============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 24 1.000 19.224 82.839 1.758 -99.200 -91.000 TYR 27 0.840 24.348 77.483 8.567 -99.200 -91.000 TYR 42 0.840 17.906 75.971 -1.061 -99.200 -91.000 PHE 48 1.000 9.583 83.796 13.077 -99.200 -91.000 TYR 51 0.840 7.895 89.689 20.975 -99.200 -91.000 PHE 53 1.000 2.083 82.544 26.736 -99.200 -91.000 TYR 61 0.840 17.642 89.692 16.140 -99.200 -91.000 TYR 62 0.840 13.682 82.489 16.674 -99.200 -91.000 TYR 63 0.840 16.856 86.799 9.248 -99.200 -91.000 TYR 73 0.840 15.179 72.858 5.529 -99.200 -91.000 TYR 94 0.840 23.416 88.234 17.160 -99.200 -91.000 PHE 101 1.000 11.260 77.334 16.495 -99.200 -91.000 PHE 125 1.000 9.960 77.825 21.009 -99.200 -91.000 TYR 126 0.840 2.650 77.519 24.274 -99.200 -91.000 PHE 127 1.000 2.692 79.567 14.893 -99.200 -91.000 TYR 173 0.840 34.276 66.905 5.135 -99.200 -91.000 PHE 180 1.000 21.099 60.217 14.445 -99.200 -91.000 PHE 187 1.000 5.124 62.791 21.243 -99.200 -91.000 TRP 191 1.040 11.493 58.924 29.502 -99.200 -91.000 TRP6 191 1.020 9.901 57.573 28.393 -99.200 -91.000 PHE 195 1.000 12.495 60.022 22.893 -99.200 -91.000 TYR 210 0.840 20.357 49.292 21.579 -99.200 -91.000 HIS 213 0.900 8.673 51.801 27.582 -99.200 -91.000 TYR 220 0.840 15.087 55.575 36.754 -99.200 -91.000 PHE 234 1.000 19.949 62.578 37.316 -99.200 -91.000 TYR 241 0.840 21.108 51.069 28.041 -99.200 -91.000 HIS 250 0.900 36.435 56.392 28.850 -99.200 -91.000 TYR 251 0.840 31.999 65.104 31.707 -99.200 -91.000 TYR 258 0.840 35.075 70.503 11.175 -99.200 -91.000 HIS 286 0.900 20.201 69.456 37.245 -99.200 -91.000 HIS 289 0.900 16.992 68.671 25.506 -99.200 -91.000 TYR 307 0.840 22.372 70.628 17.125 -99.200 -91.000 TRP 308 1.040 16.920 64.057 16.484 -99.200 -91.000 TRP6 308 1.020 16.566 62.275 17.999 -99.200 -91.000 TRP 311 1.040 12.522 68.625 23.327 -99.200 -91.000 TRP6 311 1.020 13.662 70.579 24.019 -99.200 -91.000 HIS 326 0.900 17.463 81.269 22.292 -99.200 -91.000 PHE 329 1.000 10.361 81.062 30.861 -99.200 -91.000 TYR 333 0.840 18.715 74.270 28.980 -99.200 -91.000 TRP 335 1.040 28.367 70.213 23.939 -99.200 -91.000 TRP6 335 1.020 28.395 69.945 21.582 -99.200 -91.000 TYR 336 0.840 27.297 69.650 31.400 -99.200 -91.000 TYR 342 0.840 36.453 57.096 23.081 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1x9yB1 LYS 41 HA -0.01 -0.03 0.14 -0.75 4.32 3.66 1x9yB1 LYS 41 HB2 -0.01 -0.01 0.09 -0.04 1.87 1.89 1x9yB1 LYS 41 HB3 -0.01 -0.01 0.13 -0.04 1.79 1.86 1x9yB1 LYS 41 HG2 -0.01 -0.01 0.04 -0.04 1.46 1.45 1x9yB1 LYS 41 HG3 -0.01 -0.03 0.03 -0.04 1.46 1.42 1x9yB1 LYS 41 HD2 -0.01 -0.01 0.03 -0.04 1.69 1.66 1x9yB1 LYS 41 HD3 -0.01 0.00 0.04 -0.04 1.68 1.67 1x9yB1 LYS 41 HE2 -0.01 0.00 0.01 -0.04 2.99 2.96 1x9yB1 LYS 41 HE3 -0.01 -0.01 0.01 -0.04 2.99 2.94 1x9yB1 GLN 42 H -0.02 0.05 0.07 -0.55 8.47 8.03 1x9yB1 GLN 42 HA -0.02 0.33 0.75 -0.75 4.36 4.67 1x9yB1 GLN 42 HB2 -0.02 -0.11 0.08 -0.04 2.15 2.06 1x9yB1 GLN 42 HB3 -0.02 0.13 0.29 -0.04 2.02 2.37 1x9yB1 GLN 42 HG2 -0.01 0.02 0.09 -0.04 2.40 2.45 1x9yB1 GLN 42 HG3 -0.01 -0.02 -0.18 -0.04 2.39 2.14 1x9yB1 GLN 42 HE21 -0.00 -0.05 -0.04 -0.04 6.97 6.83 1x9yB1 GLN 42 HE22 -0.01 0.02 -0.08 -0.04 7.69 7.57 1x9yB1 LEU 43 H -0.04 0.41 0.17 -0.55 8.37 8.37 1x9yB1 LEU 43 HA -0.06 0.14 0.55 -0.75 4.35 4.23 1x9yB1 LEU 43 HB2 -0.06 0.30 0.20 -0.04 1.64 2.04 1x9yB1 LEU 43 HB3 -0.07 -0.13 0.20 -0.04 1.64 1.60 1x9yB1 LEU 43 HG -0.14 0.01 -0.24 -0.04 1.64 1.24 1x9yB1 LEU 43 HD13 -0.11 0.01 -0.11 -0.04 0.93 0.67 1x9yB1 LEU 43 HD23 -0.17 -0.04 -0.15 -0.04 0.89 0.49 1x9yB1 GLU 44 H -0.07 0.44 0.50 -0.55 8.60 8.92 1x9yB1 GLU 44 HA -0.06 0.25 1.09 -0.75 4.29 4.81 1x9yB1 GLU 44 HB2 -0.05 0.05 0.11 -0.04 2.09 2.16 1x9yB1 GLU 44 HB3 -0.04 -0.08 0.01 -0.04 1.99 1.84 1x9yB1 GLU 44 HG2 -0.03 -0.04 -0.12 -0.04 2.34 2.11 1x9yB1 GLU 44 HG3 -0.03 0.15 -0.29 -0.04 2.34 2.13 1x9yB1 ILE 45 H -0.06 0.65 0.43 -0.55 8.25 8.72 1x9yB1 ILE 45 HA -0.14 0.19 1.20 -0.75 4.18 4.68 1x9yB1 ILE 45 HB -0.06 -0.04 0.12 -0.04 1.89 1.87 1x9yB1 ILE 45 HG12 -0.34 0.01 -0.12 -0.04 1.49 1.00 1x9yB1 ILE 45 HG13 -0.21 -0.00 -0.25 -0.04 1.21 0.70 1x9yB1 ILE 45 HG23 -0.10 0.02 -0.03 -0.04 0.93 0.78 1x9yB1 ILE 45 HD13 -0.63 -0.00 -0.08 -0.04 0.88 0.12 1x9yB1 ASN 46 H -0.06 0.64 0.43 -0.55 8.53 8.99 1x9yB1 ASN 46 HA -0.02 0.24 0.75 -0.75 4.76 4.97 1x9yB1 ASN 46 HB2 -0.06 -0.12 0.16 -0.04 2.88 2.81 1x9yB1 ASN 46 HB3 -0.07 0.08 0.04 -0.04 2.79 2.80 1x9yB1 ASN 46 HD21 -0.05 -0.05 -0.19 -0.04 7.03 6.70 1x9yB1 ASN 46 HD22 -0.06 -0.09 -0.23 -0.04 7.74 7.31 1x9yB1 VAL 47 H 0.00 0.61 0.17 -0.55 8.24 8.48 1x9yB1 VAL 47 HA 0.15 0.13 0.71 -0.75 4.13 4.36 1x9yB1 VAL 47 HB 0.20 -0.06 0.07 -0.04 2.12 2.29 1x9yB1 VAL 47 HG13 0.18 0.04 -0.25 -0.04 0.97 0.90 1x9yB1 VAL 47 HG23 0.07 -0.01 -0.47 -0.04 0.95 0.49 1x9yB1 LYS 48 H 0.26 0.14 0.10 -0.55 8.42 8.36 1x9yB1 LYS 48 HA -0.03 0.26 0.56 -0.75 4.32 4.36 1x9yB1 LYS 48 HB2 0.06 0.03 0.08 -0.04 1.87 1.99 1x9yB1 LYS 48 HB3 0.21 -0.05 0.17 -0.04 1.79 2.07 1x9yB1 LYS 48 HG2 0.09 -0.03 -0.01 -0.04 1.46 1.47 1x9yB1 LYS 48 HG3 0.06 -0.01 -0.29 -0.04 1.46 1.18 1x9yB1 LYS 48 HD2 0.02 -0.00 0.06 -0.04 1.69 1.73 1x9yB1 LYS 48 HD3 0.03 -0.06 0.02 -0.04 1.68 1.64 1x9yB1 LYS 48 HE2 0.02 -0.09 0.09 -0.04 2.99 2.96 1x9yB1 LYS 48 HE3 -0.01 0.25 0.34 -0.04 2.99 3.54 1x9yB1 SER 49 H 0.11 0.23 0.01 -0.55 8.46 8.27 1x9yB1 SER 49 HA 0.04 0.17 0.60 -0.75 4.49 4.54 1x9yB1 SER 49 HB2 0.04 0.14 -0.11 -0.04 3.95 3.98 1x9yB1 SER 49 HB3 0.07 0.01 -0.06 -0.04 3.93 3.91 1x9yB1 ASP 50 H 0.03 0.15 0.10 -0.55 8.40 8.13 1x9yB1 ASP 50 HA 0.05 0.25 0.74 -0.75 4.63 4.92 1x9yB1 ASP 50 HB2 0.02 0.03 0.14 -0.04 2.71 2.85 1x9yB1 ASP 50 HB3 0.03 0.08 0.00 -0.04 2.70 2.77 1x9yB1 LYS 51 H 0.04 -0.06 -0.19 -0.55 8.42 7.65 1x9yB1 LYS 51 HA 0.01 0.07 0.46 -0.75 4.32 4.11 1x9yB1 LYS 51 HB2 0.04 -0.01 -0.00 -0.04 1.87 1.86 1x9yB1 LYS 51 HB3 0.02 0.01 -0.07 -0.04 1.79 1.71 1x9yB1 LYS 51 HG2 0.02 -0.09 0.03 -0.04 1.46 1.38 1x9yB1 LYS 51 HG3 0.02 0.02 0.00 -0.04 1.46 1.46 1x9yB1 LYS 51 HD2 0.01 -0.00 -0.00 -0.04 1.69 1.66 1x9yB1 LYS 51 HD3 0.01 0.04 -0.02 -0.04 1.68 1.67 1x9yB1 LYS 51 HE2 0.01 0.00 -0.00 -0.04 2.99 2.96 1x9yB1 LYS 51 HE3 0.01 0.02 -0.01 -0.04 2.99 2.96 1x9yB1 VAL 52 H -0.02 0.22 0.16 -0.55 8.24 8.04 1x9yB1 VAL 52 HA -0.11 0.22 0.74 -0.75 4.13 4.23 1x9yB1 VAL 52 HB -0.09 -0.05 -0.00 -0.04 2.12 1.94 1x9yB1 VAL 52 HG13 -0.47 0.02 -0.11 -0.04 0.97 0.37 1x9yB1 VAL 52 HG23 -0.03 0.06 -0.26 -0.04 0.95 0.68 1x9yB1 PRO 53 HA -0.07 0.04 0.48 -0.51 4.44 4.38 1x9yB1 PRO 53 HB2 -0.23 -0.13 0.11 -0.04 2.28 1.99 1x9yB1 PRO 53 HB3 -0.05 0.06 0.08 -0.04 2.02 2.08 1x9yB1 PRO 53 HG2 -0.03 0.19 -0.02 -0.04 2.03 2.12 1x9yB1 PRO 53 HG3 -0.00 0.00 -0.06 -0.04 2.03 1.93 1x9yB1 PRO 53 HD2 -0.85 0.10 0.14 -0.04 3.68 3.04 1x9yB1 PRO 53 HD3 -0.17 0.22 0.09 -0.04 3.65 3.76 1x9yB1 GLN 54 H -0.05 0.18 0.23 -0.55 8.47 8.28 1x9yB1 GLN 54 HA -0.06 0.11 0.40 -0.75 4.36 4.05 1x9yB1 GLN 54 HB2 -0.03 0.05 0.18 -0.04 2.15 2.31 1x9yB1 GLN 54 HB3 -0.03 -0.02 0.12 -0.04 2.02 2.05 1x9yB1 GLN 54 HG2 -0.02 0.03 0.02 -0.04 2.40 2.38 1x9yB1 GLN 54 HG3 -0.03 -0.00 -0.12 -0.04 2.39 2.20 1x9yB1 GLN 54 HE21 -0.02 0.05 0.01 -0.04 6.97 6.96 1x9yB1 GLN 54 HE22 -0.03 -0.02 0.01 -0.04 7.69 7.61 1x9yB1 LYS 55 H -0.07 0.07 -0.30 -0.55 8.42 7.56 1x9yB1 LYS 55 HA -0.05 0.06 0.37 -0.75 4.32 3.95 1x9yB1 LYS 55 HB2 -0.01 -0.00 0.11 -0.04 1.87 1.92 1x9yB1 LYS 55 HB3 -0.06 0.01 0.04 -0.04 1.79 1.74 1x9yB1 LYS 55 HG2 0.03 -0.03 -0.10 -0.04 1.46 1.31 1x9yB1 LYS 55 HG3 0.01 -0.03 0.04 -0.04 1.46 1.44 1x9yB1 LYS 55 HD2 0.06 0.06 0.06 -0.04 1.69 1.83 1x9yB1 LYS 55 HD3 0.17 0.08 -0.04 -0.04 1.68 1.85 1x9yB1 LYS 55 HE2 0.12 -0.13 0.01 -0.04 2.99 2.95 1x9yB1 LYS 55 HE3 0.05 -0.10 -0.00 -0.04 2.99 2.89 1x9yB1 VAL 56 H -0.26 0.20 -0.21 -0.55 8.24 7.42 1x9yB1 VAL 56 HA -0.35 0.04 0.43 -0.75 4.13 3.50 1x9yB1 VAL 56 HB -0.54 0.11 0.09 -0.04 2.12 1.74 1x9yB1 VAL 56 HG13 -0.40 0.00 -0.17 -0.04 0.97 0.36 1x9yB1 VAL 56 HG23 -1.11 0.00 -0.01 -0.04 0.95 -0.22 1x9yB1 LYS 57 H -0.16 0.51 -0.14 -0.55 8.42 8.07 1x9yB1 LYS 57 HA -0.05 0.03 0.33 -0.75 4.32 3.88 1x9yB1 LYS 57 HB2 -0.04 0.01 0.00 -0.04 1.87 1.80 1x9yB1 LYS 57 HB3 -0.07 0.07 0.11 -0.04 1.79 1.86 1x9yB1 LYS 57 HG2 -0.04 -0.01 -0.27 -0.04 1.46 1.10 1x9yB1 LYS 57 HG3 -0.00 0.01 0.00 -0.04 1.46 1.43 1x9yB1 LYS 57 HD2 -0.01 0.01 -0.01 -0.04 1.69 1.63 1x9yB1 LYS 57 HD3 -0.03 -0.03 -0.00 -0.04 1.68 1.58 1x9yB1 LYS 57 HE2 -0.01 -0.02 -0.01 -0.04 2.99 2.91 1x9yB1 LYS 57 HE3 -0.02 -0.01 -0.05 -0.04 2.99 2.87 1x9yB1 ASP 58 H -0.09 0.58 -0.23 -0.55 8.40 8.12 1x9yB1 ASP 58 HA -0.05 0.02 0.39 -0.75 4.63 4.23 1x9yB1 ASP 58 HB2 -0.05 0.10 0.14 -0.04 2.71 2.85 1x9yB1 ASP 58 HB3 -0.03 -0.04 -0.01 -0.04 2.70 2.57 1x9yB1 LEU 59 H -0.11 0.47 -0.14 -0.55 8.37 8.05 1x9yB1 LEU 59 HA -0.06 0.01 0.40 -0.75 4.35 3.94 1x9yB1 LEU 59 HB2 -0.13 0.16 0.23 -0.04 1.64 1.87 1x9yB1 LEU 59 HB3 -0.12 -0.02 -0.05 -0.04 1.64 1.40 1x9yB1 LEU 59 HG -0.03 0.01 0.04 -0.04 1.64 1.63 1x9yB1 LEU 59 HD13 0.00 0.00 -0.07 -0.04 0.93 0.83 1x9yB1 LEU 59 HD23 -0.02 -0.02 -0.01 -0.04 0.89 0.80 1x9yB1 ALA 60 H -0.24 0.66 -0.07 -0.55 8.40 8.20 1x9yB1 ALA 60 HA -0.26 -0.06 0.32 -0.75 4.34 3.58 1x9yB1 ALA 60 HB3 -0.84 0.03 0.04 -0.04 1.41 0.61 1x9yB1 GLN 61 H -0.15 0.54 -0.21 -0.55 8.47 8.10 1x9yB1 GLN 61 HA 0.07 -0.01 0.40 -0.75 4.36 4.06 1x9yB1 GLN 61 HB2 -0.06 0.23 0.18 -0.04 2.15 2.46 1x9yB1 GLN 61 HB3 0.01 0.02 0.03 -0.04 2.02 2.03 1x9yB1 GLN 61 HG2 0.02 -0.04 0.01 -0.04 2.40 2.35 1x9yB1 GLN 61 HG3 0.09 -0.05 0.07 -0.04 2.39 2.47 1x9yB1 GLN 61 HE21 -0.12 0.08 0.02 -0.04 6.97 6.91 1x9yB1 GLN 61 HE22 -0.10 -0.06 0.05 -0.04 7.69 7.53 1x9yB1 GLN 62 H -0.02 0.59 -0.12 -0.55 8.47 8.38 1x9yB1 GLN 62 HA 0.02 0.01 0.48 -0.75 4.36 4.12 1x9yB1 GLN 62 HB2 -0.02 0.23 0.24 -0.04 2.15 2.56 1x9yB1 GLN 62 HB3 -0.00 -0.05 -0.02 -0.04 2.02 1.90 1x9yB1 GLN 62 HG2 -0.01 -0.05 0.02 -0.04 2.40 2.32 1x9yB1 GLN 62 HG3 -0.00 -0.05 0.08 -0.04 2.39 2.38 1x9yB1 GLN 62 HE21 -0.01 -0.06 0.01 -0.04 6.97 6.88 1x9yB1 GLN 62 HE22 -0.01 -0.03 -0.02 -0.04 7.69 7.59 1x9yB1 GLN 63 H -0.00 0.43 -0.21 -0.55 8.47 8.15 1x9yB1 GLN 63 HA 0.03 0.14 0.87 -0.75 4.36 4.64 1x9yB1 GLN 63 HB2 -0.16 0.06 -0.05 -0.04 2.15 1.96 1x9yB1 GLN 63 HB3 0.03 -0.11 -0.05 -0.04 2.02 1.85 1x9yB1 GLN 63 HG2 -0.02 0.16 -0.05 -0.04 2.40 2.45 1x9yB1 GLN 63 HG3 -0.02 -0.06 -0.08 -0.04 2.39 2.19 1x9yB1 GLN 63 HE21 0.03 0.05 -0.06 -0.04 6.97 6.95 1x9yB1 GLN 63 HE22 0.01 -0.01 -0.09 -0.04 7.69 7.56 1x9yB1 PHE 64 H 0.20 0.78 0.09 -0.55 8.34 8.85 1x9yB1 PHE 64 HA -0.10 -0.04 0.15 -0.75 4.62 3.87 1x9yB1 PHE 64 HB2 -0.05 -0.05 -0.03 -0.04 3.15 2.98 1x9yB1 PHE 64 HB3 -0.14 0.20 0.11 -0.04 3.06 3.18 1x9yB1 PHE 64 HD2 -0.03 0.12 -0.09 -0.04 7.28 7.24 1x9yB1 PHE 64 HE2 0.06 0.02 -0.28 -0.04 7.38 7.13 1x9yB1 PHE 64 HZ 0.05 0.06 -0.01 -0.04 7.32 7.38 1x9yB1 ALA 65 H -1.10 0.24 -0.39 -0.55 8.40 6.60 1x9yB1 ALA 65 HA -0.56 0.03 0.42 -0.75 4.34 3.47 1x9yB1 ALA 65 HB3 -0.46 0.03 -6.10 -0.04 1.41 -5.16 1x9yB1 GLY 66 H -0.14 0.24 -0.19 -0.55 8.43 7.79 1x9yB1 GLY 66 HA2 -0.07 0.05 0.49 -0.51 4.01 3.97 1x9yB1 GLY 66 HA3 -0.02 0.04 0.33 -0.51 4.01 3.85 1x9yB1 TYR 67 H 0.21 0.54 -0.24 -0.55 8.29 8.25 1x9yB1 TYR 67 HA -0.09 0.01 0.32 -0.75 4.56 4.04 1x9yB1 TYR 67 HB2 -0.06 0.12 -0.08 -0.04 3.06 3.01 1x9yB1 TYR 67 HB3 -0.08 -0.04 -0.18 -0.04 2.98 2.63 1x9yB1 TYR 67 HD2 -0.05 0.02 -0.14 -0.04 7.15 6.95 1x9yB1 TYR 67 HE2 -0.00 0.10 -0.18 -0.04 6.85 6.73 1x9yB1 ALA 68 H -0.11 0.63 -0.25 -0.55 8.40 8.13 1x9yB1 ALA 68 HA -0.14 -0.02 0.31 -0.75 4.34 3.74 1x9yB1 ALA 68 HB3 -0.60 0.02 0.00 -0.04 1.41 0.79 1x9yB1 LYS 69 H -0.27 0.61 -0.10 -0.55 8.42 8.11 1x9yB1 LYS 69 HA 0.09 -0.00 0.35 -0.75 4.32 4.01 1x9yB1 LYS 69 HB2 0.09 -0.01 0.13 -0.04 1.87 2.05 1x9yB1 LYS 69 HB3 -0.04 0.10 0.18 -0.04 1.79 1.99 1x9yB1 LYS 69 HG2 0.05 -0.02 0.00 -0.04 1.46 1.46 1x9yB1 LYS 69 HG3 0.02 0.03 -0.21 -0.04 1.46 1.26 1x9yB1 LYS 69 HD2 0.15 -0.03 0.12 -0.04 1.69 1.90 1x9yB1 LYS 69 HD3 0.13 -0.03 0.03 -0.04 1.68 1.77 1x9yB1 LYS 69 HE2 0.05 0.01 -0.01 -0.04 2.99 3.00 1x9yB1 LYS 69 HE3 0.03 0.01 -0.06 -0.04 2.99 2.93 1x9yB1 ALA 70 H -0.10 0.50 -0.23 -0.55 8.40 8.03 1x9yB1 ALA 70 HA -0.05 0.05 0.39 -0.75 4.34 3.96 1x9yB1 ALA 70 HB3 -0.14 0.01 0.02 -0.04 1.41 1.26 1x9yB1 LEU 71 H -0.14 0.55 -0.20 -0.55 8.37 8.04 1x9yB1 LEU 71 HA -0.11 0.01 0.41 -0.75 4.35 3.90 1x9yB1 LEU 71 HB2 -0.27 0.00 -0.02 -0.04 1.64 1.30 1x9yB1 LEU 71 HB3 -0.52 0.09 -0.02 -0.04 1.64 1.15 1x9yB1 LEU 71 HG -0.29 0.01 -0.19 -0.04 1.64 1.12 1x9yB1 LEU 71 HD13 -0.10 -0.03 -0.08 -0.04 0.93 0.68 1x9yB1 LEU 71 HD23 -0.66 -0.00 -0.21 -0.04 0.89 -0.02 1x9yB1 ASP 72 H 0.03 0.53 -0.24 -0.55 8.40 8.17 1x9yB1 ASP 72 HA 0.21 0.00 0.29 -0.75 4.63 4.38 1x9yB1 ASP 72 HB2 0.18 0.09 0.06 -0.04 2.71 3.00 1x9yB1 ASP 72 HB3 0.16 0.11 -0.23 -0.04 2.70 2.71 1x9yB1 LYS 73 H 0.03 0.41 -0.29 -0.55 8.42 8.02 1x9yB1 LYS 73 HA 0.03 0.05 0.33 -0.75 4.32 3.98 1x9yB1 LYS 73 HB2 0.01 0.03 0.09 -0.04 1.87 1.96 1x9yB1 LYS 73 HB3 -0.02 0.06 0.08 -0.04 1.79 1.87 1x9yB1 LYS 73 HG2 -0.01 0.02 -0.18 -0.04 1.46 1.25 1x9yB1 LYS 73 HG3 0.01 -0.02 0.02 -0.04 1.46 1.43 1x9yB1 LYS 73 HD2 -0.00 -0.02 -0.04 -0.04 1.69 1.59 1x9yB1 LYS 73 HD3 -0.03 -0.02 -0.07 -0.04 1.68 1.52 1x9yB1 LYS 73 HE2 -0.01 0.02 -0.04 -0.04 2.99 2.91 1x9yB1 LYS 73 HE3 -0.00 -0.02 -0.02 -0.04 2.99 2.91 1x9yB1 GLN 74 H -0.02 0.41 -0.17 -0.55 8.47 8.14 1x9yB1 GLN 74 HA -0.01 0.02 0.33 -0.75 4.36 3.94 1x9yB1 GLN 74 HB2 -0.03 0.05 0.16 -0.04 2.15 2.28 1x9yB1 GLN 74 HB3 -0.02 -0.06 -0.04 -0.04 2.02 1.86 1x9yB1 GLN 74 HG2 -0.06 0.24 0.03 -0.04 2.40 2.56 1x9yB1 GLN 74 HG3 -0.07 -0.11 -0.09 -0.04 2.39 2.09 1x9yB1 GLN 74 HE21 -0.05 0.00 -0.10 -0.04 6.97 6.78 1x9yB1 GLN 74 HE22 -0.04 -0.00 -0.08 -0.04 7.69 7.53 1x9yB1 SER 75 H 0.04 0.67 -0.07 -0.55 8.46 8.55 1x9yB1 SER 75 HA 0.05 -0.01 0.29 -0.75 4.49 4.06 1x9yB1 SER 75 HB2 0.14 0.08 0.03 -0.04 3.95 4.16 1x9yB1 