============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 13 1.000 3.956 -24.593 21.723 -99.200 -91.000 TYR 19 0.840 6.860 -33.256 8.196 -99.200 -91.000 TRP 40 1.040 14.315 -40.566 -4.132 -99.200 -91.000 TRP6 40 1.020 13.685 -42.734 -3.434 -99.200 -91.000 TRP 41 1.040 9.929 -36.084 4.066 -99.200 -91.000 TRP6 41 1.020 9.132 -33.945 3.450 -99.200 -91.000 HIS 45 0.900 21.427 -33.832 12.277 -99.200 -91.000 PHE 57 1.000 21.424 -36.005 -3.489 -99.200 -91.000 PHE 66 1.000 14.497 -27.387 -7.739 -99.200 -91.000 PHE 69 1.000 7.574 -30.165 0.073 -99.200 -91.000 HIS 94 0.900 26.466 -21.051 -3.930 -99.200 -91.000 PHE 105 1.000 25.485 -11.107 5.252 -99.200 -91.000 HIS 123 0.900 11.303 4.191 16.885 -99.200 -91.000 PHE 124 1.000 10.340 -0.105 14.702 -99.200 -91.000 TYR 159 0.840 16.576 7.923 11.511 -99.200 -91.000 HIS 162 0.900 15.853 3.867 9.251 -99.200 -91.000 PHE 164 1.000 9.460 3.851 -0.483 -99.200 -91.000 PHE 165 1.000 14.092 -1.399 2.798 -99.200 -91.000 PHE 185 1.000 8.086 -8.255 -3.689 -99.200 -91.000 TYR 191 0.840 14.694 4.133 -1.265 -99.200 -91.000 PHE 208 1.000 22.137 -0.891 -2.178 -99.200 -91.000 HIS 223 0.900 21.610 0.314 -11.307 -99.200 -91.000 PHE 231 1.000 13.574 -5.726 -4.475 -99.200 -91.000 HIS 238 0.900 10.362 -8.027 6.228 -99.200 -91.000 HIS 255 0.900 8.096 -24.482 26.020 -99.200 -91.000 TYR 279 0.840 10.021 -26.509 20.547 -99.200 -91.000 PHE 280 1.000 8.971 -22.415 17.860 -99.200 -91.000 TRP 317 1.040 11.507 -30.996 16.185 -99.200 -91.000 TRP6 317 1.020 9.887 -31.161 17.902 -99.200 -91.000 PHE 322 1.000 19.557 -31.831 17.399 -99.200 -91.000 HIS 336 0.900 27.373 -31.589 14.144 -99.200 -91.000 HIS 337 0.900 20.514 -24.815 14.077 -99.200 -91.000 PHE 340 1.000 20.470 -19.565 10.931 -99.200 -91.000 PHE 342 1.000 26.515 -29.772 6.798 -99.200 -91.000 HIS 345 0.900 23.269 -23.113 -2.768 -99.200 -91.000 PHE 361 1.000 14.204 -14.250 20.725 -99.200 -91.000 PHE 365 1.000 10.645 -12.287 26.603 -99.200 -91.000 PHE 382 1.000 1.111 -20.714 16.617 -99.200 -91.000 TYR 389 0.840 4.686 -22.994 12.563 -99.200 -91.000 HIS 392 0.900 -1.361 -16.099 9.070 -99.200 -91.000 TRP 398 1.040 3.285 -3.546 28.756 -99.200 -91.000 TRP6 398 1.020 3.154 -3.827 26.414 -99.200 -91.000 HIS 399 0.900 1.174 -4.479 37.049 -99.200 -91.000 HIS 400 0.900 0.734 2.285 33.570 -99.200 -91.000 HIS 401 0.900 5.699 -0.282 37.335 -99.200 -91.000 HIS 402 0.900 0.777 5.035 38.985 -99.200 -91.000 HIS 403 0.900 7.626 2.752 41.061 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2z36A1 ALA 10 HA -0.03 -0.10 0.20 -0.75 4.34 3.65 2z36A1 ALA 10 HB3 -0.03 0.01 0.08 -0.04 1.41 1.42 2z36A1 GLY 11 H -0.03 0.13 0.08 -0.55 8.43 8.06 2z36A1 GLY 11 HA2 -0.05 0.15 0.54 -0.51 4.01 4.15 2z36A1 GLY 11 HA3 -0.04 -0.03 0.33 -0.51 4.01 3.76 2z36A1 LEU 12 H -0.05 -0.11 -0.80 -0.55 8.37 6.86 2z36A1 LEU 12 HA -0.06 -0.04 0.24 -0.75 4.35 3.73 2z36A1 LEU 12 HB2 -0.07 -0.05 -0.03 -0.04 1.64 1.46 2z36A1 LEU 12 HB3 -0.10 0.09 -0.14 -0.04 1.64 1.44 2z36A1 LEU 12 HG -0.11 0.05 -0.42 -0.04 1.64 1.12 2z36A1 LEU 12 HD13 -0.07 -0.02 -0.02 -0.04 0.93 0.78 2z36A1 LEU 12 HD23 -0.11 -0.01 -0.15 -0.04 0.89 0.58 2z36A1 GLU 13 H -0.06 0.11 0.06 -0.55 8.60 8.16 2z36A1 GLU 13 HA -0.07 0.22 0.91 -0.75 4.29 4.59 2z36A1 GLU 13 HB2 -0.03 0.01 -0.28 -0.04 2.09 1.74 2z36A1 GLU 13 HB3 -0.04 0.04 -0.11 -0.04 1.99 1.84 2z36A1 GLU 13 HG2 -0.04 -0.09 0.08 -0.04 2.34 2.25 2z36A1 GLU 13 HG3 -0.04 0.04 0.08 -0.04 2.34 2.38 2z36A1 LEU 14 H -0.10 0.57 0.19 -0.55 8.37 8.48 2z36A1 LEU 14 HA -0.06 0.06 0.33 -0.75 4.35 3.93 2z36A1 LEU 14 HB2 -0.14 0.07 0.01 -0.04 1.64 1.54 2z36A1 LEU 14 HB3 -0.09 -0.07 0.03 -0.04 1.64 1.46 2z36A1 LEU 14 HG -0.38 0.02 -0.15 -0.04 1.64 1.10 2z36A1 LEU 14 HD13 -1.66 0.01 -0.10 -0.04 0.93 -0.87 2z36A1 LEU 14 HD23 -0.36 -0.01 -0.16 -0.04 0.89 0.32 2z36A1 PRO 15 HA 0.22 -0.00 0.33 -0.51 4.44 4.48 2z36A1 PRO 15 HB2 -0.02 0.09 -0.08 -0.04 2.28 2.23 2z36A1 PRO 15 HB3 -0.38 0.02 0.03 -0.04 2.02 1.64 2z36A1 PRO 15 HG2 -0.10 0.01 -0.05 -0.04 2.03 1.85 2z36A1 PRO 15 HG3 -0.33 0.10 0.01 -0.04 2.03 1.78 2z36A1 PRO 15 HD2 -0.05 0.05 0.35 -0.04 3.68 3.98 2z36A1 PRO 15 HD3 -0.22 0.10 0.23 -0.04 3.65 3.72 2z36A1 VAL 16 H 0.12 0.20 0.12 -0.55 8.24 8.12 2z36A1 VAL 16 HA -0.06 0.19 0.88 -0.75 4.13 4.39 2z36A1 VAL 16 HB -0.17 -0.05 0.06 -0.04 2.12 1.92 2z36A1 VAL 16 HG13 -0.19 0.03 -0.06 -0.04 0.97 0.71 2z36A1 VAL 16 HG23 -0.09 -0.01 -0.17 -0.04 0.95 0.64 2z36A1 GLU 17 H -0.08 0.10 0.10 -0.55 8.60 8.18 2z36A1 GLU 17 HA -0.06 0.17 0.44 -0.75 4.29 4.08 2z36A1 GLU 17 HB2 -0.06 -0.09 0.04 -0.04 2.09 1.94 2z36A1 GLU 17 HB3 -0.04 0.11 -0.14 -0.04 1.99 1.88 2z36A1 GLU 17 HG2 -0.02 0.08 0.01 -0.04 2.34 2.36 2z36A1 GLU 17 HG3 -0.04 -0.04 0.03 -0.04 2.34 2.26 2z36A1 ARG 18 H -0.12 0.47 0.25 -0.55 8.46 8.51 2z36A1 ARG 18 HA -0.34 0.01 0.61 -0.75 4.34 3.87 2z36A1 ARG 18 HB2 -0.36 0.04 0.17 -0.04 1.90 1.70 2z36A1 ARG 18 HB3 -0.42 -0.05 0.25 -0.04 1.80 1.54 2z36A1 ARG 18 HG2 -1.87 -0.03 -0.03 -0.04 1.67 -0.30 2z36A1 ARG 18 HG3 -0.71 0.03 -0.19 -0.04 1.67 0.76 2z36A1 ARG 18 HD2 -0.53 0.08 0.03 -0.04 3.22 2.76 2z36A1 ARG 18 HD3 -0.43 -0.06 0.08 -0.04 3.22 2.77 2z36A1 GLY 19 H -0.21 0.15 0.19 -0.55 8.43 8.02 2z36A1 GLY 19 HA2 -0.05 0.10 0.51 -0.51 4.01 4.06 2z36A1 GLY 19 HA3 -0.09 -0.02 0.28 -0.51 4.01 3.67 2z36A1 CYS 20 H -0.21 0.20 0.04 -0.55 8.50 7.98 2z36A1 CYS 20 HA -0.09 0.23 0.88 -0.75 4.58 4.85 2z36A1 CYS 20 HB2 -0.04 -0.02 -0.06 -0.04 2.97 2.81 2z36A1 CYS 20 HB3 -0.12 0.15 0.12 -0.04 2.97 3.07 2z36A1 PRO 21 HA -0.25 0.15 0.49 -0.51 4.44 4.32 2z36A1 PRO 21 HB2 -0.56 0.04 0.06 -0.04 2.28 1.78 2z36A1 PRO 21 HB3 -0.99 -0.00 0.03 -0.04 2.02 1.02 2z36A1 PRO 21 HG2 -1.42 0.05 -0.08 -0.04 2.03 0.54 2z36A1 PRO 21 HG3 -1.03 0.05 0.01 -0.04 2.03 1.02 2z36A1 PRO 21 HD2 -0.13 0.07 0.19 -0.04 3.68 3.77 2z36A1 PRO 21 HD3 -0.44 0.18 0.08 -0.04 3.65 3.44 2z36A1 PHE 22 H -0.10 0.02 -0.51 -0.55 8.34 7.19 2z36A1 PHE 22 HA 0.12 0.27 0.83 -0.75 4.62 5.08 2z36A1 PHE 22 HB2 0.13 -0.06 0.02 -0.04 3.15 3.20 2z36A1 PHE 22 HB3 0.32 0.05 0.17 -0.04 3.06 3.57 2z36A1 PHE 22 HD2 0.28 0.01 -0.03 -0.04 7.28 7.50 2z36A1 PHE 22 HE2 0.29 -0.01 -0.07 -0.04 7.38 7.55 2z36A1 PHE 22 HZ 0.29 -0.01 -0.07 -0.04 7.32 7.49 2z36A1 ALA 23 H -0.27 0.32 -0.25 -0.55 8.40 7.65 2z36A1 ALA 23 HA -0.77 0.15 0.40 -0.75 4.34 3.36 2z36A1 ALA 23 HB3 -0.05 0.02 -0.01 -0.04 1.41 1.32 2z36A1 PRO 24 HA -0.55 0.12 0.55 -0.51 4.44 4.05 2z36A1 PRO 24 HB2 -0.31 -0.04 -0.02 -0.04 2.28 1.87 2z36A1 PRO 24 HB3 -0.75 0.10 0.03 -0.04 2.02 1.36 2z36A1 PRO 24 HG2 -0.46 -0.05 -0.05 -0.04 2.03 1.43 2z36A1 PRO 24 HG3 -0.99 0.12 -0.03 -0.04 2.03 1.09 2z36A1 PRO 24 HD2 -1.33 0.06 0.16 -0.04 3.68 2.54 2z36A1 PRO 24 HD3 -3.25 0.27 0.06 -0.04 3.65 0.69 2z36A1 PRO 25 HA -0.31 -0.00 0.45 -0.51 4.44 4.07 2z36A1 PRO 25 HB2 -1.12 -0.13 0.06 -0.04 2.28 1.05 2z36A1 PRO 25 HB3 -0.47 0.03 0.07 -0.04 2.02 1.61 2z36A1 PRO 25 HG2 -0.90 0.12 -0.03 -0.04 2.03 1.17 2z36A1 PRO 25 HG3 -0.45 0.18 0.05 -0.04 2.03 1.77 2z36A1 PRO 25 HD2 -0.84 0.07 0.14 -0.04 3.68 3.01 2z36A1 PRO 25 HD3 -0.50 0.18 0.24 -0.04 3.65 3.53 2z36A1 ALA 26 H -0.16 0.15 0.20 -0.55 8.40 8.04 2z36A1 ALA 26 HA -0.07 0.14 0.42 -0.75 4.34 4.08 2z36A1 ALA 26 HB3 -0.06 0.01 0.11 -0.04 1.41 1.44 2z36A1 ALA 27 H -0.11 0.07 -0.24 -0.55 8.40 7.58 2z36A1 ALA 27 HA -0.01 0.06 0.28 -0.75 4.34 3.91 2z36A1 ALA 27 HB3 -0.06 0.02 -0.03 -0.04 1.41 1.30 2z36A1 TYR 28 H 0.03 0.33 -0.45 -0.55 8.29 7.65 2z36A1 TYR 28 HA 0.05 0.03 0.34 -0.75 4.56 4.22 2z36A1 TYR 28 HB2 -0.06 0.28 0.02 -0.04 3.06 3.26 2z36A1 TYR 28 HB3 0.06 -0.00 -0.08 -0.04 2.98 2.91 2z36A1 TYR 28 HD2 -0.06 -0.02 -0.14 -0.04 7.15 6.89 2z36A1 TYR 28 HE2 -0.05 -0.03 -0.03 -0.04 6.85 6.70 2z36A1 GLU 29 H 0.09 0.35 -0.08 -0.55 8.60 8.41 2z36A1 GLU 29 HA 0.11 0.06 0.41 -0.75 4.29 4.12 2z36A1 GLU 29 HB2 0.05 0.06 0.13 -0.04 2.09 2.28 2z36A1 GLU 29 HB3 0.08 -0.03 0.05 -0.04 1.99 2.05 2z36A1 GLU 29 HG2 0.00 0.09 0.02 -0.04 2.34 2.41 2z36A1 GLU 29 HG3 0.06 -0.00 0.03 -0.04 2.34 2.38 2z36A1 ARG 30 H 0.04 0.47 -0.13 -0.55 8.46 8.30 2z36A1 ARG 30 HA 0.04 0.01 0.38 -0.75 4.34 4.01 2z36A1 ARG 30 HB2 0.01 0.05 0.03 -0.04 1.90 1.96 2z36A1 ARG 30 HB3 0.01 -0.01 0.05 -0.04 1.80 1.81 2z36A1 ARG 30 HG2 0.02 -0.02 0.00 -0.04 1.67 1.63 2z36A1 ARG 30 HG3 0.01 0.09 0.02 -0.04 1.67 1.76 2z36A1 ARG 30 HD2 0.00 0.01 -0.02 -0.04 3.22 3.16 2z36A1 ARG 30 HD3 -0.00 -0.03 -0.04 -0.04 3.22 3.11 2z36A1 LEU 31 H 0.07 0.35 -0.57 -0.55 8.37 7.68 2z36A1 LEU 31 HA 0.04 0.05 0.54 -0.75 4.35 4.22 2z36A1 LEU 31 HB2 0.09 0.18 0.21 -0.04 1.64 2.09 2z36A1 LEU 31 HB3 0.12 -0.05 -0.06 -0.04 1.64 1.61 2z36A1 LEU 31 HG -0.03 0.00 -0.04 -0.04 1.64 1.53 2z36A1 LEU 31 HD13 -0.28 -0.04 -0.17 -0.04 0.93 0.41 2z36A1 LEU 31 HD23 -0.03 -0.00 -0.04 -0.04 0.89 0.78 2z36A1 ARG 32 H 0.10 0.45 0.02 -0.55 8.46 8.47 2z36A1 ARG 32 HA 0.07 0.14 0.41 -0.75 4.34 4.21 2z36A1 ARG 32 HB2 0.10 0.07 0.12 -0.04 1.90 2.14 2z36A1 ARG 32 HB3 0.08 0.04 0.04 -0.04 1.80 1.92 2z36A1 ARG 32 HG2 0.05 -0.07 -0.10 -0.04 1.67 1.51 2z36A1 ARG 32 HG3 0.06 -0.05 -0.33 -0.04 1.67 1.30 2z36A1 ARG 32 HD2 0.07 -0.05 -0.05 -0.04 3.22 3.15 2z36A1 ARG 32 HD3 0.07 -0.17 -0.02 -0.04 3.22 3.07 2z36A1 GLU 33 H 0.06 0.56 -0.14 -0.55 8.60 8.53 2z36A1 GLU 33 HA 0.04 -0.04 0.31 -0.75 4.29 3.85 2z36A1 GLU 33 HB2 0.03 0.12 0.03 -0.04 2.09 2.23 2z36A1 GLU 33 HB3 0.03 -0.07 0.03 -0.04 1.99 1.94 2z36A1 GLU 33 HG2 0.05 -0.08 0.01 -0.04 2.34 2.27 2z36A1 GLU 33 HG3 0.06 0.43 0.06 -0.04 2.34 2.85 2z36A1 ARG 34 H 0.04 0.21 -0.71 -0.55 8.46 7.44 2z36A1 ARG 34 HA 0.03 -0.01 0.52 -0.75 4.34 4.13 2z36A1 ARG 34 HB2 0.03 0.06 0.14 -0.04 1.90 2.09 2z36A1 ARG 34 HB3 0.04 0.19 0.17 -0.04 1.80 2.16 2z36A1 ARG 34 HG2 0.04 -0.03 -0.08 -0.04 1.67 1.56 2z36A1 ARG 34 HG3 0.03 -0.06 0.06 -0.04 1.67 1.65 2z36A1 ARG 34 HD2 0.02 -0.04 0.02 -0.04 3.22 3.18 2z36A1 ARG 34 HD3 0.02 0.04 0.03 -0.04 3.22 3.27 2z36A1 ALA 35 H 0.05 0.55 0.06 -0.55 8.40 8.51 2z36A1 ALA 35 HA 0.02 0.06 0.45 -0.75 4.34 4.12 2z36A1 ALA 35 HB3 0.04 0.03 -0.02 -0.04 1.41 1.43 2z36A1 PRO 36 HA 0.00 -0.01 0.59 -0.51 4.44 4.51 2z36A1 PRO 36 HB2 -0.04 0.04 0.12 -0.04 2.28 2.36 2z36A1 PRO 36 HB3 -0.03 -0.16 0.17 -0.04 2.02 1.96 2z36A1 PRO 36 HG2 -0.02 0.01 0.11 -0.04 2.03 2.09 2z36A1 PRO 36 HG3 -0.01 0.04 0.09 -0.04 2.03 2.12 2z36A1 PRO 36 HD2 -0.00 0.23 0.29 -0.04 3.68 4.15 2z36A1 PRO 36 HD3 0.01 0.20 0.24 -0.04 3.65 4.06 2z36A1 ILE 37 H 0.02 0.30 -0.06 -0.55 8.25 7.96 2z36A1 ILE 37 HA 0.06 0.29 0.90 -0.75 4.18 4.68 2z36A1 ILE 37 HB -0.07 0.07 0.01 -0.04 1.89 1.85 2z36A1 ILE 37 HG12 -0.10 0.03 -0.18 -0.04 1.49 1.19 2z36A1 ILE 37 HG13 -0.08 -0.19 -0.49 -0.04 1.21 0.41 2z36A1 ILE 37 HG23 0.02 -0.01 -0.28 -0.04 0.93 0.62 2z36A1 ILE 37 HD13 -0.19 0.02 -0.26 -0.04 0.88 0.41 2z36A1 ASN 38 H 0.26 0.53 0.25 -0.55 8.53 9.01 2z36A1 ASN 38 HA 0.24 0.16 0.87 -0.75 4.76 5.28 2z36A1 ASN 38 HB2 0.15 -0.03 0.00 -0.04 2.88 2.96 2z36A1 ASN 38 HB3 0.08 0.09 -0.03 -0.04 2.79 2.89 2z36A1 ASN 38 HD21 0.09 0.46 0.02 -0.04 7.03 7.55 2z36A1 ASN 38 HD22 0.14 -0.12 -0.13 -0.04 7.74 7.59 2z36A1 LYS 39 H 0.16 0.17 0.13 -0.55 8.42 8.33 2z36A1 LYS 39 HA -0.30 0.10 0.70 -0.75 4.32 4.07 2z36A1 LYS 39 HB2 -1.10 -0.05 0.03 -0.04 1.87 0.71 2z36A1 LYS 39 HB3 -0.22 -0.00 0.14 -0.04 1.79 1.67 2z36A1 LYS 39 HG2 -0.32 0.05 -0.25 -0.04 1.46 0.90 2z36A1 LYS 39 HG3 -0.69 0.01 -0.08 -0.04 1.46 0.67 2z36A1 LYS 39 HD2 -0.34 -0.02 -0.04 -0.04 1.69 1.26 2z36A1 LYS 39 HD3 -0.37 0.01 -0.07 -0.04 1.68 1.21 2z36A1 LYS 39 HE2 -1.31 -0.01 -0.10 -0.04 2.99 1.53 2z36A1 LYS 39 HE3 -1.88 -0.03 -0.05 -0.04 2.99 0.99 2z36A1 VAL 40 H -0.14 0.69 0.38 -0.55 8.24 8.61 