0.04 2.99 2.78 2be9A1 ALA 276 H -0.10 0.31 -0.32 -0.55 8.40 7.74 2be9A1 ALA 276 HA -0.19 -0.08 0.53 -0.75 4.34 3.84 2be9A1 ALA 276 HB3 -0.39 0.04 -0.01 -0.04 1.41 1.01 2be9A1 LYS 277 H -0.28 0.48 0.43 -0.55 8.42 8.49 2be9A1 LYS 277 HA -0.20 0.21 0.92 -0.75 4.32 4.50 2be9A1 LYS 277 HB2 -0.13 0.08 0.03 -0.04 1.87 1.81 2be9A1 LYS 277 HB3 -0.06 -0.11 0.01 -0.04 1.79 1.58 2be9A1 LYS 277 HG2 -0.28 0.07 -0.07 -0.04 1.46 1.14 2be9A1 LYS 277 HG3 -0.10 -0.06 0.00 -0.04 1.46 1.26 2be9A1 LYS 277 HD2 -0.12 -0.12 0.10 -0.04 1.69 1.51 2be9A1 LYS 277 HD3 -0.18 0.16 -0.50 -0.04 1.68 1.12 2be9A1 LYS 277 HE2 -0.29 0.07 -0.04 -0.04 2.99 2.69 2be9A1 LYS 277 HE3 -0.07 -0.08 -0.01 -0.04 2.99 2.79 2be9A1 TYR 278 H -0.95 0.14 0.15 -0.55 8.29 7.07 2be9A1 TYR 278 HA -0.08 0.05 0.44 -0.75 4.56 4.21 2be9A1 TYR 278 HB2 -0.23 0.06 0.04 -0.04 3.06 2.89 2be9A1 TYR 278 HB3 -0.11 -0.11 0.12 -0.04 2.98 2.84 2be9A1 TYR 278 HD2 -0.67 0.08 -0.13 -0.04 7.15 6.39 2be9A1 TYR 278 HE2 -0.40 0.03 -0.07 -0.04 6.85 6.37 2be9A1 PHE 279 H -0.45 0.15 -0.16 -0.55 8.34 7.33 2be9A1 PHE 279 HA -0.00 0.07 0.61 -0.75 4.62 4.55 2be9A1 PHE 279 HB2 -0.15 0.08 0.04 -0.04 3.15 3.08 2be9A1 PHE 279 HB3 -0.07 0.07 0.00 -0.04 3.06 3.02 2be9A1 PHE 279 HD2 -0.03 0.07 0.00 -0.04 7.28 7.28 2be9A1 PHE 279 HE2 0.08 -0.00 -0.02 -0.04 7.38 7.40 2be9A1 PHE 279 HZ 0.10 -0.01 -0.02 -0.04 7.32 7.34 2be9A1 GLU 280 H -0.06 0.14 -0.25 -0.55 8.60 7.89 2be9A1 GLU 280 HA -0.24 0.09 0.47 -0.75 4.29 3.86 2be9A1 GLU 280 HB2 -0.05 0.12 0.13 -0.04 2.09 2.24 2be9A1 GLU 280 HB3 -0.07 0.05 0.00 -0.04 1.99 1.92 2be9A1 GLU 280 HG2 -0.00 0.09 0.02 -0.04 2.34 2.40 2be9A1 GLU 280 HG3 -0.06 -0.02 0.00 -0.04 2.34 2.22 2be9A1 GLN 281 H -0.03 0.44 -0.17 -0.55 8.47 8.16 2be9A1 GLN 281 HA 0.18 0.08 0.35 -0.75 4.36 4.21 2be9A1 GLN 281 HB2 0.07 0.13 0.09 -0.04 2.15 2.40 2be9A1 GLN 281 HB3 0.06 0.14 0.19 -0.04 2.02 2.36 2be9A1 GLN 281 HG2 0.09 -0.04 -0.21 -0.04 2.40 2.20 2be9A1 GLN 281 HG3 0.14 0.06 -0.09 -0.04 2.39 2.46 2be9A1 GLN 281 HE21 0.03 -0.07 -0.26 -0.04 6.97 6.63 2be9A1 GLN 281 HE22 0.15 0.02 -0.15 -0.04 7.69 7.66 2be9A1 ALA 282 H 0.03 0.41 -0.21 -0.55 8.40 8.09 2be9A1 ALA 282 HA 0.04 -0.01 0.41 -0.75 4.34 4.03 2be9A1 ALA 282 HB3 0.09 0.01 0.14 -0.04 1.41 1.61 2be9A1 SER 283 H -0.16 0.35 -0.43 -0.55 8.46 7.67 2be9A1 SER 283 HA -0.07 -0.01 0.36 -0.75 4.49 4.02 2be9A1 SER 283 HB2 -0.12 -0.04 0.13 -0.04 3.95 3.88 2be9A1 SER 283 HB3 -0.14 0.07 0.14 -0.04 3.93 3.95 