SER 75 HB3 0.11 -0.03 0.05 -0.04 3.93 4.02 1x9yB1 ASN 76 H 0.04 0.39 -1.05 -0.55 8.53 7.37 1x9yB1 ASN 76 HA 0.03 0.03 0.31 -0.75 4.76 4.38 1x9yB1 ASN 76 HB2 0.03 0.17 -0.15 -0.04 2.88 2.89 1x9yB1 ASN 76 HB3 0.02 -0.13 0.29 -0.04 2.79 2.93 1x9yB1 ASN 76 HD21 0.01 -0.04 0.02 -0.04 7.03 6.98 1x9yB1 ASN 76 HD22 0.01 -0.03 -0.03 -0.04 7.74 7.66 1x9yB1 ALA 77 H 0.07 0.78 0.01 -0.55 8.40 8.72 1x9yB1 ALA 77 HA 0.05 0.14 0.85 -0.75 4.34 4.63 1x9yB1 ALA 77 HB3 0.11 -0.02 -0.08 -0.04 1.41 1.37 1x9yB1 LYS 78 H 0.04 0.12 0.09 -0.55 8.42 8.12 1x9yB1 LYS 78 HA 0.04 0.03 0.54 -0.75 4.32 4.17 1x9yB1 LYS 78 HB2 0.02 -0.01 0.08 -0.04 1.87 1.92 1x9yB1 LYS 78 HB3 0.01 -0.01 0.14 -0.04 1.79 1.89 1x9yB1 LYS 78 HG2 -0.00 0.24 -0.18 -0.04 1.46 1.48 1x9yB1 LYS 78 HG3 0.01 -0.07 0.02 -0.04 1.46 1.38 1x9yB1 LYS 78 HD2 0.01 -0.02 -0.00 -0.04 1.69 1.64 1x9yB1 LYS 78 HD3 -0.00 -0.00 -0.01 -0.04 1.68 1.62 1x9yB1 LYS 78 HE2 -0.01 0.01 -0.05 -0.04 2.99 2.91 1x9yB1 LYS 78 HE3 0.00 -0.02 -0.02 -0.04 2.99 2.91 1x9yB1 THR 79 H 0.04 0.06 0.11 -0.55 8.28 7.95 1x9yB1 THR 79 HA 0.11 0.06 0.22 -0.75 4.39 4.02 1x9yB1 THR 79 HB -0.00 -0.01 0.01 -0.04 4.32 4.27 1x9yB1 THR 79 HG23 0.04 -0.08 0.13 -0.04 1.22 1.26 1x9yB1 GLY 80 H -0.40 0.24 0.14 -0.55 8.43 7.86 1x9yB1 GLY 80 HA2 -0.15 0.06 0.30 -0.51 4.01 3.72 1x9yB1 GLY 80 HA3 -0.20 0.10 0.35 -0.51 4.01 3.75 1x9yB1 LYS 81 H -0.15 0.15 0.14 -0.55 8.42 8.00 1x9yB1 LYS 81 HA -0.15 0.14 0.76 -0.75 4.32 4.32 1x9yB1 LYS 81 HB2 -0.03 -0.14 0.20 -0.04 1.87 1.85 1x9yB1 LYS 81 HB3 -0.01 0.09 0.05 -0.04 1.79 1.88 1x9yB1 LYS 81 HG2 -0.05 0.06 -0.02 -0.04 1.46 1.41 1x9yB1 LYS 81 HG3 -0.07 -0.05 0.07 -0.04 1.46 1.38 1x9yB1 LYS 81 HD2 -0.02 -0.03 0.04 -0.04 1.69 1.64 1x9yB1 LYS 81 HD3 -0.01 0.03 0.01 -0.04 1.68 1.67 1x9yB1 LYS 81 HE2 -0.02 0.01 -0.01 -0.04 2.99 2.93 1x9yB1 LYS 81 HE3 -0.02 0.01 0.01 -0.04 2.99 2.95 1x9yB1 TYR 82 H 0.01 0.18 0.23 -0.55 8.29 8.16 1x9yB1 TYR 82 HA 0.15 0.48 1.04 -0.75 4.56 5.48 1x9yB1 TYR 82 HB2 0.05 -0.06 0.12 -0.04 3.06 3.13 1x9yB1 TYR 82 HB3 0.26 0.02 -0.03 -0.04 2.98 3.19 1x9yB1 TYR 82 HD2 0.06 0.04 -0.07 -0.04 7.15 7.13 1x9yB1 TYR 82 HE2 0.07 0.03 -0.11 -0.04 6.85 6.80 1x9yB1 GLU 83 H 0.32 0.63 0.37 -0.55 8.60 9.38 1x9yB1 GLU 83 HA 0.27 0.13 0.78 -0.75 4.29 4.71 1x9yB1 GLU 83 HB2 0.09 -0.04 -0.10 -0.04 2.09 2.00 1x9yB1 GLU 83 HB3 0.05 0.06 -0.01 -0.04 1.99 2.04 1x9yB1 GLU 83 HG2 0.12 0.08 -0.12 -0.04 2.34 2.38 1x9yB1 GLU 83 HG3 0.12 -0.08 -0.62 -0.04 2.34 1.72 1x9yB1 LEU 84 H -0.30 0.17 0.15 -0.55 8.37 7.85 1x9yB1 LEU 84 HA -0.26 0.18 0.96 -0.75 4.35 4.48 1x9yB1 LEU 84 HB2 -0.82 -0.09 0.15 -0.04 1.64 0.84 1x9yB1 LEU 84 HB3 -0.27 0.16 0.01 -0.04 1.64 1.50 1x9yB1 LEU 84 HG -1.73 -0.10 -0.07 -0.04 1.64 -0.30 1x9yB1 LEU 84 HD13 -0.51 -0.01 -0.15 -0.04 0.93 0.22 1x9yB1 LEU 84 HD23 -0.16 0.02 -0.04 -0.04 0.89 0.67 1x9yB1 GLY 85 H 0.04 0.60 0.23 -0.55 8.43 8.75 1x9yB1 GLY 85 HA2 0.03 0.21 0.40 -0.51 4.01 4.14 1x9yB1 GLY 85 HA3 0.07 0.17 0.41 -0.51 4.01 4.15 1x9yB1 GLU 86 H 0.05 0.21 0.19 -0.55 8.60 8.50 1x9yB1 GLU 86 HA 0.05 0.05 0.63 -0.75 4.29 4.26 1x9yB1 GLU 86 HB2 0.03 0.08 0.18 -0.04 2.09 2.33 1x9yB1 GLU 86 HB3 0.03 -0.10 -0.04 -0.04 1.99 1.84 1x9yB1 GLU 86 HG2 0.01 0.14 -0.02 -0.04 2.34 2.43 1x9yB1 GLU 86 HG3 0.02 -0.01 0.10 -0.04 2.34 2.41 1x9yB1 ALA 87 H -0.17 0.06 0.14 -0.55 8.40 7.89 1x9yB1 ALA 87 HA -0.34 0.28 0.56 -0.75 4.34 4.09 1x9yB1 ALA 87 HB3 -1.00 -0.03 -0.03 -0.04 1.41 0.32 1x9yB1 PHE 88 H -0.23 0.53 0.36 -0.55 8.34 8.45 1x9yB1 PHE 88 HA -0.00 0.19 0.90 -0.75 4.62 4.96 1x9yB1 PHE 88 HB2 0.00 0.01 0.11 -0.04 3.15 3.23 1x9yB1 PHE 88 HB3 -0.02 0.02 -0.05 -0.04 3.06 2.98 1x9yB1 PHE 88 HD2 -0.01 0.14 -0.10 -0.04 7.28 7.27 1x9yB1 PHE 88 HE2 -0.02 -0.05 -0.22 -0.04 7.38 7.05 1x9yB1 PHE 88 HZ 0.05 -0.02 -0.21 -0.04 7.32 7.10 1x9yB1 LYS 89 H 0.22 0.21 0.18 -0.55 8.42 8.48 1x9yB1 LYS 89 HA -0.05 0.20 0.93 -0.75 4.32 4.66 1x9yB1 LYS 89 HB2 0.02 -0.07 0.08 -0.04 1.87 1.87 1x9yB1 LYS 89 HB3 -0.35 0.04 0.12 -0.04 1.79 1.56 1x9yB1 LYS 89 HG2 -0.19 0.06 0.00 -0.04 1.46 1.29 1x9yB1 LYS 89 HG3 -0.11 0.08 -0.22 -0.04 1.46 1.17 1x9yB1 LYS 89 HD2 0.08 -0.04 -0.12 -0.04 1.69 1.58 1x9yB1 LYS 89 HD3 0.10 -0.12 0.01 -0.04 1.68 1.63 1x9yB1 LYS 89 HE2 0.15 -0.04 -0.08 -0.04 2.99 2.98 1x9yB1 LYS 89 HE3 0.17 -0.04 -0.21 -0.04 2.99 2.87 1x9yB1 ILE 90 H -0.18 0.21 0.22 -0.55 8.25 7.95 1x9yB1 ILE 90 HA 0.04 0.34 0.96 -0.75 4.18 4.77 1x9yB1 ILE 90 HB 0.03 -0.08 0.00 -0.04 1.89 1.80 1x9yB1 ILE 90 HG12 0.13 0.07 -0.17 -0.04 1.49 1.47 1x9yB1 ILE 90 HG13 -0.25 -0.04 -0.43 -0.04 1.21 0.45 1x9yB1 ILE 90 HG23 0.23 -0.00 -0.29 -0.04 0.93 0.82 1x9yB1 ILE 90 HD13 -0.34 -0.01 -0.19 -0.04 0.88 0.30 1x9yB1 TYR 91 H 0.13 0.62 0.37 -0.55 8.29 8.86 1x9yB1 TYR 91 HA 0.01 0.19 1.22 -0.75 4.56 5.22 1x9yB1 TYR 91 HB2 -0.06 -0.03 -0.03 -0.04 3.06 2.90 1x9yB1 TYR 91 HB3 -0.03 0.06 -0.07 -0.04 2.98 2.89 1x9yB1 TYR 91 HD2 0.00 0.11 -0.21 -0.04 7.15 7.01 1x9yB1 TYR 91 HE2 0.02 0.09 -0.02 -0.04 6.85 6.90 1x9yB1 LYS 92 H 0.06 0.62 0.21 -0.55 8.42 8.75 1x9yB1 LYS 92 HA 0.06 0.31 0.90 -0.75 4.32 4.83 1x9yB1 LYS 92 HB2 0.03 -0.06 0.12 -0.04 1.87 1.92 1x9yB1 LYS 92 HB3 0.12 -0.15 0.13 -0.04 1.79 1.86 1x9yB1 LYS 92 HG2 -0.05 0.04 0.04 -0.04 1.46 1.45 1x9yB1 LYS 92 HG3 -0.12 0.03 -0.09 -0.04 1.46 1.24 1x9yB1 LYS 92 HD2 -0.17 -0.04 -0.02 -0.04 1.69 1.42 1x9yB1 LYS 92 HD3 -0.24 -0.05 0.02 -0.04 1.68 1.37 1x9yB1 LYS 92 HE2 -1.95 0.02 -0.07 -0.04 2.99 0.96 1x9yB1 LYS 92 HE3 -0.50 0.05 -0.18 -0.04 2.99 2.32 1x9yB1 PHE 93 H 0.41 0.21 0.18 -0.55 8.34 8.59 1x9yB1 PHE 93 HA 0.04 0.12 0.32 -0.75 4.62 4.36 1x9yB1 PHE 93 HB2 0.02 -0.02 0.12 -0.04 3.15 3.22 1x9yB1 PHE 93 HB3 -0.00 0.21 0.04 -0.04 3.06 3.26 1x9yB1 PHE 93 HD2 -0.01 -0.01 -0.29 -0.04 7.28 6.93 1x9yB1 PHE 93 HE2 -0.18 0.02 -0.31 -0.04 7.38 6.86 1x9yB1 PHE 93 HZ -0.74 0.02 -0.23 -0.04 7.32 6.32 1x9yB1 ASN 94 H 0.16 0.02 -0.33 -0.55 8.53 7.84 1x9yB1 ASN 94 HA 0.09 0.13 0.58 -0.75 4.76 4.80 1x9yB1 ASN 94 HB2 0.06 0.05 0.14 -0.04 2.88 3.09 1x9yB1 ASN 94 HB3 0.10 -0.01 0.07 -0.04 2.79 2.91 1x9yB1 ASN 94 HD21 0.01 0.03 -0.02 -0.04 7.03 7.01 1x9yB1 ASN 94 HD22 0.05 0.03 0.01 -0.04 7.74 7.79 1x9yB1 GLY 95 H 0.07 0.50 -0.54 -0.55 8.43 7.92 1x9yB1 GLY 95 HA2 0.03 0.05 0.19 -0.51 4.01 3.77 1x9yB1 GLY 95 HA3 0.03 0.21 0.54 -0.51 4.01 4.28 1x9yB1 GLU 96 H 0.06 -0.06 -0.30 -0.55 8.60 7.75 1x9yB1 GLU 96 HA 0.05 0.11 0.44 -0.75 4.29 4.13 1x9yB1 GLU 96 HB2 -0.01 0.02 0.02 -0.04 2.09 2.08 1x9yB1 GLU 96 HB3 -0.03 -0.14 0.03 -0.04 1.99 1.81 1x9yB1 GLU 96 HG2 -0.03 0.11 -0.24 -0.04 2.34 2.14 1x9yB1 GLU 96 HG3 -0.01 0.03 0.01 -0.04 2.34 2.33 1x9yB1 GLU 97 H 0.05 0.14 0.19 -0.55 8.60 8.44 1x9yB1 GLU 97 HA -0.18 0.16 0.89 -0.75 4.29 4.40 1x9yB1 GLU 97 HB2 0.17 0.01 0.10 -0.04 2.09 2.33 1x9yB1 GLU 97 HB3 -0.01 -0.04 0.13 -0.04 1.99 2.03 1x9yB1 GLU 97 HG2 -0.25 0.31 -0.11 -0.04 2.34 2.25 1x9yB1 GLU 97 HG3 -0.66 -0.03 0.06 -0.04 2.34 1.67 1x9yB1 ASP 98 H -0.25 0.71 0.37 -0.55 8.40 8.69 1x9yB1 ASP 98 HA 0.01 -0.04 0.38 -0.75 4.63 4.23 1x9yB1 ASP 98 HB2 0.05 -0.05 -0.02 -0.04 2.71 2.66 1x9yB1 ASP 98 HB3 -0.02 -0.02 0.21 -0.04 2.70 2.82 1x9yB1 ASN 99 H 0.03 0.08 0.15 -0.55 8.53 8.25 1x9yB1 ASN 99 HA -0.12 0.17 0.45 -0.75 4.76 4.50 1x9yB1 ASN 99 HB2 -0.04 0.00 0.16 -0.04 2.88 2.96 1x9yB1 ASN 99 HB3 -0.01 0.04 0.13 -0.04 2.79 2.90 1x9yB1 ASN 99 HD21 0.16 -0.04 -0.12 -0.04 7.03 6.98 1x9yB1 ASN 99 HD22 0.05 0.05 -0.00 -0.04 7.74 7.79 1x9yB1 SER 100 H -0.21 -0.03 -0.50 -0.55 8.46 7.17 1x9yB1 SER 100 HA -0.23 0.29 1.08 -0.75 4.49 4.88 1x9yB1 SER 100 HB2 -0.53 -0.10 -0.12 -0.04 3.95 3.16 1x9yB1 SER 100 HB3 -0.57 0.11 0.00 -0.04 3.93 3.43 1x9yB1 TYR 101 H -0.22 0.53 0.32 -0.55 8.29 8.37 1x9yB1 TYR 101 HA -0.26 0.25 0.93 -0.75 4.56 4.73 1x9yB1 TYR 101 HB2 -0.16 -0.08 0.11 -0.04 3.06 2.89 1x9yB1 TYR 101 HB3 -0.30 0.03 -0.04 -0.04 2.98 2.63 1x9yB1 TYR 101 HD2 -0.17 0.04 -0.07 -0.04 7.15 6.92 1x9yB1 TYR 101 HE2 0.01 0.07 -0.04 -0.04 6.85 6.84 1x9yB1 TYR 102 H -0.27 0.58 0.23 -0.55 8.29 8.28 1x9yB1 TYR 102 HA -0.13 0.26 1.02 -0.75 4.56 4.95 1x9yB1 TYR 102 HB2 -1.85 0.01 0.03 -0.04 3.06 1.20 1x9yB1 TYR 102 HB3 -0.43 0.01 -0.14 -0.04 2.98 2.37 1x9yB1 TYR 102 HD2 -0.22 0.13 -0.15 -0.04 7.15 6.86 1x9yB1 TYR 102 HE2 -0.25 -0.00 -0.20 -0.04 6.85 6.36 1x9yB1 TYR 103 H 0.20 0.71 0.28 -0.55 8.29 8.94 1x9yB1 TYR 103 HA 0.07 0.26 0.83 -0.75 4.56 4.97 1x9yB1 TYR 103 HB2 -0.02 -0.08 0.12 -0.04 3.06 3.03 1x9yB1 TYR 103 HB3 -0.04 0.13 -0.09 -0.04 2.98 2.95 1x9yB1 TYR 103 HD2 -0.08 0.23 -0.11 -0.04 7.15 7.15 1x9yB1 TYR 103 HE2 -0.11 -0.01 -0.09 -0.04 6.85 6.60 1x9yB1 PRO 104 HA 0.23 0.12 0.60 -0.51 4.44 4.88 1x9yB1 PRO 104 HB2 0.11 0.05 0.07 -0.04 2.28 2.48 1x9yB1 PRO 104 HB3 0.12 0.00 0.03 -0.04 2.02 2.14 1x9yB1 PRO 104 HG2 0.14 0.01 0.12 -0.04 2.03 2.26 1x9yB1 PRO 104 HG3 0.35 -0.01 -0.03 -0.04 2.03 2.29 1x9yB1 PRO 104 HD2 0.17 0.04 -0.17 -0.04 3.68 3.68 1x9yB1 PRO 104 HD3 0.27 0.27 0.06 -0.04 3.65 4.20 1x9yB1 VAL 105 H 0.18 0.65 0.28 -0.55 8.24 8.81 1x9yB1 VAL 105 HA 0.15 0.24 0.93 -0.75 4.13 4.69 1x9yB1 VAL 105 HB 0.29 -0.15 0.02 -0.04 2.12 2.24 1x9yB1 VAL 105 HG13 0.30 -0.00 -0.20 -0.04 0.97 1.03 1x9yB1 VAL 105 HG23 0.20 0.01 -0.21 -0.04 0.95 0.91 1x9yB1 ILE 106 H 0.14 0.80 0.26 -0.55 8.25 8.90 1x9yB1 ILE 106 HA 0.09 0.24 0.82 -0.75 4.18 4.57 1x9yB1 ILE 106 HB 0.09 -0.06 -0.08 -0.04 1.89 1.80 1x9yB1 ILE 106 HG12 0.06 -0.03 -0.38 -0.04 1.49 1.09 1x9yB1 ILE 106 HG13 0.07 -0.02 -0.37 -0.04 1.21 0.85 1x9yB1 ILE 106 HG23 0.05 -0.04 -0.53 -0.04 0.93 0.37 1x9yB1 ILE 106 HD13 0.04 0.06 -0.21 -0.04 0.88 0.73 1x9yB1 LYS 107 H 0.07 0.92 0.22 -0.55 8.42 9.08 1x9yB1 LYS 107 HA 0.09 0.42 0.96 -0.75 4.32 5.04 1x9yB1 LYS 107 HB2 0.22 -0.05 -0.17 -0.04 1.87 1.83 1x9yB1 LYS 107 HB3 0.04 0.03 0.09 -0.04 1.79 1.91 1x9yB1 LYS 107 HG2 -0.05 -0.02 -0.29 -0.04 1.46 1.06 1x9yB1 LYS 107 HG3 -0.13 -0.08 -0.27 -0.04 1.46 0.94 1x9yB1 LYS 107 HD2 0.12 -0.05 -0.16 -0.04 1.69 1.56 1x9yB1 LYS 107 HD3 0.02 0.00 -0.13 -0.04 1.68 1.53 1x9yB1 LYS 107 HE2 -0.02 0.16 -0.35 -0.04 2.99 2.74 1x9yB1 LYS 107 HE3 0.11 -0.20 -0.27 -0.04 2.99 2.58 1x9yB1 ASP 108 H -0.01 0.69 0.25 -0.55 8.40 8.79 1x9yB1 ASP 108 HA -0.01 0.00 0.36 -0.75 4.63 4.23 1x9yB1 ASP 108 HB2 -0.02 0.18 -0.01 -0.04 2.71 2.82 1x9yB1 ASP 108 HB3 -0.02 0.02 0.23 -0.04 2.70 2.89 1x9yB1 GLY 109 H 0.03 0.08 -0.36 -0.55 8.43 7.63 1x9yB1 GLY 109 HA2 0.02 0.00 0.21 -0.51 4.01 3.73 1x9yB1 GLY 109 HA3 0.01 0.15 0.46 -0.51 4.01 4.12 1x9yB1 LYS 110 H 0.01 0.56 -0.53 -0.55 8.42 7.91 1x9yB1 LYS 110 HA 0.00 0.17 0.89 -0.75 4.32 4.64 1x9yB1 LYS 110 HB2 -0.01 0.08 0.03 -0.04 1.87 1.94 1x9yB1 LYS 110 HB3 -0.01 0.02 -0.08 -0.04 1.79 1.68 1x9yB1 LYS 110 HG2 -0.00 0.00 -0.07 -0.04 1.46 1.35 1x9yB1 LYS 110 HG3 -0.00 0.06 -0.11 -0.04 1.46 1.36 1x9yB1 LYS 110 HD2 -0.01 0.02 -0.02 -0.04 1.69 1.64 1x9yB1 LYS 110 HD3 -0.01 -0.02 -0.04 -0.04 1.68 1.57 1x9yB1 LYS 110 HE2 -0.01 -0.01 -0.03 -0.04 2.99 2.90 1x9yB1 LYS 110 HE3 -0.01 0.03 -0.01 -0.04 2.99 2.96 1x9yB1 ILE 111 H 0.00 0.18 0.11 -0.55 8.25 7.99 1x9yB1 ILE 111 HA 0.04 0.13 0.53 -0.75 4.18 4.12 1x9yB1 ILE 111 HB 0.01 -0.01 0.15 -0.04 1.89 2.00 1x9yB1 ILE 111 HG12 0.04 0.03 -0.18 -0.04 1.49 1.35 1x9yB1 ILE 111 HG13 0.01 0.00 -0.02 -0.04 1.21 1.17 1x9yB1 ILE 111 HG23 0.06 -0.03 -0.10 -0.04 0.93 0.82 1x9yB1 ILE 111 HD13 -0.00 0.00 -0.18 -0.04 0.88 0.66 1x9yB1 VAL 112 H -0.02 0.45 0.38 -0.55 8.24 8.50 1x9yB1 VAL 112 HA -0.13 0.18 0.94 -0.75 4.13 4.37 1x9yB1 VAL 112 HB -0.61 -0.03 -0.02 -0.04 2.12 1.42 1x9yB1 VAL 112 HG13 -0.10 0.03 -0.22 -0.04 0.97 0.65 1x9yB1 VAL 112 HG23 -0.34 0.02 -0.09 -0.04 0.95 0.49 1x9yB1 TYR 113 H 0.07 0.33 0.29 -0.55 8.29 8.43 1x9yB1 TYR 113 HA 0.10 0.15 0.86 -0.75 4.56 4.93 1x9yB1 TYR 113 HB2 0.10 -0.05 -0.04 -0.04 3.06 3.03 1x9yB1 TYR 113 HB3 0.10 0.03 0.11 -0.04 2.98 3.19 1x9yB1 TYR 113 HD2 0.07 -0.03 -0.13 -0.04 7.15 7.02 1x9yB1 TYR 113 HE2 0.07 0.02 -0.14 -0.04 6.85 6.76 1x9yB1 THR 114 H 0.29 0.68 0.35 -0.55 8.28 9.05 1x9yB1 THR 114 HA 0.26 0.25 0.92 -0.75 4.39 5.06 1x9yB1 THR 114 HB 0.37 -0.18 -0.02 -0.04 4.32 4.45 1x9yB1 THR 114 HG23 0.43 -0.01 -0.33 -0.04 1.22 1.27 1x9yB1 LEU 115 H 0.19 0.72 0.24 -0.55 8.37 8.99 1x9yB1 LEU 115 HA 0.05 0.26 1.03 -0.75 4.35 4.94 1x9yB1 LEU 115 HB2 0.07 -0.02 0.03 -0.04 1.64 1.68 1x9yB1 LEU 115 HB3 0.06 -0.04 0.14 -0.04 1.64 1.75 1x9yB1 LEU 115 HG -0.16 0.04 -0.10 -0.04 1.64 1.38 1x9yB1 LEU 115 HD13 -0.22 0.01 -0.16 -0.04 0.93 0.52 1x9yB1 LEU 115 HD23 -0.16 -0.03 -0.06 -0.04 0.89 0.60 1x9yB1 THR 116 H -0.00 0.67 0.33 -0.55 8.28 8.72 1x9yB1 THR 116 HA -0.19 0.32 1.07 -0.75 4.39 4.83 1x9yB1 THR 116 HB -0.04 -0.06 0.03 -0.04 4.32 4.21 1x9yB1 THR 116 HG23 -0.40 -0.00 -0.28 -0.04 1.22 0.49 1x9yB1 LEU 117 H -0.17 0.66 0.33 -0.55 8.37 8.64 1x9yB1 LEU 117 HA 0.00 0.38 0.99 -0.75 4.35 4.97 1x9yB1 LEU 117 HB2 0.02 -0.01 0.22 -0.04 1.64 1.83 1x9yB1 LEU 117 HB3 -0.07 -0.01 0.01 -0.04 1.64 1.53 1x9yB1 LEU 117 HG -0.07 -0.00 -0.05 -0.04 1.64 1.48 1x9yB1 LEU 117 HD13 -0.12 0.01 -0.11 -0.04 0.93 0.67 1x9yB1 LEU 117 HD23 -0.09 0.04 -0.31 -0.04 0.89 0.49 1x9yB1 SER 118 H 0.09 0.39 0.20 -0.55 8.46 8.60 1x9yB1 SER 118 HA 0.03 0.23 0.81 -0.75 4.49 4.80 1x9yB1 SER 118 HB2 0.00 0.01 -0.15 -0.04 3.95 3.77 1x9yB1 SER 118 HB3 -0.15 0.04 -0.04 -0.04 3.93 3.74 1x9yB1 PRO 119 HA -0.32 0.20 0.45 -0.51 4.44 4.26 1x9yB1 PRO 119 HB2 -0.03 -0.04 -0.09 -0.04 2.28 2.07 1x9yB1 PRO 119 HB3 -0.11 0.01 -0.12 -0.04 2.02 1.76 1x9yB1 PRO 119 HG2 -0.05 0.03 -0.04 -0.04 2.03 1.92 1x9yB1 PRO 119 HG3 -0.16 0.13 -0.02 -0.04 2.03 1.94 1x9yB1 PRO 119 HD2 -0.09 0.03 0.03 -0.04 3.68 3.61 1x9yB1 PRO 119 HD3 -0.10 0.26 0.07 -0.04 3.65 3.84 1x9yB1 LYS 120 H -0.11 0.57 0.28 -0.55 8.42 8.60 1x9yB1 LYS 120 HA 0.03 0.09 0.44 -0.75 4.32 4.13 1x9yB1 LYS 120 HB2 -0.00 0.02 -0.31 -0.04 1.87 1.53 1x9yB1 LYS 120 HB3 -0.01 -0.07 0.01 -0.04 1.79 1.68 1x9yB1 LYS 120 HG2 0.02 0.03 -0.12 -0.04 1.46 1.35 1x9yB1 LYS 120 HG3 0.04 -0.05 -0.01 -0.04 1.46 1.40 1x9yB1 LYS 120 HD2 0.04 0.09 -0.26 -0.04 1.69 1.52 1x9yB1 LYS 120 HD3 0.02 -0.01 -0.12 -0.04 1.68 1.53 1x9yB1 LYS 120 HE2 0.02 0.19 -0.27 -0.04 2.99 2.89 1x9yB1 LYS 120 HE3 0.05 -0.10 -0.19 -0.04 2.99 2.71 1x9yB1 ASN 121 H -0.02 0.11 0.05 -0.55 8.53 8.12 1x9yB1 ASN 121 HA 0.04 0.19 0.77 -0.75 4.76 5.00 1x9yB1 ASN 121 HB2 0.00 -0.04 0.00 -0.04 2.88 2.80 1x9yB1 ASN 121 HB3 0.02 -0.04 0.14 -0.04 2.79 2.86 1x9yB1 ASN 121 HD21 0.02 0.30 0.02 -0.04 7.03 7.32 1x9yB1 ASN 121 HD22 0.03 -0.07 0.11 -0.04 7.74 7.77 1x9yB1 LYS 122 H 0.03 0.22 0.08 -0.55 8.42 8.20 1x9yB1 LYS 122 HA 0.03 0.11 0.32 -0.75 4.32 4.03 1x9yB1 LYS 122 HB2 0.03 -0.04 0.15 -0.04 1.87 1.96 1x9yB1 LYS 122 HB3 0.02 0.08 -0.07 -0.04 1.79 1.77 1x9yB1 LYS 122 HG2 0.03 0.03 0.04 -0.04 1.46 1.53 1x9yB1 LYS 122 HG3 0.05 -0.01 0.03 -0.04 1.46 1.50 1x9yB1 LYS 122 HD2 0.04 -0.01 0.01 -0.04 1.69 1.69 1x9yB1 LYS 122 HD3 0.02 0.03 0.00 -0.04 1.68 1.69 1x9yB1 LYS 122 HE2 0.03 0.04 0.05 -0.04 2.99 3.07 1x9yB1 LYS 122 HE3 0.06 -0.03 0.01 -0.04 2.99 2.99 1x9yB1 ASP 123 H 0.01 0.09 -0.14 -0.55 8.40 7.81 1x9yB1 ASP 123 HA -0.00 0.10 0.34 -0.75 4.63 4.32 1x9yB1 ASP 123 HB2 -0.00 0.01 0.08 -0.04 2.71 2.75 1x9yB1 ASP 123 HB3 -0.01 -0.02 -0.04 -0.04 2.70 2.59 1x9yB1 ASP 124 H -0.02 0.36 -0.59 -0.55 8.40 7.61 1x9yB1 ASP 124 HA -0.04 0.06 0.58 -0.75 4.63 4.47 1x9yB1 ASP 124 HB2 -0.06 0.21 0.11 -0.04 2.71 2.92 1x9yB1 ASP 124 HB3 -0.13 0.05 0.12 -0.04 2.70 2.70 1x9yB1 LEU 125 H -0.01 0.57 -0.05 -0.55 8.37 8.33 1x9yB1 LEU 125 HA -0.02 0.08 0.46 -0.75 4.35 4.12 1x9yB1 LEU 125 HB2 0.01 0.11 0.09 -0.04 1.64 1.80 1x9yB1 LEU 125 HB3 0.01 -0.01 0.11 -0.04 1.64 1.71 1x9yB1 LEU 125 HG 0.01 -0.01 -0.03 -0.04 1.64 1.58 1x9yB1 LEU 125 HD13 0.04 -0.02 -0.02 -0.04 0.93 0.88 1x9yB1 LEU 125 HD23 0.03 0.00 -0.05 -0.04 0.89 0.83 1x9yB1 ASN 126 H -0.01 0.12 -0.58 -0.55 8.53 7.52 1x9yB1 ASN 126 HA -0.00 0.14 0.73 -0.75 4.76 4.88 1x9yB1 ASN 126 HB2 -0.00 0.10 0.04 -0.04 2.88 2.98 1x9yB1 ASN 126 HB3 -0.00 -0.05 0.05 -0.04 2.79 2.76 1x9yB1 ASN 126 HD21 0.00 -0.03 -0.05 -0.04 7.03 6.91 1x9yB1 ASN 126 HD22 0.00 -0.01 -0.00 -0.04 7.74 7.68 1x9yB1 LYS 127 H -0.02 0.13 -0.12 -0.55 8.42 7.85 1x9yB1 LYS 127 HA -0.00 0.08 0.57 -0.75 4.32 4.22 1x9yB1 LYS 127 HB2 -0.04 0.08 0.05 -0.04 1.87 1.92 1x9yB1 LYS 127 HB3 -0.01 -0.16 0.07 -0.04 1.79 1.65 1x9yB1 LYS 127 HG2 -0.01 -0.00 -0.03 -0.04 1.46 1.38 1x9yB1 LYS 127 HG3 -0.02 0.10 0.11 -0.04 1.46 1.61 1x9yB1 LYS 127 HD2 -0.04 -0.12 -0.02 -0.04 1.69 1.47 1x9yB1 LYS 127 HD3 -0.02 0.08 -0.17 -0.04 1.68 1.53 1x9yB1 LYS 127 HE2 -0.01 0.01 -0.05 -0.04 2.99 2.90 1x9yB1 LYS 127 HE3 -0.02 0.04 -0.15 -0.04 2.99 2.82 1x9yB1 SER 128 H 0.01 0.02 0.16 -0.55 8.46 8.10 1x9yB1 SER 128 HA 0.02 0.29 0.69 -0.75 4.49 4.73 1x9yB1 SER 128 HB2 0.03 0.00 0.17 -0.04 3.95 4.11 1x9yB1 SER 128 HB3 0.02 0.12 0.11 -0.04 3.93 4.14 1x9yB1 LYS 129 H 0.06 0.20 0.16 -0.55 8.42 8.29 1x9yB1 LYS 129 HA 0.17 0.16 0.32 -0.75 4.32 4.22 1x9yB1 LYS 129 HB2 0.12 -0.06 0.05 -0.04 1.87 1.93 1x9yB1 LYS 129 HB3 0.25 0.05 0.04 -0.04 1.79 2.09 1x9yB1 LYS 129 HG2 0.13 0.10 0.05 -0.04 1.46 1.70 1x9yB1 LYS 129 HG3 0.08 -0.06 0.12 -0.04 1.46 1.57 1x9yB1 LYS 129 HD2 0.21 0.06 -0.02 -0.04 1.69 1.90 1x9yB1 LYS 129 HD3 0.08 0.04 0.00 -0.04 1.68 1.76 1x9yB1 LYS 129 HE2 0.08 -0.03 0.01 -0.04 2.99 3.01 1x9yB1 LYS 129 HE3 0.11 -0.06 -0.03 -0.04 2.99 2.97 1x9yB1 GLU 130 H 0.07 -0.02 -0.29 -0.55 8.60 7.81 1x9yB1 GLU 130 HA 0.07 0.10 0.60 -0.75 4.29 4.31 1x9yB1 GLU 130 HB2 0.04 -0.02 0.02 -0.04 2.09 2.08 1x9yB1 GLU 130 HB3 0.03 0.03 0.03 -0.04 1.99 2.04 1x9yB1 GLU 130 HG2 0.05 -0.06 0.01 -0.04 2.34 2.29 1x9yB1 GLU 130 HG3 0.03 0.05 0.01 -0.04 2.34 2.38 1x9yB1 ASP 131 H 0.04 -0.01 -0.18 -0.55 8.40 7.70 1x9yB1 ASP 131 HA 0.03 0.22 0.81 -0.75 4.63 4.94 1x9yB1 ASP 131 HB2 0.01 -0.14 0.11 -0.04 2.71 2.64 1x9yB1 ASP 131 HB3 0.01 0.03 0.07 -0.04 2.70 2.77 1x9yB1 MET 132 H -0.00 0.52 -0.05 -0.55 8.47 8.39 1x9yB1 MET 132 HA -0.07 -0.03 0.44 -0.75 4.52 4.11 1x9yB1 MET 132 HB2 -0.24 -0.11 0.10 -0.04 2.15 1.87 1x9yB1 MET 132 HB3 -0.11 0.08 -0.01 -0.04 2.03 1.95 1x9yB1 MET 132 HG2 -0.11 0.07 -0.09 -0.04 2.63 2.46 1x9yB1 MET 132 HG3 -0.91 -0.04 -0.40 -0.04 2.56 1.17 1x9yB1 MET 132 HE3 -0.04 0.02 -0.27 -0.04 2.10 1.77 1x9yB1 ASN 133 H -0.12 0.01 0.20 -0.55 8.53 8.08 1x9yB1 ASN 133 HA 0.03 0.19 0.70 -0.75 4.76 4.93 1x9yB1 ASN 133 HB2 -0.04 -0.16 0.13 -0.04 2.88 2.77 1x9yB1 ASN 133 HB3 0.00 0.06 0.02 -0.04 2.79 2.83 1x9yB1 ASN 133 HD21 -0.01 0.05 0.00 -0.04 7.03 7.03 1x9yB1 ASN 133 HD22 -0.02 -0.11 0.03 -0.04 7.74 7.60 1x9yB1 TYR 134 H 0.18 0.21 0.13 -0.55 8.29 8.26 1x9yB1 TYR 134 HA 0.00 0.29 1.08 -0.75 4.56 5.18 1x9yB1 TYR 134 HB2 -0.02 -0.04 0.00 -0.04 3.06 2.96 1x9yB1 TYR 134 HB3 -0.02 0.07 -0.08 -0.04 2.98 2.91 1x9yB1 TYR 134 HD2 0.00 -0.03 -0.34 -0.04 7.15 6.73 1x9yB1 TYR 134 HE2 0.09 0.16 -0.10 -0.04 6.85 6.95 1x9yB1 SER 135 H 0.09 0.65 0.21 -0.55 8.46 8.85 1x9yB1 SER 135 HA 0.08 0.12 0.90 -0.75 4.49 4.83 1x9yB1 SER 135 HB2 0.10 -0.07 0.11 -0.04 3.95 4.05 1x9yB1 SER 135 HB3 0.07 -0.03 0.08 -0.04 3.93 4.00 1x9yB1 VAL 136 H 0.07 0.09 0.21 -0.55 8.24 8.07 1x9yB1 VAL 136 HA -0.09 0.31 1.06 -0.75 4.13 4.65 1x9yB1 VAL 136 HB -0.18 -0.06 0.08 -0.04 2.12 1.93 1x9yB1 VAL 136 HG13 -0.80 0.00 -0.23 -0.04 0.97 -0.10 1x9yB1 VAL 136 HG23 -0.10 0.02 -0.19 -0.04 0.95 0.63 1x9yB1 LYS 137 H -0.08 0.62 0.34 -0.55 8.42 8.74 1x9yB1 LYS 137 HA 0.21 0.38 1.20 -0.75 4.32 5.36 1x9yB1 LYS 137 HB2 0.13 -0.05 -0.05 -0.04 1.87 1.86 1x9yB1 LYS 137 HB3 0.05 0.03 0.10 -0.04 1.79 1.92 1x9yB1 LYS 137 HG2 0.07 -0.01 -0.38 -0.04 1.46 1.11 1x9yB1 LYS 137 HG3 0.11 0.04 -0.02 -0.04 1.46 1.55 1x9yB1 LYS 137 HD2 0.16 -0.02 -0.10 -0.04 1.69 1.69 1x9yB1 LYS 137 HD3 0.07 -0.03 -0.12 -0.04 1.68 1.56 1x9yB1 LYS 137 HE2 0.06 -0.02 -0.20 -0.04 2.99 2.79 1x9yB1 LYS 137 HE3 0.11 -0.01 -0.12 -0.04 2.99 2.93 1x9yB1 ILE 138 H 0.16 0.51 0.41 -0.55 8.25 8.78 1x9yB1 ILE 138 HA 0.06 0.32 1.13 -0.75 4.18 4.95 1x9yB1 ILE 138 HB 0.18 -0.04 -0.14 -0.04 1.89 1.85 1x9yB1 ILE 138 HG12 -0.25 0.01 -0.16 -0.04 1.49 1.06 1x9yB1 ILE 138 HG13 0.05 0.06 -0.01 -0.04 1.21 1.27 1x9yB1 ILE 138 HG23 0.03 0.03 -0.06 -0.04 0.93 0.90 1x9yB1 ILE 138 HD13 -0.02 0.02 -0.34 -0.04 0.88 0.50 1x9yB1 SER 139 H 0.10 0.56 0.40 -0.55 8.46 8.97 1x9yB1 SER 139 HA -0.00 0.31 0.58 -0.75 4.49 4.63 1x9yB1 SER 139 HB2 0.10 -0.02 0.16 -0.04 3.95 4.16 1x9yB1 SER 139 HB3 0.03 0.10 -0.08 -0.04 3.93 3.95 1x9yB1 ASN 140 H 0.18 0.22 0.12 -0.55 8.53 8.51 1x9yB1 ASN 140 HA 0.34 0.25 0.84 -0.75 4.76 5.43 1x9yB1 ASN 140 HB2 0.18 0.08 0.19 -0.04 2.88 3.29 1x9yB1 ASN 140 HB3 0.28 0.09 0.09 -0.04 2.79 3.21 1x9yB1 ASN 140 HD21 0.13 -0.11 0.00 -0.04 7.03 7.02 1x9yB1 ASN 140 HD22 0.13 0.14 -0.00 -0.04 7.74 7.96 1x9yB1 PHE 141 H 0.31 0.07 -0.47 -0.55 8.34 7.69 1x9yB1 PHE 141 HA 0.03 -0.02 0.29 -0.75 4.62 4.16 1x9yB1 PHE 141 HB2 0.07 0.00 -0.03 -0.04 3.15 3.15 1x9yB1 PHE 141 HB3 0.10 0.04 -0.05 -0.04 3.06 3.12 1x9yB1 PHE 141 HD2 -0.01 -0.00 -0.16 -0.04 7.28 7.06 1x9yB1 PHE 141 HE2 -0.83 0.00 -0.18 -0.04 7.38 6.33 1x9yB1 PHE 141 HZ -1.67 -0.01 -0.17 -0.04 7.32 5.43 1x9yB1 ILE 142 H -0.26 0.12 0.15 -0.55 8.25 7.71 1x9yB1 ILE 142 HA -0.25 0.00 0.31 -0.75 4.18 3.49 1x9yB1 ILE 142 HB -0.27 -0.04 0.09 -0.04 1.89 1.63 1x9yB1 ILE 142 HG12 -1.31 -0.06 -0.67 -0.04 1.49 -0.59 1x9yB1 ILE 142 HG13 -0.18 0.14 -0.23 -0.04 1.21 0.89 1x9yB1 ILE 142 HG23 -0.84 0.00 -0.13 -0.04 0.93 -0.08 1x9yB1 ILE 142 HD13 -0.06 -0.01 -0.17 -0.04 0.88 0.61 1x9yB1 ALA 143 H 0.01 0.51 -0.72 -0.55 8.40 7.64 1x9yB1 ALA 143 HA 0.04 0.07 0.23 -0.75 4.34 3.93 1x9yB1 ALA 143 HB3 0.07 -0.00 -0.41 -0.04 1.41 1.02 1x9yB1 LYS 144 H -0.01 0.14 -0.10 -0.55 8.42 7.89 1x9yB1 LYS 144 HA -0.01 0.15 0.40 -0.75 4.32 4.10 1x9yB1 LYS 144 HB2 -0.03 -0.07 0.08 -0.04 1.87 1.81 1x9yB1 LYS 144 HB3 -0.03 0.04 -0.09 -0.04 1.79 1.67 1x9yB1 LYS 144 HG2 -0.00 0.03 0.05 -0.04 1.46 1.49 1x9yB1 LYS 144 HG3 -0.00 0.01 0.03 -0.04 1.46 1.46 1x9yB1 LYS 144 HD2 -0.01 0.03 0.01 -0.04 1.69 1.69 1x9yB1 LYS 144 HD3 -0.01 -0.01 0.01 -0.04 1.68 1.62 1x9yB1 LYS 144 HE2 -0.01 -0.06 0.11 -0.04 2.99 2.98 1x9yB1 LYS 144 HE3 -0.02 0.07 0.00 -0.04 2.99 3.00 1x9yB1 ASP 145 H -0.07 0.02 -0.40 -0.55 8.40 7.40 1x9yB1 ASP 145 HA -0.04 0.07 0.37 -0.75 4.63 4.27 1x9yB1 ASP 145 HB2 -0.15 0.12 0.04 -0.04 2.71 2.67 1x9yB1 ASP 145 HB3 -0.31 0.01 -0.03 -0.04 2.70 2.33 1x9yB1 LEU 146 H 0.03 0.47 -0.21 -0.55 8.37 8.12 1x9yB1 LEU 146 HA 0.05 0.04 0.38 -0.75 4.35 4.07 1x9yB1 LEU 146 HB2 -0.01 0.11 0.09 -0.04 1.64 1.80 1x9yB1 LEU 146 HB3 -0.07 -0.04 -0.07 -0.04 1.64 1.43 1x9yB1 LEU 146 HG 0.03 0.06 -0.04 -0.04 1.64 1.65 1x9yB1 LEU 146 HD13 -0.22 -0.01 -0.11 -0.04 0.93 0.55 1x9yB1 LEU 146 HD23 -0.37 -0.01 -0.10 -0.04 0.89 0.36 1x9yB1 ASP 147 H 0.00 0.61 -0.12 -0.55 8.40 8.35 1x9yB1 ASP 147 HA -0.01 -0.04 0.45 -0.75 4.63 4.28 1x9yB1 ASP 147 HB2 -0.00 0.23 0.20 -0.04 2.71 3.10 1x9yB1 ASP 147 HB3 -0.01 0.05 0.18 -0.04 2.70 2.88 1x9yB1 GLN 148 H 0.00 0.52 -0.17 -0.55 8.47 8.27 1x9yB1 GLN 148 HA -0.00 0.02 0.38 -0.75 4.36 4.00 1x9yB1 GLN 148 HB2 0.01 0.13 0.09 -0.04 2.15 2.33 1x9yB1 GLN 148 HB3 -0.00 -0.05 0.02 -0.04 2.02 1.95 1x9yB1 GLN 148 HG2 -0.01 -0.04 0.05 -0.04 2.40 2.36 1x9yB1 GLN 148 HG3 -0.01 0.08 0.07 -0.04 2.39 2.50 1x9yB1 GLN 148 HE21 -0.03 -0.04 -0.06 -0.04 6.97 6.80 1x9yB1 GLN 148 HE22 -0.02 0.00 -0.07 -0.04 7.69 7.57 1x9yB1 ILE 149 H 0.01 0.36 -0.52 -0.55 8.25 7.54 1x9yB1 ILE 149 HA -0.01 0.15 0.99 -0.75 4.18 4.55 1x9yB1 ILE 149 HB -0.02 -0.07 0.15 -0.04 1.89 1.91 1x9yB1 ILE 149 HG12 0.04 0.21 0.04 -0.04 1.49 1.73 1x9yB1 ILE 149 HG13 -0.04 0.05 -0.16 -0.04 1.21 1.02 1x9yB1 ILE 149 HG23 0.02 -0.01 -0.16 -0.04 0.93 0.74 1x9yB1 ILE 149 HD13 -0.00 -0.04 -0.09 -0.04 0.88 0.71 1x9yB1 LYS 150 H -0.01 0.46 -0.08 -0.55 8.42 8.23 1x9yB1 LYS 150 HA -0.04 0.04 0.44 -0.75 4.32 4.01 1x9yB1 LYS 150 HB2 -0.02 -0.07 0.08 -0.04 1.87 1.82 1x9yB1 LYS 150 HB3 -0.02 0.04 0.13 -0.04 1.79 1.90 1x9yB1 LYS 150 HG2 -0.01 0.44 0.23 -0.04 1.46 2.08 1x9yB1 LYS 150 HG3 -0.01 -0.05 -0.06 -0.04 1.46 1.29 1x9yB1 LYS 150 HD2 -0.00 0.01 0.02 -0.04 1.69 1.67 1x9yB1 LYS 150 HD3 -0.00 -0.14 0.11 -0.04 1.68 1.60 1x9yB1 LYS 150 HE2 -0.00 0.05 0.07 -0.04 2.99 3.06 1x9yB1 LYS 150 HE3 -0.00 -0.04 0.01 -0.04 2.99 2.91 1x9yB1 ASP 151 H -0.02 0.08 -0.22 -0.55 8.40 7.69 1x9yB1 ASP 151 HA -0.02 0.16 0.82 -0.75 4.63 4.83 1x9yB1 ASP 151 HB2 -0.01 -0.01 -0.00 -0.04 2.71 2.65 1x9yB1 ASP 151 HB3 -0.01 0.02 0.05 -0.04 2.70 2.72 1x9yB1 LYS 152 H -0.02 0.03 -0.27 -0.55 8.42 7.61 1x9yB1 LYS 152 HA -0.01 -0.01 0.39 -0.75 4.32 3.94 1x9yB1 LYS 152 HB2 -0.01 -0.03 0.13 -0.04 1.87 1.92 1x9yB1 LYS 152 HB3 -0.03 0.14 0.08 -0.04 1.79 1.94 1x9yB1 LYS 152 HG2 -0.02 -0.03 -0.22 -0.04 1.46 1.15 1x9yB1 LYS 152 HG3 -0.01 -0.02 0.02 -0.04 1.46 1.40 1x9yB1 LYS 152 HD2 -0.01 0.02 0.01 -0.04 1.69 1.67 1x9yB1 LYS 152 HD3 -0.01 -0.00 -0.04 -0.04 1.68 1.59 1x9yB1 LYS 152 HE2 -0.01 -0.02 -0.07 -0.04 2.99 2.84 1x9yB1 LYS 152 HE3 -0.01 0.00 -0.03 -0.04 2.99 2.91 1x9yB1 ASN 153 H -0.02 0.04 0.09 -0.55 8.53 8.10 1x9yB1 ASN 153 HA -0.02 0.31 0.48 -0.75 4.76 4.77 1x9yB1 ASN 153 HB2 -0.01 0.22 0.12 -0.04 2.88 3.17 1x9yB1 ASN 153 HB3 -0.01 -0.13 0.22 -0.04 2.79 2.82 1x9yB1 ASN 153 HD21 -0.01 -0.05 0.02 -0.04 7.03 6.95 1x9yB1 ASN 153 HD22 -0.01 -0.06 0.10 -0.04 7.74 7.73 1x9yB1 SER 154 H -0.04 0.43 -0.25 -0.55 8.46 8.05 1x9yB1 SER 154 HA -0.03 0.14 0.64 -0.75 4.49 4.49 1x9yB1 SER 154 HB2 -0.03 -0.12 0.21 -0.04 3.95 3.96 1x9yB1 SER 154 HB3 -0.02 0.03 -0.17 -0.04 3.93 3.72 1x9yB1 ASN 155 H -0.04 0.17 0.25 -0.55 8.53 8.36 1x9yB1 ASN 155 HA -0.08 0.34 1.07 -0.75 4.76 5.34 1x9yB1 ASN 155 HB2 -0.06 0.03 0.03 -0.04 2.88 2.84 1x9yB1 ASN 155 HB3 -0.05 0.02 -0.15 -0.04 2.79 2.57 1x9yB1 ASN 155 HD21 -0.03 -0.04 0.02 -0.04 7.03 6.94 1x9yB1 ASN 155 HD22 -0.04 -0.09 0.12 -0.04 7.74 7.69 1x9yB1 ILE 156 H -0.14 0.54 0.50 -0.55 8.25 8.60 1x9yB1 ILE 156 HA -0.10 0.38 1.07 -0.75 4.18 4.77 1x9yB1 ILE 156 HB -0.35 -0.11 0.05 -0.04 1.89 1.44 1x9yB1 ILE 156 HG12 -0.32 0.12 0.03 -0.04 1.49 1.28 1x9yB1 ILE 156 HG13 -0.40 -0.08 -0.17 -0.04 1.21 0.52 1x9yB1 ILE 156 HG23 -0.18 -0.01 -0.23 -0.04 0.93 0.48 1x9yB1 ILE 156 HD13 -1.06 -0.00 -0.13 -0.04 0.88 -0.35 1x9yB1 THR 157 H -0.08 0.28 0.35 -0.55 8.28 8.29 1x9yB1 THR 157 HA -0.05 0.22 0.99 -0.75 4.39 4.81 1x9yB1 THR 157 HB -0.03 -0.10 0.12 -0.04 4.32 4.27 1x9yB1 THR 157 HG23 -0.02 0.05 -0.10 -0.04 1.22 1.11 1x9yB1 VAL 158 H 0.06 0.30 0.19 -0.55 8.24 8.24 1x9yB1 VAL 158 HA 0.19 0.27 0.96 -0.75 4.13 4.80 1x9yB1 VAL 158 HB 0.19 0.07 0.21 -0.04 2.12 2.55 1x9yB1 VAL 158 HG13 0.30 -0.01 -0.07 -0.04 0.97 1.15 1x9yB1 VAL 158 HG23 -0.26 0.00 -0.05 -0.04 0.95 0.61 1x9yB1 LEU 159 H 0.22 0.64 0.34 -0.55 8.37 9.02 1x9yB1 LEU 159 HA 0.02 0.34 1.07 -0.75 4.35 5.02 1x9yB1 LEU 159 HB2 -0.12 -0.08 -0.11 -0.04 1.64 1.30 1x9yB1 LEU 159 HB3 -0.84 -0.06 -0.02 -0.04 1.64 0.68 1x9yB1 LEU 159 HG -0.05 -0.02 -0.59 -0.04 1.64 0.94 1x9yB1 LEU 159 HD13 -0.22 -0.02 -0.21 -0.04 0.93 0.44 1x9yB1 LEU 159 HD23 -0.26 0.01 -0.23 -0.04 0.89 0.37 1x9yB1 THR 160 H -0.07 0.44 0.31 -0.55 8.28 8.41 1x9yB1 THR 160 HA 0.19 0.21 0.89 -0.75 4.39 4.93 1x9yB1 THR 160 HB -0.06 0.10 -0.18 -0.04 4.32 4.14 1x9yB1 THR 160 HG23 0.06 0.00 -0.22 -0.04 1.22 1.02 1x9yB1 ASP 161 H 0.22 0.55 0.29 -0.55 8.40 8.91 1x9yB1 ASP 161 HA 0.45 0.17 0.71 -0.75 4.63 5.21 1x9yB1 ASP 161 HB2 -0.00 -0.04 0.20 -0.04 2.71 2.83 1x9yB1 ASP 161 HB3 0.34 0.06 -0.06 -0.04 2.70 3.00 1x9yB1 GLU 162 H -0.46 0.18 0.15 -0.55 8.60 7.93 1x9yB1 GLU 162 HA -0.33 0.09 0.29 -0.75 4.29 3.59 1x9yB1 GLU 162 HB2 -0.27 0.02 0.07 -0.04 2.09 1.87 1x9yB1 GLU 162 HB3 -0.26 0.05 0.05 -0.04 1.99 1.79 1x9yB1 GLU 162 HG2 -0.45 0.07 0.05 -0.04 2.34 1.97 1x9yB1 GLU 162 HG3 -1.43 0.01 0.06 -0.04 2.34 0.94 1x9yB1 LYS 163 H -0.08 -0.02 -0.36 -0.55 8.42 7.40 1x9yB1 LYS 163 HA -0.18 0.30 0.71 -0.75 4.32 4.39 1x9yB1 LYS 163 HB2 0.01 -0.04 -0.04 -0.04 