2z36A1 VAL 40 HA -0.12 0.29 1.06 -0.75 4.13 4.61 2z36A1 VAL 40 HB -0.21 -0.00 0.08 -0.04 2.12 1.95 2z36A1 VAL 40 HG13 -0.20 0.02 -0.25 -0.04 0.97 0.49 2z36A1 VAL 40 HG23 -0.09 0.01 -0.15 -0.04 0.95 0.68 2z36A1 ARG 41 H -0.12 0.35 0.24 -0.55 8.46 8.38 2z36A1 ARG 41 HA -0.08 0.15 0.74 -0.75 4.34 4.40 2z36A1 ARG 41 HB2 -0.08 0.41 0.23 -0.04 1.90 2.43 2z36A1 ARG 41 HB3 -0.06 -0.14 -0.03 -0.04 1.80 1.53 2z36A1 ARG 41 HG2 -0.07 -0.06 0.03 -0.04 1.67 1.53 2z36A1 ARG 41 HG3 -0.05 0.04 0.02 -0.04 1.67 1.63 2z36A1 ARG 41 HD2 -0.04 -0.05 -0.02 -0.04 3.22 3.08 2z36A1 ARG 41 HD3 -0.04 -0.01 0.13 -0.04 3.22 3.25 2z36A1 LEU 42 H -0.03 0.54 0.01 -0.55 8.37 8.35 2z36A1 LEU 42 HA 0.06 0.35 0.91 -0.75 4.35 4.91 2z36A1 LEU 42 HB2 0.02 0.01 -0.42 -0.04 1.64 1.21 2z36A1 LEU 42 HB3 0.06 -0.18 -0.17 -0.04 1.64 1.31 2z36A1 LEU 42 HG 0.29 0.07 -0.16 -0.04 1.64 1.80 2z36A1 LEU 42 HD13 0.04 0.03 -0.37 -0.04 0.93 0.59 2z36A1 LEU 42 HD23 0.09 -0.02 -0.26 -0.04 0.89 0.65 2z36A1 THR 43 H 0.04 0.97 0.19 -0.55 8.28 8.93 2z36A1 THR 43 HA -0.01 0.03 0.31 -0.75 4.39 3.97 2z36A1 THR 43 HB -0.01 -0.01 0.10 -0.04 4.32 4.36 2z36A1 THR 43 HG23 -0.02 -0.02 -0.11 -0.04 1.22 1.03 2z36A1 SER 44 H 0.04 0.13 -0.23 -0.55 8.46 7.85 2z36A1 SER 44 HA 0.01 0.02 0.35 -0.75 4.49 4.12 2z36A1 SER 44 HB2 0.04 -0.06 0.14 -0.04 3.95 4.02 2z36A1 SER 44 HB3 0.03 0.15 0.16 -0.04 3.93 4.23 2z36A1 GLY 45 H 0.01 0.73 -0.79 -0.55 8.43 7.84 2z36A1 GLY 45 HA2 -0.00 0.02 0.35 -0.51 4.01 3.87 2z36A1 GLY 45 HA3 0.00 0.11 0.90 -0.51 4.01 4.51 2z36A1 GLY 46 H 0.02 -0.00 -0.24 -0.55 8.43 7.66 2z36A1 GLY 46 HA2 -0.01 0.11 0.41 -0.51 4.01 4.01 2z36A1 GLY 46 HA3 -0.00 -0.04 0.37 -0.51 4.01 3.83 2z36A1 GLN 47 H -0.05 0.33 0.23 -0.55 8.47 8.43 2z36A1 GLN 47 HA -0.10 0.20 0.68 -0.75 4.36 4.39 2z36A1 GLN 47 HB2 -0.12 -0.08 0.01 -0.04 2.15 1.92 2z36A1 GLN 47 HB3 -0.21 0.00 0.01 -0.04 2.02 1.78 2z36A1 GLN 47 HG2 -0.10 0.08 0.21 -0.04 2.40 2.55 2z36A1 GLN 47 HG3 -0.08 0.01 -0.16 -0.04 2.39 2.12 2z36A1 GLN 47 HE21 -0.10 -0.05 -0.06 -0.04 6.97 6.72 2z36A1 GLN 47 HE22 -0.10 0.04 -0.08 -0.04 7.69 7.51 2z36A1 ALA 48 H -0.18 0.56 0.26 -0.55 8.40 8.49 2z36A1 ALA 48 HA -0.28 0.10 0.62 -0.75 4.34 4.03 2z36A1 ALA 48 HB3 -0.05 0.03 -0.18 -0.04 1.41 1.16 2z36A1 TRP 49 H 0.05 0.70 0.35 -0.55 7.97 8.52 2z36A1 TRP 49 HA 0.02 0.13 0.64 -0.75 4.62 4.67 2z36A1 TRP 49 HB2 -0.06 -0.02 0.18 -0.04 3.23 3.29 2z36A1 TRP 49 HB3 -0.04 -0.03 -0.08 -0.04 3.23 3.05 2z36A1 TRP 49 HD1 0.02 0.12 -0.09 -0.04 7.22 7.23 2z36A1 TRP 49 HE1 0.02 -0.04 0.01 -0.04 10.20 10.15 2z36A1 TRP 49 HE3 0.01 0.00 -0.42 -0.04 7.59 7.14 2z36A1 TRP 49 HZ2 0.01 0.03 -0.02 -0.04 7.44 7.43 2z36A1 TRP 49 HZ3 0.01 0.01 -0.12 -0.04 7.13 6.99 2z36A1 TRP 49 HH2 0.01 0.01 -0.05 -0.04 7.19 7.12 2z36A1 TRP 50 H 0.37 0.67 0.32 -0.55 7.97 8.79 2z36A1 TRP 50 HA -0.13 0.27 1.00 -0.75 4.62 5.01 2z36A1 TRP 50 HB2 -0.12 -0.01 -0.06 -0.04 3.23 3.00 2z36A1 TRP 50 HB3 -0.05 0.03 0.19 -0.04 3.23 3.35 2z36A1 TRP 50 HD1 -0.12 -0.02 -0.24 -0.04 7.22 6.79 2z36A1 TRP 50 HE1 -0.47 -0.03 -0.11 -0.04 10.20 9.55 2z36A1 TRP 50 HE3 -0.40 0.02 -0.12 -0.04 7.59 7.05 2z36A1 TRP 50 HZ2 -1.09 -0.04 -0.06 -0.04 7.44 6.20 2z36A1 TRP 50 HZ3 -1.27 -0.00 -0.12 -0.04 7.13 5.70 2z36A1 TRP 50 HH2 0.11 -0.03 -0.07 -0.04 7.19 7.16 2z36A1 VAL 51 H -0.44 0.67 0.26 -0.55 8.24 8.18 2z36A1 VAL 51 HA -0.12 0.17 0.85 -0.75 4.13 4.28 2z36A1 VAL 51 HB -0.35 -0.08 0.16 -0.04 2.12 1.81 2z36A1 VAL 51 HG13 -0.20 0.01 -0.32 -0.04 0.97 0.43 2z36A1 VAL 51 HG23 -0.24 0.01 -0.18 -0.04 0.95 0.50 2z36A1 SER 52 H -0.05 0.78 0.43 -0.55 8.46 9.07 2z36A1 SER 52 HA -0.15 0.10 0.83 -0.75 4.49 4.51 2z36A1 SER 52 HB2 0.06 0.12 0.05 -0.04 3.95 4.15 2z36A1 SER 52 HB3 0.08 -0.04 0.02 -0.04 3.93 3.96 2z36A1 GLY 53 H -0.05 0.28 0.30 -0.55 8.43 8.42 2z36A1 GLY 53 HA2 0.01 0.14 0.53 -0.51 4.01 4.19 2z36A1 GLY 53 HA3 -0.02 -0.06 0.38 -0.51 4.01 3.80 2z36A1 HIS 54 H 0.08 0.19 0.22 -0.55 8.41 8.36 2z36A1 HIS 54 HA -0.07 0.11 0.44 -0.75 4.63 4.36 2z36A1 HIS 54 HB2 -0.05 0.25 0.27 -0.04 3.26 3.69 2z36A1 HIS 54 HB3 -0.11 -0.11 0.14 -0.04 3.20 3.08 2z36A1 HIS 54 HD2 0.11 0.28 -0.06 -0.04 6.97 7.25 2z36A1 HIS 54 HE1 -0.17 -0.04 -0.05 -0.04 7.75 7.44 2z36A1 GLU 55 H 0.04 0.12 -0.03 -0.55 8.60 8.18 2z36A1 GLU 55 HA -0.02 0.14 0.37 -0.75 4.29 4.03 2z36A1 GLU 55 HB2 -0.02 0.04 0.10 -0.04 2.09 2.17 2z36A1 GLU 55 HB3 -0.04 -0.02 -0.01 -0.04 1.99 1.87 2z36A1 GLU 55 HG2 -0.04 0.04 -0.00 -0.04 2.34 2.29 2z36A1 GLU 55 HG3 -0.06 -0.02 -0.03 -0.04 2.34 2.19 2z36A1 GLU 56 H -0.08 0.06 -0.35 -0.55 8.60 7.69 2z36A1 GLU 56 HA -0.11 0.03 0.37 -0.75 4.29 3.82 2z36A1 GLU 56 HB2 -0.11 0.12 -0.00 -0.04 2.09 2.06 2z36A1 GLU 56 HB3 -0.14 0.02 -0.08 -0.04 1.99 1.76 2z36A1 GLU 56 HG2 -0.08 0.04 -0.02 -0.04 2.34 2.24 2z36A1 GLU 56 HG3 -0.08 -0.05 -0.00 -0.04 2.34 2.17 2z36A1 ALA 57 H -0.18 0.42 -0.39 -0.55 8.40 7.71 2z36A1 ALA 57 HA -0.23 -0.02 0.29 -0.75 4.34 3.63 2z36A1 ALA 57 HB3 -0.26 0.08 -0.01 -0.04 1.41 1.17 2z36A1 ARG 58 H -0.34 0.47 -0.17 -0.55 8.46 7.87 2z36A1 ARG 58 HA -0.58 0.03 0.29 -0.75 4.34 3.32 2z36A1 ARG 58 HB2 -0.42 0.08 0.08 -0.04 1.90 1.60 2z36A1 ARG 58 HB3 -1.15 -0.05 -0.04 -0.04 1.80 0.52 2z36A1 ARG 58 HG2 -0.86 -0.00 -0.05 -0.04 1.67 0.71 2z36A1 ARG 58 HG3 -0.57 0.11 0.03 -0.04 1.67 1.20 2z36A1 ARG 58 HD2 0.04 0.02 -0.11 -0.04 3.22 3.14 2z36A1 ARG 58 HD3 -0.25 -0.05 -0.01 -0.04 3.22 2.87 2z36A1 ALA 59 H -0.20 0.45 -0.27 -0.55 8.40 7.84 2z36A1 ALA 59 HA -0.05 -0.02 0.28 -0.75 4.34 3.80 2z36A1 ALA 59 HB3 -0.08 0.04 0.10 -0.04 1.41 1.43 2z36A1 VAL 60 H -0.17 0.61 -0.09 -0.55 8.24 8.04 2z36A1 VAL 60 HA -0.02 -0.03 0.43 -0.75 4.13 3.76 2z36A1 VAL 60 HB -0.33 0.08 0.06 -0.04 2.12 1.89 2z36A1 VAL 60 HG13 -0.92 0.00 -0.21 -0.04 0.97 -0.20 2z36A1 VAL 60 HG23 -0.60 -0.01 -0.06 -0.04 0.95 0.24 2z36A1 LEU 61 H -0.09 0.51 -0.11 -0.55 8.37 8.14 2z36A1 LEU 61 HA 0.05 0.05 0.31 -0.75 4.35 4.01 2z36A1 LEU 61 HB2 0.07 0.04 0.04 -0.04 1.64 1.75 2z36A1 LEU 61 HB3 0.16 0.17 0.08 -0.04 1.64 2.01 2z36A1 LEU 61 HG -0.09 0.05 0.06 -0.04 1.64 1.63 2z36A1 LEU 61 HD13 0.01 -0.07 -0.07 -0.04 0.93 0.76 2z36A1 LEU 61 HD23 0.00 -0.00 0.00 -0.04 0.89 0.85 2z36A1 ALA 62 H 0.11 0.33 -0.67 -0.55 8.40 7.63 2z36A1 ALA 62 HA 0.16 0.04 0.79 -0.75 4.34 4.58 2z36A1 ALA 62 HB3 0.33 -0.02 -0.00 -0.04 1.41 1.67 2z36A1 ASP 63 H 0.16 0.38 -0.06 -0.55 8.40 8.33 2z36A1 ASP 63 HA 0.09 -0.03 0.65 -0.75 4.63 4.58 2z36A1 ASP 63 HB2 0.17 0.18 0.14 -0.04 2.71 3.16 2z36A1 ASP 63 HB3 0.47 0.06 0.25 -0.04 2.70 3.44 2z36A1 GLY 64 H 0.05 0.18 0.21 -0.55 8.43 8.32 2z36A1 GLY 64 HA2 0.07 0.16 0.28 -0.51 4.01 4.00 2z36A1 GLY 64 HA3 0.03 -0.03 0.33 -0.51 4.01 3.82 2z36A1 ARG 65 H -0.07 0.05 -0.52 -0.55 8.46 7.37 2z36A1 ARG 65 HA -0.12 0.06 0.42 -0.75 4.34 3.94 2z36A1 ARG 65 HB2 -0.43 0.04 -0.06 -0.04 1.90 1.41 2z36A1 ARG 65 HB3 -0.41 -0.05 -0.01 -0.04 1.80 1.29 2z36A1 ARG 65 HG2 -0.12 0.01 -0.02 -0.04 1.67 1.49 2z36A1 ARG 65 HG3 -0.10 -0.05 -0.03 -0.04 1.67 1.44 2z36A1 ARG 65 HD2 -0.17 0.03 -0.09 -0.04 3.22 2.96 2z36A1 ARG 65 HD3 -0.09 0.00 -0.02 -0.04 3.22 3.07 2z36A1 PHE 66 H 0.05 0.56 -0.43 -0.55 8.34 7.97 2z36A1 PHE 66 HA 0.01 0.05 0.61 -0.75 4.62 4.54 2z36A1 PHE 66 HB2 0.01 0.29 0.12 -0.04 3.15 3.52 2z36A1 PHE 66 HB3 -0.01 -0.02 -0.08 -0.04 3.06 2.91 2z36A1 PHE 66 HD2 -0.02 0.13 -0.04 -0.04 7.28 7.31 2z36A1 PHE 66 HE2 -0.06 -0.01 -0.12 -0.04 7.38 7.15 2z36A1 PHE 66 HZ -0.11 -0.03 -0.15 -0.04 7.32 6.99 2z36A1 SER 67 H 0.09 0.37 0.02 -0.55 8.46 8.38 2z36A1 SER 67 HA 0.12 0.04 0.38 -0.75 4.49 4.28 2z36A1 SER 67 HB2 0.07 0.01 0.12 -0.04 3.95 4.11 2z36A1 SER 67 HB3 0.12 0.22 0.15 -0.04 3.93 4.37 2z36A1 SER 68 H 0.13 0.05 0.07 -0.55 8.46 8.17 2z36A1 SER 68 HA 0.30 0.28 0.82 -0.75 4.49 5.14 2z36A1 SER 68 HB2 -0.05 -0.04 -0.10 -0.04 3.95 3.71 2z36A1 SER 68 HB3 -0.11 0.17 0.19 -0.04 3.93 4.13 2z36A1 ASP 69 H 0.13 -0.05 -0.11 -0.55 8.40 7.82 2z36A1 ASP 69 HA -0.04 0.44 0.59 -0.75 4.63 4.87 2z36A1 ASP 69 HB2 0.05 -0.10 0.07 -0.04 2.71 2.69 2z36A1 ASP 69 HB3 0.07 -0.01 0.13 -0.04 2.70 2.85 2z36A1 LYS 70 H -0.23 0.27 0.28 -0.55 8.42 8.18 2z36A1 LYS 70 HA -0.74 0.13 0.40 -0.75 4.32 3.35 2z36A1 LYS 70 HB2 -0.25 -0.01 0.09 -0.04 1.87 1.66 2z36A1 LYS 70 HB3 -0.29 0.02 0.06 -0.04 1.79 1.53 2z36A1 LYS 70 HG2 -0.38 -0.05 0.01 -0.04 1.46 1.01 2z36A1 LYS 70 HG3 -1.35 0.03 -0.02 -0.04 1.46 0.07 2z36A1 LYS 70 HD2 -0.55 0.18 0.11 -0.04 1.69 1.38 2z36A1 LYS 70 HD3 -0.27 -0.11 0.11 -0.04 1.68 1.38 2z36A1 LYS 70 HE2 -0.19 -0.11 -0.00 -0.04 2.99 2.64 2z36A1 LYS 70 HE3 -0.38 0.00 0.00 -0.04 2.99 2.57 2z36A1 ARG 71 H -0.05 0.01 -0.42 -0.55 8.46 7.44 2z36A1 ARG 71 HA -0.02 0.16 0.45 -0.75 4.34 4.18 2z36A1 ARG 71 HB2 0.00 -0.06 -0.01 -0.04 1.90 1.79 2z36A1 ARG 71 HB3 0.00 -0.01 0.08 -0.04 1.80 1.84 2z36A1 ARG 71 HG2 -0.02 0.09 0.00 -0.04 1.67 1.70 2z36A1 ARG 71 HG3 -0.03 -0.04 -0.02 -0.04 1.67 1.53 2z36A1 ARG 71 HD2 0.00 -0.03 0.01 -0.04 3.22 3.17 2z36A1 ARG 71 HD3 -0.00 0.07 0.02 -0.04 3.22 3.27 2z36A1 LYS 72 H 0.05 0.30 -0.50 -0.55 8.42 7.72 2z36A1 LYS 72 HA 0.06 0.05 0.69 -0.75 4.32 4.36 2z36A1 LYS 72 HB2 0.17 0.13 0.02 -0.04 1.87 2.14 2z36A1 LYS 72 HB3 0.09 0.06 -0.05 -0.04 1.79 1.85 2z36A1 LYS 72 HG2 0.06 -0.01 -0.07 -0.04 1.46 1.39 2z36A1 LYS 72 HG3 0.07 -0.09 -0.06 -0.04 1.46 1.33 2z36A1 LYS 72 HD2 0.11 -0.01 0.01 -0.04 1.69 1.76 2z36A1 LYS 72 HD3 0.07 0.05 -0.02 -0.04 1.68 1.75 2z36A1 LYS 72 HE2 0.06 -0.08 0.02 -0.04 2.99 2.94 2z36A1 LYS 72 HE3 0.05 -0.02 0.03 -0.04 2.99 3.01 2z36A1 ASP 73 H 0.05 0.09 0.15 -0.55 8.40 8.14 2z36A1 ASP 73 HA 0.06 0.03 0.40 -0.75 4.63 4.38 2z36A1 ASP 73 HB2 0.04 -0.04 0.17 -0.04 2.71 2.85 2z36A1 ASP 73 HB3 0.04 0.04 -0.03 -0.04 2.70 2.70 2z36A1 GLY 74 H 0.08 0.11 0.15 -0.55 8.43 8.23 2z36A1 GLY 74 HA2 0.05 -0.05 0.31 -0.51 4.01 3.81 2z36A1 GLY 74 HA3 0.06 0.25 0.68 -0.51 4.01 4.48 2z36A1 PHE 75 H 0.22 0.39 -0.21 -0.55 8.34 8.19 2z36A1 PHE 75 HA 0.05 0.03 0.19 -0.75 4.62 4.13 2z36A1 PHE 75 HB2 0.03 0.16 0.03 -0.04 3.15 3.33 2z36A1 PHE 75 HB3 0.03 -0.06 -0.02 -0.04 3.06 2.97 2z36A1 PHE 75 HD2 0.04 0.04 -0.33 -0.04 7.28 7.00 2z36A1 PHE 75 HE2 0.04 -0.08 -0.18 -0.04 7.38 7.12 2z36A1 PHE 75 HZ 0.01 0.14 -0.06 -0.04 7.32 7.37 2z36A1 PRO 76 HA 0.02 0.02 0.43 -0.51 4.44 4.39 2z36A1 PRO 76 HB2 -0.02 -0.08 -0.08 -0.04 2.28 2.06 2z36A1 PRO 76 HB3 -0.10 0.01 0.08 -0.04 2.02 1.97 2z36A1 PRO 76 HG2 -0.55 -0.03 0.02 -0.04 2.03 1.43 2z36A1 PRO 76 HG3 -0.38 0.09 0.06 -0.04 2.03 1.76 2z36A1 PRO 76 HD2 -1.67 0.07 -0.03 -0.04 3.68 2.00 2z36A1 PRO 76 HD3 -0.38 0.16 0.16 -0.04 3.65 3.55 2z36A1 LEU 77 H 0.10 0.13 0.04 -0.55 8.37 8.10 2z36A1 LEU 77 HA 0.17 0.14 0.67 -0.75 4.35 4.58 2z36A1 LEU 77 HB2 0.08 -0.09 0.15 -0.04 1.64 1.74 2z36A1 LEU 77 HB3 0.08 0.15 0.16 -0.04 1.64 1.98 2z36A1 LEU 77 HG 0.10 0.08 -0.05 -0.04 1.64 1.72 2z36A1 LEU 77 HD13 0.05 -0.03 -0.04 -0.04 0.93 0.87 2z36A1 LEU 77 HD23 0.09 0.03 -0.18 -0.04 0.89 0.80 2z36A1 PHE 78 H 0.28 0.31 -0.42 -0.55 8.34 7.95 2z36A1 PHE 78 HA 0.07 0.12 0.57 -0.75 4.62 4.62 2z36A1 PHE 78 HB2 0.07 -0.03 -0.07 -0.04 3.15 3.09 2z36A1 PHE 78 HB3 0.09 -0.01 0.08 -0.04 3.06 3.18 2z36A1 PHE 78 HD2 0.10 0.11 -0.10 -0.04 7.28 7.35 2z36A1 PHE 78 HE2 0.16 -0.08 -0.18 -0.04 7.38 7.24 2z36A1 PHE 78 HZ 0.40 -0.09 -0.04 -0.04 7.32 7.56 2z36A1 THR 79 H 0.23 0.17 0.05 -0.55 8.28 8.18 2z36A1 THR 79 HA -0.12 0.20 0.72 -0.75 4.39 4.44 2z36A1 THR 79 HB 0.04 -0.04 0.15 -0.04 4.32 4.43 2z36A1 THR 79 HG23 0.08 0.01 -0.16 -0.04 1.22 1.10 2z36A1 LEU 80 H 0.10 0.05 -0.50 -0.55 8.37 7.47 2z36A1 LEU 80 HA 0.04 0.14 0.92 -0.75 4.35 4.70 2z36A1 LEU 80 HB2 0.15 0.02 0.05 -0.04 1.64 1.82 2z36A1 LEU 80 HB3 0.07 0.04 -0.07 -0.04 1.64 1.63 2z36A1 LEU 80 