============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. HIS 8 0.900 -14.207 -25.306 37.054 -99.200 -91.000 PHE 9 1.000 -12.500 -20.858 37.101 -99.200 -91.000 TYR 12 0.840 -18.648 -22.068 38.416 -99.200 -91.000 PHE 25 1.000 -16.800 -3.118 44.913 -99.200 -91.000 PHE 33 1.000 -7.883 -11.896 46.530 -99.200 -91.000 PHE 35 1.000 -18.538 -10.584 42.521 -99.200 -91.000 TRP 70 1.040 -3.469 -9.749 24.087 -99.200 -91.000 TRP6 70 1.020 -4.298 -8.078 22.638 -99.200 -91.000 TYR 71 0.840 -11.054 -10.996 26.297 -99.200 -91.000 PHE 81 1.000 -3.460 -12.752 42.292 -99.200 -91.000 HIS 82 0.900 -9.600 -18.917 41.419 -99.200 -91.000 PHE 95 1.000 -7.689 -9.420 42.413 -99.200 -91.000 HIS 106 0.900 -8.221 -8.131 29.127 -99.200 -91.000 HIS 107 0.900 -5.670 1.429 26.273 -99.200 -91.000 TYR 120 0.840 -15.434 -13.088 8.681 -99.200 -91.000 TYR 133 0.840 -26.474 -13.875 20.037 -99.200 -91.000 PHE 134 1.000 -17.929 -12.660 19.223 -99.200 -91.000 PHE 138 1.000 -14.686 -9.289 22.257 -99.200 -91.000 TYR 139 0.840 -16.966 -4.629 20.328 -99.200 -91.000 HIS 152 0.900 -9.989 -4.938 44.100 -99.200 -91.000 PHE 156 1.000 -10.856 -1.992 47.754 -99.200 -91.000 HIS 166 0.900 -16.322 10.674 39.202 -99.200 -91.000 PHE 184 1.000 -23.813 20.932 21.176 -99.200 -91.000 TYR 194 0.840 -13.614 15.184 10.089 -99.200 -91.000 TYR 195 0.840 -19.139 18.473 8.315 -99.200 -91.000 PHE 210 1.000 -35.716 14.134 44.064 -99.200 -91.000 HIS 216 0.900 -26.620 16.607 40.797 -99.200 -91.000 TYR 219 0.840 -25.181 5.937 33.772 -99.200 -91.000 HIS 223 0.900 -19.534 3.046 31.370 -99.200 -91.000 HIS 225 0.900 -17.626 12.980 27.157 -99.200 -91.000 HIS 226 0.900 -18.370 5.615 23.646 -99.200 -91.000 PHE 229 1.000 -17.116 12.722 20.938 -99.200 -91.000 PHE 232 1.000 -24.928 16.228 22.258 -99.200 -91.000 HIS 242 0.900 -31.683 18.154 5.458 -99.200 -91.000 PHE 283 1.000 -29.473 1.829 17.004 -99.200 -91.000 TYR 285 0.840 -21.372 -3.822 17.030 -99.200 -91.000 TYR 287 0.840 -25.809 1.334 7.285 -99.200 -91.000 PHE 298 1.000 -12.655 3.268 11.675 -99.200 -91.000 TYR 300 0.840 -17.075 -1.189 15.723 -99.200 -91.000 TYR 308 0.840 -19.956 2.459 26.813 -99.200 -91.000 TYR 311 0.840 -22.343 -2.589 32.344 -99.200 -91.000 PHE 312 1.000 -24.255 -0.209 35.462 -99.200 -91.000 TYR 319 0.840 -38.411 5.891 18.613 -99.200 -91.000 TYR 324 0.840 -38.319 18.836 10.805 -99.200 -91.000 TYR 331 0.840 -36.134 5.870 26.649 -99.200 -91.000 PHE 346 1.000 -21.168 -21.061 24.653 -99.200 -91.000 PHE 351 1.000 -24.052 -24.736 20.002 -99.200 -91.000 HIS 353 0.900 -30.201 -15.717 19.589 -99.200 -91.000 TYR 354 0.840 -23.129 -17.387 18.539 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2zdyA1 PRO 19 HA -0.02 0.01 0.12 -0.51 4.44 4.03 2zdyA1 PRO 19 HB2 -0.00 -0.12 0.07 -0.04 2.28 2.19 2zdyA1 PRO 19 HB3 -0.01 0.02 0.07 -0.04 2.02 2.06 2zdyA1 PRO 19 HG2 -0.01 -0.03 -0.01 -0.04 2.03 1.94 2zdyA1 PRO 19 HG3 -0.01 0.01 0.01 -0.04 2.03 2.00 2zdyA1 PRO 19 HD2 -0.01 -0.04 -0.05 -0.04 3.68 3.54 2zdyA1 PRO 19 HD3 -0.01 -0.00 -0.00 -0.04 3.65 3.59 2zdyA1 VAL 20 H -0.00 0.15 0.03 -0.55 8.24 7.87 2zdyA1 VAL 20 HA 0.00 0.26 0.88 -0.75 4.13 4.51 2zdyA1 VAL 20 HB 0.00 -0.05 0.07 -0.04 2.12 2.10 2zdyA1 VAL 20 HG13 0.01 0.02 -0.16 -0.04 0.97 0.80 2zdyA1 VAL 20 HG23 -0.02 0.01 -0.21 -0.04 0.95 0.69 2zdyA1 PRO 21 HA 0.02 0.10 0.45 -0.51 4.44 4.50 2zdyA1 PRO 21 HB2 0.05 -0.12 0.03 -0.04 2.28 2.19 2zdyA1 PRO 21 HB3 0.03 0.10 0.09 -0.04 2.02 2.20 2zdyA1 PRO 21 HG2 0.05 -0.05 0.07 -0.04 2.03 2.06 2zdyA1 PRO 21 HG3 0.04 0.12 0.05 -0.04 2.03 2.19 2zdyA1 PRO 21 HD2 0.02 0.17 0.20 -0.04 3.68 4.03 2zdyA1 PRO 21 HD3 0.01 0.24 0.00 -0.04 3.65 3.86 2zdyA1 ARG 22 H 0.03 0.17 0.18 -0.55 8.46 8.29 2zdyA1 ARG 22 HA 0.04 0.14 0.29 -0.75 4.34 4.05 2zdyA1 ARG 22 HB2 0.03 -0.03 0.14 -0.04 1.90 2.00 2zdyA1 ARG 22 HB3 0.02 0.05 0.01 -0.04 1.80 1.83 2zdyA1 ARG 22 HG2 0.01 0.05 0.06 -0.04 1.67 1.75 2zdyA1 ARG 22 HG3 0.01 -0.01 0.10 -0.04 1.67 1.74 2zdyA1 ARG 22 HD2 -0.01 0.02 0.01 -0.04 3.22 3.20 2zdyA1 ARG 22 HD3 -0.00 0.02 0.02 -0.04 3.22 3.22 2zdyA1 GLU 23 H 0.08 0.07 -0.21 -0.55 8.60 8.00 2zdyA1 GLU 23 HA 0.21 0.10 0.34 -0.75 4.29 4.19 2zdyA1 GLU 23 HB2 0.25 0.08 -0.06 -0.04 2.09 2.32 2zdyA1 GLU 23 HB3 0.19 0.05 0.05 -0.04 1.99 2.24 2zdyA1 GLU 23 HG2 0.09 -0.09 -0.03 -0.04 2.34 2.27 2zdyA1 GLU 23 HG3 0.07 0.08 -0.03 -0.04 2.34 2.42 2zdyA1 VAL 24 H 0.11 0.13 -0.33 -0.55 8.24 7.60 2zdyA1 VAL 24 HA 0.16 0.08 0.54 -0.75 4.13 4.16 2zdyA1 VAL 24 HB 0.06 0.13 0.05 -0.04 2.12 2.31 2zdyA1 VAL 24 HG13 0.04 0.01 -0.17 -0.04 0.97 0.81 2zdyA1 VAL 24 HG23 0.07 -0.01 -0.01 -0.04 0.95 0.95 2zdyA1 GLU 25 H 0.08 0.43 -0.13 -0.55 8.60 8.42 2zdyA1 GLU 25 HA 0.05 0.05 0.31 -0.75 4.29 3.94 2zdyA1 GLU 25 HB2 0.05 0.04 0.07 -0.04 2.09 2.20 2zdyA1 GLU 25 HB3 0.05 0.01 -0.06 -0.04 1.99 1.96 2zdyA1 GLU 25 HG2 0.02 0.00 -0.03 -0.04 2.34 2.30 2zdyA1 GLU 25 HG3 0.02 -0.04 -0.02 -0.04 2.34 2.26 2zdyA1 HIS 26 H 0.16 0.38 -0.35 -0.55 8.41 8.05 2zdyA1 HIS 26 HA -0.06 0.04 0.28 -0.75 4.63 4.14 2zdyA1 HIS 26 HB2 -0.09 -0.03 0.06 -0.04 3.26 3.16 2zdyA1 HIS 26 HB3 -0.12 0.02 0.15 -0.04 3.20 3.21 2zdyA1 HIS 26 HD2 -1.62 0.01 -0.05 -0.04 6.97 5.27 2zdyA1 HIS 26 HE1 -0.04 -0.02 -0.04 -0.04 7.75 7.61 2zdyA1 PHE 27 H 0.21 0.51 -0.03 -0.55 8.34 8.47 2zdyA1 PHE 27 HA 0.02 0.04 0.35 -0.75 4.62 4.28 2zdyA1 PHE 27 HB2 0.04 0.11 0.09 -0.04 3.15 3.35 2zdyA1 PHE 27 HB3 0.02 -0.03 -0.15 -0.04 3.06 2.87 2zdyA1 PHE 27 HD2 0.00 0.19 0.08 -0.04 7.28 7.51 2zdyA1 PHE 27 HE2 0.11 -0.04 0.03 -0.04 7.38 7.43 2zdyA1 PHE 27 HZ 0.18 -0.01 0.02 -0.04 7.32 7.48 2zdyA1 SER 28 H 0.11 0.46 -0.42 -0.55 8.46 8.06 2zdyA1 SER 28 HA 0.13 0.08 0.46 -0.75 4.49 4.41 2zdyA1 SER 28 HB2 0.11 -0.06 -0.06 -0.04 3.95 3.90 2zdyA1 SER 28 HB3 0.08 0.00 -0.16 -0.04 3.93 3.81 2zdyA1 ARG 29 H -0.05 0.35 -0.51 -0.55 8.46 7.70 2zdyA1 ARG 29 HA -0.04 0.04 0.49 -0.75 4.34 4.08 2zdyA1 ARG 29 HB2 -0.41 0.09 0.07 -0.04 1.90 1.60 2zdyA1 ARG 29 HB3 -0.22 -0.13 0.11 -0.04 1.80 1.53 2zdyA1 ARG 29 HG2 -0.04 -0.07 0.01 -0.04 1.67 1.53 2zdyA1 ARG 29 HG3 -0.08 0.30 0.19 -0.04 1.67 2.03 2zdyA1 ARG 29 HD2 -0.07 -0.09 0.02 -0.04 3.22 3.04 2zdyA1 ARG 29 HD3 -0.02 -0.06 -0.02 -0.04 3.22 3.08 2zdyA1 TYR 30 H 0.15 0.31 -0.38 -0.55 8.29 7.82 2zdyA1 TYR 30 HA -0.00 0.04 0.78 -0.75 4.56 4.63 2zdyA1 TYR 30 HB2 0.03 0.13 0.05 -0.04 3.06 3.23 2zdyA1 TYR 30 HB3 0.01 0.06 0.02 -0.04 2.98 3.03 2zdyA1 TYR 30 HD2 -0.07 0.05 0.06 -0.04 7.15 7.15 2zdyA1 TYR 30 HE2 -0.43 -0.04 -0.05 -0.04 6.85 6.29 2zdyA1 SER 31 H 0.14 0.05 0.13 -0.55 8.46 8.24 2zdyA1 SER 31 HA 0.10 0.16 0.82 -0.75 4.49 4.81 2zdyA1 SER 31 HB2 0.08 -0.08 0.11 -0.04 3.95 4.03 2zdyA1 SER 31 HB3 0.07 0.14 0.05 -0.04 3.93 4.15 2zdyA1 PRO 32 HA 0.04 0.03 0.55 -0.51 4.44 4.56 2zdyA1 PRO 32 HB2 0.06 -0.01 -0.15 -0.04 2.28 2.14 2zdyA1 PRO 32 HB3 0.04 0.00 0.03 -0.04 2.02 2.05 2zdyA1 PRO 32 HG2 0.06 -0.00 -0.05 -0.04 2.03 1.99 2zdyA1 PRO 32 HG3 0.05 0.18 0.07 -0.04 2.03 2.29 2zdyA1 PRO 32 HD2 0.08 0.01 0.26 -0.04 3.68 3.98 2zdyA1 PRO 32 HD3 0.08 0.20 0.12 -0.04 3.65 4.01 2zdyA1 SER 33 H 0.09 0.13 0.08 -0.55 8.46 8.21 2zdyA1 SER 33 HA 0.10 0.24 0.87 -0.75 4.49 4.95 2zdyA1 SER 33 HB2 0.33 -0.07 0.11 -0.04 3.95 4.27 2zdyA1 SER 33 HB3 0.18 0.02 -0.01 -0.04 3.93 4.08 2zdyA1 PRO 34 HA 0.09 -0.01 0.46 -0.51 4.44 4.48 2zdyA1 PRO 34 HB2 0.05 -0.06 0.01 -0.04 2.28 2.24 2zdyA1 PRO 34 HB3 0.04 0.32 0.07 -0.04 2.02 2.41 2zdyA1 PRO 34 HG2 0.05 0.01 0.06 -0.04 2.03 2.10 2zdyA1 PRO 34 HG3 0.06 0.05 -0.03 -0.04 2.03 2.06 2zdyA1 PRO 34 HD2 0.07 0.04 0.17 -0.04 3.68 3.93 2zdyA1 PRO 34 HD3 0.08 0.35 0.13 -0.04 3.65 4.16 2zdyA1 LEU 35 H 0.11 0.14 0.24 -0.55 8.37 8.31 2zdyA1 LEU 35 HA 0.04 0.15 0.88 -0.75 4.35 4.67 2zdyA1 LEU 35 HB2 0.14 0.01 0.12 -0.04 1.64 1.87 2zdyA1 LEU 35 HB3 0.08 0.04 -0.03 -0.04 1.64 1.69 2zdyA1 LEU 35 HG -0.05 -0.06 -0.00 -0.04 1.64 1.49 2zdyA1 LEU 35 HD13 -0.05 0.08 -0.18 -0.04 0.93 0.74 2zdyA1 LEU 35 HD23 0.04 0.00 -0.03 -0.04 0.89 0.86 2zdyA1 SER 36 H 0.02 0.08 0.17 -0.55 8.46 8.18 2zdyA1 SER 36 HA 0.07 0.39 1.00 -0.75 4.49 5.21 2zdyA1 SER 36 HB2 -0.02 0.15 0.03 -0.04 3.95 4.07 2zdyA1 SER 36 HB3 0.01 0.11 0.01 -0.04 3.93 4.02 2zdyA1 MET 37 H -0.19 0.75 0.34 -0.55 8.47 8.83 2zdyA1 MET 37 HA -0.27 0.05 0.44 -0.75 4.52 3.99 2zdyA1 MET 37 HB2 -0.78 0.13 0.20 -0.04 2.15 1.66 2zdyA1 MET 37 HB3 -0.28 -0.00 0.17 -0.04 2.03 1.88 2zdyA1 MET 37 HG2 -0.27 -0.03 -0.15 -0.04 2.63 2.14 2zdyA1 MET 37 HG3 -0.32 -0.05 -0.00 -0.04 2.56 2.15 2zdyA1 MET 37 HE3 -0.63 0.05 0.01 -0.04 2.10 1.49 2zdyA1 LYS 38 H -0.10 0.31 -0.26 -0.55 8.42 7.82 2zdyA1 LYS 38 HA -0.10 0.08 0.38 -0.75 4.32 3.93 2zdyA1 LYS 38 HB2 -0.05 -0.12 -0.27 -0.04 1.87 1.39 2zdyA1 LYS 38 HB3 -0.04 0.01 -0.03 -0.04 1.79 1.68 2zdyA1 LYS 38 HG2 -0.03 0.05 -0.22 -0.04 1.46 1.22 2zdyA1 LYS 38 HG3 -0.05 0.02 -0.02 -0.04 1.46 1.37 2zdyA1 LYS 38 HD2 -0.02 0.02 -0.02 -0.04 1.69 1.62 2zdyA1 LYS 38 HD3 -0.03 -0.11 -0.04 -0.04 1.68 1.46 2zdyA1 LYS 38 HE2 -0.01 0.04 -0.04 -0.04 2.99 2.93 2zdyA1 LYS 38 HE3 -0.01 0.00 -0.01 -0.04 2.99 2.93 2zdyA1 GLN 39 H -0.05 0.08 -0.17 -0.55 8.47 7.79 2zdyA1 GLN 39 HA -0.04 0.07 0.48 -0.75 4.36 4.11 2zdyA1 GLN 39 HB2 -0.02 0.03 0.15 -0.04 2.15 2.27 2zdyA1 GLN 39 HB3 -0.01 0.06 0.01 -0.04 2.02 2.03 2zdyA1 GLN 39 HG2 -0.02 0.04 0.05 -0.04 2.40 2.43 2zdyA1 GLN 39 HG3 -0.02 -0.07 0.06 -0.04 2.39 2.32 2zdyA1 GLN 39 HE21 -0.02 0.08 0.03 -0.04 6.97 7.02 2zdyA1 GLN 39 HE22 -0.02 -0.01 0.02 -0.04 7.69 7.64 2zdyA1 LEU 40 H -0.11 0.43 -0.29 -0.55 8.37 7.84 2zdyA1 LEU 40 HA -0.51 0.06 0.42 -0.75 4.35 3.57 2zdyA1 LEU 40 HB2 -0.14 0.04 0.11 -0.04 1.64 1.61 2zdyA1 LEU 40 HB3 -0.21 -0.01 -0.07 -0.04 1.64 1.31 2zdyA1 LEU 40 HG 0.03 -0.02 -0.09 -0.04 1.64 1.53 2zdyA1 LEU 40 HD13 0.18 -0.01 -0.16 -0.04 0.93 0.89 2zdyA1 LEU 40 HD23 0.10 0.00 -0.03 -0.04 0.89 0.91 2zdyA1 LEU 41 H -0.20 0.58 -0.11 -0.55 8.37 8.10 2zdyA1 LEU 41 HA -0.21 0.05 0.44 -0.75 4.35 3.87 2zdyA1 LEU 41 HB2 -0.13 0.09 0.23 -0.04 1.64 1.79 2zdyA1 LEU 41 HB3 -0.11 -0.01 -0.05 -0.04 1.64 1.43 2zdyA1 LEU 41 HG -0.14 -0.03 -0.01 -0.04 1.64 1.41 2zdyA1 LEU 41 HD13 -0.08 -0.03 -0.01 -0.04 0.93 0.77 2zdyA1 LEU 41 HD23 -0.12 0.01 0.04 -0.04 0.89 0.78 2zdyA1 ASP 42 H -0.15 0.26 -0.51 -0.55 8.40 7.45 2zdyA1 ASP 42 HA -0.05 0.01 0.07 -0.75 4.63 3.91 2zdyA1 ASP 42 HB2 -0.02 0.10 0.17 -0.04 2.71 2.92 2zdyA1 ASP 42 HB3 0.02 -0.03 -0.02 -0.04 2.70 2.62 2zdyA1 PHE 43 H -0.15 0.37 -0.16 -0.55 8.34 7.85 2zdyA1 PHE 43 HA 0.05 0.12 0.58 -0.75 4.62 4.62 2zdyA1 PHE 43 HB2 0.14 0.02 0.16 -0.04 3.15 3.43 2zdyA1 PHE 43 HB3 0.04 -0.05 0.07 -0.04 3.06 3.07 2zdyA1 PHE 43 HD2 0.06 0.02 -0.13 -0.04 7.28 7.18 2zdyA1 PHE 43 HE2 0.09 -0.04 -0.14 -0.04 7.38 7.25 2zdyA1 PHE 43 HZ 0.16 -0.03 -0.02 -0.04 7.32 7.38 2zdyA1 GLY 44 H -0.10 0.37 -0.68 -0.55 8.43 7.48 2zdyA1 GLY 44 HA2 -0.04 0.16 0.80 -0.51 4.01 4.42 2zdyA1 GLY 44 HA3 -0.11 0.01 0.31 -0.51 4.01 3.71 2zdyA1 SER 45 H 0.02 0.57 -0.11 -0.55 8.46 8.40 2zdyA1 SER 45 HA -0.01 0.06 0.27 -0.75 4.49 4.04 2zdyA1 SER 45 HB2 0.01 -0.09 0.10 -0.04 3.95 3.92 2zdyA1 SER 45 HB3 -0.00 -0.02 0.14 -0.04 3.93 4.01 2zdyA1 CYS 49 HA 0.06 -0.06 0.29 -0.75 4.58 4.11 2zdyA1 CYS 49 HB2 0.05 0.09 0.12 -0.04 2.97 3.18 2zdyA1 CYS 49 HB3 0.04 0.00 0.15 -0.04 2.97 3.12 2zdyA1 GLU 50 H -0.14 0.16 0.14 -0.55 8.60 8.21 2zdyA1 GLU 50 HA -1.26 0.15 0.35 -0.75 4.29 2.78 2zdyA1 GLU 50 HB2 -0.59 0.11 0.15 -0.04 2.09 1.71 2zdyA1 GLU 50 HB3 -0.29 -0.06 0.14 -0.04 1.99 1.73 2zdyA1 GLU 50 HG2 -0.29 -0.05 -0.08 -0.04 2.34 1.88 2zdyA1 GLU 50 HG3 -1.06 0.05 0.07 -0.04 2.34 1.36 2zdyA1 ARG 51 H -0.14 0.08 -0.05 -0.55 8.46 7.80 2zdyA1 ARG 51 HA -0.12 0.17 0.47 -0.75 4.34 4.10 2zdyA1 ARG 51 HB2 -0.05 -0.04 0.04 -0.04 1.90 1.80 2zdyA1 ARG 51 HB3 -0.04 -0.01 -0.08 -0.04 1.80 1.64 2zdyA1 ARG 51 HG2 -0.11 0.44 -0.10 -0.04 1.67 1.86 2zdyA1 ARG 51 HG3 -0.10 -0.08 0.10 -0.04 1.67 1.54 2zdyA1 ARG 51 HD2 -0.04 -0.01 -0.07 -0.04 3.22 3.07 2zdyA1 ARG 51 HD3 -0.05 -0.03 -0.02 -0.04 3.22 3.08 2zdyA1 THR 52 H -0.06 0.23 -0.39 -0.55 8.28 7.51 2zdyA1 THR 52 HA -0.00 0.05 0.33 -0.75 4.39 4.01 2zdyA1 THR 52 HB -0.02 0.19 0.10 -0.04 4.32 4.55 2zdyA1 THR 52 HG23 -0.01 -0.00 -0.03 -0.04 1.22 1.14 2zdyA1 SER 53 H -0.12 0.47 -0.02 -0.55 8.46 8.25 2zdyA1 SER 53 HA -0.18 0.03 0.56 -0.75 4.49 4.15 2zdyA1 SER 53 HB2 -0.46 0.09 0.12 -0.04 3.95 3.66 2zdyA1 SER 53 HB3 -0.08 0.08 0.18 -0.04 3.93 4.06 2zdyA1 PHE 54 H 0.03 0.61 -0.12 -0.55 8.34 8.32 2zdyA1 PHE 54 HA -0.61 -0.00 0.46 -0.75 4.62 3.71 2zdyA1 PHE 54 HB2 -0.31 -0.02 0.10 -0.04 3.15 2.88 2zdyA1 PHE 54 HB3 -0.25 0.15 0.22 -0.04 3.06 3.13 2zdyA1 PHE 54 HD2 -0.84 0.01 -0.06 -0.04 7.28 6.35 2zdyA1 PHE 54 HE2 -0.30 0.04 -0.17 -0.04 7.38 6.91 2zdyA1 PHE 54 HZ 0.06 0.09 -0.13 -0.04 7.32 7.29 2zdyA1 ALA 55 H 0.03 0.56 -0.02 -0.55 8.40 8.43 2zdyA1 ALA 55 HA -0.30 0.06 0.37 -0.75 4.34 3.72 2zdyA1 ALA 55 HB3 -0.00 0.00 0.11 -0.04 1.41 1.48 2zdyA1 PHE 56 H 0.03 0.39 -0.37 -0.55 8.34 7.83 2zdyA1 PHE 56 HA -0.12 0.04 0.50 -0.75 4.62 4.29 2zdyA1 PHE 56 HB2 -0.07 0.04 0.14 -0.04 3.15 3.22 2zdyA1 PHE 56 HB3 -0.11 0.08 0.24 -0.04 3.06 3.22 2zdyA1 PHE 56 HD2 -0.02 0.02 -0.01 -0.04 7.28 7.23 2zdyA1 PHE 56 HE2 0.04 -0.00 -0.02 -0.04 7.38 7.36 2zdyA1 PHE 56 HZ 0.04 0.11 -0.00 -0.04 7.32 7.43 2zdyA1 LEU 57 H -0.05 0.80 0.10 -0.55 8.37 8.67 2zdyA1 LEU 57 HA -0.22 -0.06 0.30 -0.75 4.35 3.62 2zdyA1 LEU 57 HB2 -0.02 0.08 0.13 -0.04 1.64 1.79 2zdyA1 LEU 57 HB3 0.07 -0.07 0.01 -0.04 1.64 1.60 2zdyA1 LEU 57 HG 0.14 0.18 0.15 -0.04 1.64 2.07 2zdyA1 LEU 57 HD13 0.09 -0.01 -0.04 -0.04 0.93 0.93 2zdyA1 LEU 57 HD23 0.22 -0.03 -0.02 -0.04 0.89 1.02 2zdyA1 ARG 58 H -0.53 0.60 -0.20 -0.55 8.46 7.78 2zdyA1 ARG 58 HA -0.14 -0.01 0.32 -0.75 4.34 3.75 2zdyA1 ARG 58 HB2 -0.32 0.00 0.02 -0.04 1.90 1.56 2zdyA1 ARG 58 HB3 -1.18 0.01 0.07 -0.04 1.80 0.65 2zdyA1 ARG 58 HG2 -0.64 0.18 0.02 -0.04 1.67 1.19 2zdyA1 ARG 58 HG3 -0.52 -0.02 -0.32 -0.04 1.67 0.76 2zdyA1 ARG 58 HD2 -0.34 -0.04 -0.28 -0.04 3.22 2.52 2zdyA1 ARG 58 HD3 -1.23 -0.06 -0.15 -0.04 3.22 1.74 2zdyA1 GLN 59 H -0.36 0.31 -0.45 -0.55 