1.87 1.76 1x9yB1 LYS 163 HB3 -0.08 0.03 0.06 -0.04 1.79 1.76 1x9yB1 LYS 163 HG2 -0.09 0.05 -0.11 -0.04 1.46 1.27 1x9yB1 LYS 163 HG3 -0.10 -0.12 -0.14 -0.04 1.46 1.05 1x9yB1 LYS 163 HD2 -0.05 -0.10 -0.03 -0.04 1.69 1.47 1x9yB1 LYS 163 HD3 -0.04 0.02 -0.05 -0.04 1.68 1.57 1x9yB1 LYS 163 HE2 -0.07 -0.05 -0.08 -0.04 2.99 2.75 1x9yB1 LYS 163 HE3 -0.05 0.06 -0.22 -0.04 2.99 2.73 1x9yB1 GLY 164 H -0.19 0.39 -0.12 -0.55 8.43 7.96 1x9yB1 GLY 164 HA2 -0.40 0.01 0.29 -0.51 4.01 3.40 1x9yB1 GLY 164 HA3 -0.35 0.29 0.99 -0.51 4.01 4.43 1x9yB1 PHE 165 H -0.17 0.65 0.40 -0.55 8.34 8.67 1x9yB1 PHE 165 HA 0.03 0.27 1.16 -0.75 4.62 5.32 1x9yB1 PHE 165 HB2 -0.10 -0.08 0.10 -0.04 3.15 3.03 1x9yB1 PHE 165 HB3 0.03 0.11 0.07 -0.04 3.06 3.23 1x9yB1 PHE 165 HD2 0.09 0.09 -0.10 -0.04 7.28 7.33 1x9yB1 PHE 165 HE2 0.03 -0.00 -0.18 -0.04 7.38 7.19 1x9yB1 PHE 165 HZ -0.05 0.09 -0.44 -0.04 7.32 6.88 1x9yB1 TYR 166 H 0.35 0.75 0.35 -0.55 8.29 9.19 1x9yB1 TYR 166 HA 0.02 0.12 1.07 -0.75 4.56 5.02 1x9yB1 TYR 166 HB2 0.13 -0.07 -0.19 -0.04 3.06 2.90 1x9yB1 TYR 166 HB3 0.12 0.12 -0.13 -0.04 2.98 3.06 1x9yB1 TYR 166 HD2 0.10 0.03 -0.49 -0.04 7.15 6.75 1x9yB1 TYR 166 HE2 0.05 -0.05 -0.24 -0.04 6.85 6.56 1x9yB1 PHE 167 H 0.26 0.63 0.35 -0.55 8.34 9.03 1x9yB1 PHE 167 HA 0.02 0.26 0.98 -0.75 4.62 5.13 1x9yB1 PHE 167 HB2 0.01 0.01 0.11 -0.04 3.15 3.24 1x9yB1 PHE 167 HB3 -0.01 0.03 -0.09 -0.04 3.06 2.94 1x9yB1 PHE 167 HD2 -0.03 0.12 -0.20 -0.04 7.28 7.13 1x9yB1 PHE 167 HE2 -0.13 0.05 -0.23 -0.04 7.38 7.02 1x9yB1 PHE 167 HZ -0.20 0.02 -0.15 -0.04 7.32 6.94 1x9yB1 GLU 168 H 0.07 0.38 0.31 -0.55 8.60 8.81 1x9yB1 GLU 168 HA 0.09 0.33 1.03 -0.75 4.29 4.99 1x9yB1 GLU 168 HB2 0.04 -0.02 -0.02 -0.04 2.09 2.05 1x9yB1 GLU 168 HB3 0.00 -0.09 0.20 -0.04 1.99 2.07 1x9yB1 GLU 168 HG2 0.04 0.13 -0.32 -0.04 2.34 2.15 1x9yB1 GLU 168 HG3 0.05 -0.01 -0.18 -0.04 2.34 2.16 1x9yB1 GLU 169 H 0.06 0.80 0.25 -0.55 8.60 9.16 1x9yB1 GLU 169 HA -0.01 0.24 1.03 -0.75 4.29 4.79 1x9yB1 GLU 169 HB2 0.05 -0.05 -0.14 -0.04 2.09 1.92 1x9yB1 GLU 169 HB3 0.04 0.01 0.03 -0.04 1.99 2.02 1x9yB1 GLU 169 HG2 -0.00 -0.04 0.01 -0.04 2.34 2.27 1x9yB1 GLU 169 HG3 -0.03 0.14 0.04 -0.04 2.34 2.46 1x9yB1 ASP 170 H -0.01 0.24 0.18 -0.55 8.40 8.27 1x9yB1 ASP 170 HA -0.00 0.05 0.37 -0.75 4.63 4.30 1x9yB1 ASP 170 HB2 0.01 0.12 0.10 -0.04 2.71 2.89 1x9yB1 ASP 170 HB3 0.00 0.02 0.19 -0.04 2.70 2.86 1x9yB1 GLY 171 H 0.00 0.08 -0.24 -0.55 8.43 7.73 1x9yB1 GLY 171 HA2 0.01 -0.02 0.25 -0.51 4.01 3.74 1x9yB1 GLY 171 HA3 0.01 0.08 0.35 -0.51 4.01 3.94 1x9yB1 LYS 172 H 0.02 0.59 -0.69 -0.55 8.42 7.78 1x9yB1 LYS 172 HA 0.03 0.13 0.94 -0.75 4.32 4.66 1x9yB1 LYS 172 HB2 0.03 0.13 0.11 -0.04 1.87 2.10 1x9yB1 LYS 172 HB3 0.03 -0.04 -0.02 -0.04 1.79 1.73 1x9yB1 LYS 172 HG2 0.01 -0.03 -0.01 -0.04 1.46 1.39 1x9yB1 LYS 172 HG3 0.01 0.17 -0.00 -0.04 1.46 1.60 1x9yB1 LYS 172 HD2 0.01 0.00 0.01 -0.04 1.69 1.67 1x9yB1 LYS 172 HD3 0.01 -0.03 0.00 -0.04 1.68 1.62 1x9yB1 LYS 172 HE2 0.01 -0.02 0.01 -0.04 2.99 2.94 1x9yB1 LYS 172 HE3 0.01 0.03 0.02 -0.04 2.99 3.01 1x9yB1 VAL 173 H 0.05 0.19 0.19 -0.55 8.24 8.12 1x9yB1 VAL 173 HA 0.12 0.27 1.06 -0.75 4.13 4.82 1x9yB1 VAL 173 HB 0.06 0.00 0.17 -0.04 2.12 2.31 1x9yB1 VAL 173 HG13 0.15 -0.03 -0.25 -0.04 0.97 0.80 1x9yB1 VAL 173 HG23 0.13 0.03 -0.12 -0.04 0.95 0.95 1x9yB1 ARG 174 H 0.17 0.63 0.34 -0.55 8.46 9.05 1x9yB1 ARG 174 HA 0.12 0.17 1.02 -0.75 4.34 4.89 1x9yB1 ARG 174 HB2 0.02 0.05 0.05 -0.04 1.90 1.98 1x9yB1 ARG 174 HB3 0.06 0.02 -0.12 -0.04 1.80 1.71 1x9yB1 ARG 174 HG2 0.11 0.06 0.05 -0.04 1.67 1.85 1x9yB1 ARG 174 HG3 0.01 -0.08 -0.12 -0.04 1.67 1.44 1x9yB1 ARG 174 HD2 -0.02 0.04 -0.06 -0.04 3.22 3.14 1x9yB1 ARG 174 HD3 0.03 0.00 -0.06 -0.04 3.22 3.16 1x9yB1 LEU 175 H 0.09 0.16 0.14 -0.55 8.37 8.21 1x9yB1 LEU 175 HA -0.22 0.07 0.54 -0.75 4.35 3.99 1x9yB1 LEU 175 HB2 0.06 -0.01 0.05 -0.04 1.64 1.71 1x9yB1 LEU 175 HB3 -0.05 0.02 0.12 -0.04 1.64 1.69 1x9yB1 LEU 175 HG -0.22 -0.03 -0.38 -0.04 1.64 0.98 1x9yB1 LEU 175 HD13 -0.51 0.04 -0.14 -0.04 0.93 0.29 1x9yB1 LEU 175 HD23 -0.09 0.01 -0.07 -0.04 0.89 0.69 1x9yB1 VAL 176 H -0.32 0.58 0.45 -0.55 8.24 8.40 1x9yB1 VAL 176 HA -0.29 0.21 0.92 -0.75 4.13 4.22 1x9yB1 VAL 176 HB -0.49 -0.01 -0.10 -0.04 2.12 1.49 1x9yB1 VAL 176 HG13 -0.59 -0.01 -0.13 -0.04 0.97 0.20 1x9yB1 VAL 176 HG23 -1.10 0.03 -0.15 -0.04 0.95 -0.32 1x9yB1 LYS 177 H -0.24 0.30 0.24 -0.55 8.42 8.17 1x9yB1 LYS 177 HA -0.12 0.17 0.68 -0.75 4.32 4.30 1x9yB1 LYS 177 HB2 -0.13 0.03 -0.14 -0.04 1.87 1.59 1x9yB1 LYS 177 HB3 0.12 -0.12 0.06 -0.04 1.79 1.81 1x9yB1 LYS 177 HG2 -0.00 0.14 -0.25 -0.04 1.46 1.31 1x9yB1 LYS 177 HG3 0.01 0.09 0.10 -0.04 1.46 1.62 1x9yB1 LYS 177 HD2 0.12 -0.12 -0.04 -0.04 1.69 1.60 1x9yB1 LYS 177 HD3 0.30 -0.06 -0.11 -0.04 1.68 1.77 1x9yB1 LYS 177 HE2 0.30 -0.10 -0.10 -0.04 2.99 3.05 1x9yB1 LYS 177 HE3 0.23 0.06 -0.10 -0.04 2.99 3.15 1x9yB1 ALA 178 H -0.13 0.21 0.17 -0.55 8.40 8.10 1x9yB1 ALA 178 HA -0.27 0.19 0.91 -0.75 4.34 4.42 1x9yB1 ALA 178 HB3 -0.13 0.01 0.15 -0.04 1.41 1.40 1x9yB1 THR 179 H -0.45 0.58 -0.00 -0.55 8.28 7.85 1x9yB1 THR 179 HA -2.21 0.21 0.81 -0.75 4.39 2.45 1x9yB1 THR 179 HB -1.89 -0.03 0.01 -0.04 4.32 2.37 1x9yB1 THR 179 HG23 -0.60 -0.02 -0.23 -0.04 1.22 0.33 1x9yB1 PRO 180 HA -0.12 0.02 0.46 -0.51 4.44 4.29 1x9yB1 PRO 180 HB2 0.05 0.18 -0.04 -0.04 2.28 2.44 1x9yB1 PRO 180 HB3 -0.07 0.01 -0.11 -0.04 2.02 1.81 1x9yB1 PRO 180 HG2 -0.05 -0.22 -0.40 -0.04 2.03 1.32 1x9yB1 PRO 180 HG3 -0.12 0.18 -0.16 -0.04 2.03 1.89 1x9yB1 PRO 180 HD2 -0.26 0.09 -0.01 -0.04 3.68 3.46 1x9yB1 PRO 180 HD3 -0.52 0.19 -0.51 -0.04 3.65 2.77 1x9yB1 LEU 181 H -0.01 0.15 0.22 -0.55 8.37 8.18 1x9yB1 LEU 181 HA 0.16 0.21 0.86 -0.75 4.35 4.82 1x9yB1 LEU 181 HB2 0.03 -0.01 0.06 -0.04 1.64 1.69 1x9yB1 LEU 181 HB3 0.11 -0.08 0.13 -0.04 1.64 1.75 1x9yB1 LEU 181 HG 0.14 0.13 -0.41 -0.04 1.64 1.47 1x9yB1 LEU 181 HD13 0.07 0.00 -0.04 -0.04 0.93 0.93 1x9yB1 LEU 181 HD23 0.04 0.02 0.10 -0.04 0.89 1.01 1x9yB1 ALA 182 H 0.10 0.29 0.23 -0.55 8.40 8.47 1x9yB1 ALA 182 HA 0.05 0.13 0.45 -0.75 4.34 4.22 1x9yB1 ALA 182 HB3 0.09 0.04 0.17 -0.04 1.41 1.67 1x9yB1 ASN 183 H 0.09 0.05 -0.32 -0.55 8.53 7.81 1x9yB1 ASN 183 HA 0.06 0.26 0.76 -0.75 4.76 5.09 1x9yB1 ASN 183 HB2 0.07 0.03 0.16 -0.04 2.88 3.09 1x9yB1 ASN 183 HB3 0.13 0.02 0.04 -0.04 2.79 2.94 1x9yB1 ASN 183 HD21 0.17 0.01 0.02 -0.04 7.03 7.19 1x9yB1 ASN 183 HD22 0.16 0.04 0.05 -0.04 7.74 7.94 1x9yB1 ASN 184 H 0.01 0.24 -0.20 -0.55 8.53 8.04 1x9yB1 ASN 184 HA -0.03 0.20 0.79 -0.75 4.76 4.96 1x9yB1 ASN 184 HB2 -0.08 -0.03 -0.01 -0.04 2.88 2.72 1x9yB1 ASN 184 HB3 -0.06 0.00 -0.17 -0.04 2.79 2.52 1x9yB1 ASN 184 HD21 -0.10 0.23 0.14 -0.04 7.03 7.27 1x9yB1 ASN 184 HD22 -0.06 -0.00 -0.02 -0.04 7.74 7.61 1x9yB1 ILE 185 H -0.01 0.34 0.13 -0.55 8.25 8.16 1x9yB1 ILE 185 HA -0.05 0.00 0.26 -0.75 4.18 3.64 1x9yB1 ILE 185 HB -0.03 -0.03 -0.06 -0.04 1.89 1.74 1x9yB1 ILE 185 HG12 -0.08 0.17 -0.13 -0.04 1.49 1.40 1x9yB1 ILE 185 HG13 -0.05 0.02 -0.32 -0.04 1.21 0.82 1x9yB1 ILE 185 HG23 0.00 0.02 0.02 -0.04 0.93 0.94 1x9yB1 ILE 185 HD13 -0.11 -0.01 -0.21 -0.04 0.88 0.51 1x9yB1 LYS 186 H -0.01 0.03 -0.59 -0.55 8.42 7.30 1x9yB1 LYS 186 HA -0.02 0.27 0.94 -0.75 4.32 4.76 1x9yB1 LYS 186 HB2 -0.01 -0.02 0.15 -0.04 1.87 1.95 1x9yB1 LYS 186 HB3 -0.01 0.02 -0.11 -0.04 1.79 1.64 1x9yB1 LYS 186 HG2 0.00 -0.03 -0.07 -0.04 1.46 1.32 1x9yB1 LYS 186 HG3 -0.00 -0.01 -0.05 -0.04 1.46 1.36 1x9yB1 LYS 186 HD2 0.00 -0.02 -0.01 -0.04 1.69 1.62 1x9yB1 LYS 186 HD3 0.00 -0.01 -0.04 -0.04 1.68 1.59 1x9yB1 LYS 186 HE2 0.02 0.10 0.01 -0.04 2.99 3.08 1x9yB1 LYS 186 HE3 0.02 -0.03 -0.01 -0.04 2.99 2.92 1x9yB1 GLU 187 H -0.03 0.52 -0.08 -0.55 8.60 8.46 1x9yB1 GLU 187 HA -0.03 0.14 0.87 -0.75 4.29 4.52 1x9yB1 GLU 187 HB2 -0.05 0.05 0.08 -0.04 2.09 2.14 1x9yB1 GLU 187 HB3 -0.04 -0.03 0.09 -0.04 1.99 1.97 1x9yB1 GLU 187 HG2 -0.02 -0.12 -0.30 -0.04 2.34 1.86 1x9yB1 GLU 187 HG3 -0.03 0.06 0.04 -0.04 2.34 2.36 1x9yB1 LYS 188 H -0.03 0.08 0.12 -0.55 8.42 8.03 1x9yB1 LYS 188 HA -0.03 0.08 0.38 -0.75 4.32 3.98 1x9yB1 LYS 188 HB2 -0.04 -0.04 0.08 -0.04 1.87 1.83 1x9yB1 LYS 188 HB3 -0.04 0.04 -0.09 -0.04 1.79 1.66 1x9yB1 LYS 188 HG2 -0.03 0.01 0.00 -0.04 1.46 1.41 1x9yB1 LYS 188 HG3 -0.03 0.03 0.02 -0.04 1.46 1.45 1x9yB1 LYS 188 HD2 -0.02 -0.03 0.06 -0.04 1.69 1.66 1x9yB1 LYS 188 HD3 -0.02 0.02 0.01 -0.04 1.68 1.65 1x9yB1 LYS 188 HE2 -0.02 0.04 -0.09 -0.04 2.99 2.88 1x9yB1 LYS 188 HE3 -0.02 -0.23 -0.12 -0.04 2.99 2.57 1x9yB1 GLU 189 H -0.04 0.12 0.11 -0.55 8.60 8.24 1x9yB1 GLU 189 HA -0.06 0.05 0.47 -0.75 4.29 3.99 1x9yB1 GLU 189 HB2 -0.04 0.03 0.14 -0.04 2.09 2.18 1x9yB1 GLU 189 HB3 -0.05 -0.03 0.20 -0.04 1.99 2.08 1x9yB1 GLU 189 HG2 -0.03 -0.02 0.01 -0.04 2.34 2.26 1x9yB1 GLU 189 HG3 -0.07 0.15 -0.13 -0.04 2.34 2.24 1x9yB1 SER 190 H -0.10 0.18 0.21 -0.55 8.46 8.21 1x9yB1 SER 190 HA -0.11 0.00 0.25 -0.75 4.49 3.88 1x9yB1 SER 190 HB2 -0.13 0.04 0.13 -0.04 3.95 3.95 1x9yB1 SER 190 HB3 -0.17 -0.08 0.02 -0.04 3.93 3.65 1x9yB1 ALA 191 H -0.16 0.07 0.14 -0.55 8.40 7.90 1x9yB1 ALA 191 HA -0.18 0.14 0.53 -0.75 4.34 4.07 1x9yB1 ALA 191 HB3 -0.13 0.01 0.09 -0.04 1.41 1.34 1x9yB1 LYS 192 H -0.27 0.23 0.09 -0.55 8.42 7.92 1x9yB1 LYS 192 HA -1.51 0.08 0.53 -0.75 4.32 2.67 1x9yB1 LYS 192 HB2 -0.16 0.03 0.19 -0.04 1.87 1.89 1x9yB1 LYS 192 HB3 -0.28 -0.04 0.00 -0.04 1.79 1.43 1x9yB1 LYS 192 HG2 -0.25 0.09 0.05 -0.04 1.46 1.30 1x9yB1 LYS 192 HG3 -0.24 0.00 -0.07 -0.04 1.46 1.11 1x9yB1 LYS 192 HD2 -0.88 -0.09 -0.22 -0.04 1.69 0.45 1x9yB1 LYS 192 HD3 -0.66 -0.03 -0.57 -0.04 1.68 0.39 1x9yB1 LYS 192 HE2 -0.17 0.22 -0.13 -0.04 2.99 2.87 1x9yB1 LYS 192 HE3 -0.09 -0.05 -0.15 -0.04 2.99 2.66 1x9yB1 THR 193 H -0.31 0.39 -0.33 -0.55 8.28 7.49 1x9yB1 THR 193 HA 0.03 0.21 0.89 -0.75 4.39 4.77 1x9yB1 THR 193 HB -0.03 -0.03 0.02 -0.04 4.32 4.24 1x9yB1 THR 193 HG23 0.01 0.03 -0.23 -0.04 1.22 0.98 1x9yB1 VAL 194 H 0.13 0.21 0.04 -0.55 8.24 8.06 1x9yB1 VAL 194 HA 0.17 0.04 0.45 -0.75 4.13 4.04 1x9yB1 VAL 194 HB 0.04 0.00 0.14 -0.04 2.12 2.26 1x9yB1 VAL 194 HG13 -0.02 0.03 -0.12 -0.04 0.97 0.83 1x9yB1 VAL 194 HG23 0.06 0.01 -0.05 -0.04 0.95 0.92 1x9yB1 SER 195 H 0.10 0.44 0.35 -0.55 8.46 8.81 1x9yB1 SER 195 HA 0.03 0.10 0.35 -0.75 4.49 4.22 1x9yB1 SER 195 HB2 0.05 0.18 0.18 -0.04 3.95 4.32 1x9yB1 SER 195 HB3 0.03 -0.24 0.06 -0.04 3.93 3.74 1x9yB1 PRO 196 HA -0.00 0.13 0.57 -0.51 4.44 4.63 1x9yB1 PRO 196 HB2 0.00 0.04 0.01 -0.04 2.28 2.29 1x9yB1 PRO 196 HB3 -0.00 0.08 0.11 -0.04 2.02 2.17 1x9yB1 PRO 196 HG2 0.00 0.06 0.08 -0.04 2.03 2.14 1x9yB1 PRO 196 HG3 0.00 0.11 0.07 -0.04 2.03 2.18 1x9yB1 PRO 196 HD2 0.01 0.07 0.23 -0.04 3.68 3.95 1x9yB1 PRO 196 HD3 0.02 0.16 0.23 -0.04 3.65 4.01 1x9yB1 GLN 197 H 0.01 0.16 -0.12 -0.55 8.47 7.97 1x9yB1 GLN 197 HA -0.00 0.11 0.40 -0.75 4.36 4.11 1x9yB1 GLN 197 HB2 0.01 0.13 -0.02 -0.04 2.15 2.23 1x9yB1 GLN 197 HB3 0.01 0.03 0.09 -0.04 2.02 2.10 1x9yB1 GLN 197 HG2 0.01 -0.05 0.11 -0.04 2.40 2.43 1x9yB1 GLN 197 HG3 0.02 -0.07 -0.00 -0.04 2.39 2.30 1x9yB1 GLN 197 HE21 0.02 0.00 0.03 -0.04 6.97 6.98 1x9yB1 GLN 197 HE22 0.01 0.00 0.03 -0.04 7.69 7.70 1x9yB1 LEU 198 H -0.01 0.12 -1.01 -0.55 8.37 6.92 1x9yB1 LEU 198 HA -0.06 0.20 0.79 -0.75 4.35 4.53 1x9yB1 LEU 198 HB2 -0.01 -0.04 -0.25 -0.04 1.64 1.30 1x9yB1 LEU 198 HB3 -0.01 0.13 -0.05 -0.04 1.64 1.67 1x9yB1 LEU 198 HG -0.10 0.03 -0.34 -0.04 1.64 1.18 1x9yB1 LEU 198 HD13 -0.28 -0.01 -0.07 -0.04 0.93 0.53 1x9yB1 LEU 198 HD23 -0.04 -0.03 -0.10 -0.04 0.89 0.68 1x9yB1 LYS 199 H -0.03 0.47 0.09 -0.55 8.42 8.40 1x9yB1 LYS 199 HA -0.05 0.04 0.34 -0.75 4.32 3.89 1x9yB1 LYS 199 HB2 -0.02 -0.03 0.16 -0.04 1.87 1.94 1x9yB1 LYS 199 HB3 -0.02 0.02 -0.01 -0.04 1.79 1.74 1x9yB1 LYS 199 HG2 -0.02 -0.05 0.01 -0.04 1.46 1.35 1x9yB1 LYS 199 HG3 -0.01 0.28 -0.06 -0.04 1.46 1.63 1x9yB1 LYS 199 HD2 -0.00 -0.06 -0.01 -0.04 1.69 1.57 1x9yB1 LYS 199 HD3 -0.01 -0.01 -0.01 -0.04 1.68 1.61 1x9yB1 LYS 199 HE2 0.00 -0.06 -0.00 -0.04 2.99 2.89 1x9yB1 LYS 199 HE3 0.01 0.21 -0.01 -0.04 2.99 3.16 1x9yB1 GLN 200 H -0.03 0.29 -0.35 -0.55 8.47 7.84 1x9yB1 GLN 200 HA -0.03 0.06 0.32 -0.75 4.36 3.96 1x9yB1 GLN 200 HB2 -0.02 -0.01 -0.04 -0.04 2.15 2.05 1x9yB1 GLN 200 HB3 -0.02 -0.01 -0.12 -0.04 2.02 1.82 1x9yB1 GLN 200 HG2 -0.01 -0.03 0.00 -0.04 2.40 2.32 1x9yB1 GLN 200 HG3 -0.01 0.06 0.08 -0.04 2.39 2.47 1x9yB1 GLN 200 HE21 -0.00 -0.06 -0.10 -0.04 6.97 6.77 1x9yB1 GLN 200 HE22 -0.00 -0.02 -0.12 -0.04 7.69 7.50 1x9yB1 GLU 201 H -0.05 0.09 -0.43 -0.55 8.60 7.67 1x9yB1 GLU 201 HA -0.03 0.08 0.47 -0.75 4.29 4.05 1x9yB1 GLU 201 HB2 -0.10 0.06 0.04 -0.04 2.09 2.06 1x9yB1 GLU 201 HB3 -0.04 -0.07 0.10 -0.04 1.99 1.94 1x9yB1 GLU 201 HG2 -0.02 -0.07 -0.03 -0.04 2.34 2.19 1x9yB1 GLU 201 HG3 -0.03 0.22 0.05 -0.04 2.34 2.54 1x9yB1 LEU 202 H -0.10 0.35 -0.40 -0.55 8.37 7.68 1x9yB1 LEU 202 HA -0.13 -0.01 0.18 -0.75 4.35 3.64 1x9yB1 LEU 202 HB2 -0.09 0.11 0.13 -0.04 1.64 1.75 1x9yB1 LEU 202 HB3 -0.11 -0.05 0.01 -0.04 1.64 1.46 1x9yB1 LEU 202 HG -0.23 0.22 -0.08 -0.04 1.64 1.51 1x9yB1 LEU 202 HD13 -0.15 -0.04 -0.11 -0.04 0.93 0.60 1x9yB1 LEU 202 HD23 -0.50 -0.02 -0.34 -0.04 0.89 -0.01 1x9yB1 LYS 203 H -0.04 0.43 0.39 -0.55 8.42 8.64 1x9yB1 LYS 203 HA -0.02 0.07 0.36 -0.75 4.32 3.98 1x9yB1 LYS 203 HB2 -0.01 0.12 0.19 -0.04 1.87 2.13 1x9yB1 LYS 203 HB3 -0.01 -0.12 0.17 -0.04 1.79 1.79 1x9yB1 LYS 203 HG2 -0.02 -0.00 -0.04 -0.04 1.46 1.36 1x9yB1 LYS 203 HG3 -0.02 0.13 -0.12 -0.04 1.46 1.40 1x9yB1 LYS 203 HD2 -0.00 -0.00 0.09 -0.04 1.69 1.74 1x9yB1 LYS 203 HD3 -0.00 -0.09 0.05 -0.04 1.68 1.60 1x9yB1 LYS 203 HE2 -0.01 0.06 -0.00 -0.04 2.99 2.99 1x9yB1 LYS 203 HE3 -0.00 -0.11 0.01 -0.04 2.99 2.85 1x9yB1 THR 204 H -0.02 0.42 -0.06 -0.55 8.28 8.07 1x9yB1 THR 204 HA -0.01 0.17 0.66 -0.75 4.39 4.46 1x9yB1 THR 204 HB 0.02 -0.03 -0.17 -0.04 4.32 4.09 1x9yB1 THR 204 HG23 0.01 -0.12 0.17 -0.04 1.22 1.24 1x9yB1 THR 205 H 0.00 0.28 0.22 -0.55 