HG 0.14 -0.07 -0.22 -0.04 1.64 1.44 2z36A1 LEU 80 HD13 0.07 0.04 -0.06 -0.04 0.93 0.94 2z36A1 LEU 80 HD23 0.02 0.02 -0.08 -0.04 0.89 0.81 2z36A1 ASP 81 H 0.02 0.05 0.09 -0.55 8.40 8.00 2z36A1 ASP 81 HA 0.01 0.26 0.51 -0.75 4.63 4.66 2z36A1 ASP 81 HB2 0.00 -0.08 0.15 -0.04 2.71 2.74 2z36A1 ASP 81 HB3 0.00 -0.31 0.24 -0.04 2.70 2.58 2z36A1 ALA 82 H 0.01 0.15 0.22 -0.55 8.40 8.23 2z36A1 ALA 82 HA 0.03 0.24 0.61 -0.75 4.34 4.47 2z36A1 ALA 82 HB3 0.01 0.04 0.12 -0.04 1.41 1.54 2z36A1 ALA 83 H 0.00 0.03 0.13 -0.55 8.40 8.01 2z36A1 ALA 83 HA -0.01 0.17 0.43 -0.75 4.34 4.18 2z36A1 ALA 83 HB3 -0.01 0.03 0.07 -0.04 1.41 1.46 2z36A1 THR 84 H -0.00 -0.06 -0.27 -0.55 8.28 7.41 2z36A1 THR 84 HA -0.02 0.14 0.42 -0.75 4.39 4.18 2z36A1 THR 84 HB 0.01 -0.21 0.10 -0.04 4.32 4.18 2z36A1 THR 84 HG23 -0.00 0.07 -0.01 -0.04 1.22 1.23 2z36A1 LEU 85 H 0.01 0.18 -0.65 -0.55 8.37 7.36 2z36A1 LEU 85 HA -0.03 0.08 0.39 -0.75 4.35 4.04 2z36A1 LEU 85 HB2 0.04 0.19 0.07 -0.04 1.64 1.90 2z36A1 LEU 85 HB3 0.02 0.06 0.02 -0.04 1.64 1.70 2z36A1 LEU 85 HG 0.04 0.01 -0.05 -0.04 1.64 1.60 2z36A1 LEU 85 HD13 0.07 -0.00 -0.06 -0.04 0.93 0.90 2z36A1 LEU 85 HD23 -0.03 0.02 -0.06 -0.04 0.89 0.79 2z36A1 GLN 86 H -0.00 0.38 -0.25 -0.55 8.47 8.05 2z36A1 GLN 86 HA -0.01 0.08 0.32 -0.75 4.36 3.99 2z36A1 GLN 86 HB2 -0.00 0.02 0.07 -0.04 2.15 2.20 2z36A1 GLN 86 HB3 -0.01 0.00 0.12 -0.04 2.02 2.10 2z36A1 GLN 86 HG2 -0.01 0.02 -0.29 -0.04 2.40 2.08 2z36A1 GLN 86 HG3 -0.01 0.02 -0.01 -0.04 2.39 2.35 2z36A1 GLN 86 HE21 -0.01 -0.04 -0.04 -0.04 6.97 6.85 2z36A1 GLN 86 HE22 -0.01 0.02 -0.07 -0.04 7.69 7.58 2z36A1 GLN 87 H -0.02 0.38 -0.34 -0.55 8.47 7.94 2z36A1 GLN 87 HA -0.02 0.04 0.36 -0.75 4.36 3.99 2z36A1 GLN 87 HB2 -0.03 -0.02 0.07 -0.04 2.15 2.13 2z36A1 GLN 87 HB3 -0.03 0.07 0.11 -0.04 2.02 2.13 2z36A1 GLN 87 HG2 -0.05 -0.05 -0.05 -0.04 2.40 2.20 2z36A1 GLN 87 HG3 -0.04 0.03 -0.29 -0.04 2.39 2.05 2z36A1 GLN 87 HE21 -0.03 0.03 -0.06 -0.04 6.97 6.86 2z36A1 GLN 87 HE22 -0.04 -0.01 -0.12 -0.04 7.69 7.48 2z36A1 LEU 88 H -0.03 0.40 -0.23 -0.55 8.37 7.97 2z36A1 LEU 88 HA -0.03 0.01 0.32 -0.75 4.35 3.89 2z36A1 LEU 88 HB2 -0.07 0.17 0.09 -0.04 1.64 1.79 2z36A1 LEU 88 HB3 -0.08 -0.08 0.03 -0.04 1.64 1.47 2z36A1 LEU 88 HG -0.04 0.21 0.11 -0.04 1.64 1.87 2z36A1 LEU 88 HD13 -0.09 -0.03 -0.01 -0.04 0.93 0.76 2z36A1 LEU 88 HD23 -0.03 -0.03 -0.01 -0.04 0.89 0.78 2z36A1 ARG 89 H -0.03 0.31 -0.63 -0.55 8.46 7.56 2z36A1 ARG 89 HA -0.02 0.08 0.61 -0.75 4.34 4.26 2z36A1 ARG 89 HB2 -0.01 0.06 0.06 -0.04 1.90 1.97 2z36A1 ARG 89 HB3 -0.01 -0.09 0.16 -0.04 1.80 1.82 2z36A1 ARG 89 HG2 -0.03 -0.06 -0.12 -0.04 1.67 1.42 2z36A1 ARG 89 HG3 -0.03 0.15 -0.09 -0.04 1.67 1.66 2z36A1 ARG 89 HD2 0.00 -0.07 -0.11 -0.04 3.22 3.00 2z36A1 ARG 89 HD3 0.00 -0.07 -0.02 -0.04 3.22 3.09 2z36A1 SER 90 H -0.02 0.52 -0.54 -0.55 8.46 7.87 2z36A1 SER 90 HA -0.01 0.10 0.85 -0.75 4.49 4.68 2z36A1 SER 90 HB2 -0.02 0.06 0.13 -0.04 3.95 4.08 2z36A1 SER 90 HB3 -0.01 -0.13 0.17 -0.04 3.93 3.91 2z36A1 GLN 91 H -0.01 0.41 -0.10 -0.55 8.47 8.22 2z36A1 GLN 91 HA -0.00 0.03 0.53 -0.75 4.36 4.16 2z36A1 GLN 91 HB2 -0.01 -0.07 0.10 -0.04 2.15 2.13 2z36A1 GLN 91 HB3 -0.02 0.02 -0.26 -0.04 2.02 1.73 2z36A1 GLN 91 HG2 -0.02 0.05 -0.07 -0.04 2.40 2.31 2z36A1 GLN 91 HG3 -0.01 0.32 -0.24 -0.04 2.39 2.42 2z36A1 GLN 91 HE21 -0.01 -0.09 -0.11 -0.04 6.97 6.72 2z36A1 GLN 91 HE22 -0.01 0.02 -0.07 -0.04 7.69 7.59 2z36A1 PRO 92 HA 0.01 0.07 0.42 -0.51 4.44 4.43 2z36A1 PRO 92 HB2 0.02 0.01 -0.02 -0.04 2.28 2.25 2z36A1 PRO 92 HB3 0.02 0.02 0.09 -0.04 2.02 2.11 2z36A1 PRO 92 HG2 0.02 -0.03 0.04 -0.04 2.03 2.01 2z36A1 PRO 92 HG3 0.01 0.03 0.04 -0.04 2.03 2.08 2z36A1 PRO 92 HD2 0.01 0.07 0.15 -0.04 3.68 3.87 2z36A1 PRO 92 HD3 0.00 0.11 0.16 -0.04 3.65 3.88 2z36A1 PRO 93 HA -0.01 0.11 0.54 -0.51 4.44 4.57 2z36A1 PRO 93 HB2 0.01 0.10 -0.12 -0.04 2.28 2.23 2z36A1 PRO 93 HB3 -0.00 0.02 0.11 -0.04 2.02 2.10 2z36A1 PRO 93 HG2 0.03 0.00 -0.00 -0.04 2.03 2.02 2z36A1 PRO 93 HG3 0.02 -0.02 0.04 -0.04 2.03 2.03 2z36A1 PRO 93 HD2 0.02 0.02 0.20 -0.04 3.68 3.88 2z36A1 PRO 93 HD3 0.01 0.15 0.18 -0.04 3.65 3.94 2z36A1 LEU 94 H -0.01 0.11 0.14 -0.55 8.37 8.06 2z36A1 LEU 94 HA 0.04 0.17 0.57 -0.75 4.35 4.39 2z36A1 LEU 94 HB2 -0.00 -0.04 0.01 -0.04 1.64 1.57 2z36A1 LEU 94 HB3 0.04 -0.06 0.12 -0.04 1.64 1.71 2z36A1 LEU 94 HG -0.00 0.06 0.05 -0.04 1.64 1.71 2z36A1 LEU 94 HD13 0.01 0.01 -0.01 -0.04 0.93 0.91 2z36A1 LEU 94 HD23 0.04 0.03 -0.08 -0.04 0.89 0.83 2z36A1 MET 95 H 0.08 0.19 0.12 -0.55 8.47 8.31 2z36A1 MET 95 HA 0.17 0.11 0.35 -0.75 4.52 4.39 2z36A1 MET 95 HB2 0.12 0.06 0.07 -0.04 2.15 2.37 2z36A1 MET 95 HB3 0.12 -0.05 0.08 -0.04 2.03 2.14 2z36A1 MET 95 HG2 0.30 0.03 -0.22 -0.04 2.63 2.70 2z36A1 MET 95 HG3 0.39 0.00 -0.04 -0.04 2.56 2.88 2z36A1 MET 95 HE3 0.09 -0.01 -0.06 -0.04 2.10 2.08 2z36A1 LEU 96 H 0.04 0.01 -0.23 -0.55 8.37 7.64 2z36A1 LEU 96 HA -0.17 0.13 0.35 -0.75 4.35 3.92 2z36A1 LEU 96 HB2 0.01 -0.08 0.08 -0.04 1.64 1.61 2z36A1 LEU 96 HB3 -0.03 0.01 -0.04 -0.04 1.64 1.53 2z36A1 LEU 96 HG -0.06 0.07 0.08 -0.04 1.64 1.69 2z36A1 LEU 96 HD13 -0.04 0.01 0.03 -0.04 0.93 0.89 2z36A1 LEU 96 HD23 0.02 -0.01 0.02 -0.04 0.89 0.88 2z36A1 GLY 97 H -0.02 0.46 -0.91 -0.55 8.43 7.41 2z36A1 GLY 97 HA2 -0.12 0.48 0.91 -0.51 4.01 4.77 2z36A1 GLY 97 HA3 -0.09 -0.16 0.33 -0.51 4.01 3.58 2z36A1 MET 98 H 0.04 0.45 -0.07 -0.55 8.47 8.34 2z36A1 MET 98 HA 0.05 0.09 0.88 -0.75 4.52 4.79 2z36A1 MET 98 HB2 0.11 -0.09 -0.07 -0.04 2.15 2.06 2z36A1 MET 98 HB3 0.06 0.03 -0.11 -0.04 2.03 1.98 2z36A1 MET 98 HG2 0.11 0.16 -0.01 -0.04 2.63 2.85 2z36A1 MET 98 HG3 0.24 -0.02 -0.05 -0.04 2.56 2.70 2z36A1 MET 98 HE3 0.07 -0.02 -0.53 -0.04 2.10 1.58 2z36A1 ASP 99 H 0.08 0.10 0.12 -0.55 8.40 8.15 2z36A1 ASP 99 HA 0.10 0.36 1.04 -0.75 4.63 5.37 2z36A1 ASP 99 HB2 0.06 -0.01 0.04 -0.04 2.71 2.76 2z36A1 ASP 99 HB3 0.07 -0.03 0.18 -0.04 2.70 2.87 2z36A1 GLY 100 H 0.06 0.20 0.14 -0.55 8.43 8.30 2z36A1 GLY 100 HA2 0.05 0.12 0.35 -0.51 4.01 4.01 2z36A1 GLY 100 HA3 0.04 -0.01 0.41 -0.51 4.01 3.94 2z36A1 ALA 101 H 0.03 0.14 0.17 -0.55 8.40 8.19 2z36A1 ALA 101 HA 0.01 0.05 0.41 -0.75 4.34 4.05 2z36A1 ALA 101 HB3 0.02 0.02 0.12 -0.04 1.41 1.53 2z36A1 GLU 102 H 0.05 0.08 -0.06 -0.55 8.60 8.12 2z36A1 GLU 102 HA 0.04 0.03 0.33 -0.75 4.29 3.94 2z36A1 GLU 102 HB2 0.04 -0.05 0.11 -0.04 2.09 2.15 2z36A1 GLU 102 HB3 0.07 0.04 0.07 -0.04 1.99 2.13 2z36A1 GLU 102 HG2 0.07 0.05 -0.16 -0.04 2.34 2.25 2z36A1 GLU 102 HG3 0.04 -0.00 0.03 -0.04 2.34 2.37 2z36A1 HIS 103 H 0.15 0.63 -0.39 -0.55 8.41 8.26 2z36A1 HIS 103 HA 0.05 0.04 0.31 -0.75 4.63 4.28 2z36A1 HIS 103 HB2 0.06 0.05 -0.46 -0.04 3.26 2.88 2z36A1 HIS 103 HB3 -0.02 0.05 -0.20 -0.04 3.20 2.98 2z36A1 HIS 103 HD2 -0.23 -0.11 -0.11 -0.04 6.97 6.47 2z36A1 HIS 103 HE1 0.04 -0.01 -0.12 -0.04 7.75 7.62 2z36A1 SER 104 H -0.02 0.61 -0.00 -0.55 8.46 8.50 2z36A1 SER 104 HA -0.30 -0.00 0.36 -0.75 4.49 3.80 2z36A1 SER 104 HB2 -0.04 0.07 0.13 -0.04 3.95 4.07 2z36A1 SER 104 HB3 -0.08 -0.04 0.03 -0.04 3.93 3.80 2z36A1 ALA 105 H -0.02 0.70 -0.20 -0.55 8.40 8.33 2z36A1 ALA 105 HA -0.02 -0.04 0.38 -0.75 4.34 3.90 2z36A1 ALA 105 HB3 0.01 0.02 0.06 -0.04 1.41 1.46 2z36A1 ALA 106 H -0.01 0.51 -0.31 -0.55 8.40 8.04 2z36A1 ALA 106 HA 0.02 0.05 0.62 -0.75 4.34 4.28 2z36A1 ALA 106 HB3 0.08 -0.01 0.10 -0.04 1.41 1.54 2z36A1 ARG 107 H -0.13 0.40 -0.08 -0.55 8.46 8.11 2z36A1 ARG 107 HA -0.01 0.13 0.82 -0.75 4.34 4.53 2z36A1 ARG 107 HB2 -0.25 0.02 -0.04 -0.04 1.90 1.59 2z36A1 ARG 107 HB3 -0.29 -0.00 0.06 -0.04 1.80 1.53 2z36A1 ARG 107 HG2 -0.07 -0.07 -0.18 -0.04 1.67 1.31 2z36A1 ARG 107 HG3 -0.02 -0.06 0.01 -0.04 1.67 1.57 2z36A1 ARG 107 HD2 0.03 0.03 -0.05 -0.04 3.22 3.19 2z36A1 ARG 107 HD3 -0.13 0.01 -0.03 -0.04 3.22 3.03 2z36A1 ARG 108 H -0.08 0.74 0.16 -0.55 8.46 8.73 2z36A1 ARG 108 HA -0.03 -0.04 0.40 -0.75 4.34 3.92 2z36A1 ARG 108 HB2 -0.03 0.19 0.14 -0.04 1.90 2.16 2z36A1 ARG 108 HB3 -0.02 -0.03 -0.03 -0.04 1.80 1.69 2z36A1 ARG 108 HG2 -0.03 -0.04 0.02 -0.04 1.67 1.58 2z36A1 ARG 108 HG3 -0.05 -0.04 0.07 -0.04 1.67 1.61 2z36A1 ARG 108 HD2 -0.04 -0.05 -0.02 -0.04 3.22 3.06 2z36A1 ARG 108 HD3 -0.06 0.02 -0.07 -0.04 3.22 3.07 2z36A1 PRO 109 HA 0.01 0.02 0.36 -0.51 4.44 4.32 2z36A1 PRO 109 HB2 0.02 -0.01 0.04 -0.04 2.28 2.29 2z36A1 PRO 109 HB3 0.01 -0.01 0.08 -0.04 2.02 2.06 2z36A1 PRO 109 HG2 0.02 0.12 -0.24 -0.04 2.03 1.90 2z36A1 PRO 109 HG3 0.02 0.12 0.03 -0.04 2.03 2.15 2z36A1 PRO 109 HD2 -0.01 -0.01 -0.54 -0.04 3.68 3.08 2z36A1 PRO 109 HD3 -0.01 0.10 0.06 -0.04 3.65 3.76 2z36A1 VAL 110 H 0.03 0.53 -0.66 -0.55 8.24 7.59 2z36A1 VAL 110 HA 0.05 0.16 0.99 -0.75 4.13 4.58 2z36A1 VAL 110 HB 0.08 0.03 -0.12 -0.04 2.12 2.07 2z36A1 VAL 110 HG13 0.09 0.06 -0.05 -0.04 0.97 1.03 2z36A1 VAL 110 HG23 0.19 -0.03 0.04 -0.04 0.95 1.11 2z36A1 ILE 111 H 0.04 0.44 0.15 -0.55 8.25 8.33 2z36A1 ILE 111 HA 0.13 0.07 0.36 -0.75 4.18 3.99 2z36A1 ILE 111 HB 0.02 0.12 0.18 -0.04 1.89 2.17 2z36A1 ILE 111 HG12 0.00 0.01 0.01 -0.04 1.49 1.47 2z36A1 ILE 111 HG13 -0.01 0.18 -0.09 -0.04 1.21 1.24 2z36A1 ILE 111 HG23 0.02 -0.02 -0.16 -0.04 0.93 0.73 2z36A1 ILE 111 HD13 -0.03 -0.01 -0.04 -0.04 0.88 0.76 2z36A1 GLY 112 H 0.03 0.21 -0.34 -0.55 8.43 7.78 2z36A1 GLY 112 HA2 0.01 0.00 0.36 -0.51 4.01 3.88 2z36A1 GLY 112 HA3 -0.00 0.07 0.23 -0.51 4.01 3.80 2z36A1 GLU 113 H -0.02 0.50 -0.34 -0.55 8.60 8.19 2z36A1 GLU 113 HA -0.21 0.04 0.43 -0.75 4.29 3.80 2z36A1 GLU 113 HB2 -0.41 0.16 0.05 -0.04 2.09 1.85 2z36A1 GLU 113 HB3 -0.53 -0.04 0.11 -0.04 1.99 1.49 2z36A1 GLU 113 HG2 -0.07 -0.05 0.00 -0.04 2.34 2.18 2z36A1 GLU 113 HG3 -0.09 0.01 0.05 -0.04 2.34 2.27 2z36A1 PHE 114 H 0.06 0.34 -0.58 -0.55 8.34 7.61 2z36A1 PHE 114 HA -0.03 0.17 0.86 -0.75 4.62 4.87 2z36A1 PHE 114 HB2 -0.03 0.13 0.08 -0.04 3.15 3.28 2z36A1 PHE 114 HB3 -0.04 -0.13 0.20 -0.04 3.06 3.05 2z36A1 PHE 114 HD2 -0.03 0.00 -0.04 -0.04 7.28 7.17 2z36A1 PHE 114 HE2 -0.02 -0.01 -0.08 -0.04 7.38 7.23 2z36A1 PHE 114 HZ -0.02 -0.03 -0.10 -0.04 7.32 7.13 2z36A1 THR 115 H -0.00 0.28 -0.09 -0.55 8.28 7.92 2z36A1 THR 115 HA 0.03 0.16 0.46 -0.75 4.39 4.28 2z36A1 THR 115 HB 0.01 -0.08 0.18 -0.04 4.32 4.38 2z36A1 THR 115 HG23 0.01 0.09 0.11 -0.04 1.22 1.39 2z36A1 VAL 116 H 0.01 0.16 0.16 -0.55 8.24 8.02 2z36A1 VAL 116 HA 0.02 0.16 0.37 -0.75 4.13 3.92 2z36A1 VAL 116 HB 0.01 -0.06 0.12 -0.04 2.12 2.15 2z36A1 VAL 116 HG13 0.01 0.02 -0.07 -0.04 0.97 0.89 2z36A1 VAL 116 HG23 0.01 0.02 0.07 -0.04 0.95 1.02 2z36A1 LYS 117 H -0.00 0.07 -0.07 -0.55 8.42 7.86 2z36A1 LYS 117 HA -0.01 0.11 0.39 -0.75 4.32 4.07 2z36A1 LYS 117 HB2 -0.01 0.00 0.10 -0.04 1.87 1.93 2z36A1 LYS 117 HB3 -0.01 -0.03 0.07 -0.04 1.79 1.78 2z36A1 LYS 117 HG2 -0.01 0.01 0.02 -0.04 1.46 1.44 2z36A1 LYS 117 HG3 -0.01 0.02 -0.00 -0.04 1.46 1.43 2z36A1 LYS 117 HD2 -0.02 0.00 -0.13 -0.04 1.69 1.50 2z36A1 LYS 117 HD3 -0.02 -0.00 -0.37 -0.04 1.68 1.24 2z36A1 LYS 117 HE2 -0.01 0.00 -0.04 -0.04 2.99 2.90 2z36A1 LYS 117 HE3 -0.01 0.00 -0.04 -0.04 2.99 2.90 2z36A1 ARG 118 H -0.02 0.01 -0.24 -0.55 8.46 7.65 2z36A1 ARG 118 HA -0.05 0.05 0.29 -0.75 4.34 3.88 2z36A1 ARG 118 HB2 -0.05 -0.02 0.09 -0.04 1.90 1.87 2z36A1 ARG 118 HB3 -0.07 0.05 -0.12 -0.04 1.80 1.61 2z36A1 ARG 118 HG2 -0.18 0.00 -0.11 -0.04 1.67 1.33 2z36A1 ARG 118 HG3 -0.13 0.01 -0.11 -0.04 1.67 1.40 2z36A1 ARG 118 HD2 -0.07 0.04 -0.01 -0.04 3.22 3.14 2z36A1 ARG 118 HD3 -0.11 -0.02 -0.05 -0.04 3.22 3.01 2z36A1 LEU 119 H -0.02 0.64 -0.34 -0.55 8.37 8.11 2z36A1 LEU 119 HA -0.04 0.04 0.40 -0.75 4.35 4.00 2z36A1 LEU 119 HB2 0.01 0.21 0.01 -0.04 1.64 1.83 2z36A1 LEU 119 HB3 0.02 -0.04 -0.10 -0.04 1.64 1.47 2z36A1 LEU 