2be9A1 TYR 284 H -0.19 0.36 -0.39 -0.55 8.29 7.52 2be9A1 TYR 284 HA -0.00 0.17 0.81 -0.75 4.56 4.78 2be9A1 TYR 284 HB2 0.09 0.08 0.02 -0.04 3.06 3.21 2be9A1 TYR 284 HB3 -0.06 -0.08 0.07 -0.04 2.98 2.86 2be9A1 TYR 284 HD2 0.13 -0.02 -0.07 -0.04 7.15 7.16 2be9A1 TYR 284 HE2 0.07 -0.03 -0.11 -0.04 6.85 6.74 2be9A1 GLY 285 H 0.03 0.44 -0.33 -0.55 8.43 8.02 2be9A1 GLY 285 HA2 -0.01 -0.03 0.30 -0.51 4.01 3.76 2be9A1 GLY 285 HA3 -0.02 0.06 0.31 -0.51 4.01 3.84 2be9A1 VAL 286 H -0.02 0.19 -0.17 -0.55 8.24 7.68 2be9A1 VAL 286 HA -0.10 0.03 0.41 -0.75 4.13 3.73 2be9A1 VAL 286 HB -0.02 0.12 0.08 -0.04 2.12 2.26 2be9A1 VAL 286 HG13 -0.05 0.01 -0.20 -0.04 0.97 0.68 2be9A1 VAL 286 HG23 -0.03 0.01 0.06 -0.04 0.95 0.94 2be9A1 PRO 287 HA 0.01 0.06 0.32 -0.51 4.44 4.33 2be9A1 PRO 287 HB2 0.02 0.04 -0.04 -0.04 2.28 2.26 2be9A1 PRO 287 HB3 0.10 0.09 -0.13 -0.04 2.02 2.04 2be9A1 PRO 287 HG2 0.07 0.05 0.10 -0.04 2.03 2.21 2be9A1 PRO 287 HG3 0.13 0.11 0.07 -0.04 2.03 2.30 2be9A1 PRO 287 HD2 0.04 -0.07 -0.30 -0.04 3.68 3.30 2be9A1 PRO 287 HD3 0.03 0.15 0.07 -0.04 3.65 3.86 2be9A1 VAL 288 H -0.04 0.70 -0.21 -0.55 8.24 8.13 2be9A1 VAL 288 HA -0.07 0.04 0.45 -0.75 4.13 3.79 2be9A1 VAL 288 HB -0.04 0.12 0.03 -0.04 2.12 2.19 2be9A1 VAL 288 HG13 -0.00 -0.05 -0.24 -0.04 0.97 0.64 2be9A1 VAL 288 HG23 -0.20 0.02 -0.05 -0.04 0.95 0.68 2be9A1 ARG 289 H -0.07 0.56 -0.15 -0.55 8.46 8.24 2be9A1 ARG 289 HA 0.02 -0.05 0.42 -0.75 4.34 3.97 2be9A1 ARG 289 HB2 -0.26 0.15 0.10 -0.04 1.90 1.85 2be9A1 ARG 289 HB3 -0.24 -0.06 -0.03 -0.04 1.80 1.43 2be9A1 ARG 289 HG2 -0.28 -0.11 -0.06 -0.04 1.67 1.18 2be9A1 ARG 289 HG3 -0.19 0.04 -0.05 -0.04 1.67 1.43 2be9A1 ARG 289 HD2 -0.46 0.08 -0.17 -0.04 3.22 2.62 2be9A1 ARG 289 HD3 -1.81 -0.05 -0.16 -0.04 3.22 1.16 2be9A1 MET 290 H -0.05 0.84 -0.01 -0.55 8.47 8.70 2be9A1 MET 290 HA -0.05 0.02 0.46 -0.75 4.52 4.20 2be9A1 MET 290 HB2 -0.13 0.12 0.13 -0.04 2.15 2.24 2be9A1 MET 290 HB3 -0.62 -0.01 -0.05 -0.04 2.03 1.31 2be9A1 MET 290 HG2 -0.21 0.13 0.03 -0.04 2.63 2.54 2be9A1 MET 290 HG3 -0.13 -0.02 0.01 -0.04 2.56 2.38 2be9A1 MET 290 HE3 -0.84 0.02 -0.10 -0.04 2.10 1.13 2be9A1 SER 291 H 0.13 0.53 -0.38 -0.55 8.46 8.20 2be9A1 SER 291 HA 0.31 0.01 0.25 -0.75 4.49 4.31 2be9A1 SER 291 HB2 0.07 0.19 0.22 -0.04 3.95 4.39 2be9A1 SER 291 HB3 0.08 -0.11 0.03 -0.04 3.93 3.89 2be9A1 ILE 292 H 0.11 0.54 -0.04 -0.55 8.25 8.32 2be9A1 ILE 292 HA 0.17 -0.01 0.39 -0.75 4.18 3.98 2be9A1 ILE 292 HB 0.19 