8.47 7.42 2zdyA1 GLN 59 HA -0.18 0.09 0.75 -0.75 4.36 4.26 2zdyA1 GLN 59 HB2 -0.31 0.10 0.12 -0.04 2.15 2.01 2zdyA1 GLN 59 HB3 -0.33 0.06 0.18 -0.04 2.02 1.89 2zdyA1 GLN 59 HG2 -0.20 -0.03 0.03 -0.04 2.40 2.16 2zdyA1 GLN 59 HG3 -0.23 -0.04 -0.04 -0.04 2.39 2.05 2zdyA1 GLN 59 HE21 -0.55 -0.03 -0.00 -0.04 6.97 6.35 2zdyA1 GLN 59 HE22 -0.44 0.06 -0.02 -0.04 7.69 7.25 2zdyA1 GLU 60 H -0.50 0.64 0.19 -0.55 8.60 8.38 2zdyA1 GLU 60 HA -0.29 0.02 0.31 -0.75 4.29 3.57 2zdyA1 GLU 60 HB2 -1.24 0.05 0.10 -0.04 2.09 0.95 2zdyA1 GLU 60 HB3 -0.54 -0.02 0.07 -0.04 1.99 1.46 2zdyA1 GLU 60 HG2 -0.09 0.02 -0.01 -0.04 2.34 2.22 2zdyA1 GLU 60 HG3 -0.12 -0.03 -0.18 -0.04 2.34 1.97 2zdyA1 LEU 61 H -0.20 0.64 -0.06 -0.55 8.37 8.20 2zdyA1 LEU 61 HA -0.10 -0.02 0.33 -0.75 4.35 3.80 2zdyA1 LEU 61 HB2 -0.10 0.17 0.07 -0.04 1.64 1.75 2zdyA1 LEU 61 HB3 -0.09 -0.08 -0.02 -0.04 1.64 1.41 2zdyA1 LEU 61 HG -0.07 0.04 0.12 -0.04 1.64 1.68 2zdyA1 LEU 61 HD13 -0.05 -0.01 -0.06 -0.04 0.93 0.77 2zdyA1 LEU 61 HD23 -0.03 -0.03 0.01 -0.04 0.89 0.81 2zdyA1 PRO 62 HA -0.17 -0.03 0.55 -0.51 4.44 4.28 2zdyA1 PRO 62 HB2 -0.81 0.10 0.04 -0.04 2.28 1.56 2zdyA1 PRO 62 HB3 -0.58 -0.06 0.09 -0.04 2.02 1.43 2zdyA1 PRO 62 HG2 -0.26 0.30 0.10 -0.04 2.03 2.13 2zdyA1 PRO 62 HG3 -0.21 -0.06 0.05 -0.04 2.03 1.77 2zdyA1 PRO 62 HD2 -0.21 0.19 -0.66 -0.04 3.68 2.95 2zdyA1 PRO 62 HD3 -0.14 0.07 -0.04 -0.04 3.65 3.49 2zdyA1 VAL 63 H -0.14 0.50 -0.20 -0.55 8.24 7.85 2zdyA1 VAL 63 HA 0.13 0.11 0.45 -0.75 4.13 4.07 2zdyA1 VAL 63 HB -0.06 0.11 0.14 -0.04 2.12 2.28 2zdyA1 VAL 63 HG13 0.09 0.04 -0.39 -0.04 0.97 0.68 2zdyA1 VAL 63 HG23 -0.02 0.06 0.03 -0.04 0.95 0.99 2zdyA1 ARG 64 H -0.06 0.52 -0.11 -0.55 8.46 8.25 2zdyA1 ARG 64 HA -0.00 0.07 0.44 -0.75 4.34 4.09 2zdyA1 ARG 64 HB2 -0.07 0.06 0.12 -0.04 1.90 1.97 2zdyA1 ARG 64 HB3 -0.06 -0.04 0.07 -0.04 1.80 1.72 2zdyA1 ARG 64 HG2 0.00 -0.03 0.01 -0.04 1.67 1.61 2zdyA1 ARG 64 HG3 -0.04 0.23 0.05 -0.04 1.67 1.87 2zdyA1 ARG 64 HD2 -0.01 -0.03 -0.08 -0.04 3.22 3.07 2zdyA1 ARG 64 HD3 0.00 -0.01 -0.03 -0.04 3.22 3.14 2zdyA1 LEU 65 H -0.09 0.54 -0.10 -0.55 8.37 8.17 2zdyA1 LEU 65 HA -0.19 0.02 0.54 -0.75 4.35 3.97 2zdyA1 LEU 65 HB2 -0.09 0.06 0.18 -0.04 1.64 1.75 2zdyA1 LEU 65 HB3 -0.08 -0.03 0.01 -0.04 1.64 1.50 2zdyA1 LEU 65 HG -0.17 0.10 0.03 -0.04 1.64 1.55 2zdyA1 LEU 65 HD13 -0.05 -0.00 -0.12 -0.04 0.93 0.73 2zdyA1 LEU 65 HD23 -0.59 -0.02 0.01 -0.04 0.89 0.24 2zdyA1 ALA 66 H 0.01 0.71 -0.14 -0.55 8.40 8.43 2zdyA1 ALA 66 HA 0.06 -0.05 0.39 -0.75 4.34 3.98 2zdyA1 ALA 66 HB3 0.13 0.08 0.02 -0.04 1.41 1.60 2zdyA1 ASN 67 H 0.06 0.63 -0.12 -0.55 8.53 8.56 2zdyA1 ASN 67 HA 0.10 0.07 0.54 -0.75 4.76 4.72 2zdyA1 ASN 67 HB2 0.06 0.14 0.22 -0.04 2.88 3.26 2zdyA1 ASN 67 HB3 0.11 -0.14 0.00 -0.04 2.79 2.73 2zdyA1 ASN 67 HD21 0.13 0.50 0.16 -0.04 7.03 7.78 2zdyA1 ASN 67 HD22 0.11 0.42 0.22 -0.04 7.74 8.45 2zdyA1 ILE 68 H 0.03 0.46 -0.25 -0.55 8.25 7.94 2zdyA1 ILE 68 HA 0.10 0.00 0.33 -0.75 4.18 3.86 2zdyA1 ILE 68 HB 0.01 0.09 0.11 -0.04 1.89 2.07 2zdyA1 ILE 68 HG12 0.13 0.01 0.02 -0.04 1.49 1.61 2zdyA1 ILE 68 HG13 0.36 -0.07 -0.04 -0.04 1.21 1.42 2zdyA1 ILE 68 HG23 0.13 0.03 -0.02 -0.04 0.93 1.03 2zdyA1 ILE 68 HD13 0.03 -0.00 -0.08 -0.04 0.88 0.79 2zdyA1 LEU 69 H 0.07 0.56 -0.20 -0.55 8.37 8.25 2zdyA1 LEU 69 HA 0.10 -0.02 0.45 -0.75 4.35 4.13 2zdyA1 LEU 69 HB2 0.05 0.12 0.16 -0.04 1.64 1.93 2zdyA1 LEU 69 HB3 0.03 -0.06 -0.02 -0.04 1.64 1.55 2zdyA1 LEU 69 HG 0.23 0.04 0.02 -0.04 1.64 1.89 2zdyA1 LEU 69 HD13 0.10 -0.03 -0.27 -0.04 0.93 0.68 2zdyA1 LEU 69 HD23 0.12 -0.02 0.03 -0.04 0.89 0.98 2zdyA1 LYS 70 H -0.11 0.55 -0.30 -0.55 8.42 8.00 2zdyA1 LYS 70 HA -0.23 0.01 0.50 -0.75 4.32 3.84 2zdyA1 LYS 70 HB2 -0.70 0.22 0.16 -0.04 1.87 1.50 2zdyA1 LYS 70 HB3 -1.14 -0.08 -0.02 -0.04 1.79 0.51 2zdyA1 LYS 70 HG2 -0.08 0.23 0.03 -0.04 1.46 1.59 2zdyA1 LYS 70 HG3 -0.03 0.02 -0.02 -0.04 1.46 1.39 2zdyA1 LYS 70 HD2 -0.11 -0.04 -0.06 -0.04 1.69 1.44 2zdyA1 LYS 70 HD3 -0.01 -0.04 -0.14 -0.04 1.68 1.44 2zdyA1 LYS 70 HE2 0.09 0.04 -0.06 -0.04 2.99 3.02 2zdyA1 LYS 70 HE3 -0.09 -0.01 -0.04 -0.04 2.99 2.81 2zdyA1 GLU 71 H -0.21 0.34 -0.18 -0.55 8.60 8.01 2zdyA1 GLU 71 HA -0.22 0.04 0.38 -0.75 4.29 3.75 2zdyA1 GLU 71 HB2 0.27 0.10 0.09 -0.04 2.09 2.51 2zdyA1 GLU 71 HB3 0.37 -0.04 -0.01 -0.04 1.99 2.26 2zdyA1 GLU 71 HG2 0.31 -0.05 -0.04 -0.04 2.34 2.53 2zdyA1 GLU 71 HG3 0.11 0.21 0.05 -0.04 2.34 2.67 2zdyA1 ILE 72 H 0.05 0.58 -0.11 -0.55 8.25 8.22 2zdyA1 ILE 72 HA -0.33 -0.03 0.43 -0.75 4.18 3.50 2zdyA1 ILE 72 HB -0.02 0.16 0.13 -0.04 1.89 2.12 2zdyA1 ILE 72 HG12 0.11 -0.07 -0.00 -0.04 1.49 1.49 2zdyA1 ILE 72 HG13 0.30 0.17 0.03 -0.04 1.21 1.67 2zdyA1 ILE 72 HG23 -0.16 -0.02 -0.14 -0.04 0.93 0.57 2zdyA1 ILE 72 HD13 0.15 -0.02 -0.08 -0.04 0.88 0.88 2zdyA1 ASP 73 H -0.15 0.34 -0.55 -0.55 8.40 7.50 2zdyA1 ASP 73 HA -0.12 -0.02 0.23 -0.75 4.63 3.97 2zdyA1 ASP 73 HB2 -0.12 0.15 0.21 -0.04 2.71 2.91 2zdyA1 ASP 73 HB3 -0.12 0.05 0.03 -0.04 2.70 2.63 2zdyA1 ILE 74 H -0.20 0.32 -0.38 -0.55 8.25 7.44 2zdyA1 ILE 74 HA -0.09 0.12 0.73 -0.75 4.18 4.18 2zdyA1 ILE 74 HB -0.08 -0.06 0.15 -0.04 1.89 1.87 2zdyA1 ILE 74 HG12 -0.24 0.13 0.10 -0.04 1.49 1.44 2zdyA1 ILE 74 HG13 -0.56 -0.00 -0.18 -0.04 1.21 0.43 2zdyA1 ILE 74 HG23 0.12 0.01 -0.05 -0.04 0.93 0.97 2zdyA1 ILE 74 HD13 0.03 -0.03 -0.03 -0.04 0.88 0.81 2zdyA1 LEU 75 H -0.28 0.44 -0.48 -0.55 8.37 7.51 2zdyA1 LEU 75 HA -0.33 0.02 0.46 -0.75 4.35 3.75 2zdyA1 LEU 75 HB2 -0.44 0.42 0.19 -0.04 1.64 1.77 2zdyA1 LEU 75 HB3 -0.37 -0.12 -0.08 -0.04 1.64 1.02 2zdyA1 LEU 75 HG -0.55 -0.07 0.06 -0.04 1.64 1.04 2zdyA1 LEU 75 HD13 -1.23 0.01 -0.04 -0.04 0.93 -0.37 2zdyA1 LEU 75 HD23 -0.80 -0.03 -0.04 -0.04 0.89 -0.02 2zdyA1 PRO 76 HA -0.08 0.08 0.51 -0.51 4.44 4.44 2zdyA1 PRO 76 HB2 -0.31 -0.11 0.12 -0.04 2.28 1.94 2zdyA1 PRO 76 HB3 0.00 0.07 0.11 -0.04 2.02 2.17 2zdyA1 PRO 76 HG2 -0.12 0.03 0.08 -0.04 2.03 1.98 2zdyA1 PRO 76 HG3 -0.02 0.07 0.10 -0.04 2.03 2.13 2zdyA1 PRO 76 HD2 -0.34 0.06 0.18 -0.04 3.68 3.54 2zdyA1 PRO 76 HD3 -0.18 0.18 0.19 -0.04 3.65 3.80 2zdyA1 THR 77 H -0.07 0.19 0.22 -0.55 8.28 8.07 2zdyA1 THR 77 HA -0.11 0.16 0.20 -0.75 4.39 3.88 2zdyA1 THR 77 HB -0.05 0.02 0.06 -0.04 4.32 4.30 2zdyA1 THR 77 HG23 -0.05 0.03 0.09 -0.04 1.22 1.26 2zdyA1 GLN 78 H -0.03 0.05 -0.33 -0.55 8.47 7.62 2zdyA1 GLN 78 HA -0.02 0.13 0.60 -0.75 4.36 4.32 2zdyA1 GLN 78 HB2 0.16 -0.03 0.00 -0.04 2.15 2.25 2zdyA1 GLN 78 HB3 0.15 0.11 0.04 -0.04 2.02 2.28 2zdyA1 GLN 78 HG2 0.02 0.02 -0.01 -0.04 2.40 2.38 2zdyA1 GLN 78 HG3 0.03 -0.07 -0.01 -0.04 2.39 2.30 2zdyA1 GLN 78 HE21 0.02 0.02 0.02 -0.04 6.97 6.99 2zdyA1 GLN 78 HE22 0.02 -0.02 0.01 -0.04 7.69 7.67 2zdyA1 LEU 79 H -0.29 0.49 -0.23 -0.55 8.37 7.78 2zdyA1 LEU 79 HA -0.42 0.16 0.80 -0.75 4.35 4.13 2zdyA1 LEU 79 HB2 -0.98 -0.07 0.11 -0.04 1.64 0.66 2zdyA1 LEU 79 HB3 -0.48 0.06 0.06 -0.04 1.64 1.23 2zdyA1 LEU 79 HG -1.09 0.03 0.00 -0.04 1.64 0.54 2zdyA1 LEU 79 HD13 -0.39 -0.01 -0.03 -0.04 0.93 0.46 2zdyA1 LEU 79 HD23 -0.27 -0.01 -0.10 -0.04 0.89 0.47 2zdyA1 VAL 80 H -0.25 0.60 -0.04 -0.55 8.24 8.00 2zdyA1 VAL 80 HA -0.23 -0.02 0.17 -0.75 4.13 3.29 2zdyA1 VAL 80 HB -0.14 0.03 -0.07 -0.04 2.12 1.90 2zdyA1 VAL 80 HG13 -0.15 -0.00 -0.06 -0.04 0.97 0.72 2zdyA1 VAL 80 HG23 -0.23 0.09 -0.29 -0.04 0.95 0.48 2zdyA1 ASN 81 H -0.13 0.11 -0.88 -0.55 8.53 7.08 2zdyA1 ASN 81 HA -0.09 0.13 0.55 -0.75 4.76 4.59 2zdyA1 ASN 81 HB2 -0.06 0.05 0.03 -0.04 2.88 2.85 2zdyA1 ASN 81 HB3 -0.05 -0.09 0.08 -0.04 2.79 2.69 2zdyA1 ASN 81 HD21 -0.05 -0.06 -0.02 -0.04 7.03 6.86 2zdyA1 ASN 81 HD22 -0.04 -0.06 -0.02 -0.04 7.74 7.58 2zdyA1 THR 82 H -0.11 0.50 -0.26 -0.55 8.28 7.85 2zdyA1 THR 82 HA -0.05 0.09 0.61 -0.75 4.39 4.29 2zdyA1 THR 82 HB -0.05 -0.17 0.15 -0.04 4.32 4.21 2zdyA1 THR 82 HG23 -0.02 0.09 0.14 -0.04 1.22 1.39 2zdyA1 SER 83 H -0.06 0.18 0.17 -0.55 8.46 8.21 2zdyA1 SER 83 HA -0.10 0.14 0.33 -0.75 4.49 4.10 2zdyA1 SER 83 HB2 -0.07 0.02 0.07 -0.04 3.95 3.92 2zdyA1 SER 83 HB3 -0.05 0.06 0.14 -0.04 3.93 4.03 2zdyA1 SER 84 H -0.09 0.07 -0.23 -0.55 8.46 7.67 2zdyA1 SER 84 HA -0.16 0.07 0.34 -0.75 4.49 3.98 2zdyA1 SER 84 HB2 -0.08 -0.07 0.12 -0.04 3.95 3.88 2zdyA1 SER 84 HB3 -0.07 0.42 0.09 -0.04 3.93 4.33 2zdyA1 VAL 85 H -0.16 0.17 -0.21 -0.55 8.24 7.50 2zdyA1 VAL 85 HA -0.24 0.03 0.42 -0.75 4.13 3.58 2zdyA1 VAL 85 HB -0.20 0.22 0.01 -0.04 2.12 2.11 2zdyA1 VAL 85 HG13 -0.25 -0.01 -0.13 -0.04 0.97 0.54 2zdyA1 VAL 85 HG23 -0.22 -0.03 -0.06 -0.04 0.95 0.60 2zdyA1 GLN 86 H -0.18 0.57 -0.17 -0.55 8.47 8.14 2zdyA1 GLN 86 HA -0.17 0.06 0.43 -0.75 4.36 3.92 2zdyA1 GLN 86 HB2 -0.13 0.23 0.06 -0.04 2.15 2.26 2zdyA1 GLN 86 HB3 -0.15 -0.02 0.02 -0.04 2.02 1.83 2zdyA1 GLN 86 HG2 -0.10 -0.02 -0.02 -0.04 2.40 2.22 2zdyA1 GLN 86 HG3 -0.12 -0.09 -0.03 -0.04 2.39 2.11 2zdyA1 GLN 86 HE21 -0.07 0.04 0.01 -0.04 6.97 6.90 2zdyA1 GLN 86 HE22 -0.07 -0.07 0.01 -0.04 7.69 7.52 2zdyA1 LEU 87 H -0.31 0.42 -0.45 -0.55 8.37 7.49 2zdyA1 LEU 87 HA -0.52 0.01 0.50 -0.75 4.35 3.58 2zdyA1 LEU 87 HB2 -0.37 0.36 0.18 -0.04 1.64 1.76 2zdyA1 LEU 87 HB3 -0.73 0.07 0.10 -0.04 1.64 1.04 2zdyA1 LEU 87 HG -1.17 -0.03 -0.06 -0.04 1.64 0.35 2zdyA1 LEU 87 HD13 -0.38 -0.02 0.03 -0.04 0.93 0.52 2zdyA1 LEU 87 HD23 -0.14 -0.02 -0.03 -0.04 0.89 0.66 2zdyA1 VAL 88 H -0.48 0.53 -0.03 -0.55 8.24 7.70 2zdyA1 VAL 88 HA -0.30 -0.01 0.45 -0.75 4.13 3.52 2zdyA1 VAL 88 HB -0.28 0.11 0.15 -0.04 2.12 2.06 2zdyA1 VAL 88 HG13 -0.32 -0.02 -0.13 -0.04 0.97 0.46 2zdyA1 VAL 88 HG23 -0.04 0.04 0.01 -0.04 0.95 0.91 2zdyA1 LYS 89 H -0.26 0.73 -0.16 -0.55 8.42 8.18 2zdyA1 LYS 89 HA -0.07 -0.02 0.46 -0.75 4.32 3.95 2zdyA1 LYS 89 HB2 -0.13 0.05 0.09 -0.04 1.87 1.84 2zdyA1 LYS 89 HB3 -0.14 0.14 0.15 -0.04 1.79 1.90 2zdyA1 LYS 89 HG2 -0.04 -0.05 -0.21 -0.04 1.46 1.12 2zdyA1 LYS 89 HG3 -0.02 -0.06 0.02 -0.04 1.46 1.36 2zdyA1 LYS 89 HD2 -0.09 0.02 -0.04 -0.04 1.69 1.54 2zdyA1 LYS 89 HD3 -0.08 0.01 0.00 -0.04 1.68 1.57 2zdyA1 LYS 89 HE2 -0.03 -0.06 0.01 -0.04 2.99 2.87 2zdyA1 LYS 89 HE3 -0.04 -0.03 0.00 -0.04 2.99 2.89 2zdyA1 SER 90 H -0.22 0.56 -0.19 -0.55 8.46 8.05 2zdyA1 SER 90 HA -0.01 -0.02 0.38 -0.75 4.49 4.08 2zdyA1 SER 90 HB2 -0.19 0.19 0.21 -0.04 3.95 4.13 2zdyA1 SER 90 HB3 -0.33 0.12 0.17 -0.04 3.93 3.85 2zdyA1 TRP 91 H -0.11 0.55 -0.22 -0.55 7.97 7.65 2zdyA1 TRP 91 HA 0.11 -0.02 0.43 -0.75 4.62 4.39 2zdyA1 TRP 91 HB2 -0.00 0.16 0.17 -0.04 3.23 3.52 2zdyA1 TRP 91 HB3 0.25 -0.07 -0.06 -0.04 3.23 3.30 2zdyA1 TRP 91 HD1 0.06 -0.07 -0.05 -0.04 7.22 7.12 2zdyA1 TRP 91 HE1 0.04 -0.05 -0.02 -0.04 10.20 10.13 2zdyA1 TRP 91 HE3 -0.04 -0.03 -0.02 -0.04 7.59 7.46 2zdyA1 TRP 91 HZ2 0.03 -0.04 -0.03 -0.04 7.44 7.35 2zdyA1 TRP 91 HZ3 0.01 -0.04 -0.23 -0.04 7.13 6.83 2zdyA1 TRP 91 HH2 0.02 -0.04 -0.08 -0.04 7.19 7.06 2zdyA1 TYR 92 H 0.28 0.65 -0.04 -0.55 8.29 8.63 2zdyA1 TYR 92 HA 0.16 -0.02 0.34 -0.75 4.56 4.28 2zdyA1 TYR 92 HB2 0.07 0.13 0.17 -0.04 3.06 3.38 2zdyA1 TYR 92 HB3 0.05 -0.03 0.00 -0.04 2.98 2.97 2zdyA1 TYR 92 HD2 -0.08 -0.04 -0.08 -0.04 7.15 6.91 2zdyA1 TYR 92 HE2 -0.39 -0.02 -0.03 -0.04 6.85 6.36 2zdyA1 ILE 93 H 0.19 0.63 -0.25 -0.55 8.25 8.27 2zdyA1 ILE 93 HA 0.11 -0.00 0.49 -0.75 4.18 4.02 2zdyA1 ILE 93 HB 0.09 0.18 0.15 -0.04 1.89 2.26 2zdyA1 ILE 93 HG12 0.07 -0.10 0.02 -0.04 1.49 1.44 2zdyA1 ILE 93 HG13 0.08 0.25 0.06 -0.04 1.21 1.56 2zdyA1 ILE 93 HG23 0.06 -0.04 -0.11 -0.04 0.93 0.80 2zdyA1 ILE 93 HD13 0.02 -0.01 -0.03 -0.04 0.88 0.81 2zdyA1 GLN 94 H 0.18 0.55 -0.07 -0.55 8.47 8.58 2zdyA1 GLN 94 HA 0.09 -0.03 0.38 -0.75 4.36 4.04 2zdyA1 GLN 94 HB2 0.15 0.07 0.14 -0.04 2.15 2.47 2zdyA1 GLN 94 HB3 0.19 0.11 0.17 -0.04 2.02 2.44 2zdyA1 GLN 94 HG2 0.11 0.00 -0.01 -0.04 2.40 2.45 2zdyA1 GLN 94 HG3 0.08 -0.03 -0.15 -0.04 2.39 2.25 2zdyA1 GLN 94 HE21 0.04 -0.01 -0.01 -0.04 6.97 6.96 2zdyA1 GLN 94 HE22 0.05 -0.04 0.01 -0.04 7.69 7.68 2zdyA1 SER 95 H 0.21 0.65 -0.09 -0.55 8.46 8.68 2zdyA1 SER 95 HA 0.04 -0.01 0.36 -0.75 4.49 4.12 2zdyA1 SER 95 HB2 0.21 0.11 0.09 -0.04 3.95 4.31 2zdyA1 SER 95 HB3 0.02 -0.05 -0.02 -0.04 3.93 3.84 2zdyA1 LEU 96 H 0.07 0.52 -0.25 -0.55 8.37 8.17 2zdyA1 LEU 96 HA -0.06 0.01 0.38 -0.75 4.35 3.93 2zdyA1 LEU 96 HB2 -0.00 0.07 0.12 -0.04 1.64 1.79 2zdyA1 LEU 96 HB3 0.03 0.14 0.18 -0.04 1.64 1.94 2zdyA1 LEU 96 HG -0.18 -0.04 0.03 -0.04 1.64 1.41 2zdyA1 LEU 96 HD13 0.02 0.01 -0.05 -0.04 0.93 0.87 2zdyA1 LEU 96 HD23 0.01 -0.02 -0.34 -0.04 0.89 0.50 2zdyA1 MET 97 H 0.03 0.58 -0.11 -0.55 8.47 8.44 2zdyA1 MET 97 HA -0.01 -0.04 0.45 -0.75 4.52 4.16 2zdyA1 MET 97 HB2 0.04 0.13 0.13 -0.04 2.15 2.40 2zdyA1 MET 97 HB3 0.02 -0.08 0.04 -0.04 2.03 1.97 2zdyA1 MET 97 HG2 0.04 0.40 0.14 -0.04 2.63 3.17 2zdyA1 MET 97 HG3 0.04 -0.04 -0.01 -0.04 2.56 2.51 2zdyA1 MET 97 HE3 0.02 -0.01 -0.03 -0.04 2.10 2.04 2zdyA1 ASP 98 H 0.04 0.75 -0.08 -0.55 8.40 8.56 2zdyA1 ASP 98 HA 0.07 -0.04 0.36 -0.75 4.63 4.27 2zdyA1 ASP 98 HB2 0.04 0.18 0.17 -0.04 2.71 3.06 2zdyA1 ASP 98 HB3 0.10 -0.07 -0.00 -0.04 2.70 2.69 2zdyA1 LEU 99 H 0.04 0.46 -0.36 -0.55 8.37 7.96 2zdyA1 LEU 99 HA 0.28 0.01 0.48 -0.75 4.35 4.37 2zdyA1 LEU 99 HB2 -0.05 0.13 0.17 -0.04 1.64 1.85 2zdyA1 LEU 99 HB3 0.02 0.01 0.06 -0.04 1.64 1.69 2zdyA1 LEU 99 HG -0.02 0.18 0.02 -0.04 1.64 1.78 2zdyA1 LEU 99 HD13 -0.07 -0.03 -0.15 -0.04 0.93 0.63 2zdyA1 LEU 99 HD23 -0.08 -0.03 -0.08 -0.04 0.89 0.66 2zdyA1 VAL 100 H -0.07 0.55 0.06 -0.55 8.24 8.24 2zdyA1 VAL 100 HA -0.61 0.10 0.46 -0.75 4.13 3.33 2zdyA1 VAL 100 HB -0.12 0.02 0.18 -0.04 2.12 2.16 2zdyA1 VAL 100 HG13 -0.23 -0.03 -0.03 -0.04 0.97 0.64 2zdyA1 VAL 100 HG23 -0.42 0.07 0.06 -0.04 0.95 0.62 2zdyA1 GLU 101 H 0.01 0.60 -0.23 -0.55 8.60 8.43 2zdyA1 GLU 101 HA -0.04 -0.03 0.47 -0.75 4.29 3.93 2zdyA1 GLU 101 HB2 -0.06 0.27 0.05 -0.04 2.09 2.32 2zdyA1 GLU 101 HB3 -0.17 -0.10 0.07 -0.04 1.99 1.75 2zdyA1 GLU 101 HG2 -0.04 -0.09 0.05 -0.04 2.34 2.21 2zdyA1 GLU 101 HG3 -0.02 0.14 0.06 -0.04 2.34 2.48 2zdyA1 PHE 102 H 0.28 0.58 -0.65 -0.55 8.34 8.00 2zdyA1 PHE 102 HA 0.13 0.03 0.76 -0.75 4.62 4.78 2zdyA1 PHE 102 HB2 0.07 0.35 0.14 -0.04 3.15 3.67 2zdyA1 PHE 102 