119 HG 0.05 -0.07 -0.08 -0.04 1.64 1.51 2z36A1 LEU 119 HD13 -0.03 -0.03 -0.04 -0.04 0.93 0.79 2z36A1 LEU 119 HD23 0.10 0.03 -0.23 -0.04 0.89 0.75 2z36A1 ALA 120 H -0.01 0.41 -0.35 -0.55 8.40 7.91 2z36A1 ALA 120 HA -0.00 -0.01 0.44 -0.75 4.34 4.02 2z36A1 ALA 120 HB3 -0.00 0.03 0.14 -0.04 1.41 1.54 2z36A1 ALA 121 H -0.02 0.51 -0.07 -0.55 8.40 8.27 2z36A1 ALA 121 HA -0.01 0.00 0.40 -0.75 4.34 3.98 2z36A1 ALA 121 HB3 -0.03 0.02 0.08 -0.04 1.41 1.45 2z36A1 LEU 122 H -0.03 0.23 -0.61 -0.55 8.37 7.42 2z36A1 LEU 122 HA -0.03 0.03 0.51 -0.75 4.35 4.11 2z36A1 LEU 122 HB2 -0.05 0.09 0.09 -0.04 1.64 1.72 2z36A1 LEU 122 HB3 -0.03 0.16 0.09 -0.04 1.64 1.83 2z36A1 LEU 122 HG -0.03 -0.08 -0.04 -0.04 1.64 1.45 2z36A1 LEU 122 HD13 -0.05 -0.00 -0.02 -0.04 0.93 0.81 2z36A1 LEU 122 HD23 -0.06 0.00 -0.01 -0.04 0.89 0.78 2z36A1 ARG 123 H -0.01 0.44 -0.15 -0.55 8.46 8.20 2z36A1 ARG 123 HA 0.00 -0.04 0.35 -0.75 4.34 3.89 2z36A1 ARG 123 HB2 0.00 -0.03 0.14 -0.04 1.90 1.98 2z36A1 ARG 123 HB3 -0.00 0.35 0.22 -0.04 1.80 2.33 2z36A1 ARG 123 HG2 0.00 -0.00 -0.25 -0.04 1.67 1.37 2z36A1 ARG 123 HG3 0.01 -0.09 -0.09 -0.04 1.67 1.46 2z36A1 ARG 123 HD2 0.00 0.04 0.02 -0.04 3.22 3.25 2z36A1 ARG 123 HD3 0.01 -0.04 -0.03 -0.04 3.22 3.12 2z36A1 PRO 124 HA -0.00 0.01 0.44 -0.51 4.44 4.38 2z36A1 PRO 124 HB2 -0.01 0.04 0.07 -0.04 2.28 2.34 2z36A1 PRO 124 HB3 -0.01 -0.00 0.07 -0.04 2.02 2.03 2z36A1 PRO 124 HG2 -0.01 0.06 0.06 -0.04 2.03 2.10 2z36A1 PRO 124 HG3 -0.00 -0.01 0.06 -0.04 2.03 2.04 2z36A1 PRO 124 HD2 -0.01 0.38 -0.30 -0.04 3.68 3.71 2z36A1 PRO 124 HD3 -0.00 0.24 0.08 -0.04 3.65 3.92 2z36A1 ARG 125 H -0.00 0.31 -0.16 -0.55 8.46 8.06 2z36A1 ARG 125 HA 0.02 -0.03 0.38 -0.75 4.34 3.95 2z36A1 ARG 125 HB2 -0.00 0.20 0.13 -0.04 1.90 2.18 2z36A1 ARG 125 HB3 0.02 -0.06 0.06 -0.04 1.80 1.78 2z36A1 ARG 125 HG2 -0.01 0.02 0.12 -0.04 1.67 1.76 2z36A1 ARG 125 HG3 -0.01 0.05 0.07 -0.04 1.67 1.74 2z36A1 ARG 125 HD2 -0.00 0.01 0.04 -0.04 3.22 3.23 2z36A1 ARG 125 HD3 0.02 -0.01 0.04 -0.04 3.22 3.23 2z36A1 ILE 126 H 0.00 0.48 -0.26 -0.55 8.25 7.92 2z36A1 ILE 126 HA 0.01 -0.02 0.40 -0.75 4.18 3.82 2z36A1 ILE 126 HB 0.00 0.19 0.15 -0.04 1.89 2.19 2z36A1 ILE 126 HG12 -0.00 -0.07 -0.02 -0.04 1.49 1.35 2z36A1 ILE 126 HG13 -0.00 0.26 -0.06 -0.04 1.21 1.37 2z36A1 ILE 126 HG23 -0.00 -0.03 -0.14 -0.04 0.93 0.72 2z36A1 ILE 126 HD13 0.00 -0.02 -0.12 -0.04 0.88 0.70 2z36A1 GLN 127 H 0.01 0.65 0.05 -0.55 8.47 8.63 2z36A1 GLN 127 HA 0.00 -0.01 0.38 -0.75 4.36 3.98 2z36A1 GLN 127 HB2 0.00 0.11 0.22 -0.04 2.15 2.44 2z36A1 GLN 127 HB3 0.00 -0.03 -0.02 -0.04 2.02 1.93 2z36A1 GLN 127 HG2 0.00 -0.01 0.03 -0.04 2.40 2.39 2z36A1 GLN 127 HG3 0.00 -0.02 -0.00 -0.04 2.39 2.33 2z36A1 GLN 127 HE21 0.00 0.01 0.02 -0.04 6.97 6.96 2z36A1 GLN 127 HE22 0.01 -0.01 0.02 -0.04 7.69 7.67 2z36A1 ASP 128 H 0.01 0.68 -0.10 -0.55 8.40 8.45 2z36A1 ASP 128 HA 0.01 -0.02 0.36 -0.75 4.63 4.24 2z36A1 ASP 128 HB2 0.03 0.14 0.14 -0.04 2.71 2.98 2z36A1 ASP 128 HB3 0.02 -0.06 0.00 -0.04 2.70 2.62 2z36A1 ILE 129 H 0.04 0.53 -0.17 -0.55 8.25 8.10 2z36A1 ILE 129 HA 0.05 -0.04 0.38 -0.75 4.18 3.81 2z36A1 ILE 129 HB 0.07 0.15 0.17 -0.04 1.89 2.24 2z36A1 ILE 129 HG12 0.05 -0.10 0.01 -0.04 1.49 1.40 2z36A1 ILE 129 HG13 0.05 0.26 0.14 -0.04 1.21 1.63 2z36A1 ILE 129 HG23 0.26 -0.03 -0.11 -0.04 0.93 1.01 2z36A1 ILE 129 HD13 -0.02 -0.05 -0.18 -0.04 0.88 0.59 2z36A1 VAL 130 H 0.06 0.63 -0.08 -0.55 8.24 8.29 2z36A1 VAL 130 HA 0.13 -0.02 0.38 -0.75 4.13 3.86 2z36A1 VAL 130 HB 0.01 0.11 0.11 -0.04 2.12 2.31 2z36A1 VAL 130 HG13 -0.03 -0.00 -0.16 -0.04 0.97 0.74 2z36A1 VAL 130 HG23 0.00 0.04 -0.05 -0.04 0.95 0.90 2z36A1 ASP 131 H 0.02 0.80 -0.04 -0.55 8.40 8.63 2z36A1 ASP 131 HA -0.02 0.00 0.36 -0.75 4.63 4.21 2z36A1 ASP 131 HB2 0.01 0.10 0.15 -0.04 2.71 2.93 2z36A1 ASP 131 HB3 -0.01 -0.06 -0.02 -0.04 2.70 2.57 2z36A1 HIS 132 H 0.04 0.63 -0.20 -0.55 8.41 8.35 2z36A1 HIS 132 HA -0.12 -0.02 0.38 -0.75 4.63 4.12 2z36A1 HIS 132 HB2 -0.16 -0.00 0.12 -0.04 3.26 3.17 2z36A1 HIS 132 HB3 -0.41 0.20 0.23 -0.04 3.20 3.18 2z36A1 HIS 132 HD2 -1.92 0.03 -0.05 -0.04 6.97 4.97 2z36A1 HIS 132 HE1 -0.10 -0.02 -0.04 -0.04 7.75 7.56 2z36A1 PHE 133 H -0.14 0.51 0.00 -0.55 8.34 8.15 2z36A1 PHE 133 HA -0.26 -0.04 0.45 -0.75 4.62 4.01 2z36A1 PHE 133 HB2 -0.04 0.05 0.13 -0.04 3.15 3.25 2z36A1 PHE 133 HB3 -0.06 0.21 0.11 -0.04 3.06 3.28 2z36A1 PHE 133 HD2 -0.00 0.05 0.01 -0.04 7.28 7.29 2z36A1 PHE 133 HE2 0.07 -0.04 -0.06 -0.04 7.38 7.31 2z36A1 PHE 133 HZ 0.07 -0.06 -0.04 -0.04 7.32 7.24 2z36A1 ILE 134 H -0.00 0.59 -0.27 -0.55 8.25 8.02 2z36A1 ILE 134 HA -0.08 -0.02 0.36 -0.75 4.18 3.69 2z36A1 ILE 134 HB -0.07 0.13 0.11 -0.04 1.89 2.02 2z36A1 ILE 134 HG12 -0.03 0.14 0.01 -0.04 1.49 1.56 2z36A1 ILE 134 HG13 -0.07 -0.07 -0.17 -0.04 1.21 0.86 2z36A1 ILE 134 HG23 -0.16 -0.01 -0.16 -0.04 0.93 0.56 2z36A1 ILE 134 HD13 -0.14 -0.01 -0.04 -0.04 0.88 0.65 2z36A1 ASP 135 H -0.12 0.50 -0.31 -0.55 8.40 7.92 2z36A1 ASP 135 HA -0.09 0.01 0.41 -0.75 4.63 4.20 2z36A1 ASP 135 HB2 -0.18 0.38 0.32 -0.04 2.71 3.19 2z36A1 ASP 135 HB3 -0.09 -0.10 -0.05 -0.04 2.70 2.43 2z36A1 ASP 136 H -0.25 0.56 0.06 -0.55 8.40 8.23 2z36A1 ASP 136 HA -0.07 -0.03 0.25 -0.75 4.63 4.04 2z36A1 ASP 136 HB2 -0.04 0.14 0.14 -0.04 2.71 2.91 2z36A1 ASP 136 HB3 0.01 -0.07 -0.00 -0.04 2.70 2.59 2z36A1 MET 137 H -0.03 0.40 -0.74 -0.55 8.47 7.55 2z36A1 MET 137 HA 0.13 -0.06 0.46 -0.75 4.52 4.30 2z36A1 MET 137 HB2 -0.11 0.31 0.16 -0.04 2.15 2.47 2z36A1 MET 137 HB3 -0.01 -0.07 -0.05 -0.04 2.03 1.86 2z36A1 MET 137 HG2 0.11 -0.15 -0.06 -0.04 2.63 2.49 2z36A1 MET 137 HG3 0.04 0.20 -0.04 -0.04 2.56 2.71 2z36A1 MET 137 HE3 -0.01 -0.01 -0.08 -0.04 2.10 1.95 2z36A1 LEU 138 H -0.08 0.52 0.05 -0.55 8.37 8.31 2z36A1 LEU 138 HA 0.16 -0.01 0.40 -0.75 4.35 4.14 2z36A1 LEU 138 HB2 -0.09 0.07 0.19 -0.04 1.64 1.77 2z36A1 LEU 138 HB3 -0.07 -0.09 0.23 -0.04 1.64 1.67 2z36A1 LEU 138 HG -0.32 0.13 0.07 -0.04 1.64 1.48 2z36A1 LEU 138 HD13 -0.17 -0.01 0.00 -0.04 0.93 0.71 2z36A1 LEU 138 HD23 -0.53 -0.01 0.01 -0.04 0.89 0.32 2z36A1 ALA 139 H 0.10 0.19 -1.18 -0.55 8.40 6.96 2z36A1 ALA 139 HA 0.04 0.09 0.64 -0.75 4.34 4.36 2z36A1 ALA 139 HB3 0.01 -0.02 -0.09 -0.04 1.41 1.27 2z36A1 THR 140 H 0.14 0.48 0.18 -0.55 8.28 8.53 2z36A1 THR 140 HA 0.05 0.02 0.56 -0.75 4.39 4.26 2z36A1 THR 140 HB 0.04 -0.14 0.04 -0.04 4.32 4.22 2z36A1 THR 140 HG23 0.08 0.05 0.12 -0.04 1.22 1.44 2z36A1 ASP 141 H 0.02 0.11 0.13 -0.55 8.40 8.11 2z36A1 ASP 141 HA 0.01 0.19 0.63 -0.75 4.63 4.70 2z36A1 ASP 141 HB2 0.01 -0.04 0.23 -0.04 2.71 2.87 2z36A1 ASP 141 HB3 0.02 0.05 0.09 -0.04 2.70 2.82 2z36A1 GLN 142 H -0.02 0.34 -0.64 -0.55 8.47 7.61 2z36A1 GLN 142 HA -0.03 0.11 0.92 -0.75 4.36 4.61 2z36A1 GLN 142 HB2 -0.02 0.01 -0.14 -0.04 2.15 1.96 2z36A1 GLN 142 HB3 -0.03 0.12 0.00 -0.04 2.02 2.07 2z36A1 GLN 142 HG2 -0.01 0.07 -0.16 -0.04 2.40 2.26 2z36A1 GLN 142 HG3 0.01 -0.18 -0.33 -0.04 2.39 1.85 2z36A1 GLN 142 HE21 0.00 -0.05 0.00 -0.04 6.97 6.89 2z36A1 GLN 142 HE22 -0.00 0.01 -0.01 -0.04 7.69 7.65 2z36A1 ARG 143 H -0.05 0.00 0.12 -0.55 8.46 7.97 2z36A1 ARG 143 HA -0.12 0.07 0.46 -0.75 4.34 3.99 2z36A1 ARG 143 HB2 -0.06 0.03 0.20 -0.04 1.90 2.03 2z36A1 ARG 143 HB3 -0.07 -0.01 0.08 -0.04 1.80 1.75 2z36A1 ARG 143 HG2 -0.04 -0.02 0.06 -0.04 1.67 1.63 2z36A1 ARG 143 HG3 -0.05 0.02 0.03 -0.04 1.67 1.62 2z36A1 ARG 143 HD2 -0.04 0.00 0.25 -0.04 3.22 3.38 2z36A1 ARG 143 HD3 -0.03 -0.00 0.10 -0.04 3.22 3.25 2z36A1 PRO 144 HA -0.12 0.38 0.84 -0.51 4.44 5.03 2z36A1 PRO 144 HB2 -0.04 -0.08 -0.01 -0.04 2.28 2.12 2z36A1 PRO 144 HB3 -0.05 0.07 0.01 -0.04 2.02 2.00 2z36A1 PRO 144 HG2 -0.03 -0.02 0.04 -0.04 2.03 1.97 2z36A1 PRO 144 HG3 -0.04 0.04 0.04 -0.04 2.03 2.03 2z36A1 PRO 144 HD2 -0.05 -0.02 0.22 -0.04 3.68 3.79 2z36A1 PRO 144 HD3 -0.05 0.10 0.16 -0.04 3.65 3.81 2z36A1 VAL 145 H -0.04 0.53 0.38 -0.55 8.24 8.56 2z36A1 VAL 145 HA 0.00 0.17 0.95 -0.75 4.13 4.50 2z36A1 VAL 145 HB 0.15 -0.01 0.02 -0.04 2.12 2.24 2z36A1 VAL 145 HG13 0.10 -0.01 -0.13 -0.04 0.97 0.89 2z36A1 VAL 145 HG23 -0.02 0.06 -0.19 -0.04 0.95 0.76 2z36A1 ASP 146 H 0.01 0.21 0.07 -0.55 8.40 8.14 2z36A1 ASP 146 HA 0.00 0.19 0.44 -0.75 4.63 4.51 2z36A1 ASP 146 HB2 -0.01 0.12 0.05 -0.04 2.71 2.82 2z36A1 ASP 146 HB3 -0.01 0.01 0.21 -0.04 2.70 2.87 2z36A1 LEU 147 H 0.02 0.82 0.33 -0.55 8.37 8.99 2z36A1 LEU 147 HA 0.02 0.06 0.31 -0.75 4.35 3.99 2z36A1 LEU 147 HB2 0.05 0.19 0.16 -0.04 1.64 1.99 2z36A1 LEU 147 HB3 0.00 -0.03 0.08 -0.04 1.64 1.66 2z36A1 LEU 147 HG 0.02 0.09 -0.01 -0.04 1.64 1.69 2z36A1 LEU 147 HD13 -0.03 -0.06 -0.07 -0.04 0.93 0.73 2z36A1 LEU 147 HD23 -0.00 0.00 0.01 -0.04 0.89 0.86 2z36A1 VAL 148 H -0.03 -0.03 -0.43 -0.55 8.24 7.20 2z36A1 VAL 148 HA -0.07 0.05 0.49 -0.75 4.13 3.85 2z36A1 VAL 148 HB -0.04 -0.06 0.08 -0.04 2.12 2.05 2z36A1 VAL 148 HG13 -0.07 0.07 -0.09 -0.04 0.97 0.84 2z36A1 VAL 148 HG23 -0.07 0.02 -0.14 -0.04 0.95 0.71 2z36A1 GLN 149 H -0.03 0.27 -0.06 -0.55 8.47 8.11 2z36A1 GLN 149 HA -0.07 0.14 0.65 -0.75 4.36 4.33 2z36A1 GLN 149 HB2 -0.02 0.02 0.09 -0.04 2.15 2.20 2z36A1 GLN 149 HB3 -0.03 0.02 0.08 -0.04 2.02 2.05 2z36A1 GLN 149 HG2 -0.03 -0.09 -0.04 -0.04 2.40 2.21 2z36A1 GLN 149 HG3 -0.02 -0.01 0.03 -0.04 2.39 2.35 2z36A1 GLN 149 HE21 -0.02 0.02 -0.02 -0.04 6.97 6.90 2z36A1 GLN 149 HE22 -0.02 0.03 -0.02 -0.04 7.69 7.64 2z36A1 ALA 150 H -0.04 0.18 -0.23 -0.55 8.40 7.77 2z36A1 ALA 150 HA -0.03 0.16 0.69 -0.75 4.34 4.41 2z36A1 ALA 150 HB3 0.03 -0.01 -0.07 -0.04 1.41 1.31 2z36A1 LEU 151 H -0.07 0.39 -0.04 -0.55 8.37 8.10 2z36A1 LEU 151 HA -0.14 0.20 0.93 -0.75 4.35 4.59 2z36A1 LEU 151 HB2 -0.06 0.05 0.16 -0.04 1.64 1.74 2z36A1 LEU 151 HB3 -0.09 -0.00 -0.02 -0.04 1.64 1.49 2z36A1 LEU 151 HG -0.04 0.03 -0.22 -0.04 1.64 1.36 2z36A1 LEU 151 HD13 -0.10 0.00 -0.06 -0.04 0.93 0.74 2z36A1 LEU 151 HD23 -0.04 0.01 -0.04 -0.04 0.89 0.78 2z36A1 SER 152 H -0.09 0.32 0.19 -0.55 8.46 8.33 2z36A1 SER 152 HA -0.11 -0.00 0.40 -0.75 4.49 4.02 2z36A1 SER 152 HB2 -0.10 0.04 0.30 -0.04 3.95 4.16 2z36A1 SER 152 HB3 -0.11 0.03 0.05 -0.04 3.93 3.85 2z36A1 LEU 153 H -0.13 0.45 -0.18 -0.55 8.37 7.97 2z36A1 LEU 153 HA -0.17 0.07 0.70 -0.75 4.35 4.19 2z36A1 LEU 153 HB2 -0.10 0.26 0.17 -0.04 1.64 1.93 2z36A1 LEU 153 HB3 -0.07 -0.01 -0.04 -0.04 1.64 1.48 2z36A1 LEU 153 HG -0.07 -0.04 -0.02 -0.04 1.64 1.47 2z36A1 LEU 153 HD13 -0.17 0.00 -0.09 -0.04 0.93 0.63 2z36A1 LEU 153 HD23 -0.05 -0.00 -0.04 -0.04 0.89 0.75 2z36A1 PRO 154 HA -0.16 -0.01 0.44 -0.51 4.44 4.21 2z36A1 PRO 154 HB2 -1.44 -0.02 -0.04 -0.04 2.28 0.74 2z36A1 PRO 154 HB3 -0.44 -0.00 0.04 -0.04 2.02 1.58 2z36A1 PRO 154 HG2 -0.68 0.08 -0.09 -0.04 2.03 1.29 2z36A1 PRO 154 HG3 -0.59 0.19 -0.21 -0.04 2.03 1.39 2z36A1 PRO 154 HD2 -0.21 -0.05 -0.49 -0.04 3.68 2.89 2z36A1 PRO 154 HD3 -0.20 0.15 -0.08 -0.04 3.65 3.48 2z36A1 VAL 155 H -0.23 0.56 -0.25 -0.55 8.24 7.76 2z36A1 VAL 155 HA -0.01 0.01 0.34 -0.75 4.13 3.71 2z36A1 VAL 155 HB -0.08 0.12 -0.02 -0.04 2.12 2.11 2z36A1 VAL 155 HG13 -0.01 -0.03 -0.21 -0.04 0.97 0.68 2z36A1 VAL 155 HG23 -0.04 0.03 -0.03 -0.04 0.95 0.87 2z36A1 PRO 156 HA 0.03 0.00 0.39 -0.51 4.44 4.36 2z36A1 PRO 156 HB2 0.17 0.05 0.13 -0.04 2.28 2.60 2z36A1 PRO 156 HB3 0.05 0.08 0.18 -0.04 2.02 2.28 2z36A1 PRO 156 HG2 -0.08 0.11 0.06 -0.04 2.03 2.08 2z36A1 PRO 156 HG3 -0.04 -0.06 -0.03 -0.04 2.03 1.86 2z36A1 PRO 156 HD2 -0.04 0.32 -0.07 -0.04 3.68 3.84 2z36A1 PRO 156 HD3 -0.08 0.07 0.01 -0.04 3.65 3.61 2z36A1 SER 157 H 0.15 0.40 -0.36 -0.55 8.46 8.09 2z36A1 SER 157 HA -0.09 0.01 0.40 -0.75 4.49 4.06 2z36A1 SER 157 HB2 -0.24 -0.05 -0.04 -0.04 3.95 3.58 2z36A1 SER 157 HB3 -0.62 0.04 0.04 -0.04 3.93 