8.28 8.23 1x9yB1 THR 205 HA 0.00 0.26 0.85 -0.75 4.39 4.76 1x9yB1 THR 205 HB -0.02 -0.01 0.03 -0.04 4.32 4.28 1x9yB1 THR 205 HG23 -0.02 -0.02 -0.35 -0.04 1.22 0.79 1x9yB1 VAL 206 H 0.00 0.51 0.38 -0.55 8.24 8.59 1x9yB1 VAL 206 HA 0.01 0.15 0.71 -0.75 4.13 4.24 1x9yB1 VAL 206 HB 0.03 -0.02 -0.00 -0.04 2.12 2.09 1x9yB1 VAL 206 HG13 0.04 0.03 -0.09 -0.04 0.97 0.91 1x9yB1 VAL 206 HG23 0.08 0.05 -0.12 -0.04 0.95 0.92 1x9yB1 THR 207 H 0.01 0.19 0.15 -0.55 8.28 8.08 1x9yB1 THR 207 HA -0.03 0.37 1.23 -0.75 4.39 5.21 1x9yB1 THR 207 HB -0.02 0.21 0.14 -0.04 4.32 4.61 1x9yB1 THR 207 HG23 -0.01 0.01 -0.15 -0.04 1.22 1.03 1x9yB1 PRO 208 HA 0.05 0.17 0.47 -0.51 4.44 4.61 1x9yB1 PRO 208 HB2 -0.05 0.04 -0.01 -0.04 2.28 2.22 1x9yB1 PRO 208 HB3 -0.04 -0.00 0.05 -0.04 2.02 1.99 1x9yB1 PRO 208 HG2 -0.19 0.04 -0.04 -0.04 2.03 1.81 1x9yB1 PRO 208 HG3 -0.18 0.03 -0.02 -0.04 2.03 1.82 1x9yB1 PRO 208 HD2 -0.07 0.29 0.16 -0.04 3.68 4.03 1x9yB1 PRO 208 HD3 -0.08 0.18 0.13 -0.04 3.65 3.84 1x9yB1 THR 209 H -0.01 0.16 -0.28 -0.55 8.28 7.60 1x9yB1 THR 209 HA 0.01 0.09 0.44 -0.75 4.39 4.18 1x9yB1 THR 209 HB -0.01 0.04 0.07 -0.04 4.32 4.38 1x9yB1 THR 209 HG23 0.00 -0.01 -0.18 -0.04 1.22 0.99 1x9yB1 LYS 210 H 0.01 0.24 -0.23 -0.55 8.42 7.88 1x9yB1 LYS 210 HA 0.01 -0.05 0.41 -0.75 4.32 3.94 1x9yB1 LYS 210 HB2 0.00 -0.04 0.18 -0.04 1.87 1.98 1x9yB1 LYS 210 HB3 0.01 0.03 0.17 -0.04 1.79 1.96 1x9yB1 LYS 210 HG2 0.01 0.00 -0.08 -0.04 1.46 1.36 1x9yB1 LYS 210 HG3 0.01 -0.02 0.04 -0.04 1.46 1.44 1x9yB1 LYS 210 HD2 0.00 -0.01 0.05 -0.04 1.69 1.70 1x9yB1 LYS 210 HD3 0.01 -0.01 0.04 -0.04 1.68 1.68 1x9yB1 LYS 210 HE2 0.01 -0.01 -0.00 -0.04 2.99 2.95 1x9yB1 LYS 210 HE3 0.00 0.00 0.00 -0.04 2.99 2.96 1x9yB1 VAL 211 H 0.01 0.06 0.11 -0.55 8.24 7.88 1x9yB1 VAL 211 HA 0.00 0.45 0.77 -0.75 4.13 4.61 1x9yB1 VAL 211 HB 0.01 -0.04 0.07 -0.04 2.12 2.13 1x9yB1 VAL 211 HG13 0.01 -0.00 0.05 -0.04 0.97 0.99 1x9yB1 VAL 211 HG23 0.02 0.08 -0.23 -0.04 0.95 0.77 1x9yB1 GLN 223 HA 0.03 -0.02 0.21 -0.75 4.36 3.83 1x9yB1 GLN 223 HB2 0.05 0.00 0.01 -0.04 2.15 2.17 1x9yB1 GLN 223 HB3 0.02 -0.04 0.08 -0.04 2.02 2.04 1x9yB1 GLN 223 HG2 0.09 -0.00 0.05 -0.04 2.40 2.50 1x9yB1 GLN 223 HG3 0.04 -0.01 -0.04 -0.04 2.39 2.34 1x9yB1 GLN 223 HE21 -0.00 -0.51 -0.10 -0.04 6.97 6.31 1x9yB1 GLN 223 HE22 0.01 0.05 -0.09 -0.04 7.69 7.62 1x9yB1 TYR 224 H 0.12 0.34 0.23 -0.55 8.29 8.43 1x9yB1 TYR 224 HA 0.01 0.21 1.03 -0.75 4.56 5.05 1x9yB1 TYR 224 HB2 0.02 0.02 -0.08 -0.04 3.06 2.97 1x9yB1 TYR 224 HB3 0.03 -0.11 0.10 -0.04 2.98 2.96 1x9yB1 TYR 224 HD2 0.08 -0.02 -0.09 -0.04 7.15 7.07 1x9yB1 TYR 224 HE2 0.01 -0.01 -0.10 -0.04 6.85 6.71 1x9yB1 GLU 225 H -0.57 0.32 0.19 -0.55 8.60 7.99 1x9yB1 GLU 225 HA -0.31 0.13 0.86 -0.75 4.29 4.22 1x9yB1 GLU 225 HB2 -0.13 0.05 -0.17 -0.04 2.09 1.79 1x9yB1 GLU 225 HB3 -0.15 0.01 -0.01 -0.04 1.99 1.80 1x9yB1 GLU 225 HG2 -0.14 -0.02 -0.08 -0.04 2.34 2.06 1x9yB1 GLU 225 HG3 -0.09 0.01 -0.09 -0.04 2.34 2.13 1x9yB1 ASN 226 H -0.27 0.61 0.25 -0.55 8.53 8.58 1x9yB1 ASN 226 HA -0.19 0.14 0.84 -0.75 4.76 4.79 1x9yB1 ASN 226 HB2 -0.38 -0.00 -0.15 -0.04 2.88 2.30 1x9yB1 ASN 226 HB3 -0.17 -0.09 0.15 -0.04 2.79 2.64 1x9yB1 ASN 226 HD21 -0.02 0.19 0.05 -0.04 7.03 7.20 1x9yB1 ASN 226 HD22 -0.06 -0.15 0.05 -0.04 7.74 7.54 1x9yB1 THR 227 H -0.09 0.22 0.13 -0.55 8.28 7.99 1x9yB1 THR 227 HA -0.08 0.23 1.24 -0.75 4.39 5.03 1x9yB1 THR 227 HB -0.07 0.09 0.03 -0.04 4.32 4.34 1x9yB1 THR 227 HG23 -0.09 -0.06 -0.30 -0.04 1.22 0.73 1x9yB1 LEU 228 H -0.05 0.57 0.31 -0.55 8.37 8.66 1x9yB1 LEU 228 HA 0.01 0.10 0.57 -0.75 4.35 4.28 1x9yB1 LEU 228 HB2 0.06 -0.02 0.27 -0.04 1.64 1.91 1x9yB1 LEU 228 HB3 0.09 -0.05 0.04 -0.04 1.64 1.68 1x9yB1 LEU 228 HG -0.02 0.05 0.03 -0.04 1.64 1.66 1x9yB1 LEU 228 HD13 0.06 -0.01 0.00 -0.04 0.93 0.94 1x9yB1 LEU 228 HD23 0.00 0.05 -0.04 -0.04 0.89 0.86 1x9yB1 LYS 229 H 0.01 0.21 0.28 -0.55 8.42 8.36 1x9yB1 LYS 229 HA 0.01 0.04 0.26 -0.75 4.32 3.88 1x9yB1 LYS 229 HB2 0.01 -0.00 0.16 -0.04 1.87 2.00 1x9yB1 LYS 229 HB3 0.01 0.01 0.07 -0.04 1.79 1.83 1x9yB1 LYS 229 HG2 -0.00 0.06 0.20 -0.04 1.46 1.68 1x9yB1 LYS 229 HG3 0.00 -0.02 0.10 -0.04 1.46 1.50 1x9yB1 LYS 229 HD2 -0.00 -0.02 0.07 -0.04 1.69 1.70 1x9yB1 LYS 229 HD3 -0.01 0.01 0.04 -0.04 1.68 1.68 1x9yB1 LYS 229 HE2 -0.02 0.07 0.10 -0.04 2.99 3.10 1x9yB1 LYS 229 HE3 -0.01 -0.03 0.07 -0.04 2.99 2.98 1x9yB1 ASN 230 H 0.04 0.04 -0.24 -0.55 8.53 7.82 1x9yB1 ASN 230 HA 0.01 0.19 0.64 -0.75 4.76 4.84 1x9yB1 ASN 230 HB2 0.02 0.17 0.20 -0.04 2.88 3.22 1x9yB1 ASN 230 HB3 -0.01 0.01 0.20 -0.04 2.79 2.95 1x9yB1 ASN 230 HD21 0.01 -0.03 0.00 -0.04 7.03 6.96 1x9yB1 ASN 230 HD22 0.01 0.07 0.06 -0.04 7.74 7.83 1x9yB1 PHE 231 H 0.15 0.39 -0.24 -0.55 8.34 8.09 1x9yB1 PHE 231 HA -0.06 0.02 0.42 -0.75 4.62 4.25 1x9yB1 PHE 231 HB2 -0.03 -0.07 0.14 -0.04 3.15 3.14 1x9yB1 PHE 231 HB3 -0.05 0.07 0.07 -0.04 3.06 3.10 1x9yB1 PHE 231 HD2 -0.08 0.02 -0.24 -0.04 7.28 6.94 1x9yB1 PHE 231 HE2 -0.18 -0.06 -0.21 -0.04 7.38 6.89 1x9yB1 PHE 231 HZ -0.02 -0.07 -0.13 -0.04 7.32 7.07 1x9yB1 LYS 232 H -0.96 0.19 0.17 -0.55 8.42 7.26 1x9yB1 LYS 232 HA -0.14 0.06 0.53 -0.75 4.32 4.02 1x9yB1 LYS 232 HB2 -0.11 0.21 -0.30 -0.04 1.87 1.63 1x9yB1 LYS 232 HB3 -0.20 -0.03 -0.07 -0.04 1.79 1.45 1x9yB1 LYS 232 HG2 -0.14 0.06 -0.30 -0.04 1.46 1.04 1x9yB1 LYS 232 HG3 -0.08 -0.00 0.03 -0.04 1.46 1.37 1x9yB1 LYS 232 HD2 -0.05 0.03 -0.06 -0.04 1.69 1.57 1x9yB1 LYS 232 HD3 -0.08 -0.04 -0.10 -0.04 1.68 1.42 1x9yB1 LYS 232 HE2 -0.05 0.05 -0.05 -0.04 2.99 2.90 1x9yB1 LYS 232 HE3 -0.03 0.01 -0.01 -0.04 2.99 2.91 1x9yB1 ILE 233 H -0.23 0.20 0.07 -0.55 8.25 7.74 1x9yB1 ILE 233 HA -0.78 0.01 0.61 -0.75 4.18 3.27 1x9yB1 ILE 233 HB -0.16 0.07 0.11 -0.04 1.89 1.87 1x9yB1 ILE 233 HG12 -1.45 -0.01 -0.14 -0.04 1.49 -0.15 1x9yB1 ILE 233 HG13 -0.32 -0.06 -0.11 -0.04 1.21 0.68 1x9yB1 ILE 233 HG23 -0.13 -0.00 -0.14 -0.04 0.93 0.62 1x9yB1 ILE 233 HD13 -0.01 0.00 -0.39 -0.04 0.88 0.45 1x9yB1 ARG 234 H -0.25 0.06 0.26 -0.55 8.46 7.97 1x9yB1 ARG 234 HA -0.04 0.25 0.95 -0.75 4.34 4.75 1x9yB1 ARG 234 HB2 -0.06 -0.03 0.05 -0.04 1.90 1.82 1x9yB1 ARG 234 HB3 -0.01 -0.03 0.07 -0.04 1.80 1.79 1x9yB1 ARG 234 HG2 -0.08 0.03 -0.14 -0.04 1.67 1.44 1x9yB1 ARG 234 HG3 -0.17 0.11 -0.28 -0.04 1.67 1.29 1x9yB1 ARG 234 HD2 -0.06 0.01 0.02 -0.04 3.22 3.15 1x9yB1 ARG 234 HD3 -0.04 -0.04 0.02 -0.04 3.22 3.12 1x9yB1 GLU 235 H 0.09 0.13 0.21 -0.55 8.60 8.48 1x9yB1 GLU 235 HA 0.24 0.17 0.65 -0.75 4.29 4.60 1x9yB1 GLU 235 HB2 0.54 -0.03 0.03 -0.04 2.09 2.58 1x9yB1 GLU 235 HB3 0.21 0.13 -0.02 -0.04 1.99 2.27 1x9yB1 GLU 235 HG2 0.15 0.03 -0.08 -0.04 2.34 2.40 1x9yB1 GLU 235 HG3 0.56 0.02 -0.00 -0.04 2.34 2.87 1x9yB1 GLN 236 H 0.34 0.19 0.14 -0.55 8.47 8.59 1x9yB1 GLN 236 HA 0.25 0.32 0.99 -0.75 4.36 5.17 1x9yB1 GLN 236 HB2 0.31 0.09 -0.19 -0.04 2.15 2.32 1x9yB1 GLN 236 HB3 0.35 -0.09 -0.01 -0.04 2.02 2.24 1x9yB1 GLN 236 HG2 0.38 -0.10 -0.54 -0.04 2.40 2.10 1x9yB1 GLN 236 HG3 0.23 0.15 -0.17 -0.04 2.39 2.56 1x9yB1 GLN 236 HE21 0.12 -0.14 -0.00 -0.04 6.97 6.89 1x9yB1 GLN 236 HE22 0.20 0.69 0.00 -0.04 7.69 8.54 1x9yB1 GLN 237 H -0.41 0.76 0.20 -0.55 8.47 8.48 1x9yB1 GLN 237 HA -0.75 -0.02 0.67 -0.75 4.36 3.50 1x9yB1 GLN 237 HB2 -1.62 -0.07 -0.06 -0.04 2.15 0.36 1x9yB1 GLN 237 HB3 -0.43 0.03 -0.11 -0.04 2.02 1.48 1x9yB1 GLN 237 HG2 0.10 0.08 -0.34 -0.04 2.40 2.20 1x9yB1 GLN 237 HG3 -0.14 -0.12 -0.12 -0.04 2.39 1.98 1x9yB1 GLN 237 HE21 0.17 -0.15 -0.13 -0.04 6.97 6.82 1x9yB1 GLN 237 HE22 0.10 0.58 0.05 -0.04 7.69 8.37 1x9yB1 PHE 238 H -0.66 -0.07 0.22 -0.55 8.34 7.28 1x9yB1 PHE 238 HA -0.07 0.22 0.71 -0.75 4.62 4.73 1x9yB1 PHE 238 HB2 -0.06 -0.03 0.11 -0.04 3.15 3.13 1x9yB1 PHE 238 HB3 -0.03 0.13 -0.13 -0.04 3.06 3.00 1x9yB1 PHE 238 HD2 -0.01 0.01 -0.32 -0.04 7.28 6.92 1x9yB1 PHE 238 HE2 0.04 -0.01 -0.02 -0.04 7.38 7.36 1x9yB1 PHE 238 HZ 0.05 -0.00 0.00 -0.04 7.32 7.33 1x9yB1 ASP 239 H -0.39 -0.09 0.15 -0.55 8.40 7.53 1x9yB1 ASP 239 HA -0.05 0.22 0.75 -0.75 4.63 4.79 1x9yB1 ASP 239 HB2 -0.02 0.04 0.22 -0.04 2.71 2.91 1x9yB1 ASP 239 HB3 0.19 0.09 -0.08 -0.04 2.70 2.86 1x9yB1 ASN 240 H -0.22 0.27 0.10 -0.55 8.53 8.14 1x9yB1 ASN 240 HA -0.38 0.28 0.49 -0.75 4.76 4.39 1x9yB1 ASN 240 HB2 -1.74 0.07 0.20 -0.04 2.88 1.37 1x9yB1 ASN 240 HB3 -1.00 0.18 -0.07 -0.04 2.79 1.86 1x9yB1 ASN 240 HD21 0.14 0.01 -0.06 -0.04 7.03 7.08 1x9yB1 ASN 240 HD22 -0.66 0.13 -0.14 -0.04 7.74 7.02 1x9yB1 SER 241 H -0.33 0.70 0.15 -0.55 8.46 8.44 1x9yB1 SER 241 HA 0.04 0.19 0.72 -0.75 4.49 4.69 1x9yB1 SER 241 HB2 0.07 -0.15 0.11 -0.04 3.95 3.94 1x9yB1 SER 241 HB3 0.02 -0.00 -0.33 -0.04 3.93 3.58 1x9yB1 TRP 242 H 0.00 0.14 -0.42 -0.55 7.97 7.13 1x9yB1 TRP 242 HA 0.03 0.18 0.54 -0.75 4.62 4.63 1x9yB1 TRP 242 HB2 0.28 -0.00 0.02 -0.04 3.23 3.49 1x9yB1 TRP 242 HB3 0.00 -0.09 0.12 -0.04 3.23 3.21 1x9yB1 TRP 242 HD1 0.01 0.16 -0.23 -0.04 7.22 7.12 1x9yB1 TRP 242 HE1 -0.01 0.66 -0.07 -0.04 10.20 10.74 1x9yB1 TRP 242 HE3 -0.08 -0.11 -0.17 -0.04 7.59 7.20 1x9yB1 TRP 242 HZ2 0.00 -0.04 -0.42 -0.04 7.44 6.94 1x9yB1 TRP 242 HZ3 0.06 -0.03 -0.08 -0.04 7.13 7.04 1x9yB1 TRP 242 HH2 0.16 0.05 -0.06 -0.04 7.19 7.30 1x9yB1 CYS 243 H 0.15 0.38 -0.44 -0.55 8.50 8.04 1x9yB1 CYS 243 HA -0.00 0.08 0.36 -0.75 4.58 4.26 1x9yB1 CYS 243 HB2 -0.51 0.17 0.19 -0.04 2.97 2.78 1x9yB1 CYS 243 HB3 -0.05 0.11 0.13 -0.04 2.97 3.13 1x9yB1 ALA 244 H 0.01 0.14 -0.15 -0.55 8.40 7.86 1x9yB1 ALA 244 HA -0.07 0.12 0.38 -0.75 4.34 4.02 1x9yB1 ALA 244 HB3 -0.05 0.02 -0.03 -0.04 1.41 1.31 1x9yB1 GLY 245 H 0.04 0.08 -0.25 -0.55 8.43 7.75 1x9yB1 GLY 245 HA2 -0.14 0.07 0.32 -0.51 4.01 3.75 1x9yB1 GLY 245 HA3 -0.14 0.08 0.27 -0.51 4.01 3.71 1x9yB1 PHE 246 H 0.28 0.62 -0.16 -0.55 8.34 8.53 1x9yB1 PHE 246 HA 0.18 -0.06 0.37 -0.75 4.62 4.36 1x9yB1 PHE 246 HB2 -0.01 0.08 0.11 -0.04 3.15 3.29 1x9yB1 PHE 246 HB3 0.09 0.06 -0.03 -0.04 3.06 3.14 1x9yB1 PHE 246 HD2 0.30 0.15 -0.17 -0.04 7.28 7.52 1x9yB1 PHE 246 HE2 0.18 -0.04 -0.24 -0.04 7.38 7.24 1x9yB1 PHE 246 HZ 0.05 0.07 -0.13 -0.04 7.32 7.26 1x9yB1 SER 247 H 0.11 0.45 -0.26 -0.55 8.46 8.22 1x9yB1 SER 247 HA 0.36 0.05 0.39 -0.75 4.49 4.54 1x9yB1 SER 247 HB2 -0.02 0.05 0.06 -0.04 3.95 4.00 1x9yB1 SER 247 HB3 0.02 0.00 -0.19 -0.04 3.93 3.72 1x9yB1 MET 248 H 0.03 0.60 -0.09 -0.55 8.47 8.47 1x9yB1 MET 248 HA 0.03 0.05 0.44 -0.75 4.52 4.29 1x9yB1 MET 248 HB2 -0.06 0.03 0.04 -0.04 2.15 2.13 1x9yB1 MET 248 HB3 -0.01 0.01 -0.09 -0.04 2.03 1.91 1x9yB1 MET 248 HG2 0.01 -0.01 -0.06 -0.04 2.63 2.53 1x9yB1 MET 248 HG3 -0.02 0.10 -0.03 -0.04 2.56 2.57 1x9yB1 MET 248 HE3 -0.09 -0.03 -0.19 -0.04 2.10 1.74 1x9yB1 ALA 249 H 0.02 0.59 -0.23 -0.55 8.40 8.24 1x9yB1 ALA 249 HA -0.01 0.01 0.26 -0.75 4.34 3.84 1x9yB1 ALA 249 HB3 0.02 0.04 -0.28 -0.04 1.41 1.15 1x9yB1 ALA 250 H 0.14 0.41 -0.28 -0.55 8.40 8.12 1x9yB1 ALA 250 HA -0.19 0.12 0.46 -0.75 4.34 3.97 1x9yB1 ALA 250 HB3 -0.19 0.01 0.09 -0.04 1.41 1.28 1x9yB1 LEU 251 H 0.10 0.44 -0.19 -0.55 8.37 8.17 1x9yB1 LEU 251 HA 0.17 0.06 0.46 -0.75 4.35 4.29 1x9yB1 LEU 251 HB2 0.05 0.02 0.16 -0.04 1.64 1.83 1x9yB1 LEU 251 HB3 0.05 -0.06 -0.00 -0.04 1.64 1.59 1x9yB1 LEU 251 HG 0.22 0.15 0.08 -0.04 1.64 2.06 1x9yB1 LEU 251 HD13 0.05 -0.03 -0.21 -0.04 0.93 0.70 1x9yB1 LEU 251 HD23 0.16 -0.01 0.07 -0.04 0.89 1.07 1x9yB1 LEU 252 H -0.09 0.79 -0.05 -0.55 8.37 8.47 1x9yB1 LEU 252 HA -0.14 0.06 0.37 -0.75 4.35 3.89 1x9yB1 LEU 252 HB2 -0.54 0.05 0.08 -0.04 1.64 1.18 1x9yB1 LEU 252 HB3 -0.98 -0.01 -0.07 -0.04 1.64 0.54 1x9yB1 LEU 252 HG -0.16 -0.03 0.00 -0.04 1.64 1.42 1x9yB1 LEU 252 HD13 -0.33 -0.03 -0.15 -0.04 0.93 0.38 1x9yB1 LEU 252 HD23 -0.19 0.01 -0.05 -0.04 0.89 0.62 1x9yB1 ASN 253 H -0.06 0.53 -0.27 -0.55 8.53 8.19 1x9yB1 ASN 253 HA 0.13 -0.10 0.35 -0.75 4.76 4.38 1x9yB1 ASN 253 HB2 -0.07 0.07 0.18 -0.04 2.88 3.02 1x9yB1 ASN 253 HB3 -0.04 0.19 0.12 -0.04 2.79 3.02 1x9yB1 ASN 253 HD21 0.08 0.35 -0.05 -0.04 7.03 7.37 1x9yB1 ASN 253 HD22 -0.02 -0.05 -0.11 -0.04 7.74 7.53 1x9yB1 ALA 254 H -0.04 0.30 -0.46 -0.55 8.40 7.65 1x9yB1 ALA 254 HA -0.02 0.16 0.40 -0.75 4.34 4.13 1x9yB1 ALA 254 HB3 0.07 -0.02 0.03 -0.04 1.41 1.45 1x9yB1 THR 255 H 0.01 0.65 0.08 -0.55 8.28 8.47 1x9yB1 THR 255 HA 0.01 0.07 0.51 -0.75 4.39 4.23 1x9yB1 THR 255 HB -0.01 0.15 0.21 -0.04 4.32 4.62 1x9yB1 THR 255 HG23 0.01 -0.03 -0.03 -0.04 1.22 1.13 1x9yB1 LYS 256 H 0.02 0.24 -0.51 -0.55 8.42 7.61 1x9yB1 LYS 256 HA 0.03 0.18 0.84 -0.75 4.32 4.61 1x9yB1 LYS 256 HB2 0.12 -0.04 -0.03 -0.04 1.87 1.88 1x9yB1 LYS 256 HB3 0.07 -0.07 0.10 -0.04 1.79 1.86 1x9yB1 LYS 256 HG2 0.01 -0.07 -0.40 -0.04 1.46 0.95 1x9yB1 LYS 256 HG3 0.01 0.05 0.01 -0.04 1.46 1.48 1x9yB1 LYS 256 HD2 0.05 -0.03 0.01 -0.04 1.69 1.67 1x9yB1 LYS 256 HD3 0.01 0.05 -0.04 -0.04 1.68 1.66 1x9yB1 LYS 256 HE2 0.06 -0.09 -0.02 -0.04 2.99 2.90 1x9yB1 LYS 256 HE3 0.22 -0.10 -0.02 -0.04 2.99 3.04 1x9yB1 ASN 257 H 0.02 0.23 -0.38 -0.55 8.53 7.85 1x9yB1 ASN 257 HA 0.01 0.13 0.43 -0.75 4.76 4.58 1x9yB1 ASN 257 HB2 0.01 0.00 -0.01 -0.04 2.88 2.84 1x9yB1 ASN 257 HB3 0.01 0.05 -0.09 -0.04 2.79 2.72 1x9yB1 ASN 257 HD21 0.00 -0.06 0.04 -0.04 7.03 6.97 1x9yB1 ASN 257 HD22 0.00 -0.02 0.04 -0.04 7.74 7.72 1x9yB1 THR 258 H 0.03 0.54 0.14 -0.55 8.28 8.45 1x9yB1 THR 258 HA 0.01 0.13 0.75 -0.75 4.39 4.52 1x9yB1 THR 258 HB 0.04 0.25 -0.17 -0.04 4.32 4.40 1x9yB1 THR 258 HG23 0.17 -0.03 -0.17 -0.04 1.22 1.15 1x9yB1 ASP 259 H -0.01 0.10 0.15 -0.55 8.40 8.09 1x9yB1 ASP 259 HA 0.00 0.25 0.86 -0.75 4.63 4.99 1x9yB1 ASP 259 HB2 -0.02 0.01 0.17 -0.04 2.71 2.83 1x9yB1 ASP 259 HB3 -0.02 0.10 -0.09 -0.04 2.70 2.64 1x9yB1 THR 260 H -0.04 0.08 0.04 -0.55 8.28 7.81 1x9yB1 THR 260 HA -0.07 0.19 0.60 -0.75 4.39 4.35 1x9yB1 THR 260 HB -0.19 0.00 0.07 -0.04 4.32 4.16 1x9yB1 THR 260 HG23 -0.08 -0.01 0.01 -0.04 1.22 1.09 1x9yB1 TYR 261 H 0.10 0.07 -0.20 -0.55 8.29 7.71 1x9yB1 TYR 261 HA -0.00 0.08 0.62 -0.75 4.56 4.50 1x9yB1 TYR 261 HB2 -0.01 0.13 0.03 -0.04 3.06 3.17 1x9yB1 TYR 261 HB3 0.01 -0.08 -0.03 -0.04 2.98 2.84 1x9yB1 TYR 261 HD2 0.06 -0.03 -0.14 -0.04 7.15 6.99 1x9yB1 TYR 261 HE2 0.03 0.06 -0.12 -0.04 6.85 6.78 1x9yB1 ASN 262 H 0.06 0.24 0.18 -0.55 8.53 8.47 1x9yB1 ASN 262 HA -0.02 0.16 0.46 -0.75 4.76 4.61 1x9yB1 ASN 262 HB2 -0.02 -0.10 0.07 -0.04 2.88 2.79 1x9yB1 ASN 262 HB3 0.01 0.29 -0.16 -0.04 2.79 2.88 1x9yB1 ASN 262 HD21 -0.01 0.01 -0.03 -0.04 7.03 6.96 1x9yB1 ASN 262 HD22 -0.01 0.24 -0.31 -0.04 7.74 7.62 1x9yB1 ALA 263 H -0.31 0.23 0.03 -0.55 8.40 7.81 1x9yB1 ALA 263 HA -0.33 0.09 0.22 -0.75 4.34 3.57 1x9yB1 ALA 263 HB3 -0.83 0.02 -0.06 -0.04 1.41 0.49 1x9yB1 HIS 264 H -0.07 0.13 -0.16 -0.55 8.41 7.77 1x9yB1 HIS 264 HA -1.02 0.09 0.36 -0.75 4.63 3.31 1x9yB1 HIS 264 HB2 0.12 0.03 0.05 -0.04 3.26 3.42 1x9yB1 HIS 264 HB3 -0.06 -0.01 0.05 -0.04 3.20 3.13 1x9yB1 HIS 264 HD2 0.26 0.01 -0.02 -0.04 6.97 7.17 1x9yB1 HIS 264 HE1 -0.03 0.05 -0.09 -0.04 7.75 7.63 1x9yB1 ASP 265 H -0.01 0.11 -0.21 -0.55 8.40 7.74 1x9yB1 ASP 265 HA -0.06 0.08 0.33 -0.75 4.63 4.23 1x9yB1 ASP 265 HB2 -0.02 0.01 0.08 -0.04 2.71 2.74 1x9yB1 ASP 265 HB3 -0.01 0.07 0.00 -0.04 2.70 2.72 1x9yB1 ILE 266 H -0.24 0.33 -0.28 -0.55 8.25 7.51 1x9yB1 ILE 266 HA -0.32 0.11 0.40 -0.75 4.18 3.62 1x9yB1 ILE 266 HB -0.38 0.01 0.10 -0.04 1.89 1.58 1x9yB1 ILE 266 HG12 -0.22 0.05 -0.05 -0.04 1.49 1.23 1x9yB1 ILE 266 HG13 -0.09 0.12 0.03 -0.04 1.21 1.22 1x9yB1 ILE 266 HG23 -0.85 -0.01 -0.16 -0.04 0.93 -0.13 1x9yB1 ILE 266 HD13 -0.14 0.01 -0.14 -0.04 0.88 0.56 1x9yB1 MET 267 H -0.59 0.51 -0.08 -0.55 8.47 7.76 1x9yB1 MET 267 HA -0.36 -0.02 0.34 -0.75 4.52 3.73 1x9yB1 MET 267 HB2 -1.15 0.11 0.09 -0.04 2.15 1.16 1x9yB1 MET 267 HB3 -0.59 0.02 -0.04 -0.04 2.03 1.38 1x9yB1 MET 267 HG2 -1.05 0.20 0.07 -0.04 2.63 1.81 1x9yB1 MET 267 HG3 -2.43 -0.02 -0.06 -0.04 2.56 0.00 1x9yB1 MET 267 HE3 0.07 0.05 -0.24 -0.04 2.10 1.95 1x9yB1 ARG 268 H -0.48 0.54 -0.24 -0.55 8.46 7.73 1x9yB1 ARG 268 HA -0.18 0.08 0.31 -0.75 4.34 3.79 1x9yB1 ARG 268 HB2 -0.42 -0.05 0.01 -0.04 1.90 1.40 1x9yB1 ARG 268 HB3 -0.21 0.07 0.09 -0.04 1.80 1.71 1x9yB1 ARG 268 HG2 -0.00 -0.06 -0.05 -0.04 1.67 1.51 1x9yB1 ARG 268 HG3 -0.05 0.03 -0.26 -0.04 1.67 1.35 1x9yB1 ARG 268 HD2 -0.01 0.00 0.00 -0.04 3.22 3.18 1x9yB1 ARG 268 HD3 -0.05 0.02 0.04 -0.04 3.22 3.20 1x9yB1 THR 269 H -0.18 0.41 -0.34 -0.55 8.28 7.62 1x9yB1 THR 269 HA -0.04 0.02 0.39 -0.75 4.39 4.01 1x9yB1 THR 269 HB -0.06 0.13 0.15 -0.04 4.32 4.49 1x9yB1 THR 269 HG23 0.12 -0.02 -0.10 -0.04 1.22 1.18 1x9yB1 LEU 270 H -0.24 0.31 -0.28 -0.55 8.37 7.61 1x9yB1 LEU 270 HA -0.23 0.08 0.58 -0.75 4.35 4.03 1x9yB1 LEU 270 HB2 -0.55 0.08 0.06 -0.04 1.64 1.19 1x9yB1 LEU 270 HB3 -0.68 -0.10 0.04 -0.04 1.64 0.86 1x9yB1 LEU 270 HG -0.31 0.23 -0.02 -0.04 1.64 1.50 1x9yB1 LEU 270 HD13 -0.25 -0.06 -0.12 -0.04 0.93 0.46 1x9yB1 LEU 270 HD23 -0.11 -0.01 -0.07 -0.04 0.89 0.66 1x9yB1 TYR 271 H -0.12 0.45 -0.29 -0.55 8.29 7.78 1x9yB1 TYR 271 HA -0.02 0.12 0.79 -0.75 4.56 4.70 1x9yB1 TYR 271 HB2 -0.07 0.08 0.16 -0.04 3.06 3.19 1x9yB1 TYR 271 HB3 -0.01 -0.14 0.12 -0.04 2.98 2.90 1x9yB1 TYR 271 HD2 -0.05 0.03 -0.01 -0.04 7.15 7.08 1x9yB1 TYR 271 HE2 0.00 -0.02 -0.09 -0.04 6.85 6.70 1x9yB1 PRO 272 HA 0.01 0.16 0.49 -0.51 4.44 4.58 1x9yB1 PRO 272 HB2 0.01 -0.05 0.06 -0.04 2.28 2.26 1x9yB1 PRO 272 HB3 -0.01 0.10 0.10 -0.04 2.02 2.18 1x9yB1 PRO 272 HG2 0.02 -0.05 -0.03 -0.04 2.03 1.93 1x9yB1 PRO 272 HG3 -0.00 0.05 0.01 -0.04 2.03 2.05 1x9yB1 PRO 272 HD2 0.02 0.06 -0.00 -0.04 3.68 3.72 1x9yB1 PRO 272 HD3 -0.04 0.32 -0.32 -0.04 3.65 3.57 1x9yB1 GLU 273 H 0.08 0.04 -0.51 -0.55 8.60 7.65 1x9yB1 GLU 273 HA 0.03 0.24 0.86 -0.75 4.29 4.67 1x9yB1 GLU 273 HB2 0.06 -0.01 -0.01 -0.04 2.09 2.08 1x9yB1 GLU 273 HB3 0.04 -0.03 0.11 -0.04 1.99 2.06 1x9yB1 GLU 273 HG2 0.03 0.02 -0.06 -0.04 2.34 2.28 1x9yB1 GLU 273 HG3 0.03 -0.02 -0.24 -0.04 2.34 2.07 1x9yB1 VAL 274 H 0.07 0.42 -0.16 -0.55 8.24 8.02 1x9yB1 VAL 274 HA 0.03 0.08 0.75 -0.75 4.13 4.23 1x9yB1 VAL 274 HB 0.04 0.13 0.05 -0.04 2.12 2.29 1x9yB1 VAL 274 HG13 -0.01 0.04 -0.18 -0.04 0.97 0.78 1x9yB1 VAL 274 HG23 -0.03 -0.02 -0.06 -0.04 0.95 0.79 1x9yB1 SER 275 H 0.03 0.08 0.14 -0.55 8.46 8.17 1x9yB1 SER 275 HA 0.04 0.19 0.43 -0.75 4.49 4.40 1x9yB1 SER 275 HB2 0.04 -0.02 0.13 -0.04 3.95 4.06 1x9yB1 SER 275 HB3 0.03 0.14 0.13 -0.04 3.93 4.19 1x9yB1 GLU 276 H 0.07 0.21 0.17 -0.55 8.60 8.50 1x9yB1 GLU 276 HA 0.14 0.13 0.39 -0.75 4.29 4.20 1x9yB1 GLU 276 HB2 0.08 -0.02 0.12 -0.04 2.09 2.24 1x9yB1 GLU 276 HB3 0.12 0.03 0.09 -0.04 1.99 2.19 1x9yB1 GLU 276 HG2 0.11 0.03 0.07 -0.04 2.34 2.51 1x9yB1 GLU 276 HG3 0.11 0.02 0.05 -0.04 2.34 2.47 1x9yB1 GLN 277 H 0.06 -0.04 -0.57 -0.55 8.47 7.38 1x9yB1 GLN 277 HA 0.06 0.26 0.86 -0.75 4.36 4.79 1x9yB1 GLN 277 HB2 0.04 -0.02 -0.00 -0.04 2.15 2.13 1x9yB1 GLN 277 HB3 0.03 -0.01 -0.02 -0.04 2.02 1.98 1x9yB1 GLN 277 HG2 0.02 0.02 0.03 -0.04 2.40 2.44 1x9yB1 GLN 277 HG3 0.03 0.04 0.08 -0.04 2.39 2.50 1x9yB1 GLN 277 HE21 0.02 0.00 -0.00 -0.04 6.97 6.95 1x9yB1 GLN 277 HE22 0.02 0.02 0.01 -0.04 7.69 7.69 1x9yB1 ASP 278 H 0.06 0.23 -0.10 -0.55 8.40 8.04 1x9yB1 ASP 278 HA 0.03 0.22 0.82 -0.75 4.63 4.95 1x9yB1 ASP 278 HB2 0.02 -0.05 0.08 -0.04 2.71 2.73 1x9yB1 ASP 278 HB3 0.00 0.02 0.09 -0.04 2.70 2.77 1x9yB1 LEU 279 H 0.12 0.18 -0.24 -0.55 8.37 7.89 1x9yB1 LEU 279 HA 0.12 0.06 0.38 -0.75 4.35 4.15 1x9yB1 LEU 279 HB2 0.13 0.14 -0.02 -0.04 1.64 1.86 1x9yB1 LEU 279 HB3 0.39 0.05 -0.02 -0.04 1.64 2.02 1x9yB1 LEU 279 HG 0.06 -0.08 -0.17 -0.04 1.64 1.41 1x9yB1 LEU 279 HD13 -0.02 0.03 -0.13 -0.04 0.93 0.76 1x9yB1 LEU 279 HD23 -0.23 0.01 -0.10 -0.04 0.89 0.53 1x9yB1 PRO 280 HA -0.46 -0.05 0.39 -0.51 4.44 3.81 1x9yB1 PRO 280 HB2 -0.10 0.09 -0.03 -0.04 2.28 2.20 1x9yB1 PRO 280 HB3 -0.37 0.11 0.21 -0.04 2.02 1.94 1x9yB1 PRO 280 HG2 -0.00 0.11 0.05 -0.04 2.03 2.15 1x9yB1 PRO 280 HG3 -0.02 -0.03 0.03 -0.04 2.03 1.98 1x9yB1 PRO 280 HD2 0.09 0.19 -0.49 -0.04 3.68 3.43 1x9yB1 PRO 280 HD3 0.25 0.11 -0.08 -0.04 3.65 3.89 1x9yB1 ASN 281 H 0.07 0.23 -0.75 -0.55 8.53 7.53 1x9yB1 ASN 281 HA -0.00 0.06 0.65 -0.75 4.76 4.71 1x9yB1 ASN 281 HB2 0.01 0.14 0.02 -0.04 2.88 3.01 1x9yB1 ASN 281 HB3 0.01 -0.04 0.00 -0.04 2.79 2.72 1x9yB1 ASN 281 HD21 -0.00 0.05 -0.01 -0.04 7.03 7.02 1x9yB1 ASN 281 HD22 0.01 -0.02 0.05 -0.04 7.74 7.74 1x9yB1 CYS 282 H 0.11 0.28 -0.09 -0.55 8.50 8.25 1x9yB1 CYS 282 HA -0.06 -0.01 0.50 -0.75 4.58 4.26 1x9yB1 CYS 282 HB2 -0.09 0.10 0.16 -0.04 2.97 3.10 1x9yB1 CYS 282 HB3 -0.53 0.03 -0.02 -0.04 2.97 2.41 1x9yB1 ALA 283 H 0.01 0.09 0.19 -0.55 8.40 8.15 1x9yB1 ALA 283 HA 0.05 0.17 0.81 -0.75 4.34 4.62 1x9yB1 ALA 283 HB3 -0.13 0.01 0.10 -0.04 1.41 1.35 1x9yB1 THR 284 H -0.21 0.11 0.18 -0.55 8.28 7.81 1x9yB1 THR 284 HA -0.10 0.25 0.84 -0.75 4.39 4.63 1x9yB1 THR 284 HB -0.11 -0.08 -0.03 -0.04 4.32 4.07 1x9yB1 THR 284 HG23 -0.08 0.02 -0.10 -0.04 1.22 1.03 1x9yB1 PHE 285 H 0.03 0.20 0.15 -0.55 8.34 8.18 1x9yB1 PHE 285 HA 0.06 0.26 0.86 -0.75 4.62 5.05 1x9yB1 PHE 285 HB2 0.06 -0.03 0.03 -0.04 3.15 3.17 1x9yB1 PHE 285 HB3 0.05 0.00 0.05 -0.04 3.06 3.13 1x9yB1 PHE 285 HD2 0.11 -0.01 -0.01 -0.04 7.28 7.33 1x9yB1 PHE 285 HE2 0.16 0.01 -0.03 -0.04 7.38 7.48 1x9yB1 PHE 285 HZ 0.13 0.01 -0.04 -0.04 7.32 7.38 1x9yB1 PRO 286 HA 0.09 0.05 0.35 -0.51 4.44 4.42 1x9yB1 PRO 286 HB2 0.05 -0.01 0.11 -0.04 2.28 2.39 1x9yB1 PRO 286 HB3 0.03 0.09 0.03 -0.04 2.02 2.14 1x9yB1 PRO 286 HG2 0.09 0.14 0.08 -0.04 2.03 2.30 1x9yB1 PRO 286 HG3 0.12 0.05 0.06 -0.04 2.03 2.23 1x9yB1 PRO 286 HD2 0.29 0.14 0.19 -0.04 3.68 4.27 1x9yB1 PRO 286 HD3 0.29 0.18 0.24 -0.04 3.65 4.31 1x9yB1 ASN 287 H 0.09 0.14 -0.14 -0.55 8.53 8.07 1x9yB1 ASN 287 HA 0.04 0.09 0.39 -0.75 4.76 4.52 1x9yB1 ASN 287 HB2 0.03 0.07 0.05 -0.04 2.88 2.99 1x9yB1 ASN 287 HB3 0.03 0.02 0.09 -0.04 2.79 2.89 1x9yB1 ASN 287 HD21 0.10 0.05 -0.02 -0.04 7.03 7.11 1x9yB1 ASN 287 HD22 0.05 -0.01 -0.01 -0.04 7.74 7.74 1x9yB1 GLN 288 H 0.10 0.21 -0.17 -0.55 8.47 8.06 1x9yB1 GLN 288 HA 0.03 0.10 0.45 -0.75 4.36 4.18 1x9yB1 GLN 288 HB2 0.04 -0.04 0.19 -0.04 2.15 2.29 1x9yB1 GLN 288 HB3 -0.05 0.04 0.00 -0.04 2.02 1.97 1x9yB1 GLN 288 HG2 -0.02 0.09 0.05 -0.04 2.40 2.48 1x9yB1 GLN 288 HG3 0.11 -0.08 0.06 -0.04 2.39 2.43 1x9yB1 GLN 288 HE21 -0.40 0.07 -0.00 -0.04 6.97 6.59 1x9yB1 GLN 288 HE22 -0.30 0.09 0.03 -0.04 7.69 7.48 1x9yB1 MET 289 H 0.06 0.37 -0.14 -0.55 8.47 8.21 1x9yB1 MET 289 HA 0.05 0.02 0.32 -0.75 4.52 4.16 1x9yB1 MET 289 HB2 0.06 0.13 0.07 -0.04 2.15 2.37 1x9yB1 MET 289 HB3 0.05 0.01 -0.09 -0.04 2.03 1.96 1x9yB1 MET 289 HG2 -0.01 -0.02 -0.14 -0.04 2.63 2.42 1x9yB1 MET 289 HG3 0.02 -0.02 -0.23 -0.04 2.56 2.29 1x9yB1 MET 289 HE3 0.04 -0.03 -0.37 -0.04 2.10 1.70 1x9yB1 ILE 290 H 0.07 0.58 -0.09 -0.55 8.25 8.25 1x9yB1 ILE 290 HA 0.07 -0.00 0.35 -0.75 4.18 3.84 1x9yB1 ILE 290 HB 0.04 0.07 0.14 -0.04 1.89 2.10 1x9yB1 ILE 290 HG12 0.08 0.05 -0.11 -0.04 1.49 1.46 1x9yB1 ILE 290 HG13 0.08 0.00 -0.03 -0.04 1.21 1.22 1x9yB1 ILE 290 HG23 0.02 0.01 -0.10 -0.04 0.93 0.83 1x9yB1 ILE 290 HD13 0.04 -0.03 -0.06 -0.04 0.88 0.80 1x9yB1 GLU 291 H 0.05 0.50 -0.12 -0.55 8.60 8.48 1x9yB1 GLU 291 HA 0.02 0.01 0.43 -0.75 4.29 4.00 1x9yB1 GLU 291 HB2 0.02 0.03 0.15 -0.04 2.09 2.26 1x9yB1 GLU 291 HB3 0.04 0.06 0.16 -0.04 1.99 2.21 1x9yB1 GLU 291 HG2 0.02 0.01 -0.12 -0.04 2.34 2.21 1x9yB1 GLU 291 HG3 0.01 -0.03 0.06 -0.04 2.34 2.34 1x9yB1 TYR 292 H 0.14 0.60 -0.20 -0.55 8.29 8.28 1x9yB1 TYR 292 HA -0.02 0.04 0.44 -0.75 4.56 4.26 1x9yB1 TYR 292 HB2 -0.05 0.00 0.06 -0.04 3.06 3.03 1x9yB1 TYR 292 HB3 -0.03 0.05 0.12 -0.04 2.98 3.08 1x9yB1 TYR 292 HD2 -0.05 0.02 -0.13 -0.04 7.15 6.95 1x9yB1 TYR 292 HE2 -0.05 0.01 -0.10 -0.04 6.85 6.66 1x9yB1 GLY 293 H 0.09 0.61 -0.04 -0.55 8.43 8.55 1x9yB1 GLY 293 HA2 -0.10 -0.00 0.30 -0.51 4.01 3.70 1x9yB1 GLY 293 HA3 0.01 0.03 0.26 -0.51 4.01 3.80 1x9yB1 LYS 294 H -0.02 0.41 -0.30 -0.55 8.42 7.97 1x9yB1 LYS 294 HA -0.01 0.10 0.42 -0.75 4.32 4.07 1x9yB1 LYS 294 HB2 0.00 0.05 0.17 -0.04 1.87 2.05 1x9yB1 LYS 294 HB3 -0.02 0.17 0.17 -0.04 1.79 2.07 1x9yB1 LYS 294 HG2 -0.01 -0.01 -0.12 -0.04 1.46 1.27 1x9yB1 LYS 294 HG3 0.00 -0.03 0.04 -0.04 1.46 1.43 1x9yB1 LYS 294 HD2 0.01 -0.02 0.02 -0.04 1.69 1.65 1x9yB1 LYS 294 HD3 -0.00 0.01 0.02 -0.04 1.68 1.67 1x9yB1 LYS 294 HE2 -0.00 0.00 -0.02 -0.04 2.99 2.93 1x9yB1 LYS 294 HE3 0.00 -0.01 -0.00 -0.04 2.99 2.94 1x9yB1 SER 295 H -0.12 0.39 -0.17 -0.55 8.46 8.02 1x9yB1 SER 295 HA -0.07 0.01 0.43 -0.75 4.49 4.11 1x9yB1 SER 295 HB2 -0.10 -0.07 0.13 -0.04 3.95 3.87 1x9yB1 SER 295 HB3 -0.09 -0.01 0.14 -0.04 3.93 3.93 1x9yB1 GLN 296 H -0.18 0.35 -0.76 -0.55 8.47 7.34 1x9yB1 GLN 296 HA -0.06 0.14 0.86 -0.75 4.36 4.55 1x9yB1 GLN 296 HB2 -0.19 0.04 0.05 -0.04 2.15 2.01 1x9yB1 GLN 296 HB3 -0.06 -0.06 0.12 -0.04 2.02 1.98 1x9yB1 GLN 296 HG2 -0.81 0.23 -0.14 -0.04 2.40 1.63 1x9yB1 GLN 296 HG3 -0.38 -0.13 -0.11 -0.04 2.39 1.74 1x9yB1 GLN 296 HE21 -0.08 -0.03 -0.11 -0.04 6.97 6.71 1x9yB1 GLN 296 HE22 -0.46 -0.00 -0.21 -0.04 7.69 6.98 1x9yB1 GLY 297 H -0.05 0.44 -0.22 -0.55 8.43 8.05 1x9yB1 GLY 297 HA2 -0.01 -0.02 0.29 -0.51 4.01 3.76 1x9yB1 GLY 297 HA3 -0.01 0.03 0.41 -0.51 4.01 3.93 1x9yB1 ARG 298 H -0.02 0.48 -0.07 -0.55 8.46 8.30 1x9yB1 ARG 298 HA 0.03 0.19 0.78 -0.75 4.34 4.58 1x9yB1 ARG 298 HB2 -0.01 -0.09 -0.12 -0.04 1.90 1.64 1x9yB1 ARG 298 HB3 0.02 -0.05 -0.25 -0.04 1.80 1.48 1x9yB1 ARG 298 HG2 -0.02 0.12 -0.58 -0.04 1.67 1.15 1x9yB1 ARG 298 HG3 -0.04 -0.11 -0.17 -0.04 1.67 1.31 1x9yB1 ARG 298 HD2 -0.01 0.06 -0.21 -0.04 3.22 3.02 1x9yB1 ARG 298 HD3 0.01 0.04 -0.08 -0.04 3.22 3.15 1x9yB1 ASP 299 H 0.09 0.77 -0.28 -0.55 8.40 8.43 1x9yB1 ASP 299 HA 0.12 0.06 0.69 -0.75 4.63 4.75 1x9yB1 ASP 299 HB2 0.10 -0.11 0.05 -0.04 2.71 2.71 1x9yB1 ASP 299 HB3 0.14 0.11 0.10 -0.04 2.70 3.01 1x9yB1 ILE 300 H 0.12 0.23 -0.00 -0.55 8.25 8.05 1x9yB1 ILE 300 HA 0.19 0.24 0.61 -0.75 4.18 4.47 1x9yB1 ILE 300 HB 0.10 -0.08 0.02 -0.04 1.89 1.89 1x9yB1 ILE 300 HG12 0.07 0.13 -0.10 -0.04 1.49 1.55 1x9yB1 ILE 300 HG13 0.07 -0.02 -0.13 -0.04 1.21 1.09 1x9yB1 ILE 300 HG23 0.11 -0.02 -0.36 -0.04 0.93 0.62 1x9yB1 ILE 300 HD13 0.05 0.00 -0.27 -0.04 0.88 0.62 1x9yB1 HIS 301 H 0.32 0.61 0.35 -0.55 8.41 9.15 1x9yB1 HIS 301 HA 0.13 0.15 0.99 -0.75 4.63 5.14 1x9yB1 HIS 301 HB2 0.25 0.01 0.11 -0.04 3.26 3.60 1x9yB1 HIS 301 HB3 0.11 0.05 0.01 -0.04 3.20 3.33 1x9yB1 HIS 301 HD2 0.12 -0.01 -0.94 -0.04 6.97 6.10 1x9yB1 HIS 301 HE1 -0.05 -0.03 -0.02 -0.04 7.75 7.61 1x9yB1 TYR 302 H 0.23 0.14 0.18 -0.55 8.29 8.29 1x9yB1 TYR 302 HA 0.11 0.27 0.90 -0.75 4.56 5.08 1x9yB1 TYR 302 HB2 0.08 -0.04 0.06 -0.04 3.06 3.11 1x9yB1 TYR 302 HB3 0.07 -0.02 0.14 -0.04 2.98 3.13 1x9yB1 TYR 302 HD2 0.09 0.01 -0.08 -0.04 7.15 7.13 1x9yB1 TYR 302 HE2 0.14 -0.03 -0.10 -0.04 6.85 6.81 1x9yB1 GLN 303 H -0.43 0.56 0.34 -0.55 8.47 8.39 1x9yB1 GLN 303 HA -0.24 0.10 0.88 -0.75 4.36 4.35 1x9yB1 GLN 303 HB2 -0.01 0.02 -0.18 -0.04 2.15 1.93 1x9yB1 GLN 303 HB3 -0.09 -0.02 0.05 -0.04 2.02 1.92 1x9yB1 GLN 303 HG2 -0.11 0.18 -0.25 -0.04 2.40 2.18 1x9yB1 GLN 303 HG3 -0.06 -0.03 0.02 -0.04 2.39 2.28 1x9yB1 GLN 303 HE21 0.05 -0.03 -0.06 -0.04 6.97 6.88 1x9yB1 GLN 303 HE22 0.06 0.03 -0.07 -0.04 7.69 7.67 1x9yB1 GLU 304 H -0.25 0.10 0.12 -0.55 8.60 8.03 1x9yB1 GLU 304 HA -0.17 0.08 0.60 -0.75 4.29 4.05 1x9yB1 GLU 304 HB2 0.05 -0.03 0.13 -0.04 2.09 2.21 1x9yB1 GLU 304 HB3 -0.02 -0.03 0.11 -0.04 1.99 2.00 1x9yB1 GLU 304 HG2 0.04 0.03 -0.11 -0.04 2.34 2.25 1x9yB1 GLU 304 HG3 0.16 0.06 0.15 -0.04 2.34 2.67 1x9yB1 GLY 305 H 0.06 0.68 0.37 -0.55 8.43 8.98 1x9yB1 GLY 305 HA2 -0.05 0.04 0.30 -0.51 4.01 3.79 1x9yB1 GLY 305 HA3 -0.10 0.01 0.42 -0.51 4.01 3.83 1x9yB1 VAL 306 H -0.27 0.06 0.09 -0.55 8.24 7.58 1x9yB1 VAL 306 HA -1.23 0.17 0.66 -0.75 4.13 2.98 1x9yB1 VAL 306 HB -0.37 -0.11 0.08 -0.04 2.12 1.69 1x9yB1 VAL 306 HG13 -0.92 0.08 -0.11 -0.04 0.97 -0.02 1x9yB1 VAL 306 HG23 -0.53 -0.01 0.00 -0.04 0.95 0.36 1x9yB1 PRO 307 HA -0.15 0.01 0.39 -0.51 4.44 4.17 1x9yB1 PRO 307 