HB3 0.06 -0.08 0.07 -0.04 3.06 3.07 2zdyA1 PHE 102 HD2 0.26 0.08 0.07 -0.04 7.28 7.64 2zdyA1 PHE 102 HE2 0.16 0.02 -0.04 -0.04 7.38 7.47 2zdyA1 PHE 102 HZ 0.13 0.01 -0.31 -0.04 7.32 7.11 2zdyA1 HIS 103 H 0.24 0.62 -0.14 -0.55 8.41 8.59 2zdyA1 HIS 103 HA 0.00 0.08 0.32 -0.75 4.63 4.28 2zdyA1 HIS 103 HB2 0.06 0.10 0.16 -0.04 3.26 3.53 2zdyA1 HIS 103 HB3 0.05 -0.07 0.04 -0.04 3.20 3.18 2zdyA1 HIS 103 HD2 0.21 -0.07 0.03 -0.04 6.97 7.09 2zdyA1 HIS 103 HE1 -0.24 0.44 0.06 -0.04 7.75 7.98 2zdyA1 GLU 104 H 0.11 0.10 -0.35 -0.55 8.60 7.91 2zdyA1 GLU 104 HA 0.07 0.10 0.56 -0.75 4.29 4.26 2zdyA1 GLU 104 HB2 0.03 -0.05 -0.01 -0.04 2.09 2.01 2zdyA1 GLU 104 HB3 0.04 -0.02 0.03 -0.04 1.99 2.00 2zdyA1 GLU 104 HG2 0.01 0.14 0.03 -0.04 2.34 2.48 2zdyA1 GLU 104 HG3 0.01 -0.04 -0.02 -0.04 2.34 2.25 2zdyA1 LYS 105 H 0.11 0.09 -0.21 -0.55 8.42 7.86 2zdyA1 LYS 105 HA 0.05 -0.06 0.29 -0.75 4.32 3.84 2zdyA1 LYS 105 HB2 0.30 0.19 0.02 -0.04 1.87 2.35 2zdyA1 LYS 105 HB3 0.09 -0.11 0.06 -0.04 1.79 1.78 2zdyA1 LYS 105 HG2 0.00 0.03 0.09 -0.04 1.46 1.55 2zdyA1 LYS 105 HG3 0.02 0.01 0.05 -0.04 1.46 1.50 2zdyA1 LYS 105 HD2 0.01 -0.09 0.04 -0.04 1.69 1.61 2zdyA1 LYS 105 HD3 0.00 -0.01 -0.02 -0.04 1.68 1.61 2zdyA1 LYS 105 HE2 -0.08 0.06 0.01 -0.04 2.99 2.94 2zdyA1 LYS 105 HE3 -0.08 0.01 -0.01 -0.04 2.99 2.88 2zdyA1 SER 106 H 0.02 0.01 0.18 -0.55 8.46 8.12 2zdyA1 SER 106 HA 0.04 0.31 0.73 -0.75 4.49 4.82 2zdyA1 SER 106 HB2 0.01 0.10 0.09 -0.04 3.95 4.11 2zdyA1 SER 106 HB3 -0.02 -0.10 0.12 -0.04 3.93 3.89 2zdyA1 PRO 107 HA -0.41 0.11 0.33 -0.51 4.44 3.95 2zdyA1 PRO 107 HB2 0.00 -0.05 0.05 -0.04 2.28 2.24 2zdyA1 PRO 107 HB3 0.24 0.12 0.13 -0.04 2.02 2.47 2zdyA1 PRO 107 HG2 0.01 -0.03 0.04 -0.04 2.03 2.01 2zdyA1 PRO 107 HG3 0.05 0.10 0.08 -0.04 2.03 2.21 2zdyA1 PRO 107 HD2 0.02 0.05 0.24 -0.04 3.68 3.95 2zdyA1 PRO 107 HD3 0.10 0.36 0.23 -0.04 3.65 4.29 2zdyA1 ASP 108 H -0.06 0.08 -0.57 -0.55 8.40 7.30 2zdyA1 ASP 108 HA -0.10 0.19 0.84 -0.75 4.63 4.81 2zdyA1 ASP 108 HB2 -0.04 -0.00 0.19 -0.04 2.71 2.81 2zdyA1 ASP 108 HB3 -0.04 0.02 0.01 -0.04 2.70 2.65 2zdyA1 ASP 109 H -0.15 0.72 -0.17 -0.55 8.40 8.26 2zdyA1 ASP 109 HA -0.05 0.15 0.95 -0.75 4.63 4.92 2zdyA1 ASP 109 HB2 -0.04 0.00 0.17 -0.04 2.71 2.80 2zdyA1 ASP 109 HB3 -0.08 0.12 0.28 -0.04 2.70 2.98 2zdyA1 GLN 110 H -0.05 0.27 0.10 -0.55 8.47 8.25 2zdyA1 GLN 110 HA -0.07 0.10 0.18 -0.75 4.36 3.81 2zdyA1 GLN 110 HB2 -0.03 0.06 0.14 -0.04 2.15 2.28 2zdyA1 GLN 110 HB3 -0.02 0.02 0.02 -0.04 2.02 2.00 2zdyA1 GLN 110 HG2 -0.02 0.05 0.02 -0.04 2.40 2.41 2zdyA1 GLN 110 HG3 -0.02 -0.00 0.04 -0.04 2.39 2.36 2zdyA1 GLN 110 HE21 -0.04 0.01 0.01 -0.04 6.97 6.91 2zdyA1 GLN 110 HE22 -0.02 0.04 0.02 -0.04 7.69 7.69 2zdyA1 LYS 111 H -0.02 0.09 -0.16 -0.55 8.42 7.77 2zdyA1 LYS 111 HA 0.01 0.11 0.50 -0.75 4.32 4.19 2zdyA1 LYS 111 HB2 0.00 0.01 0.09 -0.04 1.87 1.93 2zdyA1 LYS 111 HB3 0.00 0.00 0.01 -0.04 1.79 1.76 2zdyA1 LYS 111 HG2 0.01 0.03 -0.00 -0.04 1.46 1.45 2zdyA1 LYS 111 HG3 0.03 0.02 -0.04 -0.04 1.46 1.43 2zdyA1 LYS 111 HD2 0.02 -0.02 0.10 -0.04 1.69 1.75 2zdyA1 LYS 111 HD3 0.01 0.01 0.03 -0.04 1.68 1.69 2zdyA1 LYS 111 HE2 0.02 0.02 0.01 -0.04 2.99 2.99 2zdyA1 LYS 111 HE3 0.03 -0.00 0.03 -0.04 2.99 3.01 2zdyA1 ALA 112 H -0.03 0.20 -0.37 -0.55 8.40 7.65 2zdyA1 ALA 112 HA 0.16 0.09 0.53 -0.75 4.34 4.37 2zdyA1 ALA 112 HB3 -0.03 0.06 0.09 -0.04 1.41 1.49 2zdyA1 LEU 113 H -0.18 0.49 0.02 -0.55 8.37 8.15 2zdyA1 LEU 113 HA -0.29 0.07 0.36 -0.75 4.35 3.73 2zdyA1 LEU 113 HB2 -0.10 0.03 0.10 -0.04 1.64 1.63 2zdyA1 LEU 113 HB3 -0.11 0.02 -0.02 -0.04 1.64 1.49 2zdyA1 LEU 113 HG -0.33 0.05 -0.11 -0.04 1.64 1.20 2zdyA1 LEU 113 HD13 -0.17 0.00 -0.03 -0.04 0.93 0.69 2zdyA1 LEU 113 HD23 -0.65 0.05 -0.02 -0.04 0.89 0.23 2zdyA1 SER 114 H 0.02 0.45 -0.25 -0.55 8.46 8.14 2zdyA1 SER 114 HA 0.08 0.06 0.45 -0.75 4.49 4.33 2zdyA1 SER 114 HB2 0.03 0.02 0.11 -0.04 3.95 4.07 2zdyA1 SER 114 HB3 0.04 0.07 0.17 -0.04 3.93 4.16 2zdyA1 ASP 115 H 0.13 0.48 -0.16 -0.55 8.40 8.31 2zdyA1 ASP 115 HA 0.15 -0.02 0.50 -0.75 4.63 4.50 2zdyA1 ASP 115 HB2 0.35 0.10 0.25 -0.04 2.71 3.36 2zdyA1 ASP 115 HB3 0.37 -0.04 0.03 -0.04 2.70 3.02 2zdyA1 PHE 116 H 0.28 0.59 -0.34 -0.55 8.34 8.31 2zdyA1 PHE 116 HA -0.66 0.03 0.42 -0.75 4.62 3.65 2zdyA1 PHE 116 HB2 -0.11 0.06 0.07 -0.04 3.15 3.13 2zdyA1 PHE 116 HB3 -0.02 0.19 0.17 -0.04 3.06 3.36 2zdyA1 PHE 116 HD2 -0.81 0.03 -0.04 -0.04 7.28 6.42 2zdyA1 PHE 116 HE2 -0.64 0.02 -0.06 -0.04 7.38 6.66 2zdyA1 PHE 116 HZ -0.37 -0.04 -0.15 -0.04 7.32 6.72 2zdyA1 VAL 117 H 0.14 0.51 -0.04 -0.55 8.24 8.30 2zdyA1 VAL 117 HA -0.00 0.02 0.46 -0.75 4.13 3.85 2zdyA1 VAL 117 HB 0.08 0.16 0.20 -0.04 2.12 2.53 2zdyA1 VAL 117 HG13 0.06 -0.05 -0.10 -0.04 0.97 0.84 2zdyA1 VAL 117 HG23 0.23 0.07 -0.04 -0.04 0.95 1.17 2zdyA1 ASP 118 H 0.03 0.51 -0.19 -0.55 8.40 8.20 2zdyA1 ASP 118 HA -0.01 -0.03 0.35 -0.75 4.63 4.18 2zdyA1 ASP 118 HB2 0.06 0.17 0.13 -0.04 2.71 3.03 2zdyA1 ASP 118 HB3 0.02 -0.06 0.05 -0.04 2.70 2.68 2zdyA1 THR 119 H -0.07 0.45 -0.32 -0.55 8.28 7.79 2zdyA1 THR 119 HA -0.03 0.00 0.54 -0.75 4.39 4.16 2zdyA1 THR 119 HB -0.32 0.16 0.16 -0.04 4.32 4.27 2zdyA1 THR 119 HG23 0.00 -0.01 -0.14 -0.04 1.22 1.03 2zdyA1 LEU 120 H -0.36 0.61 -0.06 -0.55 8.37 8.00 2zdyA1 LEU 120 HA -0.27 0.01 0.41 -0.75 4.35 3.74 2zdyA1 LEU 120 HB2 -0.20 0.11 0.18 -0.04 1.64 1.69 2zdyA1 LEU 120 HB3 -0.17 -0.06 0.04 -0.04 1.64 1.40 2zdyA1 LEU 120 HG -1.14 0.27 0.04 -0.04 1.64 0.76 2zdyA1 LEU 120 HD13 -0.30 -0.02 -0.02 -0.04 0.93 0.55 2zdyA1 LEU 120 HD23 -0.53 -0.02 -0.05 -0.04 0.89 0.25 2zdyA1 ILE 121 H -0.10 0.61 -0.11 -0.55 8.25 8.10 2zdyA1 ILE 121 HA -0.06 0.00 0.46 -0.75 4.18 3.82 2zdyA1 ILE 121 HB -0.04 0.12 0.13 -0.04 1.89 2.06 2zdyA1 ILE 121 HG12 -0.02 -0.04 0.02 -0.04 1.49 1.40 2zdyA1 ILE 121 HG13 -0.03 0.18 0.07 -0.04 1.21 1.39 2zdyA1 ILE 121 HG23 -0.04 -0.02 -0.12 -0.04 0.93 0.72 2zdyA1 ILE 121 HD13 -0.01 -0.03 -0.03 -0.04 0.88 0.78 2zdyA1 LYS 122 H -0.08 0.52 -0.23 -0.55 8.42 8.08 2zdyA1 LYS 122 HA -0.07 -0.00 0.47 -0.75 4.32 3.97 2zdyA1 LYS 122 HB2 -0.03 0.02 0.14 -0.04 1.87 1.96 2zdyA1 LYS 122 HB3 -0.06 0.13 0.24 -0.04 1.79 2.07 2zdyA1 LYS 122 HG2 -0.06 -0.01 -0.25 -0.04 1.46 1.10 2zdyA1 LYS 122 HG3 -0.05 -0.05 0.02 -0.04 1.46 1.34 2zdyA1 LYS 122 HD2 -0.00 -0.03 -0.04 -0.04 1.69 1.58 2zdyA1 LYS 122 HD3 -0.00 -0.02 -0.01 -0.04 1.68 1.61 2zdyA1 LYS 122 HE2 0.01 0.03 0.02 -0.04 2.99 3.01 2zdyA1 LYS 122 HE3 -0.00 0.04 0.01 -0.04 2.99 2.99 2zdyA1 VAL 123 H -0.15 0.83 -0.01 -0.55 8.24 8.36 2zdyA1 VAL 123 HA -0.26 -0.01 0.37 -0.75 4.13 3.47 2zdyA1 VAL 123 HB -0.22 0.09 0.14 -0.04 2.12 2.09 2zdyA1 VAL 123 HG13 -0.49 -0.02 -0.14 -0.04 0.97 0.28 2zdyA1 VAL 123 HG23 -0.13 0.02 0.03 -0.04 0.95 0.83 2zdyA1 ARG 124 H -0.15 0.67 -0.20 -0.55 8.46 8.23 2zdyA1 ARG 124 HA -0.11 0.01 0.42 -0.75 4.34 3.90 2zdyA1 ARG 124 HB2 -0.07 0.08 0.08 -0.04 1.90 1.95 2zdyA1 ARG 124 HB3 -0.06 0.06 0.08 -0.04 1.80 1.84 2zdyA1 ARG 124 HG2 0.02 -0.02 -0.11 -0.04 1.67 1.52 2zdyA1 ARG 124 HG3 0.01 -0.04 0.01 -0.04 1.67 1.62 2zdyA1 ARG 124 HD2 0.03 -0.04 -0.05 -0.04 3.22 3.12 2zdyA1 ARG 124 HD3 0.01 -0.01 -0.07 -0.04 3.22 3.10 2zdyA1 ASN 125 H -0.10 0.52 -0.22 -0.55 8.53 8.18 2zdyA1 ASN 125 HA -0.06 0.00 0.49 -0.75 4.76 4.43 2zdyA1 ASN 125 HB2 -0.10 0.19 0.20 -0.04 2.88 3.13 2zdyA1 ASN 125 HB3 -0.10 -0.08 -0.00 -0.04 2.79 2.57 2zdyA1 ASN 125 HD21 -0.06 -0.08 -0.03 -0.04 7.03 6.81 2zdyA1 ASN 125 HD22 -0.06 -0.03 -0.02 -0.04 7.74 7.59 2zdyA1 ARG 126 H -0.18 0.50 -0.17 -0.55 8.46 8.05 2zdyA1 ARG 126 HA -0.35 0.02 0.44 -0.75 4.34 3.70 2zdyA1 ARG 126 HB2 -0.18 0.01 0.08 -0.04 1.90 1.78 2zdyA1 ARG 126 HB3 -0.24 0.11 0.15 -0.04 1.80 1.78 2zdyA1 ARG 126 HG2 -0.09 -0.01 -0.15 -0.04 1.67 1.38 2zdyA1 ARG 126 HG3 -0.84 -0.04 0.05 -0.04 1.67 0.80 2zdyA1 ARG 126 HD2 0.16 -0.03 0.01 -0.04 3.22 3.32 2zdyA1 ARG 126 HD3 -0.05 -0.01 -0.01 -0.04 3.22 3.12 2zdyA1 HIS 127 H -0.12 0.48 -0.28 -0.55 8.41 7.95 2zdyA1 HIS 127 HA -0.12 0.05 0.50 -0.75 4.63 4.32 2zdyA1 HIS 127 HB2 0.00 0.12 0.07 -0.04 3.26 3.42 2zdyA1 HIS 127 HB3 0.09 -0.11 0.12 -0.04 3.20 3.26 2zdyA1 HIS 127 HD2 0.04 -0.05 -0.33 -0.04 6.97 6.59 2zdyA1 HIS 127 HE1 -0.12 -0.01 -0.06 -0.04 7.75 7.51 2zdyA1 HIS 128 H -0.00 0.35 -0.70 -0.55 8.41 7.51 2zdyA1 HIS 128 HA -0.00 0.03 0.30 -0.75 4.63 4.20 2zdyA1 HIS 128 HB2 -0.06 0.07 0.18 -0.04 3.26 3.42 2zdyA1 HIS 128 HB3 -0.09 0.08 0.10 -0.04 3.20 3.24 2zdyA1 HIS 128 HD2 -0.02 -0.01 -0.14 -0.04 6.97 6.75 2zdyA1 HIS 128 HE1 0.01 -0.03 -0.00 -0.04 7.75 7.68 2zdyA1 ASN 129 H -0.12 0.25 -0.34 -0.55 8.53 7.77 2zdyA1 ASN 129 HA -0.06 0.17 0.71 -0.75 4.76 4.82 2zdyA1 ASN 129 HB2 -0.03 0.10 0.02 -0.04 2.88 2.92 2zdyA1 ASN 129 HB3 0.14 -0.07 0.13 -0.04 2.79 2.95 2zdyA1 ASN 129 HD21 0.08 0.00 -0.03 -0.04 7.03 7.04 2zdyA1 ASN 129 HD22 -0.01 0.06 -0.00 -0.04 7.74 7.73 2zdyA1 VAL 130 H 0.06 0.59 -0.40 -0.55 8.24 7.94 2zdyA1 VAL 130 HA 0.40 0.04 0.30 -0.75 4.13 4.12 2zdyA1 VAL 130 HB 0.15 0.09 0.13 -0.04 2.12 2.45 2zdyA1 VAL 130 HG13 0.29 -0.01 -0.17 -0.04 0.97 1.03 2zdyA1 VAL 130 HG23 0.21 -0.01 0.08 -0.04 0.95 1.19 2zdyA1 VAL 131 H 0.09 0.22 -0.12 -0.55 8.24 7.89 2zdyA1 VAL 131 HA 0.39 0.05 0.29 -0.75 4.13 4.10 2zdyA1 VAL 131 HB -0.00 0.08 0.10 -0.04 2.12 2.25 2zdyA1 VAL 131 HG13 -0.09 -0.01 -0.18 -0.04 0.97 0.65 2zdyA1 VAL 131 HG23 0.06 0.01 0.02 -0.04 0.95 1.00 2zdyA1 PRO 132 HA -0.11 0.04 0.54 -0.51 4.44 4.40 2zdyA1 PRO 132 HB2 -0.03 0.04 -0.03 -0.04 2.28 2.22 2zdyA1 PRO 132 HB3 -0.10 0.02 0.07 -0.04 2.02 1.97 2zdyA1 PRO 132 HG2 0.03 0.17 0.06 -0.04 2.03 2.25 2zdyA1 PRO 132 HG3 -0.04 0.06 0.04 -0.04 2.03 2.06 2zdyA1 PRO 132 HD2 0.02 -0.02 -0.38 -0.04 3.68 3.26 2zdyA1 PRO 132 HD3 -0.04 0.12 0.07 -0.04 3.65 3.76 2zdyA1 THR 133 H 0.12 0.58 -0.22 -0.55 8.28 8.20 2zdyA1 THR 133 HA 0.05 -0.00 0.47 -0.75 4.39 4.15 2zdyA1 THR 133 HB 0.24 0.10 0.12 -0.04 4.32 4.74 2zdyA1 THR 133 HG23 -0.08 -0.03 -0.06 -0.04 1.22 1.01 2zdyA1 MET 134 H 0.13 0.61 -0.16 -0.55 8.47 8.50 2zdyA1 MET 134 HA -0.07 0.01 0.44 -0.75 4.52 4.16 2zdyA1 MET 134 HB2 -0.02 0.01 0.06 -0.04 2.15 2.15 2zdyA1 MET 134 HB3 0.25 0.13 0.14 -0.04 2.03 2.51 2zdyA1 MET 134 HG2 -0.41 -0.02 -0.07 -0.04 2.63 2.09 2zdyA1 MET 134 HG3 -0.01 -0.02 -0.29 -0.04 2.56 2.20 2zdyA1 MET 134 HE3 -0.78 0.01 -0.04 -0.04 2.10 1.25 2zdyA1 ALA 135 H 0.08 0.46 -0.11 -0.55 8.40 8.28 2zdyA1 ALA 135 HA 0.19 0.04 0.44 -0.75 4.34 4.25 2zdyA1 ALA 135 HB3 -0.20 0.02 0.10 -0.04 1.41 1.30 2zdyA1 GLN 136 H -0.00 0.64 -0.13 -0.55 8.47 8.43 2zdyA1 GLN 136 HA 0.03 0.02 0.42 -0.75 4.36 4.08 2zdyA1 GLN 136 HB2 0.00 0.08 0.14 -0.04 2.15 2.33 2zdyA1 GLN 136 HB3 0.01 0.10 0.14 -0.04 2.02 2.22 2zdyA1 GLN 136 HG2 0.02 -0.01 0.00 -0.04 2.40 2.37 2zdyA1 GLN 136 HG3 0.01 -0.06 -0.14 -0.04 2.39 2.17 2zdyA1 GLN 136 HE21 0.05 0.04 0.02 -0.04 6.97 7.04 2zdyA1 GLN 136 HE22 0.03 -0.02 0.02 -0.04 7.69 7.67 2zdyA1 GLY 137 H -0.00 0.42 -0.35 -0.55 8.43 7.95 2zdyA1 GLY 137 HA2 -0.01 -0.07 0.44 -0.51 4.01 3.85 2zdyA1 GLY 137 HA3 -0.04 0.04 0.29 -0.51 4.01 3.78 2zdyA1 ILE 138 H 0.07 0.37 -0.41 -0.55 8.25 7.72 2zdyA1 ILE 138 HA 0.16 0.02 0.46 -0.75 4.18 4.06 2zdyA1 ILE 138 HB 0.18 0.19 0.15 -0.04 1.89 2.37 2zdyA1 ILE 138 HG12 0.08 0.26 0.09 -0.04 1.49 1.88 2zdyA1 ILE 138 HG13 0.19 -0.07 -0.01 -0.04 1.21 1.28 2zdyA1 ILE 138 HG23 0.20 -0.02 -0.11 -0.04 0.93 0.96 2zdyA1 ILE 138 HD13 0.07 -0.02 -0.04 -0.04 0.88 0.84 2zdyA1 ILE 139 H 0.10 0.41 -0.05 -0.55 8.25 8.16 2zdyA1 ILE 139 HA 0.10 0.01 0.46 -0.75 4.18 4.00 2zdyA1 ILE 139 HB 0.07 0.16 0.26 -0.04 1.89 2.33 2zdyA1 ILE 139 HG12 0.14 -0.01 0.05 -0.04 1.49 1.63 2zdyA1 ILE 139 HG13 0.12 0.13 0.06 -0.04 1.21 1.48 2zdyA1 ILE 139 HG23 0.07 -0.01 -0.10 -0.04 0.93 0.85 2zdyA1 ILE 139 HD13 0.16 -0.02 -0.00 -0.04 0.88 0.97 2zdyA1 GLU 140 H 0.06 0.48 -0.02 -0.55 8.60 8.57 2zdyA1 GLU 140 HA 0.04 0.01 0.39 -0.75 4.29 3.98 2zdyA1 GLU 140 HB2 0.04 0.06 0.16 -0.04 2.09 2.31 2zdyA1 GLU 140 HB3 0.03 -0.02 0.06 -0.04 1.99 2.02 2zdyA1 GLU 140 HG2 0.02 -0.02 0.06 -0.04 2.34 2.36 2zdyA1 GLU 140 HG3 0.03 0.15 0.11 -0.04 2.34 2.59 2zdyA1 TYR 141 H 0.17 0.41 -0.28 -0.55 8.29 8.04 2zdyA1 TYR 141 HA -0.01 -0.01 0.23 -0.75 4.56 4.01 2zdyA1 TYR 141 HB2 -0.02 0.03 0.17 -0.04 3.06 3.19 2zdyA1 TYR 141 HB3 0.01 0.11 0.09 -0.04 2.98 3.14 2zdyA1 TYR 141 HD2 -0.01 0.07 -0.10 -0.04 7.15 7.08 2zdyA1 TYR 141 HE2 -0.01 -0.09 -0.11 -0.04 6.85 6.60 2zdyA1 LYS 142 H 0.05 0.32 -0.80 -0.55 8.42 7.43 2zdyA1 LYS 142 HA -0.18 0.02 0.70 -0.75 4.32 4.11 2zdyA1 LYS 142 HB2 -0.01 -0.10 0.03 -0.04 1.87 1.76 2zdyA1 LYS 142 HB3 0.02 0.17 0.21 -0.04 1.79 2.16 2zdyA1 LYS 142 HG2 -0.01 -0.04 0.15 -0.04 1.46 1.52 2zdyA1 LYS 142 HG3 -0.05 0.12 0.23 -0.04 1.46 1.72 2zdyA1 LYS 142 HD2 0.00 -0.06 0.12 -0.04 1.69 1.71 2zdyA1 LYS 142 HD3 0.01 -0.11 0.08 -0.04 1.68 1.62 2zdyA1 LYS 142 HE2 0.06 0.06 0.05 -0.04 2.99 3.12 2zdyA1 LYS 142 HE3 0.03 -0.00 0.08 -0.04 2.99 3.06 2zdyA1 THR 146 HA -0.07 -0.12 0.26 -0.75 4.39 3.70 2zdyA1 THR 146 HB -0.04 -0.01 0.22 -0.04 4.32 4.44 2zdyA1 THR 146 HG23 -0.11 0.03 -0.03 -0.04 1.22 1.07 2zdyA1 VAL 147 H -0.18 0.28 0.41 -0.55 8.24 8.20 2zdyA1 VAL 147 HA -0.13 0.04 0.65 -0.75 4.13 3.94 2zdyA1 VAL 147 HB -0.57 0.14 -0.28 -0.04 2.12 1.37 2zdyA1 VAL 147 HG13 -0.67 0.05 -0.31 -0.04 0.97 0.01 2zdyA1 VAL 147 HG23 -0.07 -0.14 0.08 -0.04 0.95 0.79 2zdyA1 ASP 148 H -0.05 0.15 0.11 -0.55 8.40 8.06 2zdyA1 ASP 148 HA -0.01 0.26 0.77 -0.75 4.63 4.90 2zdyA1 ASP 148 HB2 -0.00 0.12 -0.00 -0.04 2.71 2.78 2zdyA1 ASP 148 HB3 0.01 -0.05 0.16 -0.04 2.70 2.78 2zdyA1 PRO 149 HA 0.12 0.03 0.34 -0.51 4.44 4.42 2zdyA1 PRO 149 HB2 0.16 0.13 -0.06 -0.04 2.28 2.47 2zdyA1 PRO 149 HB3 0.15 0.05 0.02 -0.04 2.02 2.20 2zdyA1 PRO 149 HG2 0.11 0.04 0.09 -0.04 2.03 2.23 2zdyA1 PRO 149 HG3 0.11 0.13 0.02 -0.04 2.03 2.24 2zdyA1 PRO 149 HD2 0.04 0.11 0.19 -0.04 3.68 3.99 2zdyA1 PRO 149 HD3 0.02 0.25 0.03 -0.04 3.65 3.90 2zdyA1 VAL 150 H 0.10 0.15 -0.06 -0.55 8.24 7.89 2zdyA1 VAL 150 HA 0.14 0.14 0.24 -0.75 4.13 3.91 2zdyA1 VAL 150 HB 0.13 -0.07 -0.00 -0.04 2.12 2.13 2zdyA1 VAL 150 HG13 0.21 0.01 -0.05 -0.04 0.97 1.09 2zdyA1 VAL 150 HG23 0.17 0.03 -0.06 -0.04 0.95 1.05 2zdyA1 THR 151 H 0.08 0.07 -0.54 -0.55 8.28 7.34 2zdyA1 THR 151 HA 0.06 0.15 0.60 -0.75 4.39 4.44 2zdyA1 THR 151 HB 0.04 -0.03 0.02 -0.04 4.32 4.31 2zdyA1 THR 151 HG23 0.05 -0.01 -0.07 -0.04 1.22 1.15 2zdyA1 ASN 152 H 0.08 0.33 0.06 -0.55 8.53 8.44 2zdyA1 ASN 152 HA 0.06 -0.01 0.54 -0.75 4.76 4.60 2zdyA1 ASN 152 HB2 0.08 0.09 0.18 -0.04 2.88 3.19 2zdyA1 ASN 152 HB3 0.12 0.07 0.27 -0.04 2.79 3.21 2zdyA1 ASN 152 HD21 0.14 0.03 0.04 -0.04 7.03 7.20 2zdyA1 ASN 152 HD22 0.17 0.07 0.03 -0.04 7.74 7.97 2zdyA1 GLN 153 H 0.06 0.18 0.34 -0.55 8.47 8.50 2zdyA1 GLN 153 HA 0.09 0.13 0.29 -0.75 4.36 4.12 2zdyA1 GLN 153 HB2 0.03 -0.01 0.15 -0.04 2.15 2.28 2zdyA1 GLN 153 HB3 0.05 -0.00 0.14 -0.04 2.02 2.16 2zdyA1 GLN 153 HG2 0.04 -0.00 0.06 -0.04 2.40 2.46 2zdyA1 GLN 153 HG3 0.04 0.39 0.22 -0.04 2.39 3.01 2zdyA1 GLN 153 HE21 -0.00 -0.02 0.04 -0.04 6.97 6.95 2zdyA1 GLN 153 HE22 0.02 -0.01 0.05 -0.04 7.69 7.70 2zdyA1 ASN 154 H 0.08 0.06 -0.08 -0.55 8.53 8.05 2zdyA1 ASN 154 HA 0.05 0.19 0.72 -0.75 4.76 4.96 2zdyA1 ASN 154 HB2 0.11 -0.06 0.12 -0.04 2.88 3.01 2zdyA1 ASN 154 HB3 0.24 0.07 -0.02 -0.04 2.79 3.04 2zdyA1 ASN 154 HD21 -0.06 0.18 0.10 -0.04 7.03 7.20 2zdyA1 ASN 154 HD22 -0.01 -0.20 -0.13 -0.04 7.74 7.36 2zdyA1 LEU 155 H 0.14 0.11 -0.18 -0.55 8.37 7.89 2zdyA1 LEU 155 HA 0.19 0.08 0.48 -0.75 4.35 4.34 2zdyA1 LEU 155 HB2 0.15 -0.05 0.11 -0.04 1.64 1.81 2zdyA1 LEU 155 HB3 0.15 0.28 0.16 -0.04 1.64 2.19 2zdyA1 LEU 155 HG 0.14 0.01 -0.15 -0.04 1.64 1.61 2zdyA1 LEU 155 HD13 0.08 -0.01 0.04 -0.04 0.93 0.99 2zdyA1 LEU 155 HD23 0.23 0.00 -0.00 -0.04 0.89 1.08 2zdyA1 GLN 156 H 0.16 0.41 -0.11 -0.55 8.47 8.38 2zdyA1 GLN 156 HA 0.24 0.02 0.47 -0.75 4.36 4.34 2zdyA1 GLN 156 HB2 0.15 0.06 0.09 -0.04 2.15 2.42 2zdyA1 GLN 156 HB3 0.18 -0.01 0.01 -0.04 2.02 2.16 2zdyA1 GLN 156 HG2 0.15 0.29 0.04 -0.04 2.40 2.84 2zdyA1 GLN 156 HG3 0.12 0.05 -0.05 -0.04 2.39 2.47 2zdyA1 GLN 156 HE21 0.22 0.06 -0.07 -0.04 6.97 7.13 2zdyA1 GLN 156 HE22 0.17 0.44 -0.12 -0.04 7.69 8.14 2zdyA1 TYR 157 H 0.23 0.36 -0.30 -0.55 8.29 8.02 2zdyA1 TYR 157 HA -0.01 0.01 0.38 -0.75 4.56 4.19 2zdyA1 TYR 157 HB2 -0.05 0.08 0.17 -0.04 3.06 3.22 2zdyA1 TYR 157 HB3 -0.09 0.09 0.19 -0.04 2.98 3.14 2zdyA1 TYR 157 HD2 -0.44 0.02 -0.06 -0.04 7.15 6.63 2zdyA1 TYR 157 HE2 -0.56 0.01 -0.02 -0.04 6.85 6.24 2zdyA1 PHE 158 H 0.33 0.52 -0.26 -0.55 8.34 8.38 2zdyA1 PHE 158 HA 0.03 0.03 0.41 -0.75 4.62 4.33 2zdyA1 PHE 158 HB2 0.36 0.05 0.07 -0.04 3.15 3.59 2zdyA1 PHE 158 HB3 0.08 0.09 0.16 -0.04 3.06 3.35 2zdyA1 PHE 158 HD2 -0.01 0.04 -0.11 -0.04 7.28 7.16 2zdyA1 PHE 158 HE2 -0.27 -0.01 -0.14 -0.04 7.38 6.92 2zdyA1 PHE 158 HZ -0.44 -0.00 -0.06 -0.04 7.32 6.78 2zdyA1 LEU 159 H 0.03 0.54 -0.21 -0.55 8.37 8.19 2zdyA1 LEU 159 HA -0.57 -0.02 0.36 -0.75 4.35 3.37 2zdyA1 LEU 159 HB2 -0.16 0.26 0.26 -0.04 1.64 1.95 2zdyA1 LEU 159 HB3 -1.05 -0.03 0.02 -0.04 1.64 0.54 2zdyA1 LEU 159 HG -0.53 -0.07 0.00 -0.04 1.64 1.00 2zdyA1 LEU 159 HD13 -0.16 -0.01 -0.03 -0.04 0.93 0.69 2zdyA1 LEU 159 HD23 -0.08 0.01 -0.07 -0.04 0.89 0.71 2zdyA1 ASP 160 H -0.01 0.62 -0.09 -0.55 8.40 8.38 2zdyA1 ASP 160 HA 0.15 -0.01 0.43 -0.75 4.63 4.45 2zdyA1 ASP 160 HB2 -0.07 0.17 0.12 -0.04 2.71 2.89 2zdyA1 ASP 160 HB3 -0.04 -0.03 -0.04 -0.04 2.70 2.55 2zdyA1 ARG 161 H -0.28 0.34 -0.45 -0.55 8.46 7.52 2zdyA1 ARG 161 HA -0.17 0.06 0.41 -0.75 4.34 3.89 2zdyA1 ARG 161 HB2 -0.27 0.11 0.16 -0.04 1.90 1.85 2zdyA1 ARG 161 HB3 -0.15 -0.07 0.02 -0.04 1.80 1.56 2zdyA1 ARG 161 HG2 -0.30 -0.07 -0.01 -0.04 1.67 1.25 2zdyA1 ARG 161 HG3 -0.45 0.10 0.05 -0.04 1.67 1.33 2zdyA1 ARG 161 HD2 -1.62 -0.05 -0.03 -0.04 3.22 1.48 2zdyA1 ARG 161 HD3 -0.76 0.04 -0.10 -0.04 3.22 2.35 2zdyA1 PHE 162 H -0.49 0.78 0.09 -0.55 8.34 8.17 2zdyA1 PHE 162 HA -0.35 0.03 0.46 -0.75 4.62 4.01 2zdyA1 PHE 162 HB2 -1.51 0.07 0.09 -0.04 3.15 1.75 2zdyA1 PHE 162 HB3 -0.98 0.03 0.17 -0.04 3.06 2.23 2zdyA1 PHE 162 HD2 -0.61 0.02 -0.07 -0.04 7.28 6.58 2zdyA1 PHE 162 HE2 -0.05 -0.00 -0.11 -0.04 7.38 7.19 2zdyA1 PHE 162 HZ -0.20 -0.02 -0.07 -0.04 7.32 6.99 2zdyA1 TYR 163 H -0.27 0.65 -0.07 -0.55 8.29 8.05 2zdyA1 TYR 163 HA -0.27 -0.01 0.37 -0.75 4.56 3.89 2zdyA1 TYR 163 HB2 -0.08 0.17 0.11 -0.04 3.06 3.22 2zdyA1 TYR 163 HB3 -0.12 -0.07 0.01 -0.04 2.98 2.76 2zdyA1 TYR 163 HD2 -0.11 0.01 -0.04 -0.04 7.15 6.96 2zdyA1 TYR 163 HE2 -0.09 -0.02 -0.02 -0.04 6.85 6.68 2zdyA1 MET 164 H -0.10 0.47 -0.24 -0.55 8.47 8.05 2zdyA1 MET 164 HA -0.23 -0.03 0.48 -0.75 4.52 3.99 2zdyA1 MET 164 HB2 -0.09 0.13 0.22 -0.04 2.15 2.37 2zdyA1 MET 164 HB3 -0.11 0.05 0.20 -0.04 2.03 2.13 2zdyA1 MET 164 HG2 -0.02 0.06 0.07 -0.04 2.63 2.70 2zdyA1 MET 164 HG3 -0.06 -0.06 0.02 -0.04 2.56 2.42 2zdyA1 MET 164 HE3 0.03 0.02 -0.01 -0.04 2.10 2.10 2zdyA1 ASN 165 H -0.20 0.54 -0.23 -0.55 8.53 8.10 2zdyA1 ASN 165 HA -0.13 0.01 0.45 -0.75 4.76 4.34 2zdyA1 ASN 165 HB2 -0.12 0.04 0.18 -0.04 2.88 2.94 2zdyA1 ASN 165 HB3 -0.26 0.17 0.25 -0.04 2.79 2.91 2zdyA1 ASN 165 HD21 -0.09 0.13 0.01 -0.04 7.03 7.04 2zdyA1 ASN 165 HD22 -0.06 0.01 0.09 -0.04 7.74 7.74 2zdyA1 ARG 166 H -0.33 0.49 -0.14 -0.55 8.46 7.94 2zdyA1 ARG 166 HA -0.19 0.01 0.53 -0.75 4.34 3.94 2zdyA1 ARG 166 HB2 -0.32 0.03 0.09 -0.04 1.90 1.65 2zdyA1 ARG 166 HB3 -0.16 0.11 0.17 -0.04 1.80 1.88 2zdyA1 ARG 166 HG2 -0.06 -0.04 -0.34 -0.04 1.67 1.20 2zdyA1 ARG 166 HG3 -0.02 -0.02 0.02 -0.04 1.67 1.61 2zdyA1 ARG 166 HD2 0.06 -0.05 -0.02 -0.04 3.22 3.17 2zdyA1 ARG 166 HD3 0.04 0.01 -0.02 -0.04 3.22 3.21 2zdyA1 ILE 167 H -0.23 0.77 0.02 -0.55 8.25 8.26 2zdyA1 ILE 167 HA -0.18 -0.05 0.45 -0.75 4.18 3.65 2zdyA1 ILE 167 HB -0.50 0.20 0.20 -0.04 1.89 1.76 2zdyA1 ILE 167 HG12 -0.41 -0.10 0.05 -0.04 1.49 0.98 2zdyA1 ILE 167 HG13 -0.34 0.21 0.10 -0.04 1.21 1.15 2zdyA1 ILE 167 HG23 -0.71 -0.03 -0.12 -0.04 0.93 0.03 2zdyA1 ILE 167 HD13 -0.88 -0.02 -0.08 -0.04 0.88 -0.15 2zdyA1 SER 168 H -0.27 0.51 -0.38 -0.55 8.46 7.78 2zdyA1 SER 168 HA -0.18 -0.01 0.37 -0.75 4.49 3.92 2zdyA1 SER 168 HB2 0.16 -0.08 0.05 -0.04 3.95 4.03 2zdyA1 SER 168 HB3 -0.12 0.20 0.11 -0.04 3.93 4.07 2zdyA1 THR 169 H -0.10 0.53 -0.01 -0.55 8.28 8.15 2zdyA1 THR 169 HA 0.00 0.05 0.64 -0.75 4.39 4.33 2zdyA1 THR 169 HB -0.05 -0.06 0.04 -0.04 4.32 4.21 2zdyA1 THR 169 HG23 -0.11 0.07 0.03 -0.04 1.22 1.16 2zdyA1 ARG 170 H -0.03 0.68 -0.01 -0.55 8.46 8.55 2zdyA1 ARG 170 HA 0.03 0.01 0.53 -0.75 4.34 4.16 2zdyA1 ARG 170 HB2 0.02 0.03 0.09 -0.04 1.90 2.01 2zdyA1 ARG 170 HB3 0.01 0.13 0.12 -0.04 1.80 2.02 2zdyA1 ARG 170 HG2 0.08 -0.03 -0.21 -0.04 1.67 1.47 2zdyA1 ARG 170 HG3 0.05 -0.06 0.01 -0.04 1.67 1.64 2zdyA1 ARG 170 HD2 0.05 0.04 -0.03 -0.04 3.22 3.24 2zdyA1 ARG 170 HD3 0.05 0.00 -0.04 -0.04 3.22 3.20 2zdyA1 MET 171 H 0.04 0.53 -0.24 -0.55 8.47 8.24 2zdyA1 MET 171 HA 0.13 -0.05 0.34 -0.75 4.52 4.19 2zdyA1 MET 171 HB2 0.21 0.01 0.11 -0.04 2.15 2.43 2zdyA1 MET 171 HB3 0.15 0.15 0.18 -0.04 2.03 2.48 2zdyA1 MET 171 HG2 0.38 0.02 -0.07 -0.04 2.63 2.92 2zdyA1 MET 171 HG3 0.21 -0.00 -0.39 -0.04 2.56 2.34 2zdyA1 MET 171 HE3 0.11 -0.00 0.00 -0.04 2.10 2.17 2zdyA1 LEU 172 H 0.11 0.49 -0.21 -0.55 8.37 8.22 2zdyA1 LEU 172 HA 0.24 0.01 0.42 -0.75 4.35 4.27 2zdyA1 LEU 172 HB2 0.11 0.17 0.24 -0.04 1.64 2.12 2zdyA1 LEU 172 HB3 0.15 -0.03 -0.02 -0.04 1.64 1.70 2zdyA1 LEU 172 HG 0.32 -0.05 0.04 -0.04 1.64 1.92 2zdyA1 LEU 172 HD13 0.23 0.03 0.00 -0.04 0.93 1.15 2zdyA1 LEU 172 HD23 0.19 0.01 -0.02 -0.04 0.89 1.03 2zdyA1 MET 173 H 0.07 0.61 -0.11 -0.55 8.47 8.49 2zdyA1 MET 173 HA 0.08 0.02 0.49 -0.75 4.52 4.35 2zdyA1 MET 173 HB2 0.01 0.11 0.17 -0.04 2.15 2.40 2zdyA1 MET 173 HB3 -0.03 -0.06 -0.02 -0.04 2.03 1.88 2zdyA1 MET 173 HG2 -0.10 -0.05 0.02 -0.04 2.63 2.46 2zdyA1 MET 173 HG3 -0.02 0.07 0.06 -0.04 2.56 2.63 2zdyA1 MET 173 HE3 -0.00 -0.01 -0.22 -0.04 2.10 1.82 2zdyA1 ASN 174 H 0.08 0.79 -0.05 -0.55 8.53 8.80 2zdyA1 ASN 174 HA 0.06 -0.01 0.42 -0.75 4.76 4.47 2zdyA1 ASN 174 HB2 0.08 0.17 0.12 -0.04 2.88 3.20 2zdyA1 ASN 174 HB3 0.06 -0.09 -0.07 -0.04 2.79 2.65 2zdyA1 ASN 174 HD21 0.06 -0.03 -0.05 -0.04 7.03 6.97 2zdyA1 ASN 174 HD22 0.08 -0.02 -0.13 -0.04 7.74 7.63 2zdyA1 GLN 175 H 0.15 0.49 -0.34 -0.55 8.47 8.22 2zdyA1 GLN 175 HA 0.07 -0.10 0.37 -0.75 4.36 3.95 2zdyA1 GLN 175 HB2 0.16 0.16 0.17 -0.04 2.15 2.60 2zdyA1 GLN 175 HB3 0.42 0.11 0.11 -0.04 2.02 2.61 2zdyA1 GLN 175 HG2 -0.15 -0.02 -0.01 -0.04 2.40 2.18 2zdyA1 GLN 175 HG3 0.04 0.05 -0.09 -0.04 2.39 2.35 2zdyA1 GLN 175 HE21 -0.16 0.32 0.07 -0.04 6.97 7.17 2zdyA1 GLN 175 HE22 -0.33 0.20 -0.14 -0.04 7.69 7.39 2zdyA1 HIS 176 H 0.33 0.39 -0.17 -0.55 8.41 8.41 2zdyA1 HIS 176 HA 0.40 0.07 0.39 -0.75 4.63 4.74 2zdyA1 HIS 176 HB2 0.22 0.05 0.12 -0.04 3.26 3.61 2zdyA1 HIS 176 HB3 0.14 0.06 0.13 -0.04 3.20 3.49 2zdyA1 HIS 176 HD2 0.15 -0.03 -0.22 -0.04 6.97 6.83 2zdyA1 HIS 176 HE1 -0.16 0.02 0.01 -0.04 7.75 7.57 2zdyA1 ILE 177 H 0.17 0.66 -0.06 -0.55 8.25 8.48 2zdyA1 ILE 177 HA 0.12 -0.04 0.46 -0.75 4.18 3.96 2zdyA1 ILE 177 HB 0.05 0.05 0.14 -0.04 1.89 2.09 2zdyA1 ILE 177 HG12 0.03 -0.05 0.03 -0.04 1.49 1.46 2zdyA1 ILE 177 HG13 0.07 0.16 0.06 -0.04 1.21 1.45 2zdyA1 ILE 177 HG23 0.02 -0.01 -0.11 -0.04 0.93 0.78 2zdyA1 ILE 177 HD13 -0.02 -0.04 -0.30 -0.04 0.88 0.47 2zdyA1 LEU 178 H 0.04 0.69 -0.09 -0.55 8.37 8.46 2zdyA1 LEU 178 HA -0.01 0.29 0.29 -0.75 4.35 4.16 2zdyA1 LEU 178 HB2 -0.01 -0.01 -0.00 -0.04 1.64 1.58 2zdyA1 LEU 178 HB3 -0.02 0.05 -0.14 -0.04 1.64 1.49 2zdyA1 LEU 178 HG 0.03 0.11 0.01 -0.04 1.64 1.74 2zdyA1 LEU 178 HD13 0.03 -0.04 -0.29 -0.04 0.93 0.58 2zdyA1 LEU 178 HD23 0.00 -0.02 -0.21 -0.04 0.89 0.62 2zdyA1 ILE 179 H -0.12 0.20 -0.46 -0.55 8.25 7.32 2zdyA1 ILE 179 HA -0.24 0.19 0.98 -0.75 4.18 4.35 2zdyA1 ILE 179 HB -0.62 0.07 0.14 -0.04 1.89 1.44 2zdyA1 ILE 179 HG12 -0.19 -0.03 0.02 -0.04 1.49 1.25 2zdyA1 ILE 179 HG13 -0.12 -0.03 -0.03 -0.04 1.21 1.00 2zdyA1 ILE 179 HG23 -1.02 0.01 -0.00 -0.04 0.93 -0.13 2zdyA1 ILE 179 HD13 -0.06 -0.02 -0.09 -0.04 0.88 0.67 2zdyA1 PHE 180 H -0.12 0.34 0.04 -0.55 8.34 8.05 2zdyA1 PHE 180 HA -0.05 0.22 0.98 -0.75 4.62 5.02 2zdyA1 PHE 180 HB2 -0.37 0.11 0.11 -0.04 3.15 2.96 2zdyA1 PHE 180 HB3 -0.10 -0.14 0.11 -0.04 3.06 2.89 2zdyA1 PHE 180 HD2 -0.56 0.02 0.06 -0.04 7.28 6.75 2zdyA1 PHE 180 HE2 -0.06 -0.03 -0.03 -0.04 7.38 7.21 2zdyA1 PHE 180 HZ 0.05 0.21 -0.10 -0.04 7.32 7.44 2zdyA1 SER 181 H 0.03 0.55 0.14 -0.55 8.46 8.63 2zdyA1 SER 181 HA 0.07 0.03 0.64 -0.75 4.49 4.48 2zdyA1 SER 181 HB2 0.03 -0.20 0.16 -0.04 3.95 3.90 2zdyA1 SER 181 HB3 0.05 0.05 0.22 -0.04 3.93 4.21 2zdyA1 ASP 182 H 0.03 0.05 0.17 -0.55 8.40 8.10 2zdyA1 ASP 182 HA 0.02 0.20 0.51 -0.75 4.63 4.60 2zdyA1 ASP 182 HB2 0.01 -0.07 0.09 -0.04 2.71 2.71 2zdyA1 ASP 182 HB3 0.01 0.02 0.03 -0.04 2.70 2.72 2zdyA1 SER 183 H 0.01 -0.04 -0.02 -0.55 8.46 7.86 2zdyA1 SER 183 HA -0.00 0.19 0.35 -0.75 4.49 4.28 2zdyA1 SER 183 HB2 -0.01 0.03 -0.03 -0.04 3.95 3.90 2zdyA1 SER 183 HB3 -0.00 0.00 0.00 -0.04 3.93 3.89 2zdyA1 GLN 184 H 0.00 0.05 -0.17 -0.55 8.47 7.80 2zdyA1 GLN 184 HA -0.01 0.14 0.93 -0.75 4.36 4.67 2zdyA1 GLN 184 HB2 0.00 0.04 0.05 -0.04 2.15 2.20 2zdyA1 GLN 184 HB3 -0.00 -0.01 -0.04 -0.04 2.02 1.92 2zdyA1 GLN 184 HG2 -0.01 0.08 -0.18 -0.04 2.40 2.25 2zdyA1 GLN 184 HG3 -0.01 -0.10 -0.13 -0.04 2.39 2.11 2zdyA1 GLN 184 HE21 -0.02 0.03 -0.03 -0.04 6.97 6.90 2zdyA1 GLN 184 HE22 -0.02 -0.03 -0.05 -0.04 7.69 7.55 2zdyA1 THR 185 H -0.02 0.15 0.08 -0.55 8.28 7.94 2zdyA1 THR 185 HA -0.03 0.38 0.70 -0.75 4.39 4.68 2zdyA1 THR 185 HB -0.03 0.04 0.06 -0.04 4.32 4.35 2zdyA1 THR 185 HG23 -0.02 0.00 -0.21 -0.04 1.22 0.95 2zdyA1 GLY 186 H -0.02 -0.11 -0.08 -0.55 8.43 7.68 2zdyA1 GLY 186 HA2 -0.02 -0.07 0.26 -0.51 4.01 3.68 2zdyA1 GLY 186 HA3 -0.01 0.09 0.32 -0.51 4.01 3.91 2zdyA1 ASN 187 H -0.05 0.09 0.15 -0.55 8.53 8.16 2zdyA1 ASN 187 HA -0.14 0.10 0.51 -0.75 4.76 4.47 2zdyA1 ASN 187 HB2 -0.29 -0.03 0.12 -0.04 2.88 2.64 2zdyA1 ASN 187 HB3 -0.75 -0.01 0.13 -0.04 2.79 2.12 2zdyA1 ASN 187 HD21 -0.21 -0.00 -0.01 -0.04 7.03 6.77 2zdyA1 ASN 187 HD22 -0.23 -0.01 -0.00 -0.04 7.74 7.46 2zdyA1 PRO 188 HA -0.05 0.26 0.36 -0.51 4.44 4.49 2zdyA1 PRO 188 HB2 -0.05 -0.00 0.02 -0.04 2.28 2.21 2zdyA1 PRO 188 HB3 -0.05 0.07 0.12 -0.04 2.02 2.12 2zdyA1 PRO 188 HG2 -0.07 -0.04 0.08 -0.04 2.03 1.96 2zdyA1 PRO 188 HG3 -0.05 0.03 0.09 -0.04 2.03 2.06 2zdyA1 PRO 188 HD2 -0.12 -0.03 0.24 -0.04 3.68 3.73 2zdyA1 PRO 188 HD3 -0.08 0.30 0.28 -0.04 3.65 4.12 2zdyA1 SER 189 H -0.14 -0.02 -0.28 -0.55 8.46 7.47 2zdyA1 SER 189 HA -0.02 0.16 0.68 -0.75 4.49 4.55 2zdyA1 SER 189 HB2 0.01 -0.03 0.07 -0.04 3.95 3.96 2zdyA1 SER 189 HB3 -0.05 -0.02 0.04 -0.04 3.93 3.86 2zdyA1 HIS 190 H -0.04 0.40 -0.28 -0.55 8.41 7.95 2zdyA1 HIS 190 HA -0.06 0.07 0.75 -0.75 4.63 4.64 2zdyA1 HIS 190 HB2 -0.04 0.18 0.04 -0.04 3.26 3.40 2zdyA1 HIS 190 HB3 -0.05 -0.01 -0.39 -0.04 3.20 2.70 2zdyA1 HIS 190 HD2 -0.04 0.05 -0.41 -0.04 6.97 6.52 2zdyA1 HIS 190 HE1 -0.01 -0.06 -0.04 -0.04 7.75 7.59 2zdyA1 ILE 191 H -0.03 0.61 0.23 -0.55 8.25 8.51 2zdyA1 ILE 191 HA -0.05 0.25 0.91 -0.75 4.18 4.54 2zdyA1 ILE 191 HB -0.11 -0.12 0.24 -0.04 1.89 1.86 2zdyA1 ILE 191 HG12 -0.05 -0.04 -0.02 -0.04 1.49 1.33 2zdyA1 ILE 191 HG13 -0.07 -0.05 0.01 -0.04 1.21 1.05 2zdyA1 ILE 191 HG23 -0.13 0.06 -0.00 -0.04 0.93 0.82 2zdyA1 ILE 191 HD13 -0.05 0.07 -0.08 -0.04 0.88 0.78 2zdyA1 GLY 192 H -0.05 0.35 -0.08 -0.55 8.43 8.11 2zdyA1 GLY 192 HA2 -0.03 0.11 0.19 -0.51 4.01 3.77 2zdyA1 GLY 192 HA3 -0.04 0.03 0.68 -0.51 4.01 4.17 2zdyA1 SER 193 H -0.03 0.17 0.04 -0.55 8.46 8.10 2zdyA1 SER 193 HA 0.04 0.18 0.75 -0.75 4.49 4.70 2zdyA1 SER 193 HB2 -0.02 -0.10 0.13 -0.04 3.95 3.91 2zdyA1 SER 193 HB3 0.02 0.03 -0.03 -0.04 3.93 3.91 2zdyA1 ILE 194 H -0.10 0.48 -0.42 -0.55 8.25 7.65 2zdyA1 ILE 194 HA -0.24 0.10 0.77 -0.75 4.18 4.06 2zdyA1 ILE 194 HB -0.15 0.25 0.13 -0.04 1.89 2.07 2zdyA1 ILE 194 HG12 -0.21 -0.06 -0.19 -0.04 1.49 0.99 2zdyA1 ILE 194 HG13 -0.14 -0.04 -0.09 -0.04 1.21 0.90 2zdyA1 ILE 194 HG23 -0.18 -0.03 -0.32 -0.04 0.93 0.35 2zdyA1 ILE 194 HD13 -0.20 0.01 -0.11 -0.04 0.88 0.54 2zdyA1 ASP 195 H -0.30 0.60 0.34 -0.55 8.40 8.49 2zdyA1 ASP 195 HA -0.19 0.26 0.88 -0.75 4.63 4.84 2zdyA1 ASP 195 HB2 -0.72 0.01 0.05 -0.04 2.71 2.00 2zdyA1 ASP 195 HB3 -0.17 -0.03 0.24 -0.04 2.70 2.70 2zdyA1 PRO 196 HA -0.07 -0.02 0.48 -0.51 4.44 4.32 2zdyA1 PRO 196 HB2 -0.06 0.02 0.00 -0.04 2.28 2.20 2zdyA1 PRO 196 HB3 -0.07 0.03 0.09 -0.04 2.02 2.02 2zdyA1 PRO 196 HG2 -0.05 0.02 0.04 -0.04 2.03 2.00 2zdyA1 PRO 196 HG3 -0.05 0.12 0.06 -0.04 2.03 2.12 2zdyA1 PRO 196 HD2 -0.02 0.18 0.32 -0.04 3.68 4.12 2zdyA1 PRO 196 HD3 -0.07 0.24 0.21 -0.04 3.65 3.98 2zdyA1 ASN 197 H -0.07 0.06 -0.50 -0.55 8.53 7.47 2zdyA1 ASN 197 HA -0.11 0.22 0.74 -0.75 4.76 4.86 2zdyA1 ASN 197 HB2 -0.20 -0.02 0.06 -0.04 2.88 2.68 2zdyA1 ASN 197 HB3 -0.47 -0.01 0.06 -0.04 2.79 2.33 2zdyA1 ASN 197 HD21 -0.07 0.04 -0.09 -0.04 7.03 6.86 2zdyA1 ASN 197 HD22 -0.09 0.01 -0.05 -0.04 7.74 7.57 2zdyA1 CYS 198 H 0.01 0.62 -0.02 -0.55 8.50 8.57 2zdyA1 CYS 198 HA 0.05 -0.05 0.28 -0.75 4.58 4.10 2zdyA1 CYS 198 HB2 0.04 0.11 0.14 -0.04 2.97 3.22 2zdyA1 CYS 198 HB3 0.09 0.02 0.07 -0.04 2.97 3.11 2zdyA1 ASP 199 H 0.13 0.13 0.16 -0.55 8.40 8.27 2zdyA1 ASP 199 HA 0.27 0.28 0.71 -0.75 4.63 5.14 2zdyA1 ASP 199 HB2 0.26 0.17 0.13 -0.04 2.71 3.22 2zdyA1 ASP 199 HB3 0.13 -0.04 0.23 -0.04 2.70 2.97 2zdyA1 VAL 200 H 0.06 0.57 0.19 -0.55 8.24 8.51 2zdyA1 VAL 200 HA 0.06 0.04 0.08 -0.75 4.13 3.55 2zdyA1 VAL 200 HB 0.01 0.01 0.04 -0.04 2.12 2.13 2zdyA1 VAL 200 HG13 0.00 -0.00 -0.20 -0.04 0.97 0.73 2zdyA1 VAL 200 HG23 0.02 0.06 -0.13 -0.04 0.95 0.86 2zdyA1 VAL 201 H 0.01 0.18 -0.10 -0.55 8.24 7.77 2zdyA1 VAL 201 HA 0.04 0.08 0.32 -0.75 4.13 3.82 2zdyA1 VAL 201 HB 0.00 0.01 0.03 -0.04 2.12 2.13 2zdyA1 VAL 201 HG13 0.01 0.02 -0.12 -0.04 0.97 0.84 2zdyA1 VAL 201 HG23 -0.01 0.02 0.01 -0.04 0.95 0.92 2zdyA1 ALA 202 H 0.05 0.17 -0.31 -0.55 8.40 7.77 2zdyA1 ALA 202 HA 0.05 0.07 0.41 -0.75 4.34 4.12 2zdyA1 ALA 202 HB3 0.07 0.05 0.07 -0.04 1.41 1.55 2zdyA1 VAL 203 H 0.09 0.39 -0.25 -0.55 8.24 7.92 2zdyA1 VAL 203 HA 0.16 0.06 0.53 -0.75 4.13 4.13 2zdyA1 VAL 203 HB 0.11 0.13 0.03 -0.04 2.12 2.34 2zdyA1 VAL 203 HG13 0.20 -0.01 -0.13 -0.04 0.97 0.99 2zdyA1 VAL 203 HG23 0.13 0.03 -0.05 -0.04 0.95 1.02 2zdyA1 VAL 204 H 0.10 0.50 -0.10 -0.55 8.24 8.19 2zdyA1 VAL 204 HA 0.25 0.02 0.46 -0.75 4.13 4.11 2zdyA1 VAL 204 HB 0.09 0.14 0.17 -0.04 2.12 2.48 2zdyA1 VAL 204 HG13 0.25 -0.01 -0.19 -0.04 0.97 0.98 2zdyA1 VAL 204 HG23 0.09 0.06 -0.05 -0.04 0.95 1.01 2zdyA1 GLN 205 H 0.08 0.59 -0.09 -0.55 8.47 8.51 2zdyA1 GLN 205 HA 0.01 0.02 0.31 -0.75 4.36 3.94 2zdyA1 GLN 205 HB2 0.05 0.08 0.09 -0.04 2.15 2.32 2zdyA1 GLN 205 HB3 0.01 -0.01 0.02 -0.04 2.02 2.00 2zdyA1 GLN 205 HG2 -0.05 -0.02 0.00 -0.04 2.40 2.29 2zdyA1 GLN 205 HG3 0.01 0.13 0.09 -0.04 2.39 2.58 2zdyA1 GLN 205 HE21 -0.01 -0.01 -0.05 -0.04 6.97 6.86 2zdyA1 GLN 205 HE22 -0.03 0.01 -0.03 -0.04 7.69 7.59 2zdyA1 ASP 206 H 0.12 0.40 -0.33 -0.55 8.40 8.04 2zdyA1 ASP 206 HA 0.12 0.04 0.46 -0.75 4.63 4.49 2zdyA1 ASP 206 HB2 0.13 0.09 0.14 -0.04 2.71 3.03 2zdyA1 ASP 206 HB3 0.24 0.04 0.17 -0.04 2.70 3.10 2zdyA1 ALA 207 H 0.15 0.69 -0.04 -0.55 8.40 8.65 2zdyA1 ALA 207 HA -0.17 -0.01 0.38 -0.75 4.34 3.78 2zdyA1 ALA 207 HB3 0.08 0.01 0.04 -0.04 1.41 1.49 2zdyA1 PHE 208 H 0.18 0.58 -0.31 -0.55 8.34 8.25 2zdyA1 PHE 208 HA -0.52 -0.00 0.31 -0.75 4.62 3.65 2zdyA1 PHE 208 HB2 -0.72 0.04 0.01 -0.04 3.15 2.44 2zdyA1 PHE 208 HB3 -0.23 0.09 0.06 -0.04 3.06 2.94 2zdyA1 PHE 208 HD2 -1.02 0.01 -0.21 -0.04 7.28 6.02 2zdyA1 PHE 208 HE2 -0.16 0.03 -0.10 -0.04 7.38 7.10 2zdyA1 PHE 208 HZ -0.11 0.09 -0.61 -0.04 7.32 6.65 2zdyA1 GLU 209 H 0.15 0.53 -0.19 -0.55 8.60 8.54 2zdyA1 GLU 209 HA 0.12 0.00 0.44 -0.75 4.29 4.09 2zdyA1 GLU 209 HB2 0.10 0.18 0.26 -0.04 2.09 2.59 2zdyA1 GLU 209 HB3 0.08 -0.02 -0.01 -0.04 1.99 2.00 2zdyA1 GLU 209 HG2 0.09 -0.00 0.05 -0.04 2.34 2.43 2zdyA1 GLU 209 HG3 0.06 -0.03 0.02 -0.04 2.34 2.34 2zdyA1 CYS 210 H 0.12 0.51 -0.15 -0.55 8.50 8.43 2zdyA1 CYS 210 HA 0.08 0.01 0.39 -0.75 4.58 4.30 2zdyA1 CYS 210 HB2 0.11 0.14 0.18 -0.04 2.97 3.35 2zdyA1 CYS 210 HB3 -0.16 -0.03 -0.03 -0.04 2.97 2.71 2zdyA1 SER 211 H 0.24 0.59 -0.05 -0.55 8.46 8.70 2zdyA1 SER 211 HA 0.15 0.00 0.44 -0.75 4.49 4.33 2zdyA1 SER 211 HB2 0.03 0.04 0.10 -0.04 3.95 4.09 2zdyA1 SER 211 HB3 -0.28 0.12 0.06 -0.04 3.93 3.79 2zdyA1 ARG 212 H -0.14 0.61 -0.27 -0.55 8.46 8.10 2zdyA1 ARG 212 HA -0.13 -0.01 0.31 -0.75 4.34 3.76 2zdyA1 ARG 212 HB2 -0.16 0.08 0.09 -0.04 1.90 1.87 2zdyA1 ARG 212 HB3 0.00 0.14 0.16 -0.04 1.80 2.06 2zdyA1 ARG 212 HG2 0.02 -0.07 -0.16 -0.04 1.67 1.42 2zdyA1 ARG 212 HG3 0.01 0.06 -0.03 -0.04 1.67 1.68 2zdyA1 ARG 212 HD2 0.08 -0.01 -0.05 -0.04 3.22 3.20 2zdyA1 ARG 212 HD3 0.12 -0.03 -0.02 -0.04 3.22 3.25 2zdyA1 MET 213 H 0.05 0.50 -0.19 -0.55 8.47 8.27 2zdyA1 MET 213 HA 0.04 0.01 0.40 -0.75 4.52 4.23 2zdyA1 MET 213 HB2 0.07 0.12 0.12 -0.04 2.15 2.42 2zdyA1 MET 213 HB3 0.05 -0.06 0.03 -0.04 2.03 2.01 2zdyA1 MET 213 HG2 0.04 -0.05 0.01 -0.04 2.63 2.58 2zdyA1 MET 213 HG3 0.04 0.03 0.03 -0.04 2.56 2.62 2zdyA1 MET 213 HE3 0.03 -0.01 -0.02 -0.04 2.10 2.05 2zdyA1 LEU 214 H 0.11 0.42 -0.20 -0.55 8.37 8.16 2zdyA1 LEU 214 HA 0.13 0.06 0.61 -0.75 4.35 4.40 2zdyA1 LEU 214 HB2 0.21 0.04 0.11 -0.04 1.64 1.96 2zdyA1 LEU 214 HB3 0.11 0.06 0.13 -0.04 1.64 1.90 2zdyA1 LEU 214 HG 0.24 -0.06 -0.11 -0.04 1.64 1.68 2zdyA1 LEU 214 HD13 0.19 -0.00 -0.00 -0.04 0.93 1.08 2zdyA1 LEU 214 HD23 0.12 0.01 -0.10 -0.04 0.89 0.88 2zdyA1 CYS 215 H 0.07 0.68 -0.01 -0.55 8.50 8.69 2zdyA1 CYS 215 HA 0.21 -0.02 0.42 -0.75 4.58 4.43 2zdyA1 CYS 215 HB2 0.02 0.03 0.11 -0.04 2.97 3.09 2zdyA1 CYS 215 HB3 0.04 0.13 0.11 -0.04 2.97 3.21 2zdyA1 ASP 216 H 0.08 0.50 -0.25 -0.55 8.40 8.18 2zdyA1 ASP 216 HA 0.09 -0.10 0.33 -0.75 4.63 4.19 2zdyA1 ASP 216 HB2 0.04 0.13 0.07 -0.04 2.71 2.90 2zdyA1 ASP 216 HB3 0.03 -0.04 -0.03 -0.04 2.70 2.62 2zdyA1 GLN 217 H 0.05 0.36 -0.41 -0.55 8.47 7.92 2zdyA1 GLN 217 HA -0.06 0.04 0.46 -0.75 4.36 4.04 2zdyA1 GLN 217 HB2 -0.07 0.17 0.13 -0.04 2.15 2.35 2zdyA1 GLN 217 HB3 -0.20 -0.06 0.09 -0.04 2.02 1.81 2zdyA1 GLN 217 HG2 -0.03 -0.07 0.04 -0.04 2.40 2.29 2zdyA1 GLN 217 HG3 0.01 0.32 0.16 -0.04 2.39 2.84 2zdyA1 GLN 217 HE21 -0.03 -0.04 0.01 -0.04 6.97 6.86 2zdyA1 GLN 217 HE22 -0.06 -0.01 0.03 -0.04 7.69 7.60 2zdyA1 TYR 218 H 0.09 0.32 -0.26 -0.55 8.29 7.89 2zdyA1 TYR 218 HA -0.22 0.14 0.90 -0.75 4.56 4.63 2zdyA1 TYR 218 HB2 -0.38 0.08 0.14 -0.04 3.06 2.86 2zdyA1 TYR 218 HB3 -0.89 -0.03 0.06 -0.04 2.98 2.08 2zdyA1 TYR 218 HD2 -0.15 0.18 0.03 -0.04 7.15 7.16 2zdyA1 TYR 218 HE2 -0.05 0.02 -0.01 -0.04 6.85 6.76 2zdyA1 TYR 219 H 0.09 0.25 0.03 -0.55 8.29 8.11 2zdyA1 TYR 219 HA 0.04 0.19 0.93 -0.75 4.56 4.97 2zdyA1 TYR 219 HB2 0.03 0.21 0.05 -0.04 3.06 3.32 2zdyA1 TYR 219 HB3 0.02 -0.03 0.05 -0.04 2.98 2.98 2zdyA1 TYR 219 HD2 0.03 0.07 0.01 -0.04 7.15 7.22 2zdyA1 TYR 219 HE2 -0.02 -0.05 -0.02 -0.04 6.85 6.72 2zdyA1 LEU 220 H 0.07 0.48 0.13 -0.55 8.37 8.51 2zdyA1 LEU 220 HA 0.04 0.07 0.43 -0.75 4.35 4.13 2zdyA1 LEU 220 HB2 0.05 0.17 -0.14 -0.04 1.64 1.68 2zdyA1 LEU 220 HB3 0.03 -0.07 0.29 -0.04 1.64 1.85 2zdyA1 LEU 220 HG 0.01 0.02 -0.10 -0.04 1.64 1.53 2zdyA1 LEU 220 HD13 0.01 -0.02 -0.01 -0.04 0.93 0.87 2zdyA1 LEU 220 HD23 0.01 0.02 0.06 -0.04 0.89 0.93 2zdyA1 SER 221 H 0.13 0.18 -0.29 -0.55 8.46 7.93 2zdyA1 SER 221 HA 0.05 -0.02 0.15 -0.75 4.49 3.91 2zdyA1 SER 221 HB2 0.03 -0.09 0.14 -0.04 3.95 3.98 2zdyA1 SER 221 HB3 0.04 0.37 0.15 -0.04 3.93 4.45 2zdyA1 SER 222 H 0.03 0.30 0.11 -0.55 8.46 8.35 2zdyA1 SER 222 HA -0.01 0.13 0.57 -0.75 4.49 4.43 2zdyA1 SER 222 HB2 -0.04 0.01 0.04 -0.04 3.95 3.92 2zdyA1 SER 222 HB3 0.04 0.03 -0.28 -0.04 3.93 3.68 2zdyA1 PRO 223 HA 0.03 0.07 0.34 -0.51 4.44 4.38 2zdyA1 PRO 223 HB2 0.09 -0.06 0.04 -0.04 2.28 2.30 2zdyA1 PRO 223 HB3 0.02 0.20 0.03 -0.04 2.02 2.23 2zdyA1 PRO 223 HG2 0.00 -0.03 -0.01 -0.04 2.03 1.95 2zdyA1 PRO 223 HG3 -0.02 0.06 0.03 -0.04 2.03 2.06 2zdyA1 PRO 223 HD2 -0.05 0.06 0.19 -0.04 3.68 3.83 2zdyA1 PRO 223 HD3 -0.05 0.18 0.12 -0.04 3.65 3.86 2zdyA1 GLU 224 H 0.06 0.13 0.11 -0.55 8.60 8.36 2zdyA1 GLU 224 HA 0.17 0.20 0.85 -0.75 4.29 4.76 2zdyA1 GLU 224 HB2 0.01 -0.01 0.02 -0.04 2.09 2.07 2zdyA1 GLU 224 HB3 -0.02 -0.01 0.12 -0.04 1.99 2.05 2zdyA1 GLU 224 HG2 0.05 0.10 -0.09 -0.04 2.34 2.35 2zdyA1 GLU 224 HG3 0.03 0.02 0.02 -0.04 2.34 2.36 2zdyA1 LEU 225 H -0.28 0.14 0.16 -0.55 8.37 7.85 2zdyA1 LEU 225 HA -0.41 0.26 0.84 -0.75 4.35 4.28 2zdyA1 LEU 225 HB2 -2.91 0.02 -0.01 -0.04 1.64 -1.29 2zdyA1 LEU 225 HB3 -0.76 -0.02 0.12 -0.04 1.64 0.94 2zdyA1 LEU 225 HG -0.74 -0.03 -0.11 -0.04 1.64 0.72 2zdyA1 LEU 225 HD13 -0.24 -0.02 -0.32 -0.04 0.93 0.31 2zdyA1 LEU 225 HD23 -0.26 -0.00 -0.13 -0.04 0.89 0.45 2zdyA1 LYS 226 H -0.11 0.70 0.30 -0.55 8.42 8.76 2zdyA1 LYS 226 HA -0.08 0.12 0.82 -0.75 4.32 4.42 2zdyA1 LYS 226 HB2 -0.04 0.02 -0.06 -0.04 1.87 1.75 2zdyA1 LYS 226 HB3 -0.02 -0.00 0.15 -0.04 1.79 1.88 2zdyA1 LYS 226 HG2 -0.01 -0.04 -0.15 -0.04 1.46 1.21 2zdyA1 LYS 226 HG3 -0.03 0.02 0.01 -0.04 1.46 1.42 2zdyA1 LYS 226 HD2 -0.01 0.01 -0.03 -0.04 1.69 1.62 2zdyA1 LYS 226 HD3 -0.00 0.01 -0.06 -0.04 1.68 1.59 2zdyA1 LYS 226 HE2 0.00 -0.00 -0.04 -0.04 2.99 2.91 2zdyA1 LYS 226 HE3 0.00 -0.03 -0.07 -0.04 2.99 2.86 2zdyA1 LEU 227 H -0.07 0.21 0.09 -0.55 8.37 8.04 2zdyA1 LEU 227 HA -0.02 0.36 1.14 -0.75 4.35 5.08 2zdyA1 LEU 227 HB2 -0.08 -0.05 -0.08 -0.04 1.64 1.39 2zdyA1 LEU 227 HB3 -0.05 -0.02 0.05 -0.04 1.64 1.57 2zdyA1 LEU 227 HG 0.01 0.10 0.01 -0.04 1.64 1.72 2zdyA1 LEU 227 HD13 0.00 -0.03 -0.07 -0.04 0.93 0.79 2zdyA1 LEU 227 HD23 -0.01 -0.02 -0.37 -0.04 0.89 0.45 2zdyA1 THR 228 H -0.00 0.72 0.51 -0.55 8.28 8.96 2zdyA1 THR 228 HA -0.01 0.16 0.86 -0.75 4.39 4.64 2zdyA1 THR 228 HB 0.00 -0.03 0.09 -0.04 4.32 4.34 2zdyA1 THR 228 HG23 -0.00 0.00 -0.00 -0.04 1.22 1.18 2zdyA1 GLN 229 H -0.01 0.28 0.21 -0.55 8.47 8.41 2zdyA1 GLN 229 HA -0.00 0.27 0.90 -0.75 4.36 4.78 2zdyA1 GLN 229 HB2 -0.01 -0.01 0.06 -0.04 2.15 2.14 2zdyA1 GLN 229 HB3 -0.01 -0.00 -0.13 -0.04 2.02 1.83 2zdyA1 GLN 229 HG2 -0.01 -0.01 0.07 -0.04 2.40 2.41 2zdyA1 GLN 229 HG3 -0.01 0.01 -0.15 -0.04 2.39 2.20 2zdyA1 GLN 229 HE21 -0.02 -0.01 -0.05 -0.04 6.97 6.85 2zdyA1 GLN 229 HE22 -0.01 0.03 -0.08 -0.04 7.69 7.58 2zdyA1 VAL 230 H -0.00 0.71 0.36 -0.55 8.24 8.76 2zdyA1 VAL 230 HA -0.00 0.17 0.91 -0.75 4.13 4.45 2zdyA1 VAL 230 HB -0.00 -0.03 0.13 -0.04 2.12 2.18 2zdyA1 VAL 230 HG13 -0.00 -0.01 -0.18 -0.04 0.97 0.74 2zdyA1 VAL 230 HG23 -0.00 0.00 -0.20 -0.04 0.95 0.71 2zdyA1 ASN 231 H 0.01 0.22 0.04 -0.55 8.53 8.25 2zdyA1 ASN 231 HA 0.01 0.02 0.97 -0.75 4.76 5.00 2zdyA1 ASN 231 HB2 0.03 0.07 -0.01 -0.04 2.88 2.93 2zdyA1 ASN 231 HB3 0.04 -0.03 0.06 -0.04 2.79 2.82 2zdyA1 ASN 231 HD21 0.29 -0.01 -0.04 -0.04 7.03 7.23 2zdyA1 ASN 231 HD22 0.07 0.30 -0.30 -0.04 7.74 7.78 2zdyA1 GLY 232 H -0.02 0.57 0.23 -0.55 8.43 8.66 2zdyA1 GLY 232 HA2 -0.03 0.06 0.49 -0.51 4.01 4.02 2zdyA1 GLY 232 HA3 -0.04 0.01 0.34 -0.51 4.01 3.81 2zdyA1 LYS 233 H -0.11 0.14 -0.14 -0.55 8.42 7.76 2zdyA1 LYS 233 HA -0.32 0.04 0.29 -0.75 4.32 3.57 2zdyA1 LYS 233 HB2 -0.22 0.07 -0.16 -0.04 1.87 1.53 2zdyA1 LYS 233 HB3 -0.48 -0.02 -0.03 -0.04 1.79 1.22 2zdyA1 LYS 233 HG2 -1.44 -0.00 -0.08 -0.04 1.46 -0.10 2zdyA1 LYS 233 HG3 -0.41 -0.07 -0.03 -0.04 1.46 0.91 2zdyA1 LYS 233 HD2 -0.11 0.24 0.03 -0.04 1.69 1.81 2zdyA1 LYS 233 HD3 -0.04 -0.02 -0.02 -0.04 1.68 1.56 2zdyA1 LYS 233 HE2 0.10 -0.01 0.01 -0.04 2.99 3.05 2zdyA1 LYS 233 HE3 -0.10 -0.05 0.00 -0.04 2.99 2.81 2zdyA1 PHE 234 H -0.03 -0.01 -0.35 -0.55 8.34 7.40 2zdyA1 PHE 234 HA 0.00 0.22 0.78 -0.75 4.62 4.87 2zdyA1 PHE 234 HB2 -0.00 -0.03 0.13 -0.04 3.15 3.21 2zdyA1 PHE 234 HB3 0.00 0.03 0.08 -0.04 3.06 3.13 2zdyA1 PHE 234 HD2 0.01 0.00 -0.02 -0.04 7.28 7.23 2zdyA1 PHE 234 HE2 0.01 0.01 -0.02 -0.04 7.38 7.34 2zdyA1 PHE 234 HZ 0.01 -0.02 -0.02 -0.04 7.32 7.25 2zdyA1 PRO 235 HA 0.03 0.13 0.38 -0.51 4.44 4.47 2zdyA1 PRO 235 HB2 0.03 -0.01 0.05 -0.04 2.28 2.31 2zdyA1 PRO 235 HB3 0.01 -0.02 0.11 -0.04 2.02 2.07 2zdyA1 PRO 235 HG2 0.01 -0.01 0.06 -0.04 2.03 2.05 2zdyA1 PRO 235 HG3 -0.01 0.09 0.07 -0.04 2.03 2.15 2zdyA1 PRO 235 HD2 0.05 0.07 0.07 -0.04 3.68 3.83 2zdyA1 PRO 235 HD3 -0.03 0.29 -0.36 -0.04 3.65 3.51 2zdyA1 ASP 236 H 0.02 0.06 0.20 -0.55 8.40 8.13 2zdyA1 ASP 236 HA 0.01 -0.04 0.38 -0.75 4.63 4.22 2zdyA1 ASP 236 HB2 0.02 0.31 0.01 -0.04 2.71 3.01 2zdyA1 ASP 236 HB3 0.01 -0.04 0.13 -0.04 2.70 2.77 2zdyA1 GLN 237 H 0.06 0.52 -0.60 -0.55 8.47 7.91 2zdyA1 GLN 237 HA 0.01 0.08 0.68 -0.75 4.36 4.38 2zdyA1 GLN 237 HB2 0.12 0.03 0.12 -0.04 2.15 2.38 2zdyA1 GLN 237 HB3 0.00 -0.03 0.08 -0.04 2.02 2.04 2zdyA1 GLN 237 HG2 0.10 0.25 -0.15 -0.04 2.40 2.56 2zdyA1 GLN 237 HG3 0.05 -0.11 -0.00 -0.04 2.39 2.30 2zdyA1 GLN 237 HE21 0.02 -0.07 -0.07 -0.04 6.97 6.80 2zdyA1 GLN 237 HE22 0.04 0.22 -0.07 -0.04 7.69 7.84 2zdyA1 PRO 238 HA -0.08 0.00 0.48 -0.51 4.44 4.33 2zdyA1 PRO 238 HB2 -0.30 0.01 -0.05 -0.04 2.28 1.89 2zdyA1 PRO 238 HB3 -0.08 0.01 0.10 -0.04 2.02 2.01 2zdyA1 PRO 238 HG2 -0.04 0.03 0.01 -0.04 2.03 1.99 2zdyA1 PRO 238 HG3 0.00 0.04 0.06 -0.04 2.03 2.09 2zdyA1 PRO 238 HD2 -0.01 0.09 0.23 -0.04 3.68 3.95 2zdyA1 PRO 238 HD3 -0.01 0.18 0.21 -0.04 3.65 3.98 2zdyA1 ILE 239 H -0.17 0.03 0.12 -0.55 8.25 7.68 2zdyA1 ILE 239 HA -0.04 0.22 0.65 -0.75 4.18 4.25 2zdyA1 ILE 239 HB -0.06 -0.15 0.12 -0.04 1.89 1.77 2zdyA1 ILE 239 HG12 0.01 0.05 -0.11 -0.04 1.49 1.41 2zdyA1 ILE 239 HG13 -0.03 0.04 -0.10 -0.04 1.21 1.08 2zdyA1 ILE 239 HG23 0.01 0.00 -0.21 -0.04 0.93 0.68 2zdyA1 ILE 239 HD13 -0.01 -0.03 -0.25 -0.04 0.88 0.55 2zdyA1 HIS 240 H 0.05 0.31 0.20 -0.55 8.41 8.44 2zdyA1 HIS 240 HA 0.02 0.42 0.94 -0.75 4.63 5.26 2zdyA1 HIS 240 HB2 -0.01 -0.01 -0.03 -0.04 3.26 3.18 2zdyA1 HIS 240 HB3 0.00 0.00 -0.16 -0.04 3.20 3.00 2zdyA1 HIS 240 HD2 -0.03 0.03 -0.16 -0.04 6.97 6.76 2zdyA1 HIS 240 HE1 0.01 -0.11 -0.07 -0.04 7.75 7.53 2zdyA1 ILE 241 H 0.12 0.33 0.16 -0.55 8.25 8.31 2zdyA1 ILE 241 HA 0.08 0.19 0.43 -0.75 4.18 4.12 2zdyA1 ILE 241 HB 