3.35 2z36A1 LEU 158 H -0.00 0.60 -0.05 -0.55 8.37 8.37 2z36A1 LEU 158 HA -0.11 -0.05 0.45 -0.75 4.35 3.89 2z36A1 LEU 158 HB2 0.04 0.24 0.18 -0.04 1.64 2.06 2z36A1 LEU 158 HB3 -0.17 -0.07 0.02 -0.04 1.64 1.38 2z36A1 LEU 158 HG 0.01 -0.04 0.01 -0.04 1.64 1.57 2z36A1 LEU 158 HD13 0.25 0.04 -0.01 -0.04 0.93 1.16 2z36A1 LEU 158 HD23 -0.33 -0.02 0.02 -0.04 0.89 0.53 2z36A1 VAL 159 H -0.01 0.68 -0.16 -0.55 8.24 8.20 2z36A1 VAL 159 HA -0.04 0.03 0.39 -0.75 4.13 3.75 2z36A1 VAL 159 HB 0.01 0.11 0.10 -0.04 2.12 2.29 2z36A1 VAL 159 HG13 -0.00 -0.02 -0.16 -0.04 0.97 0.75 2z36A1 VAL 159 HG23 0.01 0.02 -0.01 -0.04 0.95 0.92 2z36A1 ILE 160 H -0.01 0.52 -0.29 -0.55 8.25 7.91 2z36A1 ILE 160 HA -0.05 0.02 0.42 -0.75 4.18 3.82 2z36A1 ILE 160 HB 0.04 0.17 0.16 -0.04 1.89 2.22 2z36A1 ILE 160 HG12 0.04 -0.09 -0.05 -0.04 1.49 1.35 2z36A1 ILE 160 HG13 0.04 0.36 0.08 -0.04 1.21 1.65 2z36A1 ILE 160 HG23 -0.02 -0.05 -0.15 -0.04 0.93 0.67 2z36A1 ILE 160 HD13 0.06 -0.02 -0.20 -0.04 0.88 0.68 2z36A1 CYS 161 H -0.21 0.53 -0.08 -0.55 8.50 8.19 2z36A1 CYS 161 HA -0.61 -0.02 0.42 -0.75 4.58 3.62 2z36A1 CYS 161 HB2 -1.18 -0.10 0.06 -0.04 2.97 1.70 2z36A1 CYS 161 HB3 -1.51 0.10 0.08 -0.04 2.97 1.60 2z36A1 GLU 162 H -0.18 0.48 -0.43 -0.55 8.60 7.92 2z36A1 GLU 162 HA -0.04 0.03 0.40 -0.75 4.29 3.93 2z36A1 GLU 162 HB2 -0.07 0.03 0.11 -0.04 2.09 2.12 2z36A1 GLU 162 HB3 -0.07 0.25 0.17 -0.04 1.99 2.30 2z36A1 GLU 162 HG2 -0.01 -0.03 -0.03 -0.04 2.34 2.22 2z36A1 GLU 162 HG3 -0.03 0.01 -0.17 -0.04 2.34 2.11 2z36A1 LEU 163 H -0.13 0.40 -0.19 -0.55 8.37 7.90 2z36A1 LEU 163 HA -0.13 0.03 0.41 -0.75 4.35 3.91 2z36A1 LEU 163 HB2 -0.10 0.07 0.16 -0.04 1.64 1.74 2z36A1 LEU 163 HB3 -0.14 0.17 0.26 -0.04 1.64 1.89 2z36A1 LEU 163 HG -0.20 -0.08 -0.15 -0.04 1.64 1.17 2z36A1 LEU 163 HD13 -0.23 0.02 0.03 -0.04 0.93 0.71 2z36A1 LEU 163 HD23 -0.06 -0.01 -0.02 -0.04 0.89 0.75 2z36A1 LEU 164 H -0.26 0.65 0.03 -0.55 8.37 8.24 2z36A1 LEU 164 HA -0.53 -0.08 0.42 -0.75 4.35 3.41 2z36A1 LEU 164 HB2 -0.46 0.03 0.11 -0.04 1.64 1.29 2z36A1 LEU 164 HB3 -1.16 -0.07 0.01 -0.04 1.64 0.38 2z36A1 LEU 164 HG -0.26 0.24 0.07 -0.04 1.64 1.64 2z36A1 LEU 164 HD13 -0.18 -0.01 -0.03 -0.04 0.93 0.66 2z36A1 LEU 164 HD23 -0.35 -0.02 0.01 -0.04 0.89 0.49 2z36A1 GLY 165 H -0.21 0.49 -0.36 -0.55 8.43 7.81 2z36A1 GLY 165 HA2 -0.06 0.17 0.22 -0.51 4.01 3.83 2z36A1 GLY 165 HA3 -0.06 -0.02 0.86 -0.51 4.01 4.28 2z36A1 VAL 166 H -0.13 0.42 0.13 -0.55 8.24 8.11 2z36A1 VAL 166 HA 0.10 0.08 0.42 -0.75 4.13 3.98 2z36A1 VAL 166 HB 0.24 -0.01 0.01 -0.04 2.12 2.31 2z36A1 VAL 166 HG13 -0.23 0.02 0.03 -0.04 0.97 0.75 2z36A1 VAL 166 HG23 -0.05 0.03 -0.30 -0.04 0.95 0.59 2z36A1 PRO 167 HA 0.05 0.10 0.46 -0.51 4.44 4.54 2z36A1 PRO 167 HB2 0.05 -0.11 0.00 -0.04 2.28 2.18 2z36A1 PRO 167 HB3 0.05 0.13 0.10 -0.04 2.02 2.26 2z36A1 PRO 167 HG2 0.12 -0.09 -0.04 -0.04 2.03 1.99 2z36A1 PRO 167 HG3 0.10 0.10 0.02 -0.04 2.03 2.22 2z36A1 PRO 167 HD2 0.25 0.03 0.16 -0.04 3.68 4.08 2z36A1 PRO 167 HD3 0.09 0.23 0.18 -0.04 3.65 4.12 2z36A1 TYR 168 H 0.07 0.21 0.17 -0.55 8.29 8.19 2z36A1 TYR 168 HA -0.95 0.10 0.40 -0.75 4.56 3.35 2z36A1 TYR 168 HB2 -0.20 0.09 0.15 -0.04 3.06 3.05 2z36A1 TYR 168 HB3 -0.17 -0.02 0.13 -0.04 2.98 2.88 2z36A1 TYR 168 HD2 -0.15 0.02 -0.14 -0.04 7.15 6.84 2z36A1 TYR 168 HE2 -0.10 0.03 -0.04 -0.04 6.85 6.70 2z36A1 THR 169 H 0.03 0.08 -0.38 -0.55 8.28 7.46 2z36A1 THR 169 HA -0.04 0.10 0.36 -0.75 4.39 4.05 2z36A1 THR 169 HB 0.02 0.03 0.15 -0.04 4.32 4.48 2z36A1 THR 169 HG23 0.07 -0.00 0.02 -0.04 1.22 1.26 2z36A1 ASP 170 H -0.12 0.31 -0.81 -0.55 8.40 7.22 2z36A1 ASP 170 HA 0.02 0.16 0.87 -0.75 4.63 4.92 2z36A1 ASP 170 HB2 0.13 0.21 -0.05 -0.04 2.71 2.95 2z36A1 ASP 170 HB3 0.01 -0.12 0.07 -0.04 2.70 2.61 2z36A1 HIS 171 H -0.14 0.40 0.07 -0.55 8.41 8.20 2z36A1 HIS 171 HA -0.01 0.03 0.32 -0.75 4.63 4.21 2z36A1 HIS 171 HB2 -0.31 0.03 0.15 -0.04 3.26 3.10 2z36A1 HIS 171 HB3 -0.09 0.02 -0.00 -0.04 3.20 3.08 2z36A1 HIS 171 HD2 -0.10 -0.04 -0.11 -0.04 6.97 6.68 2z36A1 HIS 171 HE1 0.11 0.02 0.02 -0.04 7.75 7.85 2z36A1 ASP 172 H 0.02 0.14 -0.31 -0.55 8.40 7.71 2z36A1 ASP 172 HA 0.06 0.08 0.37 -0.75 4.63 4.39 2z36A1 ASP 172 HB2 0.03 -0.01 0.02 -0.04 2.71 2.71 2z36A1 ASP 172 HB3 0.05 0.03 -0.06 -0.04 2.70 2.68 2z36A1 PHE 173 H 0.15 0.24 -0.13 -0.55 8.34 8.04 2z36A1 PHE 173 HA -0.06 0.04 0.45 -0.75 4.62 4.29 2z36A1 PHE 173 HB2 -0.09 -0.00 0.13 -0.04 3.15 3.14 2z36A1 PHE 173 HB3 -0.18 0.11 0.19 -0.04 3.06 3.13 2z36A1 PHE 173 HD2 -0.33 -0.00 -0.05 -0.04 7.28 6.86 2z36A1 PHE 173 HE2 -0.09 -0.01 -0.02 -0.04 7.38 7.22 2z36A1 PHE 173 HZ 0.02 0.11 -0.19 -0.04 7.32 7.22 2z36A1 PHE 174 H 0.18 0.49 -0.06 -0.55 8.34 8.39 2z36A1 PHE 174 HA -0.35 -0.02 0.34 -0.75 4.62 3.84 2z36A1 PHE 174 HB2 -0.05 -0.01 0.00 -0.04 3.15 3.05 2z36A1 PHE 174 HB3 -0.09 0.10 -0.03 -0.04 3.06 3.00 2z36A1 PHE 174 HD2 -0.08 0.01 -0.15 -0.04 7.28 7.02 2z36A1 PHE 174 HE2 -0.13 0.07 -0.01 -0.04 7.38 7.27 2z36A1 PHE 174 HZ -0.21 0.01 -0.05 -0.04 7.32 7.03 2z36A1 GLN 175 H 0.00 0.55 -0.38 -0.55 8.47 8.10 2z36A1 GLN 175 HA -0.11 0.02 0.46 -0.75 4.36 3.97 2z36A1 GLN 175 HB2 0.05 0.10 0.07 -0.04 2.15 2.33 2z36A1 GLN 175 HB3 0.00 0.06 0.10 -0.04 2.02 2.15 2z36A1 GLN 175 HG2 -0.06 -0.04 -0.08 -0.04 2.40 2.18 2z36A1 GLN 175 HG3 -0.05 -0.00 0.06 -0.04 2.39 2.35 2z36A1 GLN 175 HE21 0.10 0.03 -0.01 -0.04 6.97 7.05 2z36A1 GLN 175 HE22 -0.08 -0.00 -0.03 -0.04 7.69 7.54 2z36A1 SER 176 H -0.16 0.55 -0.01 -0.55 8.46 8.30 2z36A1 SER 176 HA -0.11 0.06 0.50 -0.75 4.49 4.18 2z36A1 SER 176 HB2 -0.10 -0.06 0.03 -0.04 3.95 3.78 2z36A1 SER 176 HB3 -0.06 0.00 0.11 -0.04 3.93 3.94 2z36A1 ARG 177 H -0.50 0.54 -0.04 -0.55 8.46 7.91 2z36A1 ARG 177 HA -0.25 0.06 0.49 -0.75 4.34 3.88 2z36A1 ARG 177 HB2 -0.62 0.01 0.02 -0.04 1.90 1.27 2z36A1 ARG 177 HB3 -0.35 0.05 0.00 -0.04 1.80 1.46 2z36A1 ARG 177 HG2 -1.30 0.36 0.08 -0.04 1.67 0.77 2z36A1 ARG 177 HG3 -1.24 -0.04 -0.07 -0.04 1.67 0.28 2z36A1 ARG 177 HD2 -0.22 0.03 0.01 -0.04 3.22 3.01 2z36A1 ARG 177 HD3 -0.30 -0.05 -0.12 -0.04 3.22 2.71 2z36A1 THR 178 H -0.54 0.44 -0.18 -0.55 8.28 7.45 2z36A1 THR 178 HA -0.49 -0.01 0.34 -0.75 4.39 3.47 2z36A1 THR 178 HB -0.51 0.17 0.19 -0.04 4.32 4.14 2z36A1 THR 178 HG23 -0.85 -0.02 -0.16 -0.04 1.22 0.15 2z36A1 THR 179 H -0.20 0.49 -0.32 -0.55 8.28 7.71 2z36A1 THR 179 HA 0.04 0.04 0.34 -0.75 4.39 4.07 2z36A1 THR 179 HB -0.08 0.07 0.11 -0.04 4.32 4.38 2z36A1 THR 179 HG23 -0.03 -0.03 -0.11 -0.04 1.22 1.01 2z36A1 MET 180 H -0.12 0.41 -0.32 -0.55 8.47 7.89 2z36A1 MET 180 HA -0.02 0.02 0.51 -0.75 4.52 4.28 2z36A1 MET 180 HB2 -0.07 0.24 0.19 -0.04 2.15 2.47 2z36A1 MET 180 HB3 -0.04 0.03 0.03 -0.04 2.03 2.01 2z36A1 MET 180 HG2 0.00 -0.09 -0.06 -0.04 2.63 2.44 2z36A1 MET 180 HG3 -0.02 -0.03 0.05 -0.04 2.56 2.53 2z36A1 MET 180 HE3 -0.04 0.00 -0.03 -0.04 2.10 2.00 2z36A1 MET 181 H -0.11 0.57 -0.19 -0.55 8.47 8.18 2z36A1 MET 181 HA 0.18 -0.07 0.44 -0.75 4.52 4.31 2z36A1 MET 181 HB2 -0.24 0.22 0.10 -0.04 2.15 2.19 2z36A1 MET 181 HB3 -0.33 -0.07 0.09 -0.04 2.03 1.69 2z36A1 MET 181 HG2 -0.57 -0.14 0.03 -0.04 2.63 1.92 2z36A1 MET 181 HG3 -0.21 0.17 0.02 -0.04 2.56 2.49 2z36A1 MET 181 HE3 -1.11 -0.01 -0.02 -0.04 2.10 0.91 2z36A1 VAL 182 H 0.02 0.25 -0.93 -0.55 8.24 7.03 2z36A1 VAL 182 HA 0.07 0.13 0.81 -0.75 4.13 4.39 2z36A1 VAL 182 HB 0.02 0.11 0.00 -0.04 2.12 2.21 2z36A1 VAL 182 HG13 -0.02 -0.03 0.07 -0.04 0.97 0.95 2z36A1 VAL 182 HG23 0.08 0.01 -0.12 -0.04 0.95 0.88 2z36A1 SER 183 H 0.04 0.58 -0.20 -0.55 8.46 8.34 2z36A1 SER 183 HA 0.01 -0.03 0.42 -0.75 4.49 4.14 2z36A1 SER 183 HB2 0.01 -0.06 0.25 -0.04 3.95 4.11 2z36A1 SER 183 HB3 0.03 0.06 0.12 -0.04 3.93 4.10 2z36A1 ARG 184 H 0.02 0.04 0.21 -0.55 8.46 8.18 2z36A1 ARG 184 HA 0.04 0.19 0.60 -0.75 4.34 4.41 2z36A1 ARG 184 HB2 0.05 0.06 0.12 -0.04 1.90 2.10 2z36A1 ARG 184 HB3 0.01 -0.06 0.09 -0.04 1.80 1.79 2z36A1 ARG 184 HG2 -0.01 -0.04 -0.02 -0.04 1.67 1.56 2z36A1 ARG 184 HG3 0.08 0.03 0.06 -0.04 1.67 1.80 2z36A1 ARG 184 HD2 0.07 0.03 0.01 -0.04 3.22 3.29 2z36A1 ARG 184 HD3 -0.06 -0.03 -0.01 -0.04 3.22 3.08 2z36A1 THR 185 H 0.01 0.06 0.03 -0.55 8.28 7.82 2z36A1 THR 185 HA 0.00 0.21 0.99 -0.75 4.39 4.84 2z36A1 THR 185 HB -0.00 -0.00 0.06 -0.04 4.32 4.34 2z36A1 THR 185 HG23 -0.00 -0.01 -0.06 -0.04 1.22 1.10 2z36A1 SER 186 H 0.00 0.14 0.09 -0.55 8.46 8.15 2z36A1 SER 186 HA 0.00 -0.01 0.46 -0.75 4.49 4.19 2z36A1 SER 186 HB2 0.00 0.08 -0.06 -0.04 3.95 3.93 2z36A1 SER 186 HB3 0.01 0.39 0.34 -0.04 3.93 4.63 2z36A1 MET 187 H 0.00 0.19 0.14 -0.55 8.47 8.25 2z36A1 MET 187 HA 0.00 0.22 0.44 -0.75 4.52 4.43 2z36A1 MET 187 HB2 -0.01 -0.02 0.08 -0.04 2.15 2.16 2z36A1 MET 187 HB3 -0.02 0.04 0.10 -0.04 2.03 2.12 2z36A1 MET 187 HG2 -0.00 -0.04 0.04 -0.04 2.63 2.58 2z36A1 MET 187 HG3 -0.01 0.03 0.03 -0.04 2.56 2.57 2z36A1 MET 187 HE3 -0.02 -0.00 0.03 -0.04 2.10 2.07 2z36A1 GLU 188 H 0.00 -0.04 -0.37 -0.55 8.60 7.65 2z36A1 GLU 188 HA 0.00 0.19 0.73 -0.75 4.29 4.46 2z36A1 GLU 188 HB2 0.01 -0.04 0.06 -0.04 2.09 2.07 2z36A1 GLU 188 HB3 0.01 0.06 -0.07 -0.04 1.99 1.95 2z36A1 GLU 188 HG2 -0.00 -0.04 -0.07 -0.04 2.34 2.19 2z36A1 GLU 188 HG3 0.00 0.05 -0.01 -0.04 2.34 2.33 2z36A1 ASP 189 H 0.02 0.09 -0.10 -0.55 8.40 7.86 2z36A1 ASP 189 HA 0.02 0.05 0.37 -0.75 4.63 4.32 2z36A1 ASP 189 HB2 0.02 0.27 0.23 -0.04 2.71 3.19 2z36A1 ASP 189 HB3 0.02 0.05 0.01 -0.04 2.70 2.73 2z36A1 ARG 190 H 0.04 0.31 -0.28 -0.55 8.46 7.98 2z36A1 ARG 190 HA 0.14 0.12 0.25 -0.75 4.34 4.09 2z36A1 ARG 190 HB2 0.04 -0.04 0.03 -0.04 1.90 1.89 2z36A1 ARG 190 HB3 0.20 0.05 0.02 -0.04 1.80 2.03 2z36A1 ARG 190 HG2 0.09 0.17 -0.03 -0.04 1.67 1.86 2z36A1 ARG 190 HG3 0.05 0.08 -0.00 -0.04 1.67 1.76 2z36A1 ARG 190 HD2 0.03 -0.14 -0.04 -0.04 3.22 3.04 2z36A1 ARG 190 HD3 0.09 0.10 -0.06 -0.04 3.22 3.31 2z36A1 ARG 191 H 0.02 0.26 -0.29 -0.55 8.46 7.90 2z36A1 ARG 191 HA -0.05 0.01 0.37 -0.75 4.34 3.91 2z36A1 ARG 191 HB2 -0.04 0.16 0.21 -0.04 1.90 2.19 2z36A1 ARG 191 HB3 0.00 0.06 0.16 -0.04 1.80 1.98 2z36A1 ARG 191 HG2 -0.01 -0.03 -0.09 -0.04 1.67 1.50 2z36A1 ARG 191 HG3 -0.07 -0.01 0.05 -0.04 1.67 1.61 2z36A1 ARG 191 HD2 -0.03 0.01 0.02 -0.04 3.22 3.17 2z36A1 ARG 191 HD3 -0.01 -0.02 -0.01 -0.04 3.22 3.14 2z36A1 ARG 192 H 0.05 0.73 -0.30 -0.55 8.46 8.39 2z36A1 ARG 192 HA 0.06 -0.02 0.43 -0.75 4.34 4.05 2z36A1 ARG 192 HB2 0.03 -0.04 0.06 -0.04 1.90 1.91 2z36A1 ARG 192 HB3 0.04 0.12 0.10 -0.04 1.80 2.01 2z36A1 ARG 192 HG2 0.04 0.01 -0.09 -0.04 1.67 1.59 2z36A1 ARG 192 HG3 0.05 -0.05 0.07 -0.04 1.67 1.69 2z36A1 ARG 192 HD2 0.03 -0.02 -0.02 -0.04 3.22 3.18 2z36A1 ARG 192 HD3 0.03 -0.03 -0.02 -0.04 3.22 3.15 2z36A1 ALA 193 H 0.11 0.40 -0.42 -0.55 8.40 7.95 2z36A1 ALA 193 HA -0.00 -0.02 0.51 -0.75 4.34 4.08 2z36A1 ALA 193 HB3 0.02 0.07 0.13 -0.04 1.41 1.59 2z36A1 PHE 194 H 0.50 0.61 0.10 -0.55 8.34 9.00 2z36A1 PHE 194 HA 0.18 -0.02 0.34 -0.75 4.62 4.37 2z36A1 PHE 194 HB2 0.01 0.09 0.15 -0.04 3.15 3.37 2z36A1 PHE 194 HB3 -0.02 -0.04 -0.02 -0.04 3.06 2.94 2z36A1 PHE 194 HD2 -0.01 0.12 0.04 -0.04 7.28 7.39 2z36A1 PHE 194 HE2 0.08 0.08 0.05 -0.04 7.38 7.55 2z36A1 PHE 194 HZ 0.07 0.04 0.02 -0.04 7.32 7.42 2z36A1 ALA 195 H 0.20 0.56 -0.25 -0.55 8.40 8.36 2z36A1 ALA 195 HA 0.11 -0.03 0.32 -0.75 4.34 3.99 2z36A1 ALA 195 HB3 0.08 0.05 0.09 -0.04 1.41 1.59 2z36A1 GLU 196 H 0.13 0.51 -0.07 -0.55 8.60 8.62 2z36A1 GLU 196 HA 0.19 -0.03 0.38 -0.75 4.29 4.07 2z36A1 GLU 196 HB2 0.14 0.09 0.11 -0.04 2.09 2.39 2z36A1 GLU 196 HB3 0.34 -0.09 0.10 -0.04 1.99 2.30 2z36A1 GLU 196 HG2 0.12 -0.10 0.09 -0.04 2.34 2.41 2z36A1 GLU 196 HG3 0.10 0.42 0.24 -0.04 2.34 3.06 2z36A1 LEU 197 H 0.17 0.55 -0.39 -0.55 8.37 8.15 