HB2 -0.07 -0.02 -0.07 -0.04 2.28 2.08 1x9yB1 PRO 307 HB3 -0.08 0.04 -0.01 -0.04 2.02 1.93 1x9yB1 PRO 307 HG2 -0.17 0.02 -0.02 -0.04 2.03 1.82 1x9yB1 PRO 307 HG3 0.07 0.02 -0.04 -0.04 2.03 2.03 1x9yB1 PRO 307 HD2 -1.31 0.06 0.14 -0.04 3.68 2.53 1x9yB1 PRO 307 HD3 -0.29 0.22 0.05 -0.04 3.65 3.60 1x9yB1 SER 308 H -0.08 0.06 0.15 -0.55 8.46 8.05 1x9yB1 SER 308 HA -0.05 0.19 0.42 -0.75 4.49 4.30 1x9yB1 SER 308 HB2 0.01 -0.03 0.13 -0.04 3.95 4.01 1x9yB1 SER 308 HB3 -0.03 0.15 0.14 -0.04 3.93 4.15 1x9yB1 TYR 309 H 0.12 0.18 0.14 -0.55 8.29 8.19 1x9yB1 TYR 309 HA -0.00 0.17 0.37 -0.75 4.56 4.34 1x9yB1 TYR 309 HB2 -0.01 0.04 0.12 -0.04 3.06 3.17 1x9yB1 TYR 309 HB3 -0.01 -0.07 0.14 -0.04 2.98 3.00 1x9yB1 TYR 309 HD2 0.01 0.01 -0.06 -0.04 7.15 7.08 1x9yB1 TYR 309 HE2 0.03 0.07 0.04 -0.04 6.85 6.95 1x9yB1 ASN 310 H 0.12 0.07 -0.15 -0.55 8.53 8.02 1x9yB1 ASN 310 HA -0.09 0.12 0.35 -0.75 4.76 4.38 1x9yB1 ASN 310 HB2 0.08 0.00 0.07 -0.04 2.88 2.99 1x9yB1 ASN 310 HB3 0.02 0.00 -0.02 -0.04 2.79 2.75 1x9yB1 ASN 310 HD21 0.01 0.06 -0.01 -0.04 7.03 7.04 1x9yB1 ASN 310 HD22 0.06 -0.02 -0.01 -0.04 7.74 7.73 1x9yB1 GLN 311 H -0.03 0.05 -0.33 -0.55 8.47 7.62 1x9yB1 GLN 311 HA -0.02 0.07 0.41 -0.75 4.36 4.06 1x9yB1 GLN 311 HB2 -0.02 -0.03 0.07 -0.04 2.15 2.13 1x9yB1 GLN 311 HB3 -0.04 0.07 0.07 -0.04 2.02 2.07 1x9yB1 GLN 311 HG2 -0.03 0.05 -0.28 -0.04 2.40 2.11 1x9yB1 GLN 311 HG3 -0.00 0.00 -0.01 -0.04 2.39 2.34 1x9yB1 GLN 311 HE21 -0.05 0.10 -0.04 -0.04 6.97 6.94 1x9yB1 GLN 311 HE22 -0.06 -0.18 0.06 -0.04 7.69 7.47 1x9yB1 VAL 312 H -0.07 0.54 -0.24 -0.55 8.24 7.92 1x9yB1 VAL 312 HA -0.05 0.02 0.28 -0.75 4.13 3.63 1x9yB1 VAL 312 HB -0.12 0.13 0.08 -0.04 2.12 2.17 1x9yB1 VAL 312 HG13 -0.03 0.01 -0.20 -0.04 0.97 0.71 1x9yB1 VAL 312 HG23 0.01 0.02 -0.09 -0.04 0.95 0.85 1x9yB1 ASP 313 H -0.19 0.36 -0.31 -0.55 8.40 7.71 1x9yB1 ASP 313 HA -0.12 0.04 0.36 -0.75 4.63 4.16 1x9yB1 ASP 313 HB2 -0.37 0.02 0.07 -0.04 2.71 2.39 1x9yB1 ASP 313 HB3 -0.12 0.10 0.12 -0.04 2.70 2.76 1x9yB1 GLN 314 H -0.06 0.49 -0.10 -0.55 8.47 8.26 1x9yB1 GLN 314 HA -0.02 0.05 0.46 -0.75 4.36 4.10 1x9yB1 GLN 314 HB2 -0.02 0.04 0.16 -0.04 2.15 2.30 1x9yB1 GLN 314 HB3 -0.00 -0.02 -0.01 -0.04 2.02 1.95 1x9yB1 GLN 314 HG2 -0.02 0.15 0.08 -0.04 2.40 2.56 1x9yB1 GLN 314 HG3 -0.01 -0.06 -0.01 -0.04 2.39 2.27 1x9yB1 GLN 314 HE21 -0.00 0.01 -0.05 -0.04 6.97 6.88 1x9yB1 GLN 314 HE22 -0.02 -0.03 -0.08 -0.04 7.69 7.53 1x9yB1 LEU 315 H -0.04 0.71 0.02 -0.55 8.37 8.51 1x9yB1 LEU 315 HA -0.04 0.01 0.33 -0.75 4.35 3.89 1x9yB1 LEU 315 HB2 -0.06 0.04 0.03 -0.04 1.64 1.61 1x9yB1 LEU 315 HB3 -0.10 0.06 -0.07 -0.04 1.64 1.49 1x9yB1 LEU 315 HG -0.03 0.09 0.03 -0.04 1.64 1.69 1x9yB1 LEU 315 HD13 -0.09 -0.02 -0.15 -0.04 0.93 0.63 1x9yB1 LEU 315 HD23 -0.06 -0.01 -0.07 -0.04 0.89 0.71 1x9yB1 THR 316 H -0.05 0.52 -0.37 -0.55 8.28 7.83 1x9yB1 THR 316 HA -0.03 0.05 0.37 -0.75 4.39 4.02 1x9yB1 THR 316 HB -0.05 0.11 0.09 -0.04 4.32 4.43 1x9yB1 THR 316 HG23 -0.04 0.00 -0.33 -0.04 1.22 0.82 1x9yB1 LYS 317 H -0.02 0.38 -0.23 -0.55 8.42 7.99 1x9yB1 LYS 317 HA -0.01 0.05 0.49 -0.75 4.32 4.09 1x9yB1 LYS 317 HB2 -0.00 0.09 0.21 -0.04 1.87 2.12 1x9yB1 LYS 317 HB3 0.00 -0.06 0.07 -0.04 1.79 1.76 1x9yB1 LYS 317 HG2 0.01 -0.04 0.07 -0.04 1.46 1.46 1x9yB1 LYS 317 HG3 0.00 0.02 0.04 -0.04 1.46 1.48 1x9yB1 LYS 317 HD2 0.02 0.03 -0.05 -0.04 1.69 1.64 1x9yB1 LYS 317 HD3 0.02 -0.05 0.01 -0.04 1.68 1.62 1x9yB1 LYS 317 HE2 0.08 -0.01 0.01 -0.04 2.99 3.02 1x9yB1 LYS 317 HE3 0.09 0.01 0.00 -0.04 2.99 3.04 1x9yB1 ASP 318 H -0.02 0.35 -0.34 -0.55 8.40 7.84 1x9yB1 ASP 318 HA -0.00 0.06 0.59 -0.75 4.63 4.53 1x9yB1 ASP 318 HB2 -0.02 0.04 0.07 -0.04 2.71 2.76 1x9yB1 ASP 318 HB3 0.00 -0.05 0.08 -0.04 2.70 2.69 1x9yB1 ASN 319 H -0.02 0.30 -0.61 -0.55 8.53 7.66 1x9yB1 ASN 319 HA -0.01 0.01 0.30 -0.75 4.76 4.31 1x9yB1 ASN 319 HB2 -0.00 -0.03 -0.27 -0.04 2.88 2.54 1x9yB1 ASN 319 HB3 -0.00 0.15 0.31 -0.04 2.79 3.21 1x9yB1 ASN 319 HD21 0.01 0.00 0.01 -0.04 7.03 7.02 1x9yB1 ASN 319 HD22 0.01 0.00 0.08 -0.04 7.74 7.79 1x9yB1 VAL 320 H -0.04 0.59 0.01 -0.55 8.24 8.25 1x9yB1 VAL 320 HA -0.07 0.22 0.88 -0.75 4.13 4.40 1x9yB1 VAL 320 HB -0.13 -0.06 0.03 -0.04 2.12 1.91 1x9yB1 VAL 320 HG13 -0.37 0.05 -0.36 -0.04 0.97 0.25 1x9yB1 VAL 320 HG23 -0.08 0.02 -0.19 -0.04 0.95 0.66 1x9yB1 GLY 321 H -0.06 0.23 0.12 -0.55 8.43 8.18 1x9yB1 GLY 321 HA2 -0.01 0.11 0.45 -0.51 4.01 4.05 1x9yB1 GLY 321 HA3 -0.00 0.01 0.28 -0.51 4.01 3.79 1x9yB1 ILE 322 H 0.00 0.26 0.20 -0.55 8.25 8.16 1x9yB1 ILE 322 HA -0.01 0.28 1.03 -0.75 4.18 4.73 1x9yB1 ILE 322 HB 0.04 -0.06 0.13 -0.04 1.89 1.95 1x9yB1 ILE 322 HG12 -0.05 0.03 -0.22 -0.04 1.49 1.21 1x9yB1 ILE 322 HG13 -0.04 0.12 -0.37 -0.04 1.21 0.88 1x9yB1 ILE 322 HG23 0.12 -0.02 -0.22 -0.04 0.93 0.78 1x9yB1 ILE 322 HD13 0.00 -0.01 -0.12 -0.04 0.88 0.71 1x9yB1 MET 323 H 0.02 0.66 0.31 -0.55 8.47 8.91 1x9yB1 MET 323 HA -0.05 0.21 1.19 -0.75 4.52 5.11 1x9yB1 MET 323 HB2 0.00 0.01 0.01 -0.04 2.15 2.12 1x9yB1 MET 323 HB3 -0.00 -0.11 0.16 -0.04 2.03 2.04 1x9yB1 MET 323 HG2 -0.11 0.04 -0.15 -0.04 2.63 2.37 1x9yB1 MET 323 HG3 -0.09 0.21 0.09 -0.04 2.56 2.74 1x9yB1 MET 323 HE3 -0.01 -0.03 -0.11 -0.04 2.10 1.91 1x9yB1 ILE 324 H -0.27 0.55 0.26 -0.55 8.25 8.24 1x9yB1 ILE 324 HA -0.34 0.20 0.67 -0.75 4.18 3.96 1x9yB1 ILE 324 HB -0.68 -0.20 0.07 -0.04 1.89 1.03 1x9yB1 ILE 324 HG12 -1.74 0.10 -0.10 -0.04 1.49 -0.30 1x9yB1 ILE 324 HG13 -0.49 -0.02 -0.17 -0.04 1.21 0.50 1x9yB1 ILE 324 HG23 -1.62 0.01 -0.27 -0.04 0.93 -0.98 1x9yB1 ILE 324 HD13 -1.00 -0.01 -0.21 -0.04 0.88 -0.38 1x9yB1 LEU 325 H -0.27 0.64 0.36 -0.55 8.37 8.56 1x9yB1 LEU 325 HA -0.22 0.14 0.99 -0.75 4.35 4.50 1x9yB1 LEU 325 HB2 -0.47 0.04 -0.00 -0.04 1.64 1.16 1x9yB1 LEU 325 HB3 -0.33 -0.03 -0.04 -0.04 1.64 1.20 1x9yB1 LEU 325 HG -0.03 0.03 -0.29 -0.04 1.64 1.32 1x9yB1 LEU 325 HD13 0.19 -0.01 -0.21 -0.04 0.93 0.86 1x9yB1 LEU 325 HD23 -0.02 0.02 -0.12 -0.04 0.89 0.72 1x9yB1 ALA 326 H -0.08 0.59 0.36 -0.55 8.40 8.73 1x9yB1 ALA 326 HA 0.13 0.34 1.11 -0.75 4.34 5.16 1x9yB1 ALA 326 HB3 0.02 -0.03 -0.29 -0.04 1.41 1.07 1x9yB1 GLN 327 H 0.28 0.53 0.30 -0.55 8.47 9.03 1x9yB1 GLN 327 HA 0.15 -0.01 0.83 -0.75 4.36 4.58 1x9yB1 GLN 327 HB2 -0.03 0.06 0.12 -0.04 2.15 2.26 1x9yB1 GLN 327 HB3 0.14 0.09 -0.01 -0.04 2.02 2.20 1x9yB1 GLN 327 HG2 0.31 -0.08 -0.09 -0.04 2.40 2.50 1x9yB1 GLN 327 HG3 0.07 -0.01 -0.09 -0.04 2.39 2.32 1x9yB1 GLN 327 HE21 -0.24 0.05 -0.32 -0.04 6.97 6.43 1x9yB1 GLN 327 HE22 -0.26 -0.04 -0.09 -0.04 7.69 7.25 1x9yB1 SER 328 H -0.53 0.14 0.16 -0.55 8.46 7.67 1x9yB1 SER 328 HA -0.77 0.08 0.43 -0.75 4.49 3.48 1x9yB1 SER 328 HB2 -0.50 0.05 0.13 -0.04 3.95 3.59 1x9yB1 SER 328 HB3 -0.19 0.03 0.16 -0.04 3.93 3.88 1x9yB1 VAL 329 H -0.12 0.44 0.39 -0.55 8.24 8.40 1x9yB1 VAL 329 HA -0.02 0.13 0.49 -0.75 4.13 3.98 1x9yB1 VAL 329 HB 0.00 -0.02 0.17 -0.04 2.12 2.24 1x9yB1 VAL 329 HG13 0.01 -0.00 -0.00 -0.04 0.97 0.94 1x9yB1 VAL 329 HG23 0.04 0.02 0.01 -0.04 0.95 0.98 1x9yB1 SER 330 H -0.05 -0.07 -0.17 -0.55 8.46 7.63 1x9yB1 SER 330 HA -0.00 0.11 0.46 -0.75 4.49 4.30 1x9yB1 SER 330 HB2 0.01 0.03 0.04 -0.04 3.95 3.98 1x9yB1 SER 330 HB3 0.00 -0.03 0.09 -0.04 3.93 3.96 1x9yB1 GLN 331 H -0.03 -0.03 -0.28 -0.55 8.47 7.58 1x9yB1 GLN 331 HA 0.01 -0.00 0.31 -0.75 4.36 3.92 1x9yB1 GLN 331 HB2 -0.01 0.20 -0.07 -0.04 2.15 2.23 1x9yB1 GLN 331 HB3 0.03 -0.05 0.11 -0.04 2.02 2.08 1x9yB1 GLN 331 HG2 0.04 -0.01 0.03 -0.04 2.40 2.42 1x9yB1 GLN 331 HG3 -0.02 -0.14 0.04 -0.04 2.39 2.23 1x9yB1 GLN 331 HE21 0.05 0.05 0.03 -0.04 6.97 7.06 1x9yB1 GLN 331 HE22 -0.02 0.16 0.04 -0.04 7.69 7.83 1x9yB1 ASN 332 H 0.00 0.04 0.12 -0.55 8.53 8.15 1x9yB1 ASN 332 HA -0.00 0.13 0.45 -0.75 4.76 4.58 1x9yB1 ASN 332 HB2 -0.01 0.01 0.16 -0.04 2.88 3.00 1x9yB1 ASN 332 HB3 -0.01 -0.00 0.19 -0.04 2.79 2.93 1x9yB1 ASN 332 HD21 -0.01 -0.01 -0.01 -0.04 7.03 6.97 1x9yB1 ASN 332 HD22 -0.00 0.07 0.06 -0.04 7.74 7.83 1x9yB1 PRO 333 HA -0.01 0.11 0.33 -0.51 4.44 4.35 1x9yB1 PRO 333 HB2 0.00 -0.06 0.06 -0.04 2.28 2.24 1x9yB1 PRO 333 HB3 0.01 -0.01 0.07 -0.04 2.02 2.05 1x9yB1 PRO 333 HG2 0.00 -0.03 0.10 -0.04 2.03 2.06 1x9yB1 PRO 333 HG3 0.00 0.24 0.13 -0.04 2.03 2.36 1x9yB1 PRO 333 HD2 -0.00 -0.04 0.22 -0.04 3.68 3.82 1x9yB1 PRO 333 HD3 -0.00 0.39 0.33 -0.04 3.65 4.33 1x9yB1 ASN 334 H -0.01 0.10 -0.17 -0.55 8.53 7.91 1x9yB1 ASN 334 HA -0.01 0.13 0.51 -0.75 4.76 4.64 1x9yB1 ASN 334 HB2 -0.01 -0.01 -0.00 -0.04 2.88 2.82 1x9yB1 ASN 334 HB3 -0.00 0.01 0.12 -0.04 2.79 2.88 1x9yB1 ASN 334 HD21 0.00 0.01 0.00 -0.04 7.03 7.01 1x9yB1 ASN 334 HD22 -0.00 0.00 0.01 -0.04 7.74 7.71 1x9yB1 ASP 335 H -0.03 0.40 -0.73 -0.55 8.40 7.49 1x9yB1 ASP 335 HA -0.04 0.16 0.75 -0.75 4.63 4.75 1x9yB1 ASP 335 HB2 -0.02 -0.00 -0.01 -0.04 2.71 2.63 1x9yB1 ASP 335 HB3 -0.02 -0.05 0.05 -0.04 2.70 2.64 1x9yB1 PRO 336 HA -0.40 0.11 0.37 -0.51 4.44 4.01 1x9yB1 PRO 336 HB2 -0.26 -0.04 0.13 -0.04 2.28 2.07 1x9yB1 PRO 336 HB3 -1.09 -0.02 -0.00 -0.04 2.02 0.87 1x9yB1 PRO 336 HG2 -0.09 0.01 -0.01 -0.04 2.03 1.90 1x9yB1 PRO 336 HG3 -0.22 0.12 -0.07 -0.04 2.03 1.82 1x9yB1 PRO 336 HD2 -0.08 0.06 0.06 -0.04 3.68 3.67 1x9yB1 PRO 336 HD3 -0.07 0.25 -0.83 -0.04 3.65 2.95 1x9yB1 HIS 337 H 0.01 0.49 0.30 -0.55 8.41 8.67 1x9yB1 HIS 337 HA 0.03 0.03 0.62 -0.75 4.63 4.55 1x9yB1 HIS 337 HB2 0.00 -0.00 0.03 -0.04 3.26 3.25 1x9yB1 HIS 337 HB3 -0.00 0.07 0.16 -0.04 3.20 3.38 1x9yB1 HIS 337 HD2 0.05 -0.05 -0.03 -0.04 6.97 6.89 1x9yB1 HIS 337 HE1 0.24 -0.03 0.01 -0.04 7.75 7.93 1x9yB1 LEU 338 H 0.20 0.11 0.13 -0.55 8.37 8.26 1x9yB1 LEU 338 HA 0.19 0.05 0.38 -0.75 4.35 4.21 1x9yB1 LEU 338 HB2 0.21 0.01 0.12 -0.04 1.64 1.94 1x9yB1 LEU 338 HB3 0.13 0.02 0.15 -0.04 1.64 1.91 1x9yB1 LEU 338 HG 0.03 -0.04 -0.29 -0.04 1.64 1.29 1x9yB1 LEU 338 HD13 0.10 0.03 0.03 -0.04 0.93 1.06 1x9yB1 LEU 338 HD23 0.01 0.01 -0.07 -0.04 0.89 0.81 1x9yB1 GLY 339 H 0.16 0.51 0.45 -0.55 8.43 9.00 1x9yB1 GLY 339 HA2 0.06 0.12 0.92 -0.51 4.01 4.59 1x9yB1 GLY 339 HA3 0.35 -0.11 0.48 -0.51 4.01 4.22 1x9yB1 HIS 340 H 0.14 0.54 0.37 -0.55 8.41 8.91 1x9yB1 HIS 340 HA -0.15 0.04 0.56 -0.75 4.63 4.33 1x9yB1 HIS 340 HB2 -0.34 0.07 -0.25 -0.04 3.26 2.71 1x9yB1 HIS 340 HB3 -0.34 -0.04 -0.14 -0.04 3.20 2.64 1x9yB1 HIS 340 HD2 -0.69 -0.03 -0.18 -0.04 6.97 6.03 1x9yB1 HIS 340 HE1 -1.25 -0.01 0.06 -0.04 7.75 6.50 1x9yB1 ALA 341 H -0.77 0.17 0.16 -0.55 8.40 7.41 1x9yB1 ALA 341 HA -0.37 0.40 1.06 -0.75 4.34 4.68 1x9yB1 ALA 341 HB3 -0.21 -0.03 -0.10 -0.04 1.41 1.04 1x9yB1 LEU 342 H -0.43 0.43 0.31 -0.55 8.37 8.13 1x9yB1 LEU 342 HA -0.46 0.23 1.02 -0.75 4.35 4.38 1x9yB1 LEU 342 HB2 -0.53 -0.05 -0.07 -0.04 1.64 0.95 1x9yB1 LEU 342 HB3 -0.28 0.14 0.09 -0.04 1.64 1.55 1x9yB1 LEU 342 HG -0.62 0.04 -0.11 -0.04 1.64 0.92 1x9yB1 LEU 342 HD13 -0.52 -0.07 -0.45 -0.04 0.93 -0.15 1x9yB1 LEU 342 HD23 -0.29 -0.00 -0.21 -0.04 0.89 0.34 1x9yB1 ALA 343 H -0.05 0.58 0.35 -0.55 8.40 8.74 1x9yB1 ALA 343 HA 0.00 0.19 1.17 -0.75 4.34 4.94 1x9yB1 ALA 343 HB3 0.38 0.02 0.10 -0.04 1.41 1.87 1x9yB1 VAL 344 H -0.02 0.63 0.40 -0.55 8.24 8.71 1x9yB1 VAL 344 HA 0.03 0.06 0.78 -0.75 4.13 4.24 1x9yB1 VAL 344 HB 0.03 0.03 0.24 -0.04 2.12 2.38 1x9yB1 VAL 344 HG13 0.06 0.01 0.03 -0.04 0.97 1.03 1x9yB1 VAL 344 HG23 0.10 -0.02 -0.05 -0.04 0.95 0.94 1x9yB1 VAL 345 H -0.06 0.72 0.49 -0.55 8.24 8.85 1x9yB1 VAL 345 HA -0.33 0.20 1.02 -0.75 4.13 4.27 1x9yB1 VAL 345 HB -0.23 -0.02 -0.17 -0.04 2.12 1.66 1x9yB1 VAL 345 HG13 -0.32 -0.00 -0.03 -0.04 0.97 0.58 1x9yB1 VAL 345 HG23 -0.99 0.00 -0.26 -0.04 0.95 -0.34 1x9yB1 GLY 346 H -0.04 0.32 0.40 -0.55 8.43 8.57 1x9yB1 GLY 346 HA2 -0.06 0.07 0.42 -0.51 4.01 3.93 1x9yB1 GLY 346 HA3 -0.08 0.21 0.79 -0.51 4.01 4.42 1x9yB1 ASN 347 H -0.09 0.71 0.41 -0.55 8.53 9.02 1x9yB1 ASN 347 HA 0.04 0.07 0.93 -0.75 4.76 5.05 1x9yB1 ASN 347 HB2 -0.06 0.03 0.22 -0.04 2.88 3.02 1x9yB1 ASN 347 HB3 -0.13 0.00 0.00 -0.04 2.79 2.63 1x9yB1 ASN 347 HD21 -0.03 -0.01 -0.09 -0.04 7.03 6.86 1x9yB1 ASN 347 HD22 -0.40 -0.02 -0.15 -0.04 7.74 7.13 1x9yB1 ALA 348 H 0.23 0.60 0.35 -0.55 8.40 9.03 1x9yB1 ALA 348 HA 0.03 0.13 0.56 -0.75 4.34 4.30 1x9yB1 ALA 348 HB3 -0.06 0.03 -0.08 -0.04 1.41 1.27 1x9yB1 LYS 349 H 0.12 0.64 0.23 -0.55 8.42 8.86 1x9yB1 LYS 349 HA 0.00 0.33 0.91 -0.75 4.32 4.81 1x9yB1 LYS 349 HB2 0.24 -0.03 -0.06 -0.04 1.87 1.98 1x9yB1 LYS 349 HB3 0.10 -0.03 0.11 -0.04 1.79 1.93 1x9yB1 LYS 349 HG2 -0.04 -0.06 -0.30 -0.04 1.46 1.01 1x9yB1 LYS 349 HG3 -0.11 -0.03 -0.24 -0.04 1.46 1.04 1x9yB1 LYS 349 HD2 -0.02 0.01 -0.10 -0.04 1.69 1.55 1x9yB1 LYS 349 HD3 -0.01 -0.02 -0.10 -0.04 1.68 1.51 1x9yB1 LYS 349 HE2 -0.06 0.01 -0.07 -0.04 2.99 2.83 1x9yB1 LYS 349 HE3 -0.08 0.08 -0.20 -0.04 2.99 2.75 1x9yB1 ILE 350 H -0.06 0.57 0.18 -0.55 8.25 8.38 1x9yB1 ILE 350 HA -0.05 0.23 0.95 -0.75 4.18 4.55 1x9yB1 ILE 350 HB -0.21 -0.00 -0.02 -0.04 1.89 1.62 1x9yB1 ILE 350 HG12 -0.14 0.14 -0.17 -0.04 1.49 1.27 1x9yB1 ILE 350 HG13 -0.18 -0.08 -0.38 -0.04 1.21 0.53 1x9yB1 ILE 350 HG23 -0.10 0.02 -0.20 -0.04 0.93 0.61 1x9yB1 ILE 350 HD13 -0.52 0.00 -0.21 -0.04 0.88 0.11 1x9yB1 ASN 351 H -0.02 0.23 0.15 -0.55 8.53 8.34 1x9yB1 ASN 351 HA -0.01 0.05 0.34 -0.75 4.76 4.40 1x9yB1 ASN 351 HB2 0.03 0.07 -0.15 -0.04 2.88 2.78 1x9yB1 ASN 351 HB3 0.01 0.04 0.21 -0.04 2.79 3.00 1x9yB1 ASN 351 HD21 -0.00 -0.07 0.17 -0.04 7.03 7.09 1x9yB1 ASN 351 HD22 0.06 -0.01 -0.01 -0.04 7.74 7.74 1x9yB1 ASP 352 H -0.01 0.06 -0.44 -0.55 8.40 7.46 1x9yB1 ASP 352 HA -0.03 -0.02 0.15 -0.75 4.63 3.98 1x9yB1 ASP 352 HB2 -0.01 -0.06 -0.19 -0.04 2.71 2.40 1x9yB1 ASP 352 HB3 -0.02 0.21 0.09 -0.04 2.70 2.94 1x9yB1 GLN 353 H -0.03 0.49 -0.27 -0.55 8.47 8.12 1x9yB1 GLN 353 HA -0.07 0.14 0.96 -0.75 4.36 4.62 1x9yB1 GLN 353 HB2 0.01 0.11 0.05 -0.04 2.15 2.27 1x9yB1 GLN 353 HB3 -0.01 -0.06 0.05 -0.04 2.02 1.96 1x9yB1 GLN 353 HG2 -0.02 -0.01 0.02 -0.04 2.40 2.35 1x9yB1 GLN 353 HG3 -0.01 0.17 -0.26 -0.04 2.39 2.25 1x9yB1 GLN 353 HE21 0.02 -0.02 0.02 -0.04 6.97 