0.05 0.13 0.09 -0.04 1.89 2.12 2zdyA1 ILE 241 HG12 0.03 -0.12 -0.16 -0.04 1.49 1.21 2zdyA1 ILE 241 HG13 0.08 -0.05 -0.51 -0.04 1.21 0.69 2zdyA1 ILE 241 HG23 0.05 -0.01 -0.14 -0.04 0.93 0.78 2zdyA1 ILE 241 HD13 -0.11 0.02 -0.15 -0.04 0.88 0.60 2zdyA1 VAL 242 H 0.03 0.15 0.11 -0.55 8.24 7.97 2zdyA1 VAL 242 HA -0.02 0.20 0.83 -0.75 4.13 4.39 2zdyA1 VAL 242 HB -0.05 -0.08 0.11 -0.04 2.12 2.07 2zdyA1 VAL 242 HG13 -0.13 -0.01 -0.19 -0.04 0.97 0.60 2zdyA1 VAL 242 HG23 -0.04 0.01 0.11 -0.04 0.95 0.99 2zdyA1 TYR 243 H -0.02 0.57 0.24 -0.55 8.29 8.53 2zdyA1 TYR 243 HA -0.16 0.11 0.33 -0.75 4.56 4.09 2zdyA1 TYR 243 HB2 -0.03 0.10 -0.54 -0.04 3.06 2.55 2zdyA1 TYR 243 HB3 -0.03 -0.09 -0.23 -0.04 2.98 2.60 2zdyA1 TYR 243 HD2 -0.02 0.09 -0.06 -0.04 7.15 7.13 2zdyA1 TYR 243 HE2 0.14 -0.00 -0.02 -0.04 6.85 6.93 2zdyA1 VAL 244 H -1.14 0.21 0.09 -0.55 8.24 6.85 2zdyA1 VAL 244 HA -0.26 0.37 1.00 -0.75 4.13 4.48 2zdyA1 VAL 244 HB -0.68 -0.08 0.21 -0.04 2.12 1.53 2zdyA1 VAL 244 HG13 -0.40 0.03 0.02 -0.04 0.97 0.58 2zdyA1 VAL 244 HG23 -0.35 0.03 -0.06 -0.04 0.95 0.52 2zdyA1 PRO 245 HA 0.16 0.03 0.26 -0.51 4.44 4.37 2zdyA1 PRO 245 HB2 0.09 0.05 -0.04 -0.04 2.28 2.34 2zdyA1 PRO 245 HB3 0.07 0.01 0.04 -0.04 2.02 2.10 2zdyA1 PRO 245 HG2 0.02 0.04 0.07 -0.04 2.03 2.12 2zdyA1 PRO 245 HG3 -0.17 0.07 0.04 -0.04 2.03 1.93 2zdyA1 PRO 245 HD2 -0.24 0.43 0.35 -0.04 3.68 4.19 2zdyA1 PRO 245 HD3 -0.22 0.22 0.27 -0.04 3.65 3.87 2zdyA1 SER 246 H 0.02 0.22 -0.17 -0.55 8.46 7.97 2zdyA1 SER 246 HA 0.08 0.08 0.41 -0.75 4.49 4.30 2zdyA1 SER 246 HB2 0.08 0.05 0.02 -0.04 3.95 4.05 2zdyA1 SER 246 HB3 0.05 0.04 0.07 -0.04 3.93 4.05 2zdyA1 HIS 247 H 0.11 0.18 -0.22 -0.55 8.41 7.94 2zdyA1 HIS 247 HA -0.52 0.08 0.44 -0.75 4.63 3.88 2zdyA1 HIS 247 HB2 0.10 0.11 0.13 -0.04 3.26 3.56 2zdyA1 HIS 247 HB3 0.06 0.04 -0.03 -0.04 3.20 3.23 2zdyA1 HIS 247 HD2 0.37 0.08 0.02 -0.04 6.97 7.39 2zdyA1 HIS 247 HE1 0.09 0.03 -0.02 -0.04 7.75 7.81 2zdyA1 LEU 248 H 0.30 0.35 -0.17 -0.55 8.37 8.30 2zdyA1 LEU 248 HA 0.19 0.06 0.30 -0.75 4.35 4.15 2zdyA1 LEU 248 HB2 0.23 0.02 -0.02 -0.04 1.64 1.83 2zdyA1 LEU 248 HB3 0.21 0.05 0.07 -0.04 1.64 1.94 2zdyA1 LEU 248 HG 0.10 -0.00 -0.30 -0.04 1.64 1.39 2zdyA1 LEU 248 HD13 -0.02 -0.01 -0.07 -0.04 0.93 0.80 2zdyA1 LEU 248 HD23 0.03 -0.00 -0.13 -0.04 0.89 0.75 2zdyA1 HIS 249 H 0.24 0.67 -0.12 -0.55 8.41 8.66 2zdyA1 HIS 249 HA 0.12 -0.01 0.36 -0.75 4.63 4.36 2zdyA1 HIS 249 HB2 0.08 0.03 0.10 -0.04 3.26 3.44 2zdyA1 HIS 249 HB3 0.07 0.11 0.14 -0.04 3.20 3.48 2zdyA1 HIS 249 HD2 0.07 -0.01 0.00 -0.04 6.97 6.99 2zdyA1 HIS 249 HE1 -0.30 0.03 -0.06 -0.04 7.75 7.37 2zdyA1 HIS 250 H 0.22 0.57 -0.20 -0.55 8.41 8.47 2zdyA1 HIS 250 HA 0.19 -0.01 0.39 -0.75 4.63 4.45 2zdyA1 HIS 250 HB2 -0.10 0.09 0.14 -0.04 3.26 3.35 2zdyA1 HIS 250 HB3 -0.27 0.11 0.14 -0.04 3.20 3.14 2zdyA1 HIS 250 HD2 0.10 0.01 -0.02 -0.04 6.97 7.02 2zdyA1 HIS 250 HE1 0.19 -0.03 -0.10 -0.04 7.75 7.77 2zdyA1 MET 251 H 0.16 0.54 -0.16 -0.55 8.47 8.47 2zdyA1 MET 251 HA 0.20 -0.02 0.38 -0.75 4.52 4.33 2zdyA1 MET 251 HB2 0.10 0.11 0.15 -0.04 2.15 2.47 2zdyA1 MET 251 HB3 0.08 -0.06 -0.04 -0.04 2.03 1.97 2zdyA1 MET 251 HG2 0.25 0.03 0.11 -0.04 2.63 2.98 2zdyA1 MET 251 HG3 0.19 0.21 0.07 -0.04 2.56 2.99 2zdyA1 MET 251 HE3 0.27 0.02 -0.30 -0.04 2.10 2.05 2zdyA1 LEU 252 H 0.03 0.69 -0.06 -0.55 8.37 8.48 2zdyA1 LEU 252 HA -0.27 -0.01 0.34 -0.75 4.35 3.65 2zdyA1 LEU 252 HB2 0.01 0.09 0.11 -0.04 1.64 1.81 2zdyA1 LEU 252 HB3 0.02 -0.05 -0.02 -0.04 1.64 1.55 2zdyA1 LEU 252 HG -0.02 0.06 -0.02 -0.04 1.64 1.62 2zdyA1 LEU 252 HD13 0.09 -0.03 -0.26 -0.04 0.93 0.69 2zdyA1 LEU 252 HD23 -0.12 -0.02 -0.07 -0.04 0.89 0.64 2zdyA1 PHE 253 H 0.08 0.73 -0.16 -0.55 8.34 8.43 2zdyA1 PHE 253 HA 0.04 0.01 0.32 -0.75 4.62 4.23 2zdyA1 PHE 253 HB2 -0.23 0.03 0.12 -0.04 3.15 3.03 2zdyA1 PHE 253 HB3 -0.13 0.10 0.18 -0.04 3.06 3.17 2zdyA1 PHE 253 HD2 -0.06 0.05 0.02 -0.04 7.28 7.25 2zdyA1 PHE 253 HE2 0.00 -0.01 -0.31 -0.04 7.38 7.02 2zdyA1 PHE 253 HZ 0.03 0.05 -0.08 -0.04 7.32 7.27 2zdyA1 GLU 254 H -0.01 0.62 -0.05 -0.55 8.60 8.61 2zdyA1 GLU 254 HA -0.28 0.02 0.49 -0.75 4.29 3.76 2zdyA1 GLU 254 HB2 0.01 0.13 0.16 -0.04 2.09 2.34 2zdyA1 GLU 254 HB3 -0.04 -0.13 -0.01 -0.04 1.99 1.78 2zdyA1 GLU 254 HG2 -0.14 0.22 0.13 -0.04 2.34 2.51 2zdyA1 GLU 254 HG3 0.10 -0.00 0.07 -0.04 2.34 2.47 2zdyA1 LEU 255 H -0.13 0.57 -0.13 -0.55 8.37 8.13 2zdyA1 LEU 255 HA -0.12 -0.01 0.47 -0.75 4.35 3.93 2zdyA1 LEU 255 HB2 -0.35 0.09 0.08 -0.04 1.64 1.42 2zdyA1 LEU 255 HB3 -0.20 -0.07 -0.00 -0.04 1.64 1.33 2zdyA1 LEU 255 HG -0.08 0.28 0.05 -0.04 1.64 1.85 2zdyA1 LEU 255 HD13 -0.10 -0.03 -0.15 -0.04 0.93 0.61 2zdyA1 LEU 255 HD23 -0.06 -0.03 -0.09 -0.04 0.89 0.67 2zdyA1 PHE 256 H -0.20 0.71 -0.13 -0.55 8.34 8.17 2zdyA1 PHE 256 HA -0.08 -0.02 0.47 -0.75 4.62 4.24 2zdyA1 PHE 256 HB2 -0.13 0.15 0.10 -0.04 3.15 3.23 2zdyA1 PHE 256 HB3 -0.26 -0.04 -0.04 -0.04 3.06 2.69 2zdyA1 PHE 256 HD2 0.05 -0.03 -0.25 -0.04 7.28 7.02 2zdyA1 PHE 256 HE2 0.16 -0.00 -0.10 -0.04 7.38 7.40 2zdyA1 PHE 256 HZ 0.14 -0.06 -0.11 -0.04 7.32 7.25 2zdyA1 LYS 257 H -0.22 0.63 -0.06 -0.55 8.42 8.21 2zdyA1 LYS 257 HA -0.15 0.02 0.50 -0.75 4.32 3.93 2zdyA1 LYS 257 HB2 -0.32 0.11 0.23 -0.04 1.87 1.85 2zdyA1 LYS 257 HB3 -0.21 0.02 0.06 -0.04 1.79 1.62 2zdyA1 LYS 257 HG2 -0.29 -0.04 0.10 -0.04 1.46 1.20 2zdyA1 LYS 257 HG3 -0.69 -0.01 0.11 -0.04 1.46 0.83 2zdyA1 LYS 257 HD2 -0.70 -0.02 0.01 -0.04 1.69 0.94 2zdyA1 LYS 257 HD3 -1.18 -0.03 -0.07 -0.04 1.68 0.37 2zdyA1 LYS 257 HE2 -0.23 -0.04 0.12 -0.04 2.99 2.79 2zdyA1 LYS 257 HE3 -0.18 0.06 0.20 -0.04 2.99 3.03 2zdyA1 ASN 258 H -0.11 0.43 -0.25 -0.55 8.53 8.05 2zdyA1 ASN 258 HA -0.07 0.03 0.46 -0.75 4.76 4.41 2zdyA1 ASN 258 HB2 -0.08 0.13 0.13 -0.04 2.88 3.02 2zdyA1 ASN 258 HB3 -0.08 -0.07 -0.02 -0.04 2.79 2.59 2zdyA1 ASN 258 HD21 -0.11 -0.11 -0.09 -0.04 7.03 6.68 2zdyA1 ASN 258 HD22 -0.12 -0.02 -0.06 -0.04 7.74 7.51 2zdyA1 ALA 259 H -0.03 0.57 -0.06 -0.55 8.40 8.34 2zdyA1 ALA 259 HA -0.02 -0.05 0.38 -0.75 4.34 3.89 2zdyA1 ALA 259 HB3 0.07 0.02 0.05 -0.04 1.41 1.51 2zdyA1 MET 260 H -0.04 0.57 -0.26 -0.55 8.47 8.20 2zdyA1 MET 260 HA -0.06 0.03 0.45 -0.75 4.52 4.18 2zdyA1 MET 260 HB2 -0.07 0.09 0.16 -0.04 2.15 2.28 2zdyA1 MET 260 HB3 -0.07 -0.01 0.03 -0.04 2.03 1.94 2zdyA1 MET 260 HG2 -0.14 -0.04 -0.02 -0.04 2.63 2.39 2zdyA1 MET 260 HG3 -0.14 0.17 0.04 -0.04 2.56 2.58 2zdyA1 MET 260 HE3 -1.10 0.05 -0.08 -0.04 2.10 0.92 2zdyA1 ARG 261 H -0.05 0.60 0.00 -0.55 8.46 8.46 2zdyA1 ARG 261 HA -0.11 0.04 0.45 -0.75 4.34 3.97 2zdyA1 ARG 261 HB2 0.01 0.04 0.13 -0.04 1.90 2.03 2zdyA1 ARG 261 HB3 -0.04 0.02 0.18 -0.04 1.80 1.92 2zdyA1 ARG 261 HG2 0.00 0.00 -0.26 -0.04 1.67 1.37 2zdyA1 ARG 261 HG3 0.13 0.00 -0.00 -0.04 1.67 1.76 2zdyA1 ARG 261 HD2 -0.04 -0.05 -0.08 -0.04 3.22 3.01 2zdyA1 ARG 261 HD3 -0.04 -0.01 -0.05 -0.04 3.22 3.08 2zdyA1 ALA 262 H -0.06 0.64 -0.14 -0.55 8.40 8.29 2zdyA1 ALA 262 HA -0.05 0.03 0.36 -0.75 4.34 3.92 2zdyA1 ALA 262 HB3 -0.06 -0.00 0.08 -0.04 1.41 1.39 2zdyA1 THR 263 H -0.07 0.58 -0.17 -0.55 8.28 8.07 2zdyA1 THR 263 HA -0.03 -0.04 0.36 -0.75 4.39 3.93 2zdyA1 THR 263 HB -0.06 0.08 0.18 -0.04 4.32 4.49 2zdyA1 THR 263 HG23 -0.03 0.02 -0.10 -0.04 1.22 1.07 2zdyA1 VAL 264 H -0.18 0.65 -0.09 -0.55 8.24 8.06 2zdyA1 VAL 264 HA -0.14 0.03 0.32 -0.75 4.13 3.59 2zdyA1 VAL 264 HB -0.73 0.05 0.14 -0.04 2.12 1.54 2zdyA1 VAL 264 HG13 -0.41 -0.00 -0.19 -0.04 0.97 0.32 2zdyA1 VAL 264 HG23 -0.20 0.03 -0.03 -0.04 0.95 0.70 2zdyA1 GLU 265 H -0.20 0.56 -0.02 -0.55 8.60 8.40 2zdyA1 GLU 265 HA -0.07 0.04 0.37 -0.75 4.29 3.87 2zdyA1 GLU 265 HB2 -0.03 0.08 0.08 -0.04 2.09 2.18 2zdyA1 GLU 265 HB3 0.01 -0.06 0.05 -0.04 1.99 1.94 2zdyA1 GLU 265 HG2 0.03 -0.02 0.03 -0.04 2.34 2.34 2zdyA1 GLU 265 HG3 -0.16 0.18 0.13 -0.04 2.34 2.45 2zdyA1 HIS 266 H 0.03 0.35 -0.36 -0.55 8.41 7.89 2zdyA1 HIS 266 HA -0.04 0.04 0.53 -0.75 4.63 4.41 2zdyA1 HIS 266 HB2 -0.05 0.17 0.04 -0.04 3.26 3.38 2zdyA1 HIS 266 HB3 -0.07 0.07 0.09 -0.04 3.20 3.26 2zdyA1 HIS 266 HD2 -0.02 -0.01 -0.01 -0.04 6.97 6.88 2zdyA1 HIS 266 HE1 -0.03 0.02 -0.06 -0.04 7.75 7.63 2zdyA1 GLN 267 H -0.04 0.39 -0.22 -0.55 8.47 8.05 2zdyA1 GLN 267 HA -0.15 0.11 0.83 -0.75 4.36 4.39 2zdyA1 GLN 267 HB2 -0.04 0.22 0.19 -0.04 2.15 2.48 2zdyA1 GLN 267 HB3 -0.04 -0.02 0.25 -0.04 2.02 2.16 2zdyA1 GLN 267 HG2 -0.04 -0.06 0.09 -0.04 2.40 2.35 2zdyA1 GLN 267 HG3 0.04 0.06 0.00 -0.04 2.39 2.45 2zdyA1 GLN 267 HE21 -0.03 -0.15 0.14 -0.04 6.97 6.90 2zdyA1 GLN 267 HE22 -0.00 0.18 0.17 -0.04 7.69 7.99 2zdyA1 GLU 268 H -0.07 0.26 -0.42 -0.55 8.60 7.82 2zdyA1 GLU 268 HA -0.04 0.10 0.23 -0.75 4.29 3.83 2zdyA1 GLU 268 HB2 -0.01 -0.06 0.12 -0.04 2.09 2.10 2zdyA1 GLU 268 HB3 -0.04 0.14 0.11 -0.04 1.99 2.16 2zdyA1 GLU 268 HG2 -0.05 0.02 -0.05 -0.04 2.34 2.22 2zdyA1 GLU 268 HG3 -0.02 -0.08 -0.16 -0.04 2.34 2.04 2zdyA1 ASN 269 H -0.07 0.05 -0.63 -0.55 8.53 7.34 2zdyA1 ASN 269 HA -0.03 0.14 0.73 -0.75 4.76 4.86 2zdyA1 ASN 269 HB2 -0.03 -0.05 0.09 -0.04 2.88 2.85 2zdyA1 ASN 269 HB3 -0.04 -0.02 -0.01 -0.04 2.79 2.68 2zdyA1 ASN 269 HD21 -0.07 -0.00 -0.03 -0.04 7.03 6.88 2zdyA1 ASN 269 HD22 -0.04 -0.06 -0.04 -0.04 7.74 7.56 2zdyA1 GLN 270 H -0.04 0.57 -0.07 -0.55 8.47 8.38 2zdyA1 GLN 270 HA -0.02 0.09 0.76 -0.75 4.36 4.44 2zdyA1 GLN 270 HB2 -0.03 0.25 0.21 -0.04 2.15 2.54 2zdyA1 GLN 270 HB3 -0.02 -0.10 0.15 -0.04 2.02 2.00 2zdyA1 GLN 270 HG2 -0.04 -0.04 -0.10 -0.04 2.40 2.18 2zdyA1 GLN 270 HG3 -0.06 0.00 0.09 -0.04 2.39 2.38 2zdyA1 GLN 270 HE21 -0.00 -0.06 0.04 -0.04 6.97 6.90 2zdyA1 GLN 270 HE22 -0.03 0.04 0.05 -0.04 7.69 7.71 2zdyA1 PRO 271 HA -0.01 0.11 0.42 -0.51 4.44 4.45 2zdyA1 PRO 271 HB2 -0.00 -0.01 -0.00 -0.04 2.28 2.22 2zdyA1 PRO 271 HB3 -0.00 0.01 0.11 -0.04 2.02 2.09 2zdyA1 PRO 271 HG2 -0.00 -0.01 0.07 -0.04 2.03 2.05 2zdyA1 PRO 271 HG3 -0.00 0.00 0.08 -0.04 2.03 2.07 2zdyA1 PRO 271 HD2 -0.01 0.08 0.25 -0.04 3.68 3.96 2zdyA1 PRO 271 HD3 -0.01 0.16 0.23 -0.04 3.65 3.98 2zdyA1 SER 272 H -0.01 0.14 -0.15 -0.55 8.46 7.89 2zdyA1 SER 272 HA -0.00 0.20 0.45 -0.75 4.49 4.38 2zdyA1 SER 272 HB2 0.00 -0.03 0.08 -0.04 3.95 3.96 2zdyA1 SER 272 HB3 0.00 0.08 -0.05 -0.04 3.93 3.92 2zdyA1 LEU 273 H -0.00 0.14 0.07 -0.55 8.37 8.03 2zdyA1 LEU 273 HA -0.02 0.19 0.79 -0.75 4.35 4.56 2zdyA1 LEU 273 HB2 0.00 -0.08 -0.01 -0.04 1.64 1.52 2zdyA1 LEU 273 HB3 -0.01 0.09 -0.09 -0.04 1.64 1.59 2zdyA1 LEU 273 HG -0.02 -0.00 -0.23 -0.04 1.64 1.35 2zdyA1 LEU 273 HD13 -0.02 0.01 -0.31 -0.04 0.93 0.57 2zdyA1 LEU 273 HD23 -0.05 0.03 -0.18 -0.04 0.89 0.65 2zdyA1 THR 274 H -0.01 0.17 0.14 -0.55 8.28 8.03 2zdyA1 THR 274 HA 0.00 0.07 0.61 -0.75 4.39 4.32 2zdyA1 THR 274 HB -0.01 0.03 0.09 -0.04 4.32 4.39 2zdyA1 THR 274 HG23 -0.01 0.00 0.08 -0.04 1.22 1.25 2zdyA1 PRO 275 HA 0.04 -0.05 0.50 -0.51 4.44 4.42 2zdyA1 PRO 275 HB2 0.00 0.13 -0.17 -0.04 2.28 2.20 2zdyA1 PRO 275 HB3 0.00 -0.05 -0.03 -0.04 2.02 1.90 2zdyA1 PRO 275 HG2 0.01 -0.00 -0.08 -0.04 2.03 1.92 2zdyA1 PRO 275 HG3 0.00 0.01 -0.01 -0.04 2.03 2.00 2zdyA1 PRO 275 HD2 0.01 0.04 0.18 -0.04 3.68 3.87 2zdyA1 PRO 275 HD3 0.01 0.15 0.20 -0.04 3.65 3.97 2zdyA1 ILE 276 H 0.12 0.40 0.23 -0.55 8.25 8.45 2zdyA1 ILE 276 HA 0.08 0.15 0.88 -0.75 4.18 4.54 2zdyA1 ILE 276 HB 0.36 -0.01 0.06 -0.04 1.89 2.26 2zdyA1 ILE 276 HG12 0.10 -0.03 -0.04 -0.04 1.49 1.48 2zdyA1 ILE 276 HG13 0.11 0.02 -0.04 -0.04 1.21 1.25 2zdyA1 ILE 276 HG23 0.31 -0.01 -0.21 -0.04 0.93 0.98 2zdyA1 ILE 276 HD13 0.10 -0.01 -0.16 -0.04 0.88 0.78 2zdyA1 GLU 277 H 0.07 0.65 0.31 -0.55 8.60 9.08 2zdyA1 GLU 277 HA 0.02 0.27 1.10 -0.75 4.29 4.93 2zdyA1 GLU 277 HB2 0.04 -0.03 0.14 -0.04 2.09 2.20 2zdyA1 GLU 277 HB3 0.03 -0.02 -0.03 -0.04 1.99 1.93 2zdyA1 GLU 277 HG2 0.01 0.01 -0.06 -0.04 2.34 2.27 2zdyA1 GLU 277 HG3 0.02 0.06 -0.24 -0.04 2.34 2.14 2zdyA1 VAL 278 H 0.02 0.75 0.41 -0.55 8.24 8.88 2zdyA1 VAL 278 HA 0.07 0.48 1.24 -0.75 4.13 5.16 2zdyA1 VAL 278 HB 0.07 -0.08 0.06 -0.04 2.12 2.13 2zdyA1 VAL 278 HG13 0.10 -0.02 -0.20 -0.04 0.97 0.81 2zdyA1 VAL 278 HG23 0.33 -0.01 -0.24 -0.04 0.95 0.98 2zdyA1 ILE 279 H 0.02 0.53 0.37 -0.55 8.25 8.61 2zdyA1 ILE 279 HA 0.01 0.29 1.03 -0.75 4.18 4.75 2zdyA1 ILE 279 HB 0.01 0.02 -0.01 -0.04 1.89 1.86 2zdyA1 ILE 279 HG12 0.00 -0.03 -0.33 -0.04 1.49 1.09 2zdyA1 ILE 279 HG13 0.00 0.02 -0.12 -0.04 1.21 1.07 2zdyA1 ILE 279 HG23 0.00 -0.00 0.05 -0.04 0.93 0.94 2zdyA1 ILE 279 HD13 0.00 -0.01 -0.11 -0.04 0.88 0.73 2zdyA1 VAL 280 H 0.00 0.60 0.36 -0.55 8.24 8.65 2zdyA1 VAL 280 HA -0.01 0.27 1.07 -0.75 4.13 4.71 2zdyA1 VAL 280 HB 0.00 -0.03 0.19 -0.04 2.12 2.24 2zdyA1 VAL 280 HG13 -0.00 -0.02 -0.16 -0.04 0.97 0.75 2zdyA1 VAL 280 HG23 0.02 -0.00 -0.13 -0.04 0.95 0.79 2zdyA1 VAL 281 H -0.01 0.69 0.32 -0.55 8.24 8.69 2zdyA1 VAL 281 HA -0.00 0.28 1.13 -0.75 4.13 4.79 2zdyA1 VAL 281 HB 0.01 -0.01 0.11 -0.04 2.12 2.19 2zdyA1 VAL 281 HG13 0.00 -0.01 -0.18 -0.04 0.97 0.74 2zdyA1 VAL 281 HG23 0.00 -0.01 -0.26 -0.04 0.95 0.64 2zdyA1 LEU 282 H 0.00 0.48 0.39 -0.55 8.37 8.69 2zdyA1 LEU 282 HA 0.01 0.21 1.16 -0.75 4.35 4.98 2zdyA1 LEU 282 HB2 0.02 -0.03 0.09 -0.04 1.64 1.68 2zdyA1 LEU 282 HB3 0.01 -0.20 0.29 -0.04 1.64 1.70 2zdyA1 LEU 282 HG -0.02 0.08 -0.11 -0.04 1.64 1.55 2zdyA1 LEU 282 HD13 0.03 0.03 0.04 -0.04 0.93 0.99 2zdyA1 LEU 282 HD23 0.15 -0.01 0.03 -0.04 0.89 1.01 2zdyA1 GLY 283 H 0.00 0.88 0.34 -0.55 8.43 9.10 2zdyA1 GLY 283 HA2 -0.04 0.14 0.88 -0.51 4.01 4.47 2zdyA1 GLY 283 HA3 -0.01 -0.05 0.39 -0.51 4.01 3.83 2zdyA1 LYS 284 H -0.04 0.12 0.15 -0.55 8.42 8.10 2zdyA1 LYS 284 HA -0.09 0.15 0.40 -0.75 4.32 4.03 2zdyA1 LYS 284 HB2 -0.05 0.01 0.14 -0.04 1.87 1.92 2zdyA1 LYS 284 HB3 -0.03 -0.04 0.11 -0.04 1.79 1.78 2zdyA1 LYS 284 HG2 -0.08 0.05 0.06 -0.04 1.46 1.45 2zdyA1 LYS 284 HG3 -0.04 0.01 0.02 -0.04 1.46 1.41 2zdyA1 LYS 284 HD2 -0.02 -0.03 -0.22 -0.04 1.69 1.38 2zdyA1 LYS 284 HD3 -0.03 0.02 -0.03 -0.04 1.68 1.59 2zdyA1 LYS 284 HE2 -0.01 -0.01 -0.02 -0.04 2.99 2.91 2zdyA1 LYS 284 HE3 -0.03 0.02 0.00 -0.04 2.99 2.95 2zdyA1 GLU 285 H -0.01 -0.04 0.04 -0.55 8.60 8.04 2zdyA1 GLU 285 HA -0.00 