0.08 0.10 -0.04 1.89 2.22 2be9A1 ILE 292 HG12 0.18 -0.05 -0.02 -0.04 1.49 1.56 2be9A1 ILE 292 HG13 0.09 0.25 0.07 -0.04 1.21 1.58 2be9A1 ILE 292 HG23 0.28 -0.02 -0.15 -0.04 0.93 1.00 2be9A1 ILE 292 HD13 0.15 -0.04 -0.08 -0.04 0.88 0.87 2be9A1 LEU 293 H 0.16 0.61 -0.27 -0.55 8.37 8.32 2be9A1 LEU 293 HA 0.25 -0.02 0.32 -0.75 4.35 4.15 2be9A1 LEU 293 HB2 0.12 0.24 0.15 -0.04 1.64 2.11 2be9A1 LEU 293 HB3 0.14 0.01 -0.11 -0.04 1.64 1.64 2be9A1 LEU 293 HG 0.10 -0.00 -0.11 -0.04 1.64 1.59 2be9A1 LEU 293 HD13 0.27 -0.03 -0.11 -0.04 0.93 1.01 2be9A1 LEU 293 HD23 0.14 0.02 -0.22 -0.04 0.89 0.80 2be9A1 THR 294 H 0.16 0.62 -0.16 -0.55 8.28 8.35 2be9A1 THR 294 HA 0.15 -0.02 0.39 -0.75 4.39 4.16 2be9A1 THR 294 HB 0.19 0.12 0.10 -0.04 4.32 4.68 2be9A1 THR 294 HG23 0.15 -0.02 -0.04 -0.04 1.22 1.27 2be9A1 LYS 295 H 0.12 0.48 -0.22 -0.55 8.42 8.24 2be9A1 LYS 295 HA 0.05 0.04 0.47 -0.75 4.32 4.13 2be9A1 LYS 295 HB2 0.10 0.06 0.12 -0.04 1.87 2.11 2be9A1 LYS 295 HB3 0.05 -0.09 0.03 -0.04 1.79 1.74 2be9A1 LYS 295 HG2 0.05 0.00 -0.08 -0.04 1.46 1.40 2be9A1 LYS 295 HG3 0.08 0.12 -0.05 -0.04 1.46 1.57 2be9A1 LYS 295 HD2 0.04 -0.02 -0.08 -0.04 1.69 1.60 2be9A1 LYS 295 HD3 0.09 -0.06 -0.01 -0.04 1.68 1.65 2be9A1 LYS 295 HE2 0.03 -0.10 0.02 -0.04 2.99 2.90 2be9A1 LYS 295 HE3 0.03 0.03 0.02 -0.04 2.99 3.03 2be9A1 ILE 296 H 0.07 0.44 -0.14 -0.55 8.25 8.07 2be9A1 ILE 296 HA -0.12 0.22 0.47 -0.75 4.18 4.00 2be9A1 ILE 296 HB -0.06 0.03 0.10 -0.04 1.89 1.92 2be9A1 ILE 296 HG12 -0.10 -0.02 -0.29 -0.04 1.49 1.03 2be9A1 ILE 296 HG13 0.02 0.01 -0.07 -0.04 1.21 1.12 2be9A1 ILE 296 HG23 -0.70 -0.01 -0.08 -0.04 0.93 0.09 2be9A1 ILE 296 HD13 0.05 -0.05 -0.16 -0.04 0.88 0.68 2be9A1 TYR 297 H 0.17 0.47 -0.07 -0.55 8.29 8.31 2be9A1 TYR 297 HA 0.01 0.20 0.93 -0.75 4.56 4.94 2be9A1 TYR 297 HB2 0.03 0.02 -0.07 -0.04 3.06 2.99 2be9A1 TYR 297 HB3 0.02 0.04 0.03 -0.04 2.98 3.03 2be9A1 TYR 297 HD2 0.02 0.07 0.00 -0.04 7.15 7.20 2be9A1 TYR 297 HE2 0.01 0.01 -0.01 -0.04 6.85 6.82 2be9A1 GLY 298 H 0.12 0.47 -0.02 -0.55 8.43 8.45 2be9A1 GLY 298 HA2 0.09 0.18 0.81 -0.51 4.01 4.58 2be9A1 GLY 298 HA3 0.10 -0.06 0.37 -0.51 4.01 3.91 2be9A1 GLU 299 H 0.04 0.17 -0.33 -0.55 8.60 7.93 2be9A1 GLU 299 HA 0.03 0.19 0.65 -0.75 4.29 4.40 2be9A1 GLU 299 HB2 0.02 0.17 0.03 -0.04 2.09 2.27 2be9A1 GLU 299 HB3 0.01 -0.06 0.06 -0.04 1.99 1.96 2be9A1 GLU 299 HG2 0.02 -0.06 0.02 -0.04 2.34 2.28 2be9A1 GLU 299 HG3 0.04 0.19 -0.35 -0.04 2.34 2.17