2z36A1 LEU 197 HA 0.38 -0.01 0.58 -0.75 4.35 4.53 2z36A1 LEU 197 HB2 0.06 0.20 0.13 -0.04 1.64 1.99 2z36A1 LEU 197 HB3 0.27 -0.02 -0.00 -0.04 1.64 1.84 2z36A1 LEU 197 HG -0.37 -0.02 -0.05 -0.04 1.64 1.16 2z36A1 LEU 197 HD13 -0.63 0.01 -0.09 -0.04 0.93 0.17 2z36A1 LEU 197 HD23 0.09 -0.03 0.01 -0.04 0.89 0.93 2z36A1 ARG 198 H 0.38 0.88 0.18 -0.55 8.46 9.36 2z36A1 ARG 198 HA 0.59 -0.04 0.35 -0.75 4.34 4.48 2z36A1 ARG 198 HB2 0.03 0.07 0.08 -0.04 1.90 2.03 2z36A1 ARG 198 HB3 0.10 0.07 0.02 -0.04 1.80 1.95 2z36A1 ARG 198 HG2 0.07 -0.05 0.08 -0.04 1.67 1.72 2z36A1 ARG 198 HG3 -0.31 0.00 -0.01 -0.04 1.67 1.32 2z36A1 ARG 198 HD2 -0.02 0.01 -0.05 -0.04 3.22 3.13 2z36A1 ARG 198 HD3 0.06 0.01 -0.14 -0.04 3.22 3.10 2z36A1 ALA 199 H 0.23 0.36 -0.67 -0.55 8.40 7.78 2z36A1 ALA 199 HA 0.12 0.03 0.50 -0.75 4.34 4.24 2z36A1 ALA 199 HB3 0.14 0.05 0.06 -0.04 1.41 1.61 2z36A1 TYR 200 H 0.36 0.46 0.09 -0.55 8.29 8.65 2z36A1 TYR 200 HA 0.05 -0.01 0.43 -0.75 4.56 4.28 2z36A1 TYR 200 HB2 0.13 0.05 0.20 -0.04 3.06 3.40 2z36A1 TYR 200 HB3 0.36 0.08 0.30 -0.04 2.98 3.67 2z36A1 TYR 200 HD2 0.10 0.01 -0.03 -0.04 7.15 7.19 2z36A1 TYR 200 HE2 0.08 0.00 -0.04 -0.04 6.85 6.85 2z36A1 ILE 201 H 0.36 0.76 -0.01 -0.55 8.25 8.81 2z36A1 ILE 201 HA 0.03 -0.00 0.37 -0.75 4.18 3.83 2z36A1 ILE 201 HB 0.33 0.08 0.02 -0.04 1.89 2.27 2z36A1 ILE 201 HG12 0.40 -0.04 -0.02 -0.04 1.49 1.79 2z36A1 ILE 201 HG13 0.43 0.08 -0.01 -0.04 1.21 1.67 2z36A1 ILE 201 HG23 0.25 -0.01 -0.10 -0.04 0.93 1.03 2z36A1 ILE 201 HD13 -0.09 -0.01 -0.11 -0.04 0.88 0.63 2z36A1 ASP 202 H 0.12 0.42 -0.40 -0.55 8.40 8.00 2z36A1 ASP 202 HA -0.01 -0.03 0.43 -0.75 4.63 4.27 2z36A1 ASP 202 HB2 0.12 0.31 0.26 -0.04 2.71 3.37 2z36A1 ASP 202 HB3 0.10 0.10 0.21 -0.04 2.70 3.07 2z36A1 ASP 203 H -0.00 0.59 -0.05 -0.55 8.40 8.39 2z36A1 ASP 203 HA -0.01 0.02 0.53 -0.75 4.63 4.42 2z36A1 ASP 203 HB2 -0.08 0.08 0.11 -0.04 2.71 2.79 2z36A1 ASP 203 HB3 -0.04 -0.04 0.06 -0.04 2.70 2.63 2z36A1 LEU 204 H -0.23 0.70 -0.04 -0.55 8.37 8.25 2z36A1 LEU 204 HA -0.19 0.01 0.38 -0.75 4.35 3.81 2z36A1 LEU 204 HB2 -0.71 0.13 0.09 -0.04 1.64 1.11 2z36A1 LEU 204 HB3 -0.22 0.06 0.11 -0.04 1.64 1.55 2z36A1 LEU 204 HG -0.12 -0.07 -0.07 -0.04 1.64 1.34 2z36A1 LEU 204 HD13 0.19 0.01 -0.28 -0.04 0.93 0.80 2z36A1 LEU 204 HD23 -0.10 -0.00 0.04 -0.04 0.89 0.79 2z36A1 ILE 205 H -0.25 0.54 -0.30 -0.55 8.25 7.69 2z36A1 ILE 205 HA -0.45 -0.00 0.38 -0.75 4.18 3.35 2z36A1 ILE 205 HB -0.29 0.18 0.15 -0.04 1.89 1.90 2z36A1 ILE 205 HG12 -1.79 -0.09 -0.01 -0.04 1.49 -0.43 2z36A1 ILE 205 HG13 -0.82 0.27 0.08 -0.04 1.21 0.71 2z36A1 ILE 205 HG23 -0.27 -0.03 -0.15 -0.04 0.93 0.44 2z36A1 ILE 205 HD13 -0.46 -0.03 -0.12 -0.04 0.88 0.23 2z36A1 THR 206 H 0.01 0.38 -0.16 -0.55 8.28 7.97 2z36A1 THR 206 HA 0.02 -0.05 0.37 -0.75 4.39 3.98 2z36A1 THR 206 HB -0.03 0.16 0.18 -0.04 4.32 4.59 2z36A1 THR 206 HG23 -0.05 -0.02 -0.03 -0.04 1.22 1.07 2z36A1 ARG 207 H -0.06 0.54 -0.25 -0.55 8.46 8.15 2z36A1 ARG 207 HA -0.03 -0.00 0.40 -0.75 4.34 3.96 2z36A1 ARG 207 HB2 -0.05 0.18 0.14 -0.04 1.90 2.12 2z36A1 ARG 207 HB3 -0.03 0.01 0.01 -0.04 1.80 1.75 2z36A1 ARG 207 HG2 -0.03 -0.06 0.03 -0.04 1.67 1.56 2z36A1 ARG 207 HG3 -0.05 0.12 0.04 -0.04 1.67 1.74 2z36A1 ARG 207 HD2 -0.10 -0.05 -0.08 -0.04 3.22 2.95 2z36A1 ARG 207 HD3 -0.04 0.01 0.01 -0.04 3.22 3.16 2z36A1 LYS 208 H -0.06 0.35 -0.23 -0.55 8.42 7.93 2z36A1 LYS 208 HA -0.00 0.16 0.23 -0.75 4.32 3.96 2z36A1 LYS 208 HB2 -0.09 0.13 0.12 -0.04 1.87 1.99 2z36A1 LYS 208 HB3 0.01 -0.18 -0.09 -0.04 1.79 1.49 2z36A1 LYS 208 HG2 -0.02 0.38 0.06 -0.04 1.46 1.84 2z36A1 LYS 208 HG3 0.10 -0.15 -0.06 -0.04 1.46 1.30 2z36A1 LYS 208 HD2 0.06 -0.22 -0.00 -0.04 1.69 1.49 2z36A1 LYS 208 HD3 0.02 0.16 -0.03 -0.04 1.68 1.79 2z36A1 LYS 208 HE2 0.07 0.01 -0.04 -0.04 2.99 2.98 2z36A1 LYS 208 HE3 0.16 -0.04 -0.05 -0.04 2.99 3.02 2z36A1 GLU 209 H -0.03 0.50 -0.26 -0.55 8.60 8.26 2z36A1 GLU 209 HA -0.01 -0.08 0.29 -0.75 4.29 3.74 2z36A1 GLU 209 HB2 -0.01 0.28 0.12 -0.04 2.09 2.44 2z36A1 GLU 209 HB3 -0.00 -0.09 0.01 -0.04 1.99 1.87 2z36A1 GLU 209 HG2 0.01 -0.09 0.01 -0.04 2.34 2.23 2z36A1 GLU 209 HG3 -0.01 0.18 -0.01 -0.04 2.34 2.46 2z36A1 SER 210 H -0.01 0.42 -0.59 -0.55 8.46 7.73 2z36A1 SER 210 HA -0.01 0.02 0.83 -0.75 4.49 4.57 2z36A1 SER 210 HB2 -0.01 -0.07 0.06 -0.04 3.95 3.89 2z36A1 SER 210 HB3 -0.01 -0.08 -0.00 -0.04 3.93 3.80 2z36A1 GLU 211 H -0.00 0.08 0.01 -0.55 8.60 8.14 2z36A1 GLU 211 HA -0.00 -0.07 0.39 -0.75 4.29 3.85 2z36A1 GLU 211 HB2 -0.00 -0.13 -0.08 -0.04 2.09 1.84 2z36A1 GLU 211 HB3 -0.00 0.23 0.56 -0.04 1.99 2.74 2z36A1 GLU 211 HG2 -0.00 0.14 -0.03 -0.04 2.34 2.41 2z36A1 GLU 211 HG3 -0.00 -0.07 0.05 -0.04 2.34 2.27 2z36A1 PRO 212 HA 0.01 0.12 0.60 -0.51 4.44 4.66 2z36A1 PRO 212 HB2 0.01 0.03 0.14 -0.04 2.28 2.42 2z36A1 PRO 212 HB3 0.02 -0.14 0.18 -0.04 2.02 2.04 2z36A1 PRO 212 HG2 0.01 -0.02 0.06 -0.04 2.03 2.03 2z36A1 PRO 212 HG3 0.01 0.41 0.00 -0.04 2.03 2.41 2z36A1 PRO 212 HD2 0.00 0.04 0.14 -0.04 3.68 3.83 2z36A1 PRO 212 HD3 0.00 -0.11 0.19 -0.04 3.65 3.69 2z36A1 GLY 213 H 0.02 0.09 0.15 -0.55 8.43 8.14 2z36A1 GLY 213 HA2 0.00 0.15 0.49 -0.51 4.01 4.14 2z36A1 GLY 213 HA3 0.01 0.04 0.35 -0.51 4.01 3.89 2z36A1 ASP 214 H -0.00 0.21 0.05 -0.55 8.40 8.11 2z36A1 ASP 214 HA -0.01 0.20 0.91 -0.75 4.63 4.97 2z36A1 ASP 214 HB2 -0.01 -0.01 0.04 -0.04 2.71 2.68 2z36A1 ASP 214 HB3 -0.02 0.01 0.22 -0.04 2.70 2.88 2z36A1 ASP 215 H -0.00 0.17 -0.12 -0.55 8.40 7.90 2z36A1 ASP 215 HA -0.06 0.31 0.76 -0.75 4.63 4.88 2z36A1 ASP 215 HB2 -0.09 0.22 -0.09 -0.04 2.71 2.71 2z36A1 ASP 215 HB3 -0.04 0.13 -0.06 -0.04 2.70 2.68 2z36A1 LEU 216 H -0.14 0.63 0.20 -0.55 8.37 8.51 2z36A1 LEU 216 HA -0.07 0.03 0.43 -0.75 4.35 4.00 2z36A1 LEU 216 HB2 -0.18 0.11 0.07 -0.04 1.64 1.60 2z36A1 LEU 216 HB3 -0.25 -0.01 0.12 -0.04 1.64 1.46 2z36A1 LEU 216 HG -0.07 -0.03 0.04 -0.04 1.64 1.53 2z36A1 LEU 216 HD13 -0.16 0.01 -0.04 -0.04 0.93 0.70 2z36A1 LEU 216 HD23 -0.03 -0.01 -0.24 -0.04 0.89 0.56 2z36A1 PHE 217 H -0.07 0.51 0.05 -0.55 8.34 8.28 2z36A1 PHE 217 HA -0.02 0.03 0.41 -0.75 4.62 4.28 2z36A1 PHE 217 HB2 -0.03 0.09 0.15 -0.04 3.15 3.32 2z36A1 PHE 217 HB3 -0.03 0.01 -0.04 -0.04 3.06 2.96 2z36A1 PHE 217 HD2 -0.04 0.01 -0.08 -0.04 7.28 7.14 2z36A1 PHE 217 HE2 -0.03 -0.00 -0.07 -0.04 7.38 7.24 2z36A1 PHE 217 HZ -0.00 -0.04 -0.02 -0.04 7.32 7.21 2z36A1 SER 218 H 0.13 0.12 -0.18 -0.55 8.46 7.99 2z36A1 SER 218 HA 0.05 0.09 0.32 -0.75 4.49 4.19 2z36A1 SER 218 HB2 0.03 0.07 0.12 -0.04 3.95 4.13 2z36A1 SER 218 HB3 0.02 0.09 0.09 -0.04 3.93 4.09 2z36A1 ARG 219 H 0.02 0.51 -0.12 -0.55 8.46 8.32 2z36A1 ARG 219 HA 0.01 0.01 0.40 -0.75 4.34 4.00 2z36A1 ARG 219 HB2 -0.01 0.09 0.14 -0.04 1.90 2.08 2z36A1 ARG 219 HB3 -0.01 -0.04 0.01 -0.04 1.80 1.72 2z36A1 ARG 219 HG2 -0.01 -0.04 0.04 -0.04 1.67 1.62 2z36A1 ARG 219 HG3 -0.01 0.12 0.06 -0.04 1.67 1.79 2z36A1 ARG 219 HD2 -0.03 -0.03 -0.04 -0.04 3.22 3.07 2z36A1 ARG 219 HD3 -0.03 -0.03 -0.05 -0.04 3.22 3.08 2z36A1 GLN 220 H 0.06 0.60 -0.21 -0.55 8.47 8.36 2z36A1 GLN 220 HA 0.03 0.04 0.57 -0.75 4.36 4.24 2z36A1 GLN 220 HB2 0.11 0.16 0.26 -0.04 2.15 2.64 2z36A1 GLN 220 HB3 0.07 -0.11 0.01 -0.04 2.02 1.95 2z36A1 GLN 220 HG2 0.04 0.06 0.07 -0.04 2.40 2.53 2z36A1 GLN 220 HG3 0.08 -0.07 0.01 -0.04 2.39 2.36 2z36A1 GLN 220 HE21 0.02 0.17 0.12 -0.04 6.97 7.24 2z36A1 GLN 220 HE22 0.02 -0.08 -0.05 -0.04 7.69 7.53 2z36A1 ILE 221 H 0.05 0.74 0.09 -0.55 8.25 8.57 2z36A1 ILE 221 HA 0.02 -0.09 0.36 -0.75 4.18 3.72 2z36A1 ILE 221 HB 0.02 0.15 0.07 -0.04 1.89 2.09 2z36A1 ILE 221 HG12 -0.02 -0.13 -0.00 -0.04 1.49 1.30 2z36A1 ILE 221 HG13 0.02 0.29 0.05 -0.04 1.21 1.53 2z36A1 ILE 221 HG23 0.01 -0.02 -0.05 -0.04 0.93 0.82 2z36A1 ILE 221 HD13 -0.05 -0.02 -0.19 -0.04 0.88 0.59 2z36A1 ALA 222 H 0.02 0.50 -0.36 -0.55 8.40 8.01 2z36A1 ALA 222 HA 0.01 0.02 0.43 -0.75 4.34 4.04 2z36A1 ALA 222 HB3 0.01 0.04 0.08 -0.04 1.41 1.50 2z36A1 ARG 223 H 0.01 0.47 -0.07 -0.55 8.46 8.32 2z36A1 ARG 223 HA 0.01 0.02 0.45 -0.75 4.34 4.06 2z36A1 ARG 223 HB2 0.01 0.16 0.27 -0.04 1.90 2.30 2z36A1 ARG 223 HB3 0.01 -0.03 -0.01 -0.04 1.80 1.73 2z36A1 ARG 223 HG2 0.00 0.01 0.06 -0.04 1.67 1.71 2z36A1 ARG 223 HG3 0.01 0.00 0.05 -0.04 1.67 1.69 2z36A1 ARG 223 HD2 0.01 -0.02 0.01 -0.04 3.22 3.18 2z36A1 ARG 223 HD3 0.00 -0.02 0.06 -0.04 3.22 3.23 2z36A1 GLN 224 H 0.02 0.57 -0.07 -0.55 8.47 8.44 2z36A1 GLN 224 HA 0.01 -0.03 0.35 -0.75 4.36 3.94 2z36A1 GLN 224 HB2 0.02 0.08 0.04 -0.04 2.15 2.25 2z36A1 GLN 224 HB3 0.02 0.02 -0.27 -0.04 2.02 1.75 2z36A1 GLN 224 HG2 0.02 0.00 0.02 -0.04 2.40 2.40 2z36A1 GLN 224 HG3 0.02 0.10 0.04 -0.04 2.39 2.51 2z36A1 GLN 224 HE21 0.03 -0.06 -0.06 -0.04 6.97 6.83 2z36A1 GLN 224 HE22 0.03 0.08 -0.07 -0.04 7.69 7.69 2z36A1 ARG 225 H 0.01 0.42 -0.38 -0.55 8.46 7.96 2z36A1 ARG 225 HA 0.01 -0.05 0.28 -0.75 4.34 3.83 2z36A1 ARG 225 HB2 0.01 0.12 0.19 -0.04 1.90 2.18 2z36A1 ARG 225 HB3 0.00 -0.03 -0.04 -0.04 1.80 1.70 2z36A1 ARG 225 HG2 0.01 -0.09 0.02 -0.04 1.67 1.57 2z36A1 ARG 225 HG3 0.01 0.02 0.05 -0.04 1.67 1.71 2z36A1 ARG 225 HD2 0.01 0.04 -0.06 -0.04 3.22 3.16 2z36A1 ARG 225 HD3 0.00 -0.03 0.01 -0.04 3.22 3.16 2z36A1 GLN 226 H 0.01 0.61 -0.01 -0.55 8.47 8.53 2z36A1 GLN 226 HA 0.00 -0.01 0.34 -0.75 4.36 3.94 2z36A1 GLN 226 HB2 0.00 0.09 0.16 -0.04 2.15 2.35 2z36A1 GLN 226 HB3 0.00 -0.00 0.05 -0.04 2.02 2.03 2z36A1 GLN 226 HG2 0.00 -0.07 0.01 -0.04 2.40 2.31 2z36A1 GLN 226 HG3 0.00 -0.00 0.03 -0.04 2.39 2.38 2z36A1 GLN 226 HE21 0.00 -0.03 0.01 -0.04 6.97 6.90 2z36A1 GLN 226 HE22 0.00 -0.02 0.01 -0.04 7.69 7.64 2z36A1 GLU 227 H 0.01 0.59 -0.35 -0.55 8.60 8.30 2z36A1 GLU 227 HA 0.00 0.01 0.58 -0.75 4.29 4.14 2z36A1 GLU 227 HB2 0.01 0.02 0.17 -0.04 2.09 2.25 2z36A1 GLU 227 HB3 0.01 -0.09 0.04 -0.04 1.99 1.91 2z36A1 GLU 227 HG2 0.00 -0.04 -0.03 -0.04 2.34 2.23 2z36A1 GLU 227 HG3 0.01 -0.06 -0.05 -0.04 2.34 2.20 2z36A1 GLY 228 H 0.01 0.10 0.11 -0.55 8.43 8.11 2z36A1 GLY 228 HA2 0.01 0.18 0.99 -0.51 4.01 4.68 2z36A1 GLY 228 HA3 0.01 -0.12 0.37 -0.51 4.01 3.76 2z36A1 THR 229 H 0.01 0.15 0.24 -0.55 8.28 8.14 2z36A1 THR 229 HA 0.01 0.13 0.43 -0.75 4.39 4.20 2z36A1 THR 229 HB 0.01 -0.06 -0.27 -0.04 4.32 3.97 2z36A1 THR 229 HG23 0.01 -0.04 -0.10 -0.04 1.22 1.05 2z36A1 LEU 230 H 0.01 0.12 0.08 -0.55 8.37 8.04 2z36A1 LEU 230 HA 0.02 0.05 0.36 -0.75 4.35 4.03 2z36A1 LEU 230 HB2 0.02 0.10 0.09 -0.04 1.64 1.80 2z36A1 LEU 230 HB3 0.02 0.02 0.11 -0.04 1.64 1.74 2z36A1 LEU 230 HG 0.04 -0.09 -0.01 -0.04 1.64 1.54 2z36A1 LEU 230 HD13 0.03 0.04 0.00 -0.04 0.93 0.96 2z36A1 LEU 230 HD23 0.06 0.01 -0.25 -0.04 0.89 0.67 2z36A1 ASP 231 H 0.03 0.17 -0.01 -0.55 8.40 8.05 2z36A1 ASP 231 HA 0.04 0.15 0.67 -0.75 4.63 4.74 2z36A1 ASP 231 HB2 0.03 0.22 -0.06 -0.04 2.71 2.85 2z36A1 ASP 231 HB3 0.03 0.03 0.15 -0.04 2.70 2.86 2z36A1 HIS 232 H 0.12 0.25 0.01 -0.55 8.41 8.25 2z36A1 HIS 232 HA -0.03 0.10 0.38 -0.75 4.63 4.32 2z36A1 HIS 232 HB2 -0.02 0.06 0.12 -0.04 3.26 3.37 2z36A1 HIS 232 HB3 -0.01 -0.04 0.11 -0.04 3.20 3.22 2z36A1 HIS 232 HD2 -0.01 -0.02 -0.14 -0.04 6.97 6.76 2z36A1 HIS 232 HE1 -0.09 0.11 0.10 -0.04 7.75 7.82 2z36A1 ALA 233 H 0.11 0.12 -0.11 -0.55 8.40 7.97 2z36A1 ALA 233 HA 0.03 0.10 0.44 -0.75 4.34 4.15 2z36A1 ALA 233 HB3 0.05 0.03 0.06 -0.04 1.41 1.51 2z36A1 GLY 234 H 0.03 0.07 -0.17 -0.55 8.43 7.82 2z36A1 GLY 234 HA2 0.04 0.06 0.34 -0.51 4.01 3.95 2z36A1 GLY 234 HA3 0.03 0.10 0.30 -0.51 4.01 3.93 2z36A1 LEU 235 H -0.02 0.47 -0.34 -0.55 8.37 7.94 2z36A1 LEU 235 HA 0.07 0.05 0.49 -0.75 4.35 4.20 2z36A1 LEU 235 HB2 -0.02 0.00 0.06 -0.04 1.64 1.63 2z36A1 LEU 235 HB3 -0.16 0.14 0.14 -0.04 1.64 1.71 2z36A1 LEU 235 