0.20 0.85 -0.75 4.29 4.58 2zdyA1 GLU 285 HB2 -0.01 -0.03 0.07 -0.04 2.09 2.09 2zdyA1 GLU 285 HB3 0.00 0.05 0.02 -0.04 1.99 2.02 2zdyA1 GLU 285 HG2 -0.00 0.04 0.01 -0.04 2.34 2.34 2zdyA1 GLU 285 HG3 -0.01 -0.06 -0.14 -0.04 2.34 2.09 2zdyA1 ASP 286 H 0.01 -0.06 -0.03 -0.55 8.40 7.78 2zdyA1 ASP 286 HA 0.04 0.35 1.06 -0.75 4.63 5.33 2zdyA1 ASP 286 HB2 0.07 -0.08 -0.07 -0.04 2.71 2.58 2zdyA1 ASP 286 HB3 0.12 0.13 -0.06 -0.04 2.70 2.85 2zdyA1 LEU 287 H 0.03 0.89 0.29 -0.55 8.37 9.04 2zdyA1 LEU 287 HA 0.01 0.19 0.89 -0.75 4.35 4.69 2zdyA1 LEU 287 HB2 -0.00 0.03 -0.00 -0.04 1.64 1.62 2zdyA1 LEU 287 HB3 -0.04 -0.01 0.10 -0.04 1.64 1.64 2zdyA1 LEU 287 HG -0.04 -0.02 -0.14 -0.04 1.64 1.41 2zdyA1 LEU 287 HD13 -0.06 -0.01 -0.33 -0.04 0.93 0.49 2zdyA1 LEU 287 HD23 -0.00 0.03 -0.12 -0.04 0.89 0.76 2zdyA1 THR 288 H 0.01 0.68 0.30 -0.55 8.28 8.72 2zdyA1 THR 288 HA -0.06 0.42 1.21 -0.75 4.39 5.21 2zdyA1 THR 288 HB 0.02 -0.06 0.09 -0.04 4.32 4.32 2zdyA1 THR 288 HG23 -0.17 0.01 -0.16 -0.04 1.22 0.87 2zdyA1 ILE 289 H -0.15 0.67 0.34 -0.55 8.25 8.57 2zdyA1 ILE 289 HA -0.04 0.31 1.16 -0.75 4.18 4.86 2zdyA1 ILE 289 HB -0.08 -0.05 0.17 -0.04 1.89 1.88 2zdyA1 ILE 289 HG12 -0.02 -0.00 -0.12 -0.04 1.49 1.31 2zdyA1 ILE 289 HG13 -0.06 -0.02 -0.33 -0.04 1.21 0.77 2zdyA1 ILE 289 HG23 -0.03 -0.00 -0.18 -0.04 0.93 0.67 2zdyA1 ILE 289 HD13 -0.03 -0.01 -0.12 -0.04 0.88 0.68 2zdyA1 LYS 290 H -0.03 0.67 0.36 -0.55 8.42 8.87 2zdyA1 LYS 290 HA -0.05 0.31 1.24 -0.75 4.32 5.06 2zdyA1 LYS 290 HB2 -0.03 -0.03 -0.01 -0.04 1.87 1.76 2zdyA1 LYS 290 HB3 0.00 -0.08 0.14 -0.04 1.79 1.80 2zdyA1 LYS 290 HG2 0.01 0.10 -0.03 -0.04 1.46 1.51 2zdyA1 LYS 290 HG3 0.01 -0.03 -0.09 -0.04 1.46 1.32 2zdyA1 LYS 290 HD2 0.02 -0.02 -0.16 -0.04 1.69 1.50 2zdyA1 LYS 290 HD3 0.04 -0.01 -0.12 -0.04 1.68 1.54 2zdyA1 LYS 290 HE2 0.02 0.00 -0.09 -0.04 2.99 2.88 2zdyA1 LYS 290 HE3 0.01 -0.02 -0.07 -0.04 2.99 2.87 2zdyA1 ILE 291 H -0.02 0.85 0.38 -0.55 8.25 8.92 2zdyA1 ILE 291 HA 0.06 0.28 1.09 -0.75 4.18 4.86 2zdyA1 ILE 291 HB -0.07 -0.05 0.18 -0.04 1.89 1.91 2zdyA1 ILE 291 HG12 -0.01 0.02 -0.18 -0.04 1.49 1.28 2zdyA1 ILE 291 HG13 -0.09 -0.07 -0.44 -0.04 1.21 0.58 2zdyA1 ILE 291 HG23 0.09 -0.00 -0.21 -0.04 0.93 0.77 2zdyA1 ILE 291 HD13 -0.53 -0.01 -0.13 -0.04 0.88 0.17 2zdyA1 SER 292 H 0.06 0.89 0.40 -0.55 8.46 9.26 2zdyA1 SER 292 HA 0.04 0.23 1.02 -0.75 4.49 5.03 2zdyA1 SER 292 HB2 0.05 -0.02 0.14 -0.04 3.95 4.08 2zdyA1 SER 292 HB3 0.05 0.03 -0.01 -0.04 3.93 3.96 2zdyA1 ASP 293 H 0.01 0.55 0.44 -0.55 8.40 8.84 2zdyA1 ASP 293 HA 0.00 0.29 1.03 -0.75 4.63 5.20 2zdyA1 ASP 293 HB2 -0.02 0.08 0.17 -0.04 2.71 2.89 2zdyA1 ASP 293 HB3 0.02 0.03 0.01 -0.04 2.70 2.72 2zdyA1 ARG 294 H -0.08 0.31 0.08 -0.55 8.46 8.21 2zdyA1 ARG 294 HA -0.40 0.17 0.92 -0.75 4.34 4.27 2zdyA1 ARG 294 HB2 -0.13 0.02 0.20 -0.04 1.90 1.95 2zdyA1 ARG 294 HB3 -0.30 0.07 0.26 -0.04 1.80 1.78 2zdyA1 ARG 294 HG2 -0.71 0.01 -0.04 -0.04 1.67 0.89 2zdyA1 ARG 294 HG3 -0.16 -0.06 -0.30 -0.04 1.67 1.11 2zdyA1 ARG 294 HD2 0.00 -0.03 -0.05 -0.04 3.22 3.11 2zdyA1 ARG 294 HD3 -0.05 0.02 -0.00 -0.04 3.22 3.15 2zdyA1 GLY 295 H -0.14 -0.07 -0.20 -0.55 8.43 7.47 2zdyA1 GLY 295 HA2 -0.05 0.32 0.51 -0.51 4.01 4.28 2zdyA1 GLY 295 HA3 -0.10 -0.08 -0.01 -0.51 4.01 3.32 2zdyA1 GLY 296 H -0.38 0.52 -0.59 -0.55 8.43 7.42 2zdyA1 GLY 296 HA2 -0.71 0.06 -0.08 -0.51 4.01 2.77 2zdyA1 GLY 296 HA3 -0.94 0.24 0.26 -0.51 4.01 3.06 2zdyA1 GLY 297 H -0.15 0.03 -0.56 -0.55 8.43 7.20 2zdyA1 GLY 297 HA2 -0.04 -0.03 -0.01 -0.51 4.01 3.42 2zdyA1 GLY 297 HA3 -0.03 0.03 -0.10 -0.51 4.01 3.40 2zdyA1 VAL 298 H -0.01 0.14 -0.01 -0.55 8.24 7.82 2zdyA1 VAL 298 HA -0.01 0.28 0.62 -0.75 4.13 4.27 2zdyA1 VAL 298 HB -0.00 0.06 -0.01 -0.04 2.12 2.12 2zdyA1 VAL 298 HG13 -0.02 0.01 -0.33 -0.04 0.97 0.59 2zdyA1 VAL 298 HG23 -0.02 0.01 -0.28 -0.04 0.95 0.62 2zdyA1 PRO 299 HA 0.01 0.06 0.54 -0.51 4.44 4.54 2zdyA1 PRO 299 HB2 0.01 -0.11 0.04 -0.04 2.28 2.19 2zdyA1 PRO 299 HB3 0.01 0.11 0.12 -0.04 2.02 2.23 2zdyA1 PRO 299 HG2 0.01 -0.03 0.08 -0.04 2.03 2.05 2zdyA1 PRO 299 HG3 0.02 0.14 0.07 -0.04 2.03 2.21 2zdyA1 PRO 299 HD2 0.01 0.15 0.18 -0.04 3.68 3.98 2zdyA1 PRO 299 HD3 0.01 0.22 0.10 -0.04 3.65 3.93 2zdyA1 LEU 300 H 0.01 0.19 0.22 -0.55 8.37 8.25 2zdyA1 LEU 300 HA 0.01 0.09 0.34 -0.75 4.35 4.04 2zdyA1 LEU 300 HB2 0.02 0.04 0.20 -0.04 1.64 1.86 2zdyA1 LEU 300 HB3 0.01 -0.00 0.11 -0.04 1.64 1.72 2zdyA1 LEU 300 HG 0.01 0.00 -0.05 -0.04 1.64 1.57 2zdyA1 LEU 300 HD13 0.04 0.00 0.12 -0.04 0.93 1.05 2zdyA1 LEU 300 HD23 0.02 0.01 0.03 -0.04 0.89 0.91 2zdyA1 ARG 301 H 0.00 -0.00 -0.54 -0.55 8.46 7.37 2zdyA1 ARG 301 HA -0.00 0.08 0.25 -0.75 4.34 3.92 2zdyA1 ARG 301 HB2 0.01 -0.02 0.06 -0.04 1.90 1.90 2zdyA1 ARG 301 HB3 0.00 0.00 0.00 -0.04 1.80 1.77 2zdyA1 ARG 301 HG2 -0.00 0.03 -0.16 -0.04 1.67 1.50 2zdyA1 ARG 301 HG3 0.00 0.01 0.04 -0.04 1.67 1.68 2zdyA1 ARG 301 HD2 0.01 0.03 -0.02 -0.04 3.22 3.20 2zdyA1 ARG 301 HD3 0.01 -0.01 0.00 -0.04 3.22 3.18 2zdyA1 ILE 302 H -0.02 0.40 -0.25 -0.55 8.25 7.84 2zdyA1 ILE 302 HA -0.08 0.19 0.76 -0.75 4.18 4.29 2zdyA1 ILE 302 HB -0.11 0.01 0.07 -0.04 1.89 1.81 2zdyA1 ILE 302 HG12 -0.00 -0.00 -0.01 -0.04 1.49 1.43 2zdyA1 ILE 302 HG13 -0.04 0.04 -0.33 -0.04 1.21 0.84 2zdyA1 ILE 302 HG23 0.01 -0.00 -0.09 -0.04 0.93 0.81 2zdyA1 ILE 302 HD13 0.06 0.00 -0.06 -0.04 0.88 0.84 2zdyA1 ILE 303 H -0.03 0.40 -0.30 -0.55 8.25 7.77 2zdyA1 ILE 303 HA -0.05 0.04 0.30 -0.75 4.18 3.72 2zdyA1 ILE 303 HB -0.00 0.14 0.16 -0.04 1.89 2.14 2zdyA1 ILE 303 HG12 -0.01 0.07 -0.08 -0.04 1.49 1.43 2zdyA1 ILE 303 HG13 0.01 -0.02 0.04 -0.04 1.21 1.20 2zdyA1 ILE 303 HG23 0.03 0.00 -0.15 -0.04 0.93 0.78 2zdyA1 ILE 303 HD13 -0.02 -0.01 -0.08 -0.04 0.88 0.73 2zdyA1 ASP 304 H -0.02 0.20 -0.13 -0.55 8.40 7.90 2zdyA1 ASP 304 HA 0.10 0.08 0.42 -0.75 4.63 4.48 2zdyA1 ASP 304 HB2 -0.02 0.03 0.06 -0.04 2.71 2.74 2zdyA1 ASP 304 HB3 -0.00 0.05 0.01 -0.04 2.70 2.71 2zdyA1 ARG 305 H -0.14 0.08 -0.30 -0.55 8.46 7.55 2zdyA1 ARG 305 HA -0.18 0.10 0.52 -0.75 4.34 4.02 2zdyA1 ARG 305 HB2 -0.44 0.13 0.09 -0.04 1.90 1.64 2zdyA1 ARG 305 HB3 -1.10 -0.00 -0.03 -0.04 1.80 0.63 2zdyA1 ARG 305 HG2 -0.11 0.02 0.02 -0.04 1.67 1.56 2zdyA1 ARG 305 HG3 -0.11 -0.03 0.03 -0.04 1.67 1.51 2zdyA1 ARG 305 HD2 -0.03 0.00 -0.01 -0.04 3.22 3.15 2zdyA1 ARG 305 HD3 -0.10 -0.03 0.05 -0.04 3.22 3.10 2zdyA1 LEU 306 H -0.22 0.38 -0.55 -0.55 8.37 7.43 2zdyA1 LEU 306 HA -0.24 0.04 0.24 -0.75 4.35 3.64 2zdyA1 LEU 306 HB2 -0.29 0.14 0.09 -0.04 1.64 1.55 2zdyA1 LEU 306 HB3 -0.28 -0.12 0.00 -0.04 1.64 1.21 2zdyA1 LEU 306 HG -0.15 0.18 0.12 -0.04 1.64 1.74 2zdyA1 LEU 306 HD13 -0.10 -0.04 -0.08 -0.04 0.93 0.66 2zdyA1 LEU 306 HD23 -0.11 -0.05 -0.14 -0.04 0.89 0.55 2zdyA1 PHE 307 H 0.07 0.28 -0.29 -0.55 8.34 7.85 2zdyA1 PHE 307 HA -0.13 0.03 0.57 -0.75 4.62 4.33 2zdyA1 PHE 307 HB2 -0.10 0.11 0.06 -0.04 3.15 3.18 2zdyA1 PHE 307 HB3 -0.13 -0.04 0.09 -0.04 3.06 2.94 2zdyA1 PHE 307 HD2 -0.10 0.04 -0.13 -0.04 7.28 7.05 2zdyA1 PHE 307 HE2 -0.08 -0.03 -0.07 -0.04 7.38 7.16 2zdyA1 PHE 307 HZ -0.08 -0.10 -0.19 -0.04 7.32 6.91 2zdyA1 SER 308 H -0.04 0.36 -0.53 -0.55 8.46 7.70 2zdyA1 SER 308 HA 0.00 -0.00 0.66 -0.75 4.49 4.39 2zdyA1 SER 308 HB2 0.07 0.09 0.18 -0.04 3.95 4.24 2zdyA1 SER 308 HB3 0.10 0.03 0.09 -0.04 3.93 4.12 2zdyA1 TYR 309 H 0.10 0.06 0.17 -0.55 8.29 8.07 2zdyA1 TYR 309 HA -0.17 0.18 0.51 -0.75 4.56 4.33 2zdyA1 TYR 309 HB2 -0.01 -0.03 0.08 -0.04 3.06 3.06 2zdyA1 TYR 309 HB3 -0.26 0.00 -0.00 -0.04 2.98 2.68 2zdyA1 TYR 309 HD2 -0.66 -0.02 0.08 -0.04 7.15 6.50 2zdyA1 TYR 309 HE2 -0.09 -0.00 -0.04 -0.04 6.85 6.68 2zdyA1 THR 310 H 0.18 0.30 0.16 -0.55 8.28 8.37 2zdyA1 THR 310 HA 0.31 0.42 0.37 -0.75 4.39 4.73 2zdyA1 THR 310 HB 0.19 -0.03 0.12 -0.04 4.32 4.56 2zdyA1 THR 310 HG23 0.33 -0.05 -0.32 -0.04 1.22 1.15 2zdyA1 TYR 311 H 0.19 0.54 -0.54 -0.55 8.29 7.93 2zdyA1 TYR 311 HA 0.03 0.00 0.59 -0.75 4.56 4.43 2zdyA1 TYR 311 HB2 0.01 -0.06 0.08 -0.04 3.06 3.06 2zdyA1 TYR 311 HB3 -0.03 0.14 0.16 -0.04 2.98 3.22 2zdyA1 TYR 311 HD2 -0.02 -0.04 -0.19 -0.04 7.15 6.86 2zdyA1 TYR 311 HE2 -0.02 -0.07 -0.15 -0.04 6.85 6.58 2zdyA1 SER 312 H -0.53 0.34 0.23 -0.55 8.46 7.96 2zdyA1 SER 312 HA -0.14 0.02 0.55 -0.75 4.49 4.17 2zdyA1 SER 312 HB2 -0.05 -0.10 -0.35 -0.04 3.95 3.41 2zdyA1 SER 312 HB3 -0.13 0.29 -0.08 -0.04 3.93 3.98 2zdyA1 THR 313 H -0.11 0.08 0.10 -0.55 8.28 7.80 2zdyA1 THR 313 HA -0.16 0.21 0.81 -0.75 4.39 4.49 2zdyA1 THR 313 HB -0.03 0.03 0.09 -0.04 4.32 4.37 2zdyA1 THR 313 HG23 0.03 -0.00 -0.07 -0.04 1.22 1.14 2zdyA1 ALA 314 H -0.10 -0.12 -0.07 -0.55 8.40 7.57 2zdyA1 ALA 314 HA -0.06 0.20 0.72 -0.75 4.34 4.45 2zdyA1 ALA 314 HB3 -0.09 -0.02 -0.13 -0.04 1.41 1.14 2zdyA1 PRO 315 HA -0.08 0.04 0.55 -0.51 4.44 4.45 2zdyA1 PRO 315 HB2 -0.06 0.03 -0.06 -0.04 2.28 2.15 2zdyA1 PRO 315 HB3 -0.05 0.03 0.07 -0.04 2.02 2.02 2zdyA1 PRO 315 HG2 -0.03 0.02 0.06 -0.04 2.03 2.03 2zdyA1 PRO 315 HG3 -0.04 0.05 0.04 -0.04 2.03 2.04 2zdyA1 PRO 315 HD2 -0.05 0.06 0.17 -0.04 3.68 3.82 2zdyA1 PRO 315 HD3 -0.05 0.19 0.17 -0.04 3.65 3.93 2zdyA1 THR 316 H -0.10 0.08 0.15 -0.55 8.28 7.86 2zdyA1 THR 316 HA -0.28 0.01 0.40 -0.75 4.39 3.76 2zdyA1 THR 316 HB -0.10 -0.07 0.13 -0.04 4.32 4.24 2zdyA1 THR 316 HG23 -0.28 0.07 -0.15 -0.04 1.22 0.81 2zdyA1 PRO 317 HA -0.10 0.15 0.38 -0.51 4.44 4.36 2zdyA1 PRO 317 HB2 -0.06 0.01 0.76 -0.04 2.28 2.95 2zdyA1 PRO 317 HB3 -0.09 0.05 0.00 -0.04 2.02 1.95 2zdyA1 PRO 317 HG2 -0.88 -0.01 0.17 -0.04 2.03 1.27 2zdyA1 PRO 317 HG3 -0.27 -0.02 -0.53 -0.04 2.03 1.16 2zdyA1 PRO 317 HD2 -0.83 -0.02 -0.04 -0.04 3.68 2.75 2zdyA1 PRO 317 HD3 -0.32 0.38 0.23 -0.04 3.65 3.90 2zdyA1 PRO 326 HA 0.16 -0.09 0.28 -0.51 4.44 4.28 2zdyA1 PRO 326 HB2 0.15 -0.07 -0.06 -0.04 2.28 2.26 2zdyA1 PRO 326 HB3 0.15 0.00 1.16 -0.04 2.02 3.30 2zdyA1 PRO 326 HG2 0.16 -0.03 0.08 -0.04 2.03 2.21 2zdyA1 PRO 326 HG3 0.21 -0.01 0.05 -0.04 2.03 2.24 2zdyA1 PRO 326 HD2 0.13 -0.01 0.04 -0.04 3.68 3.80 2zdyA1 PRO 326 HD3 0.13 0.00 0.03 -0.04 3.65 3.78 2zdyA1 LEU 327 H -0.34 0.14 0.10 -0.55 8.37 7.71 2zdyA1 LEU 327 HA -0.13 0.14 0.60 -0.75 4.35 4.20 2zdyA1 LEU 327 HB2 -1.04 0.05 0.06 -0.04 1.64 0.67 2zdyA1 LEU 327 HB3 -0.64 -0.00 0.11 -0.04 1.64 1.06 2zdyA1 LEU 327 HG -0.18 -0.04 -0.10 -0.04 1.64 1.28 2zdyA1 LEU 327 HD13 -0.09 0.01 -0.00 -0.04 0.93 0.80 2zdyA1 LEU 327 HD23 -0.12 0.01 -0.01 -0.04 0.89 0.73 2zdyA1 ALA 328 H -0.20 0.26 0.09 -0.55 8.40 8.00 2zdyA1 ALA 328 HA -0.05 0.02 0.59 -0.75 4.34 4.14 2zdyA1 ALA 328 HB3 -0.10 0.03 -0.08 -0.04 1.41 1.22 2zdyA1 GLY 329 H -0.04 -0.03 0.07 -0.55 8.43 7.88 2zdyA1 GLY 329 HA2 -0.14 0.15 0.04 -0.51 4.01 3.55 2zdyA1 GLY 329 HA3 -0.25 0.34 0.73 -0.51 4.01 4.33 2zdyA1 PHE 330 H 0.04 0.04 -0.01 -0.55 8.34 7.85 2zdyA1 PHE 330 HA 0.06 0.28 0.63 -0.75 4.62 4.83 2zdyA1 PHE 330 HB2 0.03 -0.10 0.05 -0.04 3.15 3.09 2zdyA1 PHE 330 HB3 -0.00 0.01 -0.00 -0.04 3.06 3.02 2zdyA1 PHE 330 HD2 -0.00 0.01 -0.01 -0.04 7.28 7.23 2zdyA1 PHE 330 HE2 0.00 0.03 0.01 -0.04 7.38 7.38 2zdyA1 PHE 330 HZ 0.00 0.02 -0.03 -0.04 7.32 7.27 2zdyA1 GLY 331 H 0.16 -0.12 -0.06 -0.55 8.43 7.86 2zdyA1 GLY 331 HA2 0.09 0.06 0.24 -0.51 4.01 3.89 2zdyA1 GLY 331 HA3 0.15 0.23 -0.06 -0.51 4.01 3.82 2zdyA1 TYR 332 H 0.34 -0.04 -0.12 -0.55 8.29 7.92 2zdyA1 TYR 332 HA 0.08 0.26 0.87 -0.75 4.56 5.02 2zdyA1 TYR 332 HB2 0.10 -0.04 -0.03 -0.04 3.06 3.05 2zdyA1 TYR 332 HB3 0.07 0.00 -0.05 -0.04 2.98 2.96 2zdyA1 TYR 332 HD2 0.07 0.05 -0.25 -0.04 7.15 6.97 2zdyA1 TYR 332 HE2 0.10 0.05 -0.04 -0.04 6.85 6.92 2zdyA1 GLY 333 H 0.13 -0.02 0.04 -0.55 8.43 8.03 2zdyA1 GLY 333 HA2 0.11 0.06 0.27 -0.51 4.01 3.94 2zdyA1 GLY 333 HA3 0.02 0.09 0.31 -0.51 4.01 3.91 2zdyA1 LEU 334 H -0.08 0.16 -0.27 -0.55 8.37 7.63 2zdyA1 LEU 334 HA -0.07 0.04 0.38 -0.75 4.35 3.95 2zdyA1 LEU 334 HB2 -0.34 0.24 0.03 -0.04 1.64 1.53 2zdyA1 LEU 334 HB3 -0.85 -0.00 -0.15 -0.04 1.64 0.60 2zdyA1 LEU 334 HG -0.22 -0.08 -0.09 -0.04 1.64 1.21 2zdyA1 LEU 334 HD13 -0.57 0.03 -0.13 -0.04 0.93 0.22 2zdyA1 LEU 334 HD23 -0.27 -0.01 -0.11 -0.04 0.89 0.46 2zdyA1 PRO 335 HA 0.08 0.05 0.45 -0.51 4.44 4.51 2zdyA1 PRO 335 HB2 -1.06 -0.05 -0.02 -0.04 2.28 1.11 2zdyA1 PRO 335 HB3 -0.49 0.45 0.16 -0.04 2.02 2.09 2zdyA1 PRO 335 HG2 -0.59 -0.03 0.05 -0.04 2.03 1.42 2zdyA1 PRO 335 HG3 -0.70 0.14 -0.25 -0.04 2.03 1.18 2zdyA1 PRO 335 HD2 -0.13 -0.19 -0.44 -0.04 3.68 2.87 2zdyA1 PRO 335 HD3 -0.21 0.26 -0.02 -0.04 3.65 3.64 2zdyA1 ILE 336 H -0.02 0.56 -0.23 -0.55 8.25 8.01 2zdyA1 ILE 336 HA -0.04 0.05 0.45 -0.75 4.18 3.89 2zdyA1 ILE 336 HB 0.19 0.07 0.01 -0.04 1.89 2.12 2zdyA1 ILE 336 HG12 0.11 0.15 0.07 -0.04 1.49 1.77 2zdyA1 ILE 336 HG13 0.19 -0.07 -0.05 -0.04 1.21 1.23 2zdyA1 ILE 336 HG23 -0.11 -0.02 -0.15 -0.04 0.93 0.61 2zdyA1 ILE 336 HD13 -0.14 -0.01 -0.04 -0.04 0.88 0.65 2zdyA1 SER 337 H 0.15 0.49 -0.12 -0.55 8.46 8.43 2zdyA1 SER 337 HA 0.35 -0.04 0.38 -0.75 4.49 4.43 2zdyA1 SER 337 HB2 0.12 0.13 0.20 -0.04 3.95 4.37 2zdyA1 SER 337 HB3 0.14 -0.08 0.01 -0.04 3.93 3.96 2zdyA1 ARG 338 H 0.15 0.65 -0.15 -0.55 8.46 8.54 2zdyA1 ARG 338 HA 0.12 -0.05 0.46 -0.75 4.34 4.11 2zdyA1 ARG 338 HB2 0.20 0.01 0.10 -0.04 1.90 2.17 2zdyA1 ARG 338 HB3 0.09 0.15 0.12 -0.04 1.80 2.12 2zdyA1 ARG 338 HG2 -0.02 0.02 -0.17 -0.04 1.67 1.46 2zdyA1 ARG 338 HG3 -0.01 -0.17 0.13 -0.04 1.67 1.57 2zdyA1 ARG 338 HD2 -0.23 -0.04 0.05 -0.04 3.22 2.96 2zdyA1 ARG 338 HD3 -0.48 0.10 0.09 -0.04 3.22 2.89 2zdyA1 LEU 339 H 0.01 0.46 -0.28 -0.55 8.37 8.02 2zdyA1 LEU 339 HA -0.01 0.02 0.44 -0.75 4.35 4.06 2zdyA1 LEU 339 HB2 -0.21 0.21 0.24 -0.04 1.64 1.83 2zdyA1 LEU 339 HB3 -0.20 -0.07 -0.01 -0.04 1.64 1.32 2zdyA1 LEU 339 HG 0.04 0.30 0.12 -0.04 1.64 2.06 2zdyA1 LEU 339 HD13 0.06 -0.04 -0.01 -0.04 0.93 0.90 2zdyA1 LEU 339 HD23 0.01 -0.03 0.07 -0.04 0.89 0.89 2zdyA1 TYR 340 H -0.04 0.52 -0.09 -0.55 8.29 8.13 2zdyA1 TYR 340 HA 0.01 0.00 0.43 -0.75 4.56 4.25 2zdyA1 TYR 340 HB2 0.06 0.16 0.17 -0.04 3.06 3.41 2zdyA1 TYR 340 HB3 0.14 -0.08 -0.05 -0.04 2.98 2.95 2zdyA1 TYR 340 HD2 -0.33 -0.01 -0.04 -0.04 7.15 6.73 2zdyA1 TYR 340 HE2 -1.04 -0.02 -0.04 -0.04 6.85 5.71 2zdyA1 ALA 341 H 0.22 0.51 -0.20 -0.55 8.40 8.37 2zdyA1 ALA 341 HA 0.28 -0.02 0.37 -0.75 4.34 4.21 2zdyA1 ALA 341 HB3 0.14 0.02 -0.04 -0.04 1.41 1.49 2zdyA1 LYS 342 H 0.13 0.54 -0.25 -0.55 8.42 8.29 2zdyA1 LYS 342 HA 0.11 0.23 0.30 -0.75 4.32 4.21 2zdyA1 LYS 342 HB2 0.05 0.07 0.10 -0.04 1.87 2.05 2zdyA1 LYS 342 HB3 0.05 -0.05 0.06 -0.04 1.79 1.81 2zdyA1 LYS 342 HG2 0.05 0.12 -0.00 -0.04 1.46 1.58 2zdyA1 LYS 342 HG3 0.05 0.17 0.04 -0.04 1.46 1.68 2zdyA1 LYS 342 HD2 -0.03 -0.08 0.02 -0.04 1.69 1.56 2zdyA1 LYS 342 HD3 -0.00 0.01 -0.04 -0.04 1.68 1.61 2zdyA1 LYS 342 HE2 0.01 0.02 0.01 -0.04 2.99 3.00 2zdyA1 LYS 342 HE3 0.00 0.00 0.04 -0.04 2.99 2.99 2zdyA1 TYR 343 H 0.21 0.45 -0.24 -0.55 8.29 8.17 2zdyA1 TYR 343 HA -0.10 0.06 0.40 -0.75 4.56 4.16 2zdyA1 TYR 343 HB2 -0.11 0.08 0.14 -0.04 3.06 3.14 2zdyA1 TYR 343 HB3 -0.01 0.12 0.15 -0.04 2.98 3.20 2zdyA1 TYR 343 HD2 -0.15 0.06 0.06 -0.04 7.15 7.07 2zdyA1 TYR 343 HE2 -0.17 -0.03 -0.04 -0.04 6.85 6.56 2zdyA1 PHE 344 H 0.21 0.21 -0.41 -0.55 8.34 7.79 2zdyA1 PHE 344 HA -0.19 0.33 0.69 -0.75 4.62 4.70 2zdyA1 PHE 344 HB2 0.13 0.01 0.07 -0.04 3.15 3.32 2zdyA1 PHE 344 HB3 0.04 -0.08 0.17 -0.04 3.06 3.14 2zdyA1 PHE 344 HD2 -0.14 0.01 -0.33 -0.04 7.28 6.79 2zdyA1 PHE 344 HE2 -0.14 -0.01 -0.09 -0.04 7.38 7.10 2zdyA1 PHE 344 HZ -0.08 -0.02 -0.11 -0.04 7.32 7.08 2zdyA1 GLN 345 H 0.07 0.70 -0.22 -0.55 8.47 8.48 2zdyA1 GLN 345 HA 0.06 0.07 0.39 -0.75 4.36 4.13 2zdyA1 GLN 345 HB2 0.09 0.15 0.29 -0.04 2.15 2.64 2zdyA1 GLN 345 HB3 0.05 -0.10 0.28 -0.04 2.02 2.22 2zdyA1 GLN 345 HG2 0.08 0.11 -0.18 -0.04 2.40 2.37 2zdyA1 GLN 345 HG3 0.05 0.01 0.10 -0.04 2.39 2.50 2zdyA1 GLN 345 HE21 0.02 -0.11 -0.07 -0.04 6.97 6.77 2zdyA1 GLN 345 HE22 0.02 0.53 -0.23 -0.04 7.69 7.97 2zdyA1 GLY 346 H 0.17 0.16 -0.16 -0.55 8.43 8.05 2zdyA1 GLY 346 HA2 0.12 -0.02 0.71 -0.51 4.01 4.32 2zdyA1 GLY 346 HA3 0.16 0.14 0.54 -0.51 4.01 4.34 2zdyA1 ASP 347 H 0.20 0.50 0.35 -0.55 8.40 8.90 2zdyA1 ASP 347 HA 0.10 0.11 0.32 -0.75 4.63 4.40 2zdyA1 ASP 347 HB2 0.07 0.12 -0.40 -0.04 2.71 2.47 2zdyA1 ASP 347 HB3 0.25 -0.09 -0.12 -0.04 2.70 2.70 2zdyA1 LEU 348 H 0.05 0.28 0.18 -0.55 8.37 8.33 2zdyA1 LEU 348 HA 0.07 0.34 1.00 -0.75 4.35 5.01 2zdyA1 LEU 348 HB2 0.10 -0.01 -0.13 -0.04 1.64 1.56 2zdyA1 LEU 348 HB3 0.11 -0.03 0.09 -0.04 1.64 1.77 2zdyA1 LEU 348 HG 0.05 0.06 -0.03 -0.04 1.64 1.67 2zdyA1 LEU 348 HD13 0.10 -0.01 -0.22 -0.04 0.93 0.77 2zdyA1 LEU 348 HD23 0.20 0.01 -0.27 -0.04 0.89 0.79 2zdyA1 ASN 349 H 0.05 0.58 0.34 -0.55 8.53 8.95 2zdyA1 ASN 349 HA -0.09 0.17 0.93 -0.75 4.76 5.02 2zdyA1 ASN 349 HB2 0.19 -0.02 -0.01 -0.04 2.88 3.00 2zdyA1 ASN 349 HB3 -0.38 0.04 -0.08 -0.04 2.79 2.32 2zdyA1 ASN 349 HD21 0.13 0.02 -0.13 -0.04 7.03 7.01 2zdyA1 ASN 349 HD22 0.42 -0.02 -0.14 -0.04 7.74 7.95 2zdyA1 LEU 350 H -0.08 0.23 0.18 -0.55 8.37 8.14 2zdyA1 LEU 350 HA -0.04 0.29 1.06 -0.75 4.35 4.91 2zdyA1 LEU 350 HB2 0.13 -0.01 0.08 -0.04 1.64 1.80 2zdyA1 LEU 350 HB3 -0.03 -0.04 -0.08 -0.04 1.64 1.45 2zdyA1 LEU 350 HG -0.04 0.03 -0.07 -0.04 1.64 1.52 2zdyA1 LEU 350 HD13 0.01 0.03 -0.12 -0.04 0.93 0.80 2zdyA1 LEU 350 HD23 -0.18 -0.00 -0.10 -0.04 0.89 0.57 2zdyA1 TYR 351 H 0.09 0.74 0.28 -0.55 8.29 8.85 2zdyA1 TYR 351 HA 0.04 0.13 0.77 -0.75 4.56 4.75 2zdyA1 TYR 351 HB2 0.03 -0.03 0.12 -0.04 3.06 3.15 2zdyA1 TYR 351 HB3 0.03 0.03 0.05 -0.04 2.98 3.04 2zdyA1 TYR 351 HD2 0.04 0.01 -0.06 -0.04 7.15 7.10 2zdyA1 TYR 351 HE2 0.07 -0.00 -0.10 -0.04 6.85 6.78 2zdyA1 SER 352 H 0.10 0.22 0.16 -0.55 8.46 8.39 2zdyA1 SER 352 HA 0.07 0.15 1.12 -0.75 4.49 5.08 2zdyA1 SER 352 HB2 0.01 0.02 -0.12 -0.04 3.95 3.82 2zdyA1 SER 352 HB3 0.03 0.13 0.04 -0.04 3.93 4.09 2zdyA1 LEU 353 H 0.07 0.81 0.32 -0.55 8.37 9.02 2zdyA1 LEU 353 HA 0.05 0.16 0.86 -0.75 4.35 4.66 2zdyA1 LEU 353 HB2 0.17 -0.07 0.21 -0.04 1.64 1.90 2zdyA1 LEU 353 HB3 0.06 0.07 0.02 -0.04 1.64 1.74 2zdyA1 LEU 353 HG 0.05 0.05 -0.09 -0.04 1.64 1.60 2zdyA1 LEU 353 HD13 0.11 -0.06 -0.21 -0.04 0.93 0.73 2zdyA1 LEU 353 HD23 -0.00 0.01 -0.06 -0.04 0.89 0.79 2zdyA1 SER 354 H 0.03 0.16 -0.06 -0.55 8.46 8.05 2zdyA1 SER 354 HA 0.01 -0.03 0.11 -0.75 4.49 3.83 2zdyA1 SER 354 HB2 0.02 0.01 -0.24 -0.04 3.95 3.70 2zdyA1 SER 354 HB3 0.02 0.01 0.02 -0.04 3.93 3.94 2zdyA1 GLY 355 H -0.01 0.72 0.20 -0.55 8.43 8.79 2zdyA1 GLY 355 HA2 0.05 0.04 0.36 -0.51 4.01 3.95 2zdyA1 GLY 355 HA3 0.06 0.11 0.76 -0.51 4.01 4.44 2zdyA1 TYR 356 H 0.06 0.23 -0.14 -0.55 8.29 7.89 2zdyA1 TYR 356 HA 0.01 0.23 0.86 -0.75 4.56 4.90 2zdyA1 TYR 356 HB2 0.01 0.04 -0.25 -0.04 3.06 2.82 2zdyA1 TYR 356 HB3 -0.01 -0.01 0.07 -0.04 2.98 2.99 2zdyA1 TYR 356 HD2 0.02 0.03 -0.03 -0.04 7.15 7.13 2zdyA1 TYR 356 HE2 0.02 -0.01 -0.05 -0.04 6.85 6.77 2zdyA1 GLY 357 H 0.08 0.50 0.18 -0.55 8.43 8.65 2zdyA1 GLY 357 HA2 -0.14 -0.22 0.38 -0.51 4.01 3.52 2zdyA1 GLY 357 HA3 -0.17 0.42 0.41 -0.51 4.01 4.15 2zdyA1 THR 358 H -0.03 0.24 0.23 -0.55 8.28 8.17 2zdyA1 THR 358 HA 0.04 0.14 1.13 -0.75 4.39 4.94 2zdyA1 THR 358 HB -0.02 0.01 0.02 -0.04 4.32 4.28 2zdyA1 THR 358 HG23 -0.00 0.02 -0.31 -0.04 1.22 0.89 2zdyA1 ASP 359 H 0.09 0.75 0.41 -0.55 8.40 9.10 2zdyA1 ASP 359 HA 0.05 0.21 0.99 -0.75 4.63 5.13 2zdyA1 ASP 359 HB2 0.15 0.01 0.21 -0.04 2.71 3.04 2zdyA1 ASP 359 HB3 0.09 0.00 -0.04 -0.04 2.70 2.71 2zdyA1 ALA 360 H 0.01 0.81 0.33 -0.55 8.40 9.01 2zdyA1 ALA 360 HA 0.01 0.22 1.06 -0.75 4.34 4.87 2zdyA1 ALA 360 HB3 -0.05 -0.01 0.09 -0.04 1.41 1.41 2zdyA1 ILE 361 H -0.00 0.60 0.33 -0.55 8.25 8.63 2zdyA1 ILE 361 HA -0.12 0.34 1.26 -0.75 4.18 4.91 2zdyA1 ILE 361 HB -0.00 -0.03 -0.25 -0.04 1.89 1.56 2zdyA1 ILE 361 HG12 -1.04 -0.04 -0.34 -0.04 1.49 0.03 2zdyA1 ILE 361 HG13 -0.39 0.10 -0.09 -0.04 1.21 0.80 2zdyA1 ILE 361 HG23 0.15 0.02 -0.02 -0.04 0.93 1.04 2zdyA1 ILE 361 HD13 -0.05 -0.02 -0.15 -0.04 0.88 0.62 2zdyA1 ILE 362 H -0.20 0.68 0.40 -0.55 8.25 8.58 2zdyA1 ILE 362 HA -0.09 0.27 1.11 -0.75 4.18 4.72 2zdyA1 ILE 362 HB -0.10 -0.09 0.18 -0.04 1.89 1.85 2zdyA1 ILE 362 HG12 -0.01 0.05 -0.07 -0.04 1.49 1.42 2zdyA1 ILE 362 HG13 -0.08 -0.04 -0.16 -0.04 1.21 0.89 2zdyA1 ILE 362 HG23 -0.01 0.00 -0.14 -0.04 0.93 0.74 2zdyA1 ILE 362 HD13 -0.05 -0.01 -0.14 -0.04 0.88 0.65 2zdyA1 TYR 363 H 0.08 0.76 0.40 -0.55 8.29 8.99 2zdyA1 TYR 363 HA 0.01 0.25 1.08 -0.75 4.56 5.15 2zdyA1 TYR 363 HB2 0.03 -0.06 0.12 -0.04 3.06 3.11 2zdyA1 TYR 363 HB3 0.02 0.02 -0.02 -0.04 2.98 2.96 2zdyA1 TYR 363 HD2 0.03 0.00 -0.15 -0.04 7.15 6.99 2zdyA1 TYR 363 HE2 0.06 -0.02 -0.16 -0.04 6.85 6.69 2zdyA1 LEU 364 H 0.07 0.71 0.37 -0.55 8.37 8.97 2zdyA1 LEU 364 HA 0.09 0.18 0.92 -0.75 4.35 4.79 2zdyA1 LEU 364 HB2 -0.11 -0.07 0.01 -0.04 1.64 1.43 2zdyA1 LEU 364 HB3 -0.15 0.08 0.06 -0.04 1.64 1.59 2zdyA1 LEU 364 HG -0.09 -0.06 -0.37 -0.04 1.64 1.09 2zdyA1 LEU 364 HD13 -0.52 -0.02 -0.12 -0.04 0.93 0.23 2zdyA1 LEU 364 HD23 -0.03 0.07 -0.05 -0.04 0.89 0.84 2zdyA1 LYS 365 H 0.10 0.25 0.07 -0.55 8.42 8.29 2zdyA1 LYS 365 HA 0.04 0.13 0.72 -0.75 4.32 4.47 2zdyA1 LYS 365 HB2 0.07 0.02 0.08 -0.04 1.87 2.00 2zdyA1 LYS 365 HB3 0.04 -0.11 0.02 -0.04 1.79 1.70 2zdyA1 LYS 365 HG2 0.09 0.18 0.01 -0.04 1.46 1.70 2zdyA1 LYS 365 HG3 0.05 0.09 -0.03 -0.04 1.46 1.53 2zdyA1 LYS 365 HD2 0.04 -0.04 0.08 -0.04 1.69 1.73 2zdyA1 LYS 365 HD3 0.05 0.14 -0.04 -0.04 1.68 1.79 2zdyA1 LYS 365 HE2 0.02 -0.09 0.07 -0.04 2.99 2.94 2zdyA1 LYS 365 HE3 0.01 -0.09 0.00 -0.04 2.99 2.88 2zdyA1 ALA 366 H 0.03 0.75 0.28 -0.55 8.40 8.92 2zdyA1 ALA 366 HA 0.03 0.09 0.48 -0.75 4.34 4.18 2zdyA1 ALA 366 HB3 0.02 -0.01 -0.32 -0.04 1.41 1.06 2zdyA1 LEU 367 H 0.02 0.11 -0.03 -0.55 8.37 7.93 2zdyA1 LEU 367 HA 0.02 0.20 0.92 -0.75 4.35 4.74 2zdyA1 LEU 367 HB2 0.01 0.04 0.16 -0.04 1.64 1.81 2zdyA1 LEU 367 HB3 0.00 -0.18 0.02 -0.04 1.64 1.44 2zdyA1 LEU 367 HG 0.02 -0.00 0.07 -0.04 1.64 1.68 2zdyA1 LEU 367 HD13 0.02 0.05 -0.12 -0.04 0.93 0.84 2zdyA1 LEU 367 HD23 0.01 0.01 0.03 -0.04 0.89 0.89 2zdyA1 SER 368 H -0.01 0.22 0.19 -0.55 8.46 8.31 2zdyA1 SER 368 HA -0.08 0.21 0.40 -0.75 4.49 4.27 2zdyA1 SER 368 HB2 -0.10 -0.05 -0.05 -0.04 3.95 3.71 2zdyA1 SER 368 HB3 -0.06 0.09 0.10 -0.04 3.93 4.01 2zdyA1 SER 369 H -0.02 0.10 -0.11 -0.55 8.46 7.89 2zdyA1 SER 369 HA -0.03 0.02 0.46 -0.75 4.49 4.19 2zdyA1 SER 369 HB2 -0.00 0.08 0.05 -0.04 3.95 4.03 2zdyA1 SER 369 HB3 -0.01 0.01 0.08 -0.04 3.93 3.96 2zdyA1 GLU 370 H -0.01 0.15 -0.48 -0.55 8.60 7.72 2zdyA1 GLU 370 HA 0.01 0.20 0.78 -0.75 4.29 4.53 2zdyA1 GLU 370 HB2 0.01 -0.02 0.09 -0.04 2.09 2.13 2zdyA1 GLU 370 HB3 0.02 0.06 0.14 -0.04 1.99 2.17 2zdyA1 GLU 370 HG2 0.01 0.07 0.02 -0.04 2.34 2.39 2zdyA1 GLU 370 HG3 0.01 -0.10 -0.12 -0.04 2.34 2.08 2zdyA1 SER 371 H -0.03 0.12 -0.36 -0.55 8.46 7.65 2zdyA1 SER 371 HA 0.08 0.37 0.71 -0.75 4.49 4.90 2zdyA1 SER 371 HB2 -0.25 -0.18 0.35 -0.04 3.95 3.83 2zdyA1 SER 371 HB3 -0.23 0.02 0.17 -0.04 3.93 3.84 2zdyA1 ILE 372 H 0.10 0.39 0.01 -0.55 8.25 8.21 2zdyA1 ILE 372 HA 0.12 0.06 0.70 -0.75 4.18 4.30 2zdyA1 ILE 372 HB 0.05 0.04 -0.02 -0.04 1.89 1.91 2zdyA1 ILE 372 HG12 0.03 -0.09 -0.23 -0.04 1.49 1.16 2zdyA1 ILE 372 HG13 0.04 -0.13 -0.59 -0.04 1.21 0.48 2zdyA1 ILE 372 HG23 0.04 0.05 -0.25 -0.04 0.93 0.73 2zdyA1 ILE 372 HD13 0.03 0.02 -0.03 -0.04 0.88 0.86 2zdyA1 GLU 373 H 0.05 0.55 0.23 -0.55 8.60 8.89 2zdyA1 GLU 373 HA -0.63 0.21 0.49 -0.75 4.29 3.60 2zdyA1 GLU 373 HB2 0.02 -0.20 0.19 -0.04 2.09 2.06 2zdyA1 GLU 373 HB3 0.01 0.03 -0.04 -0.04 1.99 1.94 2zdyA1 GLU 373 HG2 -0.44 0.01 0.06 -0.04 2.34 1.92 2zdyA1 GLU 373 HG3 0.04 0.30 0.21 -0.04 2.34 2.85 2zdyA1 LYS 374 H -0.13 0.42 0.37 -0.55 8.42 8.53 2zdyA1 LYS 374 HA 0.02 0.10 0.91 -0.75 4.32 4.59 2zdyA1 LYS 374 HB2 0.01 0.09 0.10 -0.04 1.87 2.03 2zdyA1 LYS 374 HB3 0.04 -0.06 0.16 -0.04 1.79 1.89 2zdyA1 LYS 374 HG2 0.02 -0.05 -0.20 -0.04 1.46 1.19 2zdyA1 LYS 374 HG3 0.02 -0.02 0.01 -0.04 1.46 1.43 2zdyA1 LYS 374 HD2 0.03 0.16 0.01 -0.04 1.69 1.85 2zdyA1 LYS 374 HD3 0.02 -0.07 -0.05 -0.04 1.68 1.54 2zdyA1 LYS 374 HE2 0.02 -0.05 -0.01 -0.04 2.99 2.91 2zdyA1 LYS 374 HE3 0.02 0.03 0.03 -0.04 2.99 3.03 2zdyA1 LEU 375 H 0.03 0.22 0.05 -0.55 8.37 8.13 2zdyA1 LEU 375 HA 0.03 0.19 0.78 -0.75 4.35 4.59 2zdyA1 LEU 375 HB2 0.05 0.00 -0.10 -0.04 1.64 1.55 2zdyA1 LEU 375 HB3 0.04 0.10 -0.06 -0.04 1.64 1.68 2zdyA1 LEU 375 HG 0.06 -0.07 -0.47 -0.04 1.64 1.12 2zdyA1 LEU 375 HD13 0.08 -0.00 -0.29 -0.04 0.93 0.67 2zdyA1 LEU 375 HD23 0.11 0.03 -0.16 -0.04 0.89 0.82 2zdyA1 PRO 376 HA 0.00 0.03 0.59 -0.51 4.44 4.55 2zdyA1 PRO 376 HB2 0.01 0.01 -0.10 -0.04 2.28 2.16 2zdyA1 PRO 376 HB3 -0.05 0.01 0.05 -0.04 2.02 1.99 2zdyA1 PRO 376 HG2 -0.08 0.19 0.15 -0.04 2.03 2.25 2zdyA1 PRO 376 HG3 -0.09 0.01 0.12 -0.04 2.03 2.02 2zdyA1 PRO 376 HD2 -0.02 0.08 0.19 -0.04 3.68 3.88 2zdyA1 PRO 376 HD3 -0.03 0.19 0.20 -0.04 3.65 3.97 2zdyA1 VAL 377 H 0.06 0.17 0.16 -0.55 8.24 8.09 2zdyA1 VAL 377 HA 0.11 0.22 0.63 -0.75 4.13 4.33 2zdyA1 VAL 377 HB 0.07 -0.12 0.06 -0.04 2.12 2.08 2zdyA1 VAL 377 HG13 0.08 0.02 -0.17 -0.04 0.97 0.87 2zdyA1 VAL 377 HG23 0.06 0.04 -0.11 -0.04 0.95 0.89 2zdyA1 PHE 378 H 0.26 0.25 0.05 -0.55 8.34 8.35 2zdyA1 PHE 378 HA 0.15 0.02 0.79 -0.75 4.62 4.83 2zdyA1 PHE 378 HB2 0.11 0.07 0.10 -0.04 3.15 3.39 2zdyA1 PHE 378 HB3 0.08 0.10 0.24 -0.04 3.06 3.43 2zdyA1 PHE 378 HD2 0.14 0.02 -0.07 -0.04 7.28 7.34 2zdyA1 PHE 378 HE2 0.12 0.01 -0.13 -0.04 7.38 7.34 2zdyA1 PHE 378 HZ 0.18 0.01 -0.11 -0.04 7.32 7.35 2zdyA1 ASN 379 H -0.16 0.11 0.17 -0.55 8.53 8.10 2zdyA1 ASN 379 HA -0.20 0.27 0.43 -0.75 4.76 4.51 2zdyA1 ASN 379 HB2 -0.04 -0.19 0.20 -0.04 2.88 2.81 2zdyA1 ASN 379 HB3 -0.01 0.25 -0.06 -0.04 2.79 2.93 2zdyA1 ASN 379 HD21 0.04 0.03 -0.03 -0.04 7.03 7.02 2zdyA1 ASN 379 HD22 0.02 0.10 -0.06 -0.04 7.74 7.75 2zdyA1 LYS 380 H -0.07 0.23 0.14 -0.55 8.42 8.17 2zdyA1 LYS 380 HA -0.05 0.12 0.36 -0.75 4.32 4.01 2zdyA1 LYS 380 HB2 -0.04 0.06 0.14 -0.04 1.87 1.99 2zdyA1 LYS 380 HB3 -0.01 -0.03 0.14 -0.04 1.79 1.84 2zdyA1 LYS 380 HG2 0.04 -0.01 -0.06 -0.04 1.46 1.38 2zdyA1 LYS 380 HG3 -0.00 0.04 0.03 -0.04 1.46 1.49 2zdyA1 LYS 380 HD2 0.01 -0.01 -0.06 -0.04 1.69 1.58 2zdyA1 LYS 380 HD3 0.01 0.02 -0.03 -0.04 1.68 1.65 2zdyA1 LYS 380 HE2 -0.01 0.02 0.02 -0.04 2.99 2.97 2zdyA1 LYS 380 HE3 -0.01 -0.02 0.03 -0.04 2.99 2.95 2zdyA1 SER 381 H 0.01 0.09 -0.12 -0.55 8.46 7.90 2zdyA1 SER 381 HA 0.06 0.10 0.39 -0.75 4.49 4.28 2zdyA1 SER 381 HB2 0.04 0.01 0.09 -0.04 3.95 4.05 2zdyA1 SER 381 HB3 0.06 -0.02 0.08 -0.04 3.93 4.00 2zdyA1 ALA 382 H 0.06 0.03 -0.17 -0.55 8.40 7.77 2zdyA1 ALA 382 HA 0.23 0.07 0.40 -0.75 4.34 4.28 2zdyA1 ALA 382 HB3 0.19 0.01 0.19 -0.04 1.41 1.77 2zdyA1 PHE 383 H 0.11 0.40 -0.33 -0.55 8.34 7.97 2zdyA1 PHE 383 HA 0.26 0.06 0.41 -0.75 4.62 4.60 2zdyA1 PHE 383 HB2 -0.25 0.01 0.04 -0.04 3.15 2.91 2zdyA1 PHE 383 HB3 -0.06 0.06 0.14 -0.04 3.06 3.16 2zdyA1 PHE 383 HD2 0.12 0.00 -0.09 -0.04 7.28 7.27 2zdyA1 PHE 383 HE2 0.06 -0.00 -0.04 -0.04 7.38 7.36 2zdyA1 PHE 383 HZ 0.04 -0.01 -0.02 -0.04 7.32 7.28 2zdyA1 LYS 384 H 0.15 0.56 0.01 -0.55 8.42 8.58 2zdyA1 LYS 384 HA 0.01 -0.01 0.36 -0.75 4.32 3.92 2zdyA1 LYS 384 HB2 0.03 0.16 0.15 -0.04 1.87 2.17 2zdyA1 LYS 384 HB3 -0.03 -0.06 0.04 -0.04 1.79 1.70 2zdyA1 LYS 384 HG2 0.07 -0.05 0.05 -0.04 1.46 1.50 2zdyA1 LYS 384 HG3 0.09 0.23 0.08 -0.04 1.46 1.81 2zdyA1 LYS 384 HD2 0.02 -0.04 -0.02 -0.04 1.69 1.62 2zdyA1 LYS 384 HD3 0.00 -0.01 0.00 -0.04 1.68 1.63 2zdyA1 LYS 384 HE2 0.03 0.00 -0.01 -0.04 2.99 2.97 2zdyA1 LYS 384 HE3 0.03 -0.06 -0.08 -0.04 2.99 2.84 2zdyA1 HIS 385 H 0.06 0.24 -0.80 -0.55 8.41 7.37 2zdyA1 HIS 385 HA -0.24 -0.02 0.23 -0.75 4.63 3.85 2zdyA1 HIS 385 HB2 -0.26 0.09 0.13 -0.04 3.26 3.19 2zdyA1 HIS 385 HB3 -1.00 0.01 -0.03 -0.04 3.20 2.14 2zdyA1 HIS 385 HD2 -0.79 -0.02 0.01 -0.04 6.97 6.12 2zdyA1 HIS 385 HE1 -0.03 -0.04 -0.02 -0.04 7.75 7.62 2zdyA1 TYR 386 H 0.04 0.39 -0.19 -0.55 8.29 7.98 2zdyA1 TYR 386 HA -0.08 0.02 0.37 -0.75 4.56 4.11 2zdyA1 TYR 386 HB2 -0.24 0.12 0.12 -0.04 3.06 3.03 2zdyA1 TYR 386 HB3 -0.09 -0.03 0.08 -0.04 2.98 2.90 2zdyA1 TYR 386 HD2 0.08 0.03 0.05 -0.04 7.15 7.27 2zdyA1 TYR 386 HE2 0.37 -0.04 -0.05 -0.04 6.85 7.08