6.94 1x9yB1 GLN 353 HE22 -0.00 -0.02 0.04 -0.04 7.69 7.66 1x9yB1 GLU 354 H -0.16 0.11 0.19 -0.55 8.60 8.19 1x9yB1 GLU 354 HA -0.32 0.23 0.74 -0.75 4.29 4.19 1x9yB1 GLU 354 HB2 -0.24 -0.09 0.18 -0.04 2.09 1.90 1x9yB1 GLU 354 HB3 -0.89 0.04 0.12 -0.04 1.99 1.22 1x9yB1 GLU 354 HG2 -0.82 0.07 -0.01 -0.04 2.34 1.54 1x9yB1 GLU 354 HG3 -0.32 0.00 0.11 -0.04 2.34 2.10 1x9yB1 LYS 355 H 0.12 0.71 0.53 -0.55 8.42 9.22 1x9yB1 LYS 355 HA 0.09 0.06 1.02 -0.75 4.32 4.73 1x9yB1 LYS 355 HB2 -0.02 -0.05 -0.09 -0.04 1.87 1.67 1x9yB1 LYS 355 HB3 -0.02 0.04 -0.01 -0.04 1.79 1.75 1x9yB1 LYS 355 HG2 -0.07 0.11 -0.29 -0.04 1.46 1.17 1x9yB1 LYS 355 HG3 -0.27 -0.03 -0.20 -0.04 1.46 0.92 1x9yB1 LYS 355 HD2 0.06 -0.03 -0.34 -0.04 1.69 1.34 1x9yB1 LYS 355 HD3 0.04 0.15 -0.29 -0.04 1.68 1.53 1x9yB1 LYS 355 HE2 0.00 0.07 -0.18 -0.04 2.99 2.85 1x9yB1 LYS 355 HE3 -0.06 -0.01 -0.15 -0.04 2.99 2.72 1x9yB1 LEU 356 H 0.16 0.62 0.30 -0.55 8.37 8.91 1x9yB1 LEU 356 HA 0.14 0.20 1.15 -0.75 4.35 5.07 1x9yB1 LEU 356 HB2 0.29 -0.00 0.07 -0.04 1.64 1.96 1x9yB1 LEU 356 HB3 0.25 0.05 0.06 -0.04 1.64 1.97 1x9yB1 LEU 356 HG 0.19 -0.12 -0.06 -0.04 1.64 1.61 1x9yB1 LEU 356 HD13 0.31 0.03 -0.01 -0.04 0.93 1.21 1x9yB1 LEU 356 HD23 0.13 0.03 0.04 -0.04 0.89 1.04 1x9yB1 ILE 357 H 0.06 0.64 0.19 -0.55 8.25 8.59 1x9yB1 ILE 357 HA -0.03 0.31 1.03 -0.75 4.18 4.74 1x9yB1 ILE 357 HB -0.05 -0.10 -0.09 -0.04 1.89 1.61 1x9yB1 ILE 357 HG12 -0.07 0.04 -0.20 -0.04 1.49 1.21 1x9yB1 ILE 357 HG13 -0.03 -0.12 -0.44 -0.04 1.21 0.58 1x9yB1 ILE 357 HG23 -0.10 0.02 -0.13 -0.04 0.93 0.68 1x9yB1 ILE 357 HD13 -0.08 0.02 -0.23 -0.04 0.88 0.55 1x9yB1 TYR 358 H -0.26 0.68 0.39 -0.55 8.29 8.55 1x9yB1 TYR 358 HA -0.09 0.09 0.90 -0.75 4.56 4.72 1x9yB1 TYR 358 HB2 -0.12 0.07 0.02 -0.04 3.06 2.99 1x9yB1 TYR 358 HB3 -0.06 0.01 -0.25 -0.04 2.98 2.63 1x9yB1 TYR 358 HD2 -0.05 0.01 -0.44 -0.04 7.15 6.63 1x9yB1 TYR 358 HE2 -0.01 -0.02 -0.22 -0.04 6.85 6.56 1x9yB1 TRP 359 H 0.24 0.79 0.33 -0.55 7.97 8.78 1x9yB1 TRP 359 HA -0.03 0.18 1.09 -0.75 4.62 5.11 1x9yB1 TRP 359 HB2 0.02 0.03 -0.15 -0.04 3.23 3.09 1x9yB1 TRP 359 HB3 0.11 -0.02 0.10 -0.04 3.23 3.37 1x9yB1 TRP 359 HD1 0.08 0.10 -0.16 -0.04 7.22 7.20 1x9yB1 TRP 359 HE1 0.10 0.45 -0.11 -0.04 10.20 10.60 1x9yB1 TRP 359 HE3 0.29 -0.05 -0.06 -0.04 7.59 7.74 1x9yB1 TRP 359 HZ2 0.09 0.27 0.19 -0.04 7.44 7.95 1x9yB1 TRP 359 HZ3 0.17 0.15 -0.18 -0.04 7.13 7.22 1x9yB1 TRP 359 HH2 0.30 -0.05 0.03 -0.04 7.19 7.44 1x9yB1 ASN 360 H -0.10 0.22 0.10 -0.55 8.53 8.20 1x9yB1 ASN 360 HA -0.53 0.21 1.01 -0.75 4.76 4.69 1x9yB1 ASN 360 HB2 -0.00 0.04 0.03 -0.04 2.88 2.91 1x9yB1 ASN 360 HB3 -0.07 -0.01 0.15 -0.04 2.79 2.81 1x9yB1 ASN 360 HD21 -0.49 0.01 -0.08 -0.04 7.03 6.42 1x9yB1 ASN 360 HD22 -0.03 0.02 -0.09 -0.04 7.74 7.60 1x9yB1 PRO 361 HA -1.90 0.17 0.42 -0.51 4.44 2.62 1x9yB1 PRO 361 HB2 -0.65 -0.00 0.07 -0.04 2.28 1.66 1x9yB1 PRO 361 HB3 -0.60 -0.04 0.11 -0.04 2.02 1.45 1x9yB1 PRO 361 HG2 -0.55 0.12 0.22 -0.04 2.03 1.78 1x9yB1 PRO 361 HG3 -0.82 0.03 0.06 -0.04 2.03 1.26 1x9yB1 PRO 361 HD2 -0.92 0.07 0.27 -0.04 3.68 3.06 1x9yB1 PRO 361 HD3 -0.78 0.19 0.45 -0.04 3.65 3.46 1x9yB1 TRP 362 H -0.39 -0.03 -0.51 -0.55 7.97 6.49 1x9yB1 TRP 362 HA -0.12 0.30 0.64 -0.75 4.62 4.69 1x9yB1 TRP 362 HB2 -0.04 -0.09 -0.00 -0.04 3.23 3.05 1x9yB1 TRP 362 HB3 -0.02 0.12 0.19 -0.04 3.23 3.48 1x9yB1 TRP 362 HD1 -0.15 0.18 -0.03 -0.04 7.22 7.18 1x9yB1 TRP 362 HE1 -0.13 0.22 0.02 -0.04 10.20 10.27 1x9yB1 TRP 362 HE3 -0.05 -0.00 -0.05 -0.04 7.59 7.45 1x9yB1 TRP 362 HZ2 -0.53 0.14 -0.18 -0.04 7.44 6.84 1x9yB1 TRP 362 HZ3 -0.21 -0.05 -0.08 -0.04 7.13 6.75 1x9yB1 TRP 362 HH2 -0.62 -0.04 -0.10 -0.04 7.19 6.40 1x9yB1 ASP 363 H -0.01 0.71 -0.07 -0.55 8.40 8.48 1x9yB1 ASP 363 HA 0.23 0.18 1.00 -0.75 4.63 5.29 1x9yB1 ASP 363 HB2 0.25 0.17 0.15 -0.04 2.71 3.24 1x9yB1 ASP 363 HB3 0.23 -0.20 0.19 -0.04 2.70 2.87 1x9yB1 THR 364 H 0.22 0.07 0.18 -0.55 8.28 8.19 1x9yB1 THR 364 HA 0.27 0.22 0.73 -0.75 4.39 4.85 1x9yB1 THR 364 HB 0.12 0.06 0.12 -0.04 4.32 4.58 1x9yB1 THR 364 HG23 0.14 0.01 -0.08 -0.04 1.22 1.25 1x9yB1 GLU 365 H 0.27 0.03 0.02 -0.55 8.60 8.37 1x9yB1 GLU 365 HA 0.13 0.24 0.70 -0.75 4.29 4.60 1x9yB1 GLU 365 HB2 0.17 -0.16 0.03 -0.04 2.09 2.09 1x9yB1 GLU 365 HB3 0.13 0.02 0.14 -0.04 1.99 2.24 1x9yB1 GLU 365 HG2 0.12 0.20 0.02 -0.04 2.34 2.64 1x9yB1 GLU 365 HG3 0.14 -0.14 -0.40 -0.04 2.34 1.89 1x9yB1 LEU 366 H 0.08 0.15 0.11 -0.55 8.37 8.16 1x9yB1 LEU 366 HA 0.16 0.13 0.65 -0.75 4.35 4.54 1x9yB1 LEU 366 HB2 -0.03 -0.01 0.01 -0.04 1.64 1.57 1x9yB1 LEU 366 HB3 -0.06 0.03 0.13 -0.04 1.64 1.69 1x9yB1 LEU 366 HG 0.04 -0.03 -0.06 -0.04 1.64 1.55 1x9yB1 LEU 366 HD13 -0.04 0.01 -0.12 -0.04 0.93 0.75 1x9yB1 LEU 366 HD23 0.05 -0.01 -0.23 -0.04 0.89 0.66 1x9yB1 SER 367 H -0.25 0.60 0.45 -0.55 8.46 8.71 1x9yB1 SER 367 HA -0.16 0.33 1.04 -0.75 4.49 4.95 1x9yB1 SER 367 HB2 -1.32 -0.06 0.01 -0.04 3.95 2.54 1x9yB1 SER 367 HB3 -0.40 0.02 0.04 -0.04 3.93 3.56 1x9yB1 ILE 368 H -0.08 0.48 0.39 -0.55 8.25 8.50 1x9yB1 ILE 368 HA -0.05 0.33 1.03 -0.75 4.18 4.73 1x9yB1 ILE 368 HB -0.05 -0.06 0.07 -0.04 1.89 1.80 1x9yB1 ILE 368 HG12 -0.11 0.07 -0.24 -0.04 1.49 1.16 1x9yB1 ILE 368 HG13 -0.12 -0.05 -0.35 -0.04 1.21 0.65 1x9yB1 ILE 368 HG23 -0.20 0.01 -0.15 -0.04 0.93 0.54 1x9yB1 ILE 368 HD13 -0.15 0.03 -0.24 -0.04 0.88 0.48 1x9yB1 GLN 369 H 0.15 0.50 0.33 -0.55 8.47 8.90 1x9yB1 GLN 369 HA 0.31 0.36 0.91 -0.75 4.36 5.17 1x9yB1 GLN 369 HB2 0.30 -0.02 -0.29 -0.04 2.15 2.11 1x9yB1 GLN 369 HB3 0.39 0.02 -0.07 -0.04 2.02 2.31 1x9yB1 GLN 369 HG2 0.20 0.10 -0.04 -0.04 2.40 2.62 1x9yB1 GLN 369 HG3 0.18 -0.02 -0.05 -0.04 2.39 2.47 1x9yB1 GLN 369 HE21 0.14 0.25 -0.02 -0.04 6.97 7.29 1x9yB1 GLN 369 HE22 0.16 -0.05 -0.06 -0.04 7.69 7.70 1x9yB1 ASP 370 H 0.20 0.18 0.23 -0.55 8.40 8.46 1x9yB1 ASP 370 HA 0.12 0.14 0.52 -0.75 4.63 4.66 1x9yB1 ASP 370 HB2 0.11 -0.02 0.15 -0.04 2.71 2.91 1x9yB1 ASP 370 HB3 0.08 -0.05 0.06 -0.04 2.70 2.74 1x9yB1 ALA 371 H 0.07 0.71 0.40 -0.55 8.40 9.03 1x9yB1 ALA 371 HA 0.14 0.12 0.44 -0.75 4.34 4.28 1x9yB1 ALA 371 HB3 0.12 -0.03 -0.14 -0.04 1.41 1.32 1x9yB1 ASP 372 H 0.04 0.05 -0.21 -0.55 8.40 7.73 1x9yB1 ASP 372 HA -0.02 0.27 0.81 -0.75 4.63 4.93 1x9yB1 ASP 372 HB2 -0.01 0.01 0.16 -0.04 2.71 2.83 1x9yB1 ASP 372 HB3 -0.01 -0.04 0.03 -0.04 2.70 2.64 1x9yB1 SER 373 H 0.07 0.37 -0.51 -0.55 8.46 7.85 1x9yB1 SER 373 HA 0.05 0.13 0.93 -0.75 4.49 4.84 1x9yB1 SER 373 HB2 0.09 0.12 0.18 -0.04 3.95 4.30 1x9yB1 SER 373 HB3 0.08 -0.14 0.05 -0.04 3.93 3.88 1x9yB1 SER 374 H 0.06 0.28 0.23 -0.55 8.46 8.48 1x9yB1 SER 374 HA 0.16 0.31 0.98 -0.75 4.49 5.18 1x9yB1 SER 374 HB2 0.09 0.01 0.21 -0.04 3.95 4.22 1x9yB1 SER 374 HB3 0.00 0.06 -0.04 -0.04 3.93 3.91 1x9yB1 LEU 375 H 0.12 0.25 -0.07 -0.55 8.37 8.13 1x9yB1 LEU 375 HA 0.15 0.27 0.97 -0.75 4.35 4.98 1x9yB1 LEU 375 HB2 0.09 0.11 -0.18 -0.04 1.64 1.62 1x9yB1 LEU 375 HB3 0.12 0.04 -0.26 -0.04 1.64 1.50 1x9yB1 LEU 375 HG 0.11 -0.03 -0.31 -0.04 1.64 1.36 1x9yB1 LEU 375 HD13 0.09 -0.01 -0.29 -0.04 0.93 0.68 1x9yB1 LEU 375 HD23 0.05 -0.04 -0.56 -0.04 0.89 0.29 1x9yB1 LEU 376 H 0.16 0.80 0.18 -0.55 8.37 8.96 1x9yB1 LEU 376 HA 0.11 0.16 0.77 -0.75 4.35 4.64 1x9yB1 LEU 376 HB2 0.05 -0.02 0.01 -0.04 1.64 1.64 1x9yB1 LEU 376 HB3 0.00 -0.01 -0.17 -0.04 1.64 1.43 1x9yB1 LEU 376 HG -0.04 0.01 -0.41 -0.04 1.64 1.16 1x9yB1 LEU 376 HD13 -0.38 -0.01 -0.25 -0.04 0.93 0.25 1x9yB1 LEU 376 HD23 -0.21 0.02 -0.15 -0.04 0.89 0.51 1x9yB1 HIS 377 H 0.21 0.20 -0.04 -0.55 8.41 8.23 1x9yB1 HIS 377 HA 0.13 0.17 0.72 -0.75 4.63 4.89 1x9yB1 HIS 377 HB2 0.06 0.00 -0.09 -0.04 3.26 3.20 1x9yB1 HIS 377 HB3 0.05 -0.03 0.01 -0.04 3.20 3.20 1x9yB1 HIS 377 HD2 0.14 -0.04 -0.25 -0.04 6.97 6.78 1x9yB1 HIS 377 HE1 0.04 -0.05 -0.21 -0.04 7.75 7.50 1x9yB1 LEU 378 H -0.13 0.53 0.16 -0.55 8.37 8.39 1x9yB1 LEU 378 HA 0.13 0.19 0.78 -0.75 4.35 4.70 1x9yB1 LEU 378 HB2 0.02 0.07 -0.02 -0.04 1.64 1.67 1x9yB1 LEU 378 HB3 0.17 -0.11 0.08 -0.04 1.64 1.73 1x9yB1 LEU 378 HG -0.01 0.10 -0.32 -0.04 1.64 1.36 1x9yB1 LEU 378 HD13 -0.48 -0.01 -0.17 -0.04 0.93 0.23 1x9yB1 LEU 378 HD23 0.14 0.05 -0.45 -0.04 0.89 0.60 1x9yB1 SER 379 H -0.02 0.12 0.03 -0.55 8.46 8.04 1x9yB1 SER 379 HA -0.29 0.09 0.40 -0.75 4.49 3.94 1x9yB1 SER 379 HB2 -0.49 0.11 0.10 -0.04 3.95 3.63 1x9yB1 SER 379 HB3 -0.69 -0.01 -0.01 -0.04 3.93 3.19 1x9yB1 PHE 380 H -0.13 0.17 -0.01 -0.55 8.34 7.83 1x9yB1 PHE 380 HA -0.04 0.03 0.06 -0.75 4.62 3.91 1x9yB1 PHE 380 HB2 -0.06 0.03 -0.56 -0.04 3.15 2.51 1x9yB1 PHE 380 HB3 -0.01 0.14 -0.09 -0.04 3.06 3.05 1x9yB1 PHE 380 HD2 0.03 0.03 -0.06 -0.04 7.28 7.23 1x9yB1 PHE 380 HE2 0.04 0.00 0.05 -0.04 7.38 7.43 1x9yB1 PHE 380 HZ 0.03 0.03 0.03 -0.04 7.32 7.36 1x9yB1 ASN 381 H 0.00 0.07 -0.47 -0.55 8.53 7.59 1x9yB1 ASN 381 HA 0.06 0.03 0.15 -0.75 4.76 4.25 1x9yB1 ASN 381 HB2 -0.04 -0.08 -0.24 -0.04 2.88 2.49 1x9yB1 ASN 381 HB3 -0.15 0.17 -0.08 -0.04 2.79 2.69 1x9yB1 ASN 381 HD21 -0.00 0.05 0.03 -0.04 7.03 7.07 1x9yB1 ASN 381 HD22 -0.06 0.00 -0.04 -0.04 7.74 7.60 1x9yB1 ARG 382 H -0.04 0.41 -0.48 -0.55 8.46 7.80 1x9yB1 ARG 382 HA 0.06 0.15 0.77 -0.75 4.34 4.56 1x9yB1 ARG 382 HB2 0.22 0.10 -0.08 -0.04 1.90 2.11 1x9yB1 ARG 382 HB3 0.28 -0.11 -0.11 -0.04 1.80 1.81 1x9yB1 ARG 382 HG2 0.16 -0.05 -0.05 -0.04 1.67 1.69 1x9yB1 ARG 382 HG3 0.24 0.19 -0.24 -0.04 1.67 1.82 1x9yB1 ARG 382 HD2 0.30 -0.09 -0.06 -0.04 3.22 3.33 1x9yB1 ARG 382 HD3 0.33 -0.02 -0.06 -0.04 3.22 3.43 1x9yB1 ASP 383 H 0.09 0.17 0.12 -0.55 8.40 8.23 1x9yB1 ASP 383 HA 0.19 0.25 0.82 -0.75 4.63 5.13 1x9yB1 ASP 383 HB2 0.09 -0.04 0.07 -0.04 2.71 2.79 1x9yB1 ASP 383 HB3 0.13 0.01 -0.17 -0.04 2.70 2.64 1x9yB1 TYR 384 H 0.33 0.75 0.16 -0.55 8.29 8.98 1x9yB1 TYR 384 HA 0.08 0.16 0.62 -0.75 4.56 4.66 1x9yB1 TYR 384 HB2 0.05 0.08 -0.01 -0.04 3.06 3.13 1x9yB1 TYR 384 HB3 0.05 -0.03 -0.29 -0.04 2.98 2.68 1x9yB1 TYR 384 HD2 0.06 0.01 -0.50 -0.04 7.15 6.67 1x9yB1 TYR 384 HE2 0.06 0.01 -0.13 -0.04 6.85 6.75 1x9yB1 ASN 385 H 0.11 0.72 0.29 -0.55 8.53 9.09 1x9yB1 ASN 385 HA 0.17 0.29 0.85 -0.75 4.76 5.32 1x9yB1 ASN 385 HB2 0.10 -0.04 0.06 -0.04 2.88 2.96 1x9yB1 ASN 385 HB3 0.15 0.03 0.14 -0.04 2.79 3.07 1x9yB1 ASN 385 HD21 0.11 -0.05 0.01 -0.04 7.03 7.05 1x9yB1 ASN 385 HD22 0.14 0.23 0.12 -0.04 7.74 8.19 1x9yB1 TRP 386 H 0.31 0.69 0.24 -0.55 7.97 8.66 1x9yB1 TRP 386 HA -0.04 0.14 0.80 -0.75 4.62 4.76 1x9yB1 TRP 386 HB2 -0.05 -0.03 -0.02 -0.04 3.23 3.09 1x9yB1 TRP 386 HB3 -0.02 -0.01 0.21 -0.04 3.23 3.37 1x9yB1 TRP 386 HD1 -0.16 -0.04 -0.16 -0.04 7.22 6.82 1x9yB1 TRP 386 HE1 -0.12 0.12 -0.09 -0.04 10.20 10.06 1x9yB1 TRP 386 HE3 -0.10 0.05 -0.07 -0.04 7.59 7.44 1x9yB1 TRP 386 HZ2 -0.08 -0.01 -0.10 -0.04 7.44 7.20 1x9yB1 TRP 386 HZ3 -0.09 0.02 -0.06 -0.04 7.13 6.95 1x9yB1 TRP 386 HH2 -0.07 -0.01 -0.06 -0.04 7.19 7.01 1x9yB1 TYR 387 H 0.21 0.34 0.26 -0.55 8.29 8.54 1x9yB1 TYR 387 HA 0.13 0.09 0.65 -0.75 4.56 4.68 1x9yB1 TYR 387 HB2 0.14 -0.02 0.08 -0.04 3.06 3.22 1x9yB1 TYR 387 HB3 0.13 0.00 0.01 -0.04 2.98 3.08 1x9yB1 TYR 387 HD2 0.20 -0.01 -0.19 -0.04 7.15 7.11 1x9yB1 TYR 387 HE2 0.10 -0.05 -0.30 -0.04 6.85 6.56 1x9yB1 GLY 388 H -0.01 0.37 0.14 -0.55 8.43 8.38 1x9yB1 GLY 388 HA2 0.01 0.32 0.54 -0.51 4.01 4.36 1x9yB1 GLY 388 HA3 0.19 -0.06 0.40 -0.51 4.01 4.02 1x9yB1 SER 389 H -0.10 0.47 0.36 -0.55 8.46 8.64 1x9yB1 SER 389 HA 0.12 0.13 0.93 -0.75 4.49 4.92 1x9yB1 SER 389 HB2 0.08 -0.05 -0.07 -0.04 3.95 3.87 1x9yB1 SER 389 HB3 0.17 0.05 0.03 -0.04 3.93 4.14 1x9yB1 MET 390 H 0.07 0.58 0.29 -0.55 8.47 8.86 1x9yB1 MET 390 HA 0.14 0.28 1.00 -0.75 4.52 5.19 1x9yB1 MET 390 HB2 0.05 -0.06 0.16 -0.04 2.15 2.26 1x9yB1 MET 390 HB3 0.09 0.03 -0.08 -0.04 2.03 2.03 1x9yB1 MET 390 HG2 0.12 -0.03 -0.20 -0.04 2.63 2.49 1x9yB1 MET 390 HG3 0.07 -0.05 -0.10 -0.04 2.56 2.44 1x9yB1 MET 390 HE3 0.42 -0.03 -0.16 -0.04 2.10 2.29 1x9yB1 ILE 391 H 0.11 0.70 0.26 -0.55 8.25 8.77 1x9yB1 ILE 391 HA -0.06 0.30 1.08 -0.75 4.18 4.74 1x9yB1 ILE 391 HB 0.07 -0.02 0.13 -0.04 1.89 2.03 1x9yB1 ILE 391 HG12 -0.02 0.02 -0.16 -0.04 1.49 1.29 1x9yB1 ILE 391 HG13 0.03 -0.05 -0.26 -0.04 1.21 0.88 1x9yB1 ILE 391 HG23 -0.54 0.02 -0.19 -0.04 0.93 0.17 1x9yB1 ILE 391 HD13 0.02 -0.00 -0.11 -0.04 0.88 0.75 1x9yB1 GLY 392 H -0.09 0.57 0.14 -0.55 8.43 8.51 1x9yB1 GLY 392 HA2 0.05 0.06 0.45 -0.51 4.01 4.05 1x9yB1 GLY 392 HA3 -0.02 -0.02 0.26 -0.51 4.01 3.72 1x9yB1 TYR 393 H 0.18 0.44 0.16 -0.55 8.29 8.53 1x9yB1 TYR 393 HA -0.02 0.04 0.46 -0.75 4.56 4.28 1x9yB1 TYR 393 HB2 -0.09 0.13 0.16 -0.04 3.06 3.21 1x9yB1 TYR 393 HB3 -0.07 -0.05 0.14 -0.04 2.98 2.97 1x9yB1 TYR 393 HD2 -0.12 0.11 0.06 -0.04 7.15 7.17 1x9yB1 TYR 393 HE2 -0.07 -0.03 -0.03 -0.04 6.85 6.67 1x9yB1 LEU 394 H 0.12 0.05 0.15 -0.55 8.37 8.14 1x9yB1 LEU 394 HA 0.04 0.21 0.53 -0.75 4.35 4.38 1x9yB1 LEU 394 HB2 0.05 -0.09 0.10 -0.04 1.64 1.66 1x9yB1 LEU 394 HB3 0.03 0.09 0.09 -0.04 1.64 1.81 1x9yB1 LEU 394 HG 0.03 0.01 0.10 -0.04 1.64 1.73 1x9yB1 LEU 394 HD13 0.02 -0.00 0.07 -0.04 0.93 0.97 1x9yB1 LEU 394 HD23 0.02 0.04 0.08 -0.04 0.89 0.98 1x9yB1 GLU 395 H 0.03 0.27 0.13 -0.55 8.60 8.48 1x9yB1 GLU 395 HA 0.05 0.06 0.63 -0.75 4.29 4.28 1x9yB1 GLU 395 HB2 0.02 0.04 -0.10 -0.04 2.09 2.01 1x9yB1 GLU 395 HB3 0.02 -0.04 -0.39 -0.04 1.99 1.55 1x9yB1 GLU 395 HG2 0.01 0.20 0.05 -0.04 2.34 2.57 1x9yB1 GLU 395 HG3 0.01 -0.06 -0.15 -0.04 2.34 2.11 1x9yB1 VAL 396 H 0.03 0.09 0.10 -0.55 8.24 7.91 1x9yB1 VAL 396 HA 0.01 0.11 0.50 -0.75 4.13 4.00 1x9yB1 VAL 396 HB 0.02 -0.05 0.13 -0.04 2.12 2.18 1x9yB1 VAL 396 HG13 0.01 0.01 -0.13 -0.04 0.97 0.81 1x9yB1 VAL 396 HG23 0.00 0.00 0.01 -0.04 0.95 0.92 1x9yB1 PRO 397 HA 0.01 0.11 0.15 -0.51 4.44 4.20 1x9yB1 PRO 397 HB2 0.00 -0.02 0.05 -0.04 2.28 2.27 1x9yB1 PRO 397 HB3 0.00 0.02 0.06 -0.04 2.02 2.07 1x9yB1 PRO 397 HG2 0.00 -0.00 0.07 -0.04 2.03 2.06 1x9yB1 PRO 397 HG3 0.01 0.08 0.05 -0.04 2.03 2.13 1x9yB1 PRO 397 HD2 0.00 0.02 0.19 -0.04 3.68 3.86 1x9yB1 PRO 397 HD3 0.01 0.41 0.25 -0.04 3.65 4.28