HG -0.06 -0.02 -0.13 -0.04 1.64 1.39 2z36A1 LEU 235 HD13 0.18 -0.01 0.04 -0.04 0.93 1.10 2z36A1 LEU 235 HD23 -0.11 -0.01 -0.02 -0.04 0.89 0.71 2z36A1 VAL 236 H -0.10 0.55 0.06 -0.55 8.24 8.21 2z36A1 VAL 236 HA 0.07 -0.01 0.40 -0.75 4.13 3.84 2z36A1 VAL 236 HB -0.02 0.09 0.24 -0.04 2.12 2.39 2z36A1 VAL 236 HG13 0.15 -0.02 -0.11 -0.04 0.97 0.95 2z36A1 VAL 236 HG23 -0.23 0.02 0.02 -0.04 0.95 0.72 2z36A1 SER 237 H 0.07 0.66 -0.26 -0.55 8.46 8.39 2z36A1 SER 237 HA 0.15 -0.00 0.40 -0.75 4.49 4.28 2z36A1 SER 237 HB2 0.06 -0.03 0.01 -0.04 3.95 3.95 2z36A1 SER 237 HB3 0.07 0.19 0.14 -0.04 3.93 4.30 2z36A1 LEU 238 H 0.12 0.46 -0.14 -0.55 8.37 8.26 2z36A1 LEU 238 HA 0.12 -0.01 0.43 -0.75 4.35 4.13 2z36A1 LEU 238 HB2 0.10 0.10 0.17 -0.04 1.64 1.97 2z36A1 LEU 238 HB3 0.15 0.10 0.19 -0.04 1.64 2.04 2z36A1 LEU 238 HG 0.11 -0.07 -0.16 -0.04 1.64 1.48 2z36A1 LEU 238 HD13 0.10 -0.01 0.03 -0.04 0.93 1.02 2z36A1 LEU 238 HD23 0.09 0.00 -0.03 -0.04 0.89 0.92 2z36A1 ALA 239 H 0.22 0.56 -0.12 -0.55 8.40 8.51 2z36A1 ALA 239 HA 0.06 -0.01 0.36 -0.75 4.34 3.99 2z36A1 ALA 239 HB3 0.27 0.05 0.09 -0.04 1.41 1.78 2z36A1 PHE 240 H 0.37 0.45 -0.20 -0.55 8.34 8.40 2z36A1 PHE 240 HA 0.07 -0.02 0.42 -0.75 4.62 4.34 2z36A1 PHE 240 HB2 0.10 0.14 0.14 -0.04 3.15 3.49 2z36A1 PHE 240 HB3 0.11 -0.02 -0.02 -0.04 3.06 3.09 2z36A1 PHE 240 HD2 0.08 0.15 0.04 -0.04 7.28 7.51 2z36A1 PHE 240 HE2 -0.06 -0.02 -0.02 -0.04 7.38 7.24 2z36A1 PHE 240 HZ 0.06 -0.06 -0.03 -0.04 7.32 7.25 2z36A1 LEU 241 H 0.20 0.59 -0.13 -0.55 8.37 8.48 2z36A1 LEU 241 HA 0.14 -0.02 0.42 -0.75 4.35 4.14 2z36A1 LEU 241 HB2 0.12 0.02 0.14 -0.04 1.64 1.88 2z36A1 LEU 241 HB3 0.12 0.15 0.22 -0.04 1.64 2.09 2z36A1 LEU 241 HG 0.08 -0.01 -0.22 -0.04 1.64 1.45 2z36A1 LEU 241 HD13 0.08 -0.03 0.06 -0.04 0.93 1.00 2z36A1 LEU 241 HD23 0.09 -0.01 0.00 -0.04 0.89 0.94 2z36A1 LEU 242 H 0.10 0.69 -0.09 -0.55 8.37 8.53 2z36A1 LEU 242 HA 0.08 -0.03 0.35 -0.75 4.35 4.00 2z36A1 LEU 242 HB2 0.07 0.20 0.17 -0.04 1.64 2.03 2z36A1 LEU 242 HB3 0.06 -0.02 -0.04 -0.04 1.64 1.59 2z36A1 LEU 242 HG 0.22 -0.04 -0.03 -0.04 1.64 1.75 2z36A1 LEU 242 HD13 0.14 0.00 -0.04 -0.04 0.93 0.99 2z36A1 LEU 242 HD23 0.09 0.00 -0.07 -0.04 0.89 0.87 2z36A1 LEU 243 H 0.02 0.64 -0.01 -0.55 8.37 8.48 2z36A1 LEU 243 HA 0.02 0.00 0.35 -0.75 4.35 3.97 2z36A1 LEU 243 HB2 -0.06 0.01 0.08 -0.04 1.64 1.64 2z36A1 LEU 243 HB3 -0.14 0.04 0.16 -0.04 1.64 1.66 2z36A1 LEU 243 HG -0.18 -0.01 -0.19 -0.04 1.64 1.22 2z36A1 LEU 243 HD13 -0.11 -0.01 0.02 -0.04 0.93 0.78 2z36A1 LEU 243 HD23 -0.49 -0.01 -0.04 -0.04 0.89 0.31 2z36A1 THR 244 H 0.08 0.80 -0.10 -0.55 8.28 8.51 2z36A1 THR 244 HA 0.10 -0.03 0.43 -0.75 4.39 4.13 2z36A1 THR 244 HB 0.16 0.30 0.26 -0.04 4.32 5.00 2z36A1 THR 244 HG23 0.12 -0.02 -0.12 -0.04 1.22 1.15 2z36A1 ALA 245 H 0.08 0.78 0.01 -0.55 8.40 8.73 2z36A1 ALA 245 HA 0.07 0.06 0.54 -0.75 4.34 4.26 2z36A1 ALA 245 HB3 0.06 -0.01 0.12 -0.04 1.41 1.53 2z36A1 GLY 246 H 0.08 0.36 -0.51 -0.55 8.43 7.81 2z36A1 GLY 246 HA2 0.07 0.12 0.96 -0.51 4.01 4.65 2z36A1 GLY 246 HA3 0.07 0.04 0.26 -0.51 4.01 3.87 2z36A1 HIS 247 H 0.14 0.41 0.07 -0.55 8.41 8.48 2z36A1 HIS 247 HA -0.01 0.10 0.61 -0.75 4.63 4.58 2z36A1 HIS 247 HB2 -0.03 0.10 0.12 -0.04 3.26 3.40 2z36A1 HIS 247 HB3 -0.03 -0.05 0.20 -0.04 3.20 3.28 2z36A1 HIS 247 HD2 -0.05 -0.14 -0.09 -0.04 6.97 6.64 2z36A1 HIS 247 HE1 -0.11 0.04 -0.25 -0.04 7.75 7.38 2z36A1 GLU 248 H 0.01 0.25 0.11 -0.55 8.60 8.41 2z36A1 GLU 248 HA -0.27 0.09 0.39 -0.75 4.29 3.75 2z36A1 GLU 248 HB2 -0.05 0.06 0.12 -0.04 2.09 2.17 2z36A1 GLU 248 HB3 -0.01 0.02 0.07 -0.04 1.99 2.03 2z36A1 GLU 248 HG2 -0.07 -0.03 -0.17 -0.04 2.34 2.02 2z36A1 GLU 248 HG3 -0.10 0.02 0.01 -0.04 2.34 2.23 2z36A1 THR 249 H 0.01 0.15 -0.27 -0.55 8.28 7.62 2z36A1 THR 249 HA 0.00 0.09 0.28 -0.75 4.39 4.02 2z36A1 THR 249 HB 0.06 -0.00 -0.10 -0.04 4.32 4.24 2z36A1 THR 249 HG23 0.06 0.02 -0.02 -0.04 1.22 1.24 2z36A1 THR 250 H 0.01 0.22 -0.46 -0.55 8.28 7.50 2z36A1 THR 250 HA 0.01 -0.00 0.36 -0.75 4.39 4.00 2z36A1 THR 250 HB -0.01 0.16 0.17 -0.04 4.32 4.61 2z36A1 THR 250 HG23 -0.02 -0.03 -0.07 -0.04 1.22 1.07 2z36A1 ALA 251 H -0.12 0.64 -0.04 -0.55 8.40 8.33 2z36A1 ALA 251 HA -0.12 0.13 0.50 -0.75 4.34 4.09 2z36A1 ALA 251 HB3 -0.24 -0.02 0.05 -0.04 1.41 1.16 2z36A1 ASN 252 H -0.10 0.91 -0.06 -0.55 8.53 8.72 2z36A1 ASN 252 HA -0.13 -0.12 0.47 -0.75 4.76 4.23 2z36A1 ASN 252 HB2 -0.07 0.13 0.13 -0.04 2.88 3.03 2z36A1 ASN 252 HB3 -0.12 0.06 0.21 -0.04 2.79 2.90 2z36A1 ASN 252 HD21 -0.09 -0.08 -0.16 -0.04 7.03 6.66 2z36A1 ASN 252 HD22 -0.06 0.32 -0.32 -0.04 7.74 7.64 2z36A1 MET 253 H -0.05 0.52 -0.30 -0.55 8.47 8.09 2z36A1 MET 253 HA -0.06 -0.01 0.40 -0.75 4.52 4.09 2z36A1 MET 253 HB2 -0.00 0.16 0.21 -0.04 2.15 2.48 2z36A1 MET 253 HB3 0.04 -0.06 -0.07 -0.04 2.03 1.89 2z36A1 MET 253 HG2 -0.00 0.04 -0.02 -0.04 2.63 2.61 2z36A1 MET 253 HG3 0.01 -0.06 -0.06 -0.04 2.56 2.41 2z36A1 MET 253 HE3 0.06 0.01 -0.05 -0.04 2.10 2.08 2z36A1 ILE 254 H -0.06 0.60 -0.16 -0.55 8.25 8.08 2z36A1 ILE 254 HA -0.01 0.02 0.44 -0.75 4.18 3.88 2z36A1 ILE 254 HB -0.09 0.19 0.24 -0.04 1.89 2.19 2z36A1 ILE 254 HG12 -0.26 -0.07 -0.05 -0.04 1.49 1.07 2z36A1 ILE 254 HG13 -0.12 0.21 -0.01 -0.04 1.21 1.25 2z36A1 ILE 254 HG23 -0.09 -0.03 -0.17 -0.04 0.93 0.60 2z36A1 ILE 254 HD13 -0.12 0.00 -0.12 -0.04 0.88 0.60 2z36A1 SER 255 H -0.07 0.59 -0.00 -0.55 8.46 8.44 2z36A1 SER 255 HA -0.02 -0.03 0.34 -0.75 4.49 4.03 2z36A1 SER 255 HB2 -0.12 0.07 0.22 -0.04 3.95 4.08 2z36A1 SER 255 HB3 -0.09 -0.06 -0.01 -0.04 3.93 3.73 2z36A1 LEU 256 H -0.17 0.76 -0.01 -0.55 8.37 8.40 2z36A1 LEU 256 HA -0.22 -0.03 0.34 -0.75 4.35 3.68 2z36A1 LEU 256 HB2 -0.41 0.25 0.10 -0.04 1.64 1.54 2z36A1 LEU 256 HB3 -1.31 0.03 -0.11 -0.04 1.64 0.21 2z36A1 LEU 256 HG -0.97 0.04 -0.03 -0.04 1.64 0.65 2z36A1 LEU 256 HD13 -0.17 -0.03 -0.15 -0.04 0.93 0.54 2z36A1 LEU 256 HD23 -0.30 0.01 -0.17 -0.04 0.89 0.38 2z36A1 GLY 257 H 0.00 0.42 -0.58 -0.55 8.43 7.72 2z36A1 GLY 257 HA2 -0.02 -0.02 0.37 -0.51 4.01 3.83 2z36A1 GLY 257 HA3 0.25 0.10 0.29 -0.51 4.01 4.14 2z36A1 VAL 258 H 0.14 0.54 -0.15 -0.55 8.24 8.22 2z36A1 VAL 258 HA 0.26 0.05 0.44 -0.75 4.13 4.13 2z36A1 VAL 258 HB 0.10 0.11 0.19 -0.04 2.12 2.48 2z36A1 VAL 258 HG13 0.20 -0.01 -0.19 -0.04 0.97 0.93 2z36A1 VAL 258 HG23 0.09 0.03 0.00 -0.04 0.95 1.03 2z36A1 VAL 259 H 0.11 0.48 -0.00 -0.55 8.24 8.27 2z36A1 VAL 259 HA 0.21 -0.01 0.32 -0.75 4.13 3.89 2z36A1 VAL 259 HB 0.17 0.07 0.07 -0.04 2.12 2.39 2z36A1 VAL 259 HG13 0.50 -0.00 -0.14 -0.04 0.97 1.29 2z36A1 VAL 259 HG23 0.11 0.01 -0.01 -0.04 0.95 1.02 2z36A1 GLY 260 H 0.18 0.66 -0.35 -0.55 8.43 8.38 2z36A1 GLY 260 HA2 0.57 0.01 0.36 -0.51 4.01 4.45 2z36A1 GLY 260 HA3 0.40 0.08 0.26 -0.51 4.01 4.24 2z36A1 LEU 261 H 0.07 0.59 -0.11 -0.55 8.37 8.38 2z36A1 LEU 261 HA -0.05 -0.04 0.38 -0.75 4.35 3.89 2z36A1 LEU 261 HB2 -0.04 0.39 0.24 -0.04 1.64 2.19 2z36A1 LEU 261 HB3 -0.01 0.02 0.01 -0.04 1.64 1.62 2z36A1 LEU 261 HG -0.20 -0.08 -0.02 -0.04 1.64 1.31 2z36A1 LEU 261 HD13 -0.16 -0.01 -0.08 -0.04 0.93 0.64 2z36A1 LEU 261 HD23 -0.06 -0.00 -0.06 -0.04 0.89 0.73 2z36A1 LEU 262 H 0.14 0.80 -0.13 -0.55 8.37 8.64 2z36A1 LEU 262 HA 0.01 0.04 0.43 -0.75 4.35 4.08 2z36A1 LEU 262 HB2 0.17 0.23 0.04 -0.04 1.64 2.04 2z36A1 LEU 262 HB3 0.13 -0.05 -0.04 -0.04 1.64 1.65 2z36A1 LEU 262 HG 0.11 -0.07 0.05 -0.04 1.64 1.69 2z36A1 LEU 262 HD13 0.14 0.06 -0.01 -0.04 0.93 1.08 2z36A1 LEU 262 HD23 0.19 -0.03 -0.17 -0.04 0.89 0.83 2z36A1 SER 263 H 0.22 0.56 -0.21 -0.55 8.46 8.49 2z36A1 SER 263 HA -0.01 0.00 0.54 -0.75 4.49 4.27 2z36A1 SER 263 HB2 -0.24 -0.12 0.21 -0.04 3.95 3.76 2z36A1 SER 263 HB3 0.20 -0.05 0.14 -0.04 3.93 4.18 2z36A1 HIS 264 H 0.10 0.30 -1.03 -0.55 8.41 7.24 2z36A1 HIS 264 HA -0.08 0.08 0.71 -0.75 4.63 4.58 2z36A1 HIS 264 HB2 -0.09 0.12 0.16 -0.04 3.26 3.42 2z36A1 HIS 264 HB3 -0.10 -0.19 0.22 -0.04 3.20 3.08 2z36A1 HIS 264 HD2 -0.12 -0.07 0.13 -0.04 6.97 6.86 2z36A1 HIS 264 HE1 -0.20 -0.04 0.01 -0.04 7.75 7.47 2z36A1 PRO 265 HA -0.06 0.13 0.46 -0.51 4.44 4.47 2z36A1 PRO 265 HB2 -0.04 -0.08 0.12 -0.04 2.28 2.24 2z36A1 PRO 265 HB3 -0.04 0.05 0.09 -0.04 2.02 2.09 2z36A1 PRO 265 HG2 -0.04 -0.00 0.09 -0.04 2.03 2.04 2z36A1 PRO 265 HG3 -0.03 0.20 0.15 -0.04 2.03 2.31 2z36A1 PRO 265 HD2 -0.08 0.04 0.08 -0.04 3.68 3.68 2z36A1 PRO 265 HD3 -0.06 0.24 -0.20 -0.04 3.65 3.59 2z36A1 GLU 266 H -0.03 0.16 -0.12 -0.55 8.60 8.06 2z36A1 GLU 266 HA -0.03 0.05 0.39 -0.75 4.29 3.94 2z36A1 GLU 266 HB2 -0.02 0.03 0.06 -0.04 2.09 2.13 2z36A1 GLU 266 HB3 -0.02 0.00 0.05 -0.04 1.99 1.99 2z36A1 GLU 266 HG2 -0.03 0.00 0.06 -0.04 2.34 2.33 2z36A1 GLU 266 HG3 -0.03 0.01 0.07 -0.04 2.34 2.35 2z36A1 GLN 267 H -0.01 0.34 -0.24 -0.55 8.47 8.02 2z36A1 GLN 267 HA -0.04 -0.03 0.55 -0.75 4.36 4.08 2z36A1 GLN 267 HB2 -0.04 0.27 0.18 -0.04 2.15 2.51 2z36A1 GLN 267 HB3 -0.09 -0.11 0.07 -0.04 2.02 1.85 2z36A1 GLN 267 HG2 0.03 -0.06 0.12 -0.04 2.40 2.45 2z36A1 GLN 267 HG3 -0.09 0.15 0.10 -0.04 2.39 2.52 2z36A1 GLN 267 HE21 -0.02 -0.05 -0.02 -0.04 6.97 6.84 2z36A1 GLN 267 HE22 -0.01 -0.04 -0.02 -0.04 7.69 7.58 2z36A1 LEU 268 H -0.07 0.50 0.06 -0.55 8.37 8.31 2z36A1 LEU 268 HA -0.17 -0.02 0.42 -0.75 4.35 3.82 2z36A1 LEU 268 HB2 -0.19 0.28 0.05 -0.04 1.64 1.74 2z36A1 LEU 268 HB3 -0.15 0.02 0.13 -0.04 1.64 1.60 2z36A1 LEU 268 HG -0.37 -0.01 -0.15 -0.04 1.64 1.07 2z36A1 LEU 268 HD13 -0.88 -0.04 0.03 -0.04 0.93 0.00 2z36A1 LEU 268 HD23 -0.48 0.00 -0.12 -0.04 0.89 0.26 2z36A1 THR 269 H -0.07 0.59 -0.20 -0.55 8.28 8.05 2z36A1 THR 269 HA -0.07 0.08 0.43 -0.75 4.39 4.08 2z36A1 THR 269 HB -0.03 -0.05 0.01 -0.04 4.32 4.20 2z36A1 THR 269 HG23 -0.04 0.07 -0.01 -0.04 1.22 1.20 2z36A1 VAL 270 H -0.04 0.36 -0.17 -0.55 8.24 7.84 2z36A1 VAL 270 HA -0.02 -0.01 0.38 -0.75 4.13 3.72 2z36A1 VAL 270 HB -0.04 0.20 0.19 -0.04 2.12 2.43 2z36A1 VAL 270 HG13 -0.01 -0.02 -0.14 -0.04 0.97 0.75 2z36A1 VAL 270 HG23 -0.02 0.05 0.11 -0.04 0.95 1.04 2z36A1 VAL 271 H -0.05 0.44 -0.19 -0.55 8.24 7.89 2z36A1 VAL 271 HA 0.01 -0.00 0.23 -0.75 4.13 3.61 2z36A1 VAL 271 HB -0.05 0.13 0.03 -0.04 2.12 2.19 2z36A1 VAL 271 HG13 0.07 -0.02 -0.18 -0.04 0.97 0.80 2z36A1 VAL 271 HG23 -0.05 0.04 -0.04 -0.04 0.95 0.86 2z36A1 LYS 272 H -0.05 0.55 -0.22 -0.55 8.42 8.14 2z36A1 LYS 272 HA 0.04 0.02 0.36 -0.75 4.32 3.99 2z36A1 LYS 272 HB2 -0.11 0.09 0.12 -0.04 1.87 1.93 2z36A1 LYS 272 HB3 -0.04 -0.03 0.10 -0.04 1.79 1.78 2z36A1 LYS 272 HG2 0.01 -0.07 -0.04 -0.04 1.46 1.31 2z36A1 LYS 272 HG3 0.05 -0.01 0.03 -0.04 1.46 1.48 2z36A1 LYS 272 HD2 0.05 0.11 0.08 -0.04 1.69 1.89 2z36A1 LYS 272 HD3 -0.04 -0.04 0.03 -0.04 1.68 1.59 2z36A1 LYS 272 HE2 -0.13 -0.02 -0.05 -0.04 2.99 2.76 2z36A1 LYS 272 HE3 -0.03 -0.09 0.00 -0.04 2.99 2.83 2z36A1 ALA 273 H -0.01 0.59 -0.26 -0.55 8.40 8.17 2z36A1 ALA 273 HA 0.01 0.02 0.53 -0.75 4.34 4.15 2z36A1 ALA 273 HB3 -0.00 -0.04 0.08 -0.04 1.41 1.41 2z36A1 ASN 274 H 0.01 0.63 -0.02 -0.55 8.53 8.60 2z36A1 ASN 274 HA 0.02 0.21 0.94 -0.75 4.76 5.18 2z36A1 ASN 274 HB2 0.01 0.03 -0.03 -0.04 2.88 2.85 2z36A1 ASN 274 HB3 0.01 0.06 0.18 -0.04 2.79 3.00 2z36A1 ASN 274 HD21 0.01 -0.01 -0.06 -0.04 7.03 6.93 2z36A1 ASN 274 HD22 0.01 0.06 0.00 -0.04 7.74 7.77 2z36A1 PRO 275 HA 0.05 0.16 0.43 -0.51 4.44 4.57 2z36A1 PRO 275 HB2 0.04 -0.03 0.03 -0.04 2.28 2.28 2z36A1 PRO 275 HB3 0.05 0.12 0.10 -0.04 2.02 2.25 2z36A1 PRO 275 HG2 0.03 -0.06 0.02 -0.04 2.03 1.97 2z36A1 PRO 275 HG3 0.03 0.06 0.05 -0.04 2.03 2.12 2z36A1 PRO 275 HD2 0.02 0.08 0.23 -0.04 3.68 3.97 2z36A1 PRO 275 HD3 0.03 0.33 -0.04 -0.04 3.65 3.93 2z36A1 GLY 276 H 0.03 0.10 -0.55 -0.55 8.43 7.46 2z36A1 GLY 276 HA2 0.03 0.08 0.48 -0.51 4.01 4.09 2z36A1 GLY 276 HA3 0.02 0.01 0.27 -0.51 4.01 3.80 2z36A1 ARG 277 H 0.03 0.70 -0.17 -0.55 8.46 8.47 2z36A1 ARG 277 HA 0.02 0.07 0.57 -0.75 4.34 4.25 2z36A1 ARG 277 HB2 0.01 0.17 0.12 -0.04 1.90 2.16 2z36A1 ARG 277 HB3 0.01 -0.01 -0.12 -0.04 1.80 1.64 2z36A1 ARG 277 HG2 0.00 -0.01 -0.03 -0.04 1.67 1.59 2z36A1 ARG 277 HG3 0.01 -0.02 0.01 -0.04 1.67 1.64 2z36A1 ARG 277 HD2 0.01 -0.02 -0.01 -0.04 3.22 3.15 2z36A1 ARG 277 HD3 -0.00 0.02 -0.03 -0.04 3.22 3.17 2z36A1 THR 278 H 0.05 0.35 -0.42 -0.55 8.28 7.70 2z36A1 THR 278 HA 0.06 0.01 0.36 -0.75 4.39 4.06 2z36A1 THR 278 HB 0.08 0.23 0.18 -0.04 4.32 4.77 2z36A1 THR 278 HG23 0.18 -0.01 -0.12 -0.04 1.22 1.24 2z36A1 PRO 279 HA 0.10 0.03 0.41 -0.51 4.44 4.48 2z36A1 PRO 279 HB2 0.06 0.04 0.04 -0.04 2.28 2.38 2z36A1 PRO 279 HB3 0.07 -0.00 0.04 -0.04 2.02 2.09 2z36A1 PRO 279 HG2 0.05 0.06 0.06 -0.04 2.03 2.16 2z36A1 PRO 279 HG3 0.07 0.01 0.05 -0.04 2.03 2.12 2z36A1 PRO 279 HD2 0.05 0.34 -0.21 -0.04 3.68 3.82 2z36A1 PRO 279 HD3 0.07 0.22 0.11 -0.04 3.65 4.01 2z36A1 MET 280 H 0.05 0.25 -0.31 -0.55 8.47 7.91 2z36A1 MET 280 HA 0.06 0.00 0.43 -0.75 4.52 4.26 2z36A1 MET 280 HB2 0.03 -0.08 0.10 -0.04 2.15 2.15 2z36A1 MET 280 HB3 0.02 0.18 0.06 -0.04 2.03 2.26 2z36A1 MET 280 HG2 0.02 0.24 0.01 -0.04 2.63 2.86 2z36A1 MET 280 HG3 0.04 -0.13 0.07 -0.04 2.56 2.50 2z36A1 MET 280 HE3 0.02 -0.04 0.01 -0.04 2.10 2.06 2z36A1 ALA 281 H 0.04 0.34 -0.27 -0.55 8.40 7.97 2z36A1 ALA 281 HA -0.02 0.01 0.52 -0.75 4.34 4.10 2z36A1 ALA 281 HB3 -0.02 0.04 0.10 -0.04 1.41 1.49 2z36A1 VAL 282 H 0.10 0.61 -0.07 -0.55 8.24 8.32 2z36A1 VAL 282 HA 0.16 0.01 0.36 -0.75 4.13 3.91 2z36A1 VAL 282 HB 0.16 0.19 0.12 -0.04 2.12 2.54 2z36A1 VAL 282 HG13 0.21 -0.02 -0.08 -0.04 0.97 1.04 2z36A1 VAL 282 HG23 0.33 0.05 -0.09 -0.04 0.95 1.20 2z36A1 GLU 283 H 0.09 0.36 -0.44 -0.55 8.60 8.07 2z36A1 GLU 283 HA 0.14 -0.02 0.46 -0.75 4.29 4.11 2z36A1 GLU 283 HB2 0.09 0.29 0.14 -0.04 2.09 2.57 2z36A1 GLU 283 HB3 0.19 -0.02 -0.03 -0.04 1.99 2.09 2z36A1 GLU 283 HG2 0.14 0.16 0.03 -0.04 2.34 2.64 2z36A1 GLU 283 HG3 0.13 -0.02 -0.02 -0.04 2.34 2.39 2z36A1 GLU 284 H 0.01 0.46 -0.12 -0.55 8.60 8.40 2z36A1 GLU 284 HA -0.09 0.06 0.42 -0.75 4.29 3.93 2z36A1 GLU 284 HB2 -0.06 0.18 0.03 -0.04 2.09 2.20 2z36A1 GLU 284 HB3 -0.06 0.09 0.11 -0.04 1.99 2.09 2z36A1 GLU 284 HG2 -0.14 -0.18 -0.46 -0.04 2.34 1.51 2z36A1 GLU 284 HG3 -0.16 -0.01 -0.31 -0.04 2.34 1.82 2z36A1 LEU 285 H 0.01 0.60 -0.19 -0.55 8.37 8.25 2z36A1 LEU 285 HA 0.14 0.03 0.35 -0.75 4.35 4.11 2z36A1 LEU 285 HB2 0.09 0.09 0.07 -0.04 1.64 1.86 2z36A1 LEU 285 HB3 0.17 -0.04 -0.02 -0.04 1.64 1.70 2z36A1 LEU 285 HG -0.06 0.27 0.02 -0.04 1.64 1.83 2z36A1 LEU 285 HD13 -0.30 -0.03 -0.07 -0.04 0.93 0.49 2z36A1 LEU 285 HD23 -0.01 -0.01 -0.06 -0.04 0.89 0.76 2z36A1 LEU 286 H -0.01 0.41 -0.38 -0.55 8.37 7.85 2z36A1 LEU 286 HA -0.02 -0.03 0.41 -0.75 4.35 3.95 2z36A1 LEU 286 HB2 -0.33 0.17 0.14 -0.04 1.64 1.58 2z36A1 LEU 286 HB3 -0.49 -0.17 -0.02 -0.04 1.64 0.92 2z36A1 LEU 286 HG 0.01 0.39 0.10 -0.04 1.64 2.10 2z36A1 LEU 286 HD13 -0.07 -0.04 -0.08 -0.04 0.93 0.69 2z36A1 LEU 286 HD23 -0.15 -0.03 -0.06 -0.04 0.89 0.60 2z36A1 ARG 287 H -0.19 0.52 -0.18 -0.55 8.46 8.06 2z36A1 ARG 287 HA -0.19 -0.15 0.45 -0.75 4.34 3.69 2z36A1 ARG 287 HB2 -0.25 -0.06 0.13 -0.04 1.90 1.67 2z36A1 ARG 287 HB3 -0.23 0.13 0.21 -0.04 1.80 1.86 2z36A1 ARG 287 HG2 -0.37 0.13 -0.27 -0.04 1.67 1.12 2z36A1 ARG 287 HG3 -0.39 -0.19 0.09 -0.04 1.67 1.15 2z36A1 ARG 287 HD2 -1.74 0.04 0.02 -0.04 3.22 1.51 2z36A1 ARG 287 HD3 -0.91 -0.03 0.01 -0.04 3.22 2.25 2z36A1 TYR 288 H 0.03 0.67 -0.03 -0.55 8.29 8.41 2z36A1 TYR 288 HA -0.14 0.09 0.27 -0.75 4.56 4.03 2z36A1 TYR 288 HB2 -0.21 0.08 0.07 -0.04 3.06 2.95 2z36A1 TYR 288 HB3 -0.22 -0.02 0.07 -0.04 2.98 2.78 2z36A1 TYR 288 HD2 -1.17 0.03 -0.18 -0.04 7.15 5.79 2z36A1 TYR 288 HE2 -0.14 0.09 -0.12 -0.04 6.85 6.64 2z36A1 PHE 289 H 0.35 0.40 -0.22 -0.55 8.34 8.31 2z36A1 PHE 289 HA 0.10 0.19 0.68 -0.75 4.62 4.84 2z36A1 PHE 289 HB2 0.12 0.02 0.03 -0.04 3.15 3.28 2z36A1 PHE 289 HB3 0.18 -0.11 -0.08 -0.04 3.06 3.01 2z36A1 PHE 289 HD2 0.19 0.11 0.01 -0.04 7.28 7.54 2z36A1 PHE 289 HE2 -0.01 -0.04 -0.02 -0.04 7.38 7.28 2z36A1 PHE 289 HZ 0.20 -0.07 -0.02 -0.04 7.32 7.40 2z36A1 THR 290 H 0.15 0.48 -0.08 -0.55 8.28 8.29 2z36A1 THR 290 HA 0.03 0.01 0.40 -0.75 4.39 4.07 2z36A1 THR 290 HB 0.09 0.07 -0.07 -0.04 4.32 4.37 2z36A1 THR 290 HG23 0.06 -0.11 -0.20 -0.04 1.22 0.92 2z36A1 ILE 291 H 0.11 0.14 -0.15 -0.55 8.25 7.80 2z36A1 ILE 291 HA 0.18 0.14 0.34 -0.75 4.18 4.09 2z36A1 ILE 291 HB 0.10 0.11 0.11 -0.04 1.89 2.16 2z36A1 ILE 291 HG12 0.04 -0.06 -0.01 -0.04 1.49 1.42 2z36A1 ILE 291 HG13 0.05 -0.02 -0.26 -0.04 1.21 0.94 2z36A1 ILE 291 HG23 0.14 -0.01 -0.18 -0.04 0.93 0.84 2z36A1 ILE 291 HD13 0.00 -0.01 -0.05 -0.04 0.88 0.78 2z36A1 ALA 292 H 0.06 0.11 -0.57 -0.55 8.40 7.45 2z36A1 ALA 292 HA 0.08 0.22 0.88 -0.75 4.34 4.76 2z36A1 ALA 292 HB3 0.07 0.02 0.04 -0.04 1.41 1.49 2z36A1 ASP 293 H 0.07 0.53 0.00 -0.55 8.40 8.47 2z36A1 ASP 293 HA 0.04 -0.21 0.48 -0.75 4.63 4.19 2z36A1 ASP 293 HB2 0.09 0.23 0.19 -0.04 2.71 3.19 2z36A1 ASP 293 HB3 0.14 0.02 0.11 -0.04 2.70 2.92 2z36A1 GLY 294 H 0.18 0.20 0.04 -0.55 8.43 8.30 2z36A1 GLY 294 HA2 -0.05 0.30 0.89 -0.51 4.01 4.64 2z36A1 GLY 294 HA3 0.36 -0.03 0.33 -0.51 4.01 4.16 2z36A1 VAL 295 H 0.09 0.73 0.02 -0.55 8.24 8.53 2z36A1 VAL 295 HA 0.14 0.01 0.48 -0.75 4.13 4.01 2z36A1 VAL 295 HB 0.08 -0.03 0.13 -0.04 2.12 2.26 2z36A1 VAL 295 HG13 0.08 0.01 0.03 -0.04 0.97 1.05 2z36A1 VAL 295 HG23 0.07 0.08 -0.05 -0.04 0.95 1.01 2z36A1 THR 296 H 0.01 0.13 -0.38 -0.55 8.28 7.50 2z36A1 THR 296 HA 0.03 0.20 0.67 -0.75 4.39 4.53 2z36A1 THR 296 HB -0.05 -0.02 0.15 -0.04 4.32 4.36 2z36A1 THR 296 HG23 0.03 -0.01 -0.03 -0.04 1.22 1.16 2z36A1 SER 297 H 0.09 0.40 -0.07 -0.55 8.46 8.33 2z36A1 SER 297 HA -0.12 0.04 0.80 -0.75 4.49 4.46 2z36A1 SER 297 HB2 0.09 0.04 0.05 -0.04 3.95 4.09 2z36A1 SER 297 HB3 -0.10 -0.05 0.07 -0.04 3.93 3.80 2z36A1 ARG 298 H -0.18 0.86 0.49 -0.55 8.46 9.08 2z36A1 ARG 298 HA -0.04 0.30 0.88 -0.75 4.34 4.73 2z36A1 ARG 298 HB2 -0.05 -0.12 -0.05 -0.04 1.90 1.64 2z36A1 ARG 298 HB3 0.14 -0.07 -0.17 -0.04 1.80 1.65 2z36A1 ARG 298 HG2 -0.02 -0.05 -0.74 -0.04 1.67 0.82 2z36A1 ARG 298 HG3 -0.01 -0.08 -0.24 -0.04 1.67 1.30 2z36A1 ARG 298 HD2 0.15 0.35 -0.30 -0.04 3.22 3.38 2z36A1 ARG 298 HD3 0.12 0.10 -0.10 -0.04 3.22 3.30 2z36A1 LEU 299 H 0.08 0.67 0.09 -0.55 8.37 8.65 2z36A1 LEU 299 HA -0.03 0.18 0.92 -0.75 4.35 4.68 2z36A1 LEU 299 HB2 -0.10 -0.00 -0.21 -0.04 1.64 1.29 2z36A1 LEU 299 HB3 0.15 -0.08 0.01 -0.04 1.64 1.67 2z36A1 LEU 299 HG 0.13 0.02 -0.34 -0.04 1.64 1.41 2z36A1 LEU 299 HD13 0.08 -0.02 -0.45 -0.04 0.93 0.49 2z36A1 LEU 299 HD23 0.03 0.08 -0.42 -0.04 0.89 0.54 2z36A1 ALA 300 H 0.15 0.55 0.16 -0.55 8.40 8.72 2z36A1 ALA 300 HA -0.03 0.09 0.56 -0.75 4.34 4.21 2z36A1 ALA 300 HB3 0.13 0.03 0.04 -0.04 1.41 1.57 2z36A1 THR 301 H -0.10 0.62 0.45 -0.55 8.28 8.70 2z36A1 THR 301 HA 0.00 0.14 0.86 -0.75 4.39 4.64 2z36A1 THR 301 HB -0.01 -0.05 0.20 -0.04 4.32 4.42 2z36A1 THR 301 HG23 0.03 0.03 0.05 -0.04 1.22 1.29 2z36A1 GLU 302 H -0.12 0.22 -0.02 -0.55 8.60 8.13 2z36A1 GLU 302 HA -0.04 0.15 0.73 -0.75 4.29 4.37 2z36A1 GLU 302 HB2 -0.14 -0.03 -0.08 -0.04 2.09 1.80 2z36A1 GLU 302 HB3 -0.07 0.03 0.11 -0.04 1.99 2.02 2z36A1 GLU 302 HG2 -0.04 0.05 0.03 -0.04 2.34 2.33 2z36A1 GLU 302 HG3 -0.06 -0.03 -0.44 -0.04 2.34 1.76 2z36A1 ASP 303 H -0.04 0.13 0.16 -0.55 8.40 8.10 2z36A1 ASP 303 HA -0.02 0.26 0.77 -0.75 4.63 4.89 2z36A1 ASP 303 HB2 -0.02 -0.03 0.16 -0.04 2.71 2.77 2z36A1 ASP 303 HB3 -0.02 0.04 -0.03 -0.04 2.70 2.65 2z36A1 VAL 304 H -0.06 0.86 0.31 -0.55 8.24 8.81 2z36A1 VAL 304 HA -0.07 0.12 0.86 -0.75 4.13 4.29 2z36A1 VAL 304 HB -0.06 -0.00 -0.03 -0.04 2.12 1.98 2z36A1 VAL 304 HG13 -0.01 -0.01 -0.25 -0.04 0.97 0.66 2z36A1 VAL 304 HG23 -0.33 0.02 -0.42 -0.04 0.95 0.19 2z36A1 GLU 305 H -0.05 0.19 0.11 -0.55 8.60 8.31 2z36A1 GLU 305 HA -0.09 0.26 0.85 -0.75 4.29 4.56 2z36A1 GLU 305 HB2 -0.04 -0.01 0.14 -0.04 2.09 2.14 2z36A1 GLU 305 HB3 -0.05 -0.00 -0.04 -0.04 1.99 1.86 2z36A1 GLU 305 HG2 -0.04 -0.02 -0.07 -0.04 2.34 2.16 2z36A1 GLU 305 HG3 -0.03 0.02 -0.05 -0.04 2.34 2.24 2z36A1 ILE 306 H -0.13 0.82 0.31 -0.55 8.25 8.70 2z36A1 ILE 306 HA -0.05 0.07 0.67 -0.75 4.18 4.12 2z36A1 ILE 306 HB 0.02 0.06 -0.38 -0.04 1.89 1.54 2z36A1 ILE 306 HG12 -0.08 -0.03 -0.10 -0.04 1.49 1.23 2z36A1 ILE 306 HG13 -0.03 -0.01 0.08 -0.04 1.21 1.20 2z36A1 ILE 306 HG23 -0.11 0.03 -0.18 -0.04 0.93 0.63 2z36A1 ILE 306 HD13 -0.01 0.01 -0.12 -0.04 0.88 0.72 2z36A1 GLY 307 H -0.07 0.18 0.12 -0.55 8.43 8.12 2z36A1 GLY 307 HA2 -0.06 0.03 0.33 -0.51 4.01 3.80 2z36A1 GLY 307 HA3 -0.09 0.07 0.37 -0.51 4.01 3.85 2z36A1 GLY 308 H -0.06 -0.02 -0.45 -0.55 8.43 7.36 2z36A1 GLY 308 HA2 -0.05 -0.02 0.19 -0.51 4.01 3.62 2z36A1 GLY 308 HA3 -0.04 0.12 0.42 -0.51 4.01 4.00 2z36A1 VAL 309 H -0.14 0.41 -0.28 -0.55 8.24 7.68 2z36A1 VAL 309 HA -0.12 0.18 0.86 -0.75 4.13 4.29 2z36A1 VAL 309 HB -0.43 0.03 -0.04 -0.04 2.12 1.65 2z36A1 VAL 309 HG13 -0.73 -0.01 -0.19 -0.04 0.97 0.00 2z36A1 VAL 309 HG23 -0.08 0.07 -0.22 -0.04 0.95 0.68 2z36A1 SER 310 H -0.12 0.20 0.07 -0.55 8.46 8.06 2z36A1 SER 310 HA -0.13 0.19 0.89 -0.75 4.49 4.69 2z36A1 SER 310 HB2 -0.02 0.01 -0.07 -0.04 3.95 3.83 2z36A1 SER 310 HB3 -0.04 -0.02 -0.03 -0.04 3.93 3.79 2z36A1 ILE 311 H -0.21 0.76 0.31 -0.55 8.25 8.56 2z36A1 ILE 311 HA -0.09 0.08 0.67 -0.75 4.18 4.08 2z36A1 ILE 311 HB -0.09 -0.03 0.15 -0.04 1.89 1.88 2z36A1 ILE 311 HG12 -2.09 0.00 -0.12 -0.04 1.49 -0.76 2z36A1 ILE 311 HG13 -0.72 0.03 -0.13 -0.04 1.21 0.34 2z36A1 ILE 311 HG23 0.21 0.03 -0.16 -0.04 0.93 0.96 2z36A1 ILE 311 HD13 -0.29 -0.01 -0.12 -0.04 0.88 0.42 2z36A1 LYS 312 H 0.25 0.16 0.16 -0.55 8.42 8.44 2z36A1 LYS 312 HA 0.05 -0.01 0.61 -0.75 4.32 4.21 2z36A1 LYS 312 HB2 0.13 0.05 0.01 -0.04 1.87 2.02 2z36A1 LYS 312 HB3 0.07 0.00 0.04 -0.04 1.79 1.86 2z36A1 LYS 312 HG2 0.17 0.04 0.06 -0.04 1.46 1.70 2z36A1 LYS 312 HG3 0.10 0.02 0.01 -0.04 1.46 1.54 2z36A1 LYS 312 HD2 0.05 -0.01 -0.04 -0.04 1.69 1.64 2z36A1 LYS 312 HD3 0.05 -0.05 -0.26 -0.04 1.68 1.38 2z36A1 LYS 312 HE2 0.08 0.12 -0.03 -0.04 2.99 3.12 2z36A1 LYS 312 HE3 0.07 -0.00 -0.02 -0.04 2.99 2.99 2z36A1 ALA 313 H 0.02 -0.01 -0.10 -0.55 8.40 7.77 2z36A1 ALA 313 HA 0.02 0.13 0.07 -0.75 4.34 3.81 2z36A1 ALA 313 HB3 0.00 -0.05 -0.25 -0.04 1.41 1.08 2z36A1 GLY 314 H 0.04 0.88 0.27 -0.55 8.43 9.07 2z36A1 GLY 314 HA2 0.05 0.04 0.33 -0.51 4.01 3.92 2z36A1 GLY 314 HA3 0.04 0.04 0.57 -0.51 4.01 4.15 2z36A1 GLU 315 H 0.11 0.24 -0.23 -0.55 8.60 8.18 2z36A1 GLU 315 HA 0.06 0.15 0.78 -0.75 4.29 4.52 2z36A1 GLU 315 HB2 0.32 0.03 0.06 -0.04 2.09 2.46 2z36A1 GLU 315 HB3 0.19 -0.03 0.07 -0.04 1.99 2.18 2z36A1 GLU 315 HG2 0.08 0.00 -0.07 -0.04 2.34 2.31 2z36A1 GLU 315 HG3 0.14 0.16 -0.21 -0.04 2.34 2.39 2z36A1 GLY 316 H 0.01 0.16 0.28 -0.55 8.43 8.33 2z36A1 GLY 316 HA2 -0.03 0.22 0.80 -0.51 4.01 4.48 2z36A1 GLY 316 HA3 -0.05 0.02 0.44 -0.51 4.01 3.91 2z36A1 VAL 317 H -0.05 0.90 0.39 -0.55 8.24 8.93 2z36A1 VAL 317 HA 0.11 0.10 1.00 -0.75 4.13 4.59 2z36A1 VAL 317 HB -0.08 -0.01 -0.01 -0.04 2.12 1.98 2z36A1 VAL 317 HG13 -0.38 -0.02 -0.21 -0.04 0.97 0.32 2z36A1 VAL 317 HG23 0.27 0.00 -0.24 -0.04 0.95 0.94 2z36A1 ILE 318 H -0.09 0.88 0.29 -0.55 8.25 8.78 2z36A1 ILE 318 HA -0.25 0.23 1.17 -0.75 4.18 4.57 2z36A1 ILE 318 HB -0.22 0.02 0.11 -0.04 1.89 1.77 2z36A1 ILE 318 HG12 -0.21 0.04 -0.10 -0.04 1.49 1.17 2z36A1 ILE 318 HG13 -0.15 -0.07 -0.37 -0.04 1.21 0.58 2z36A1 ILE 318 HG23 -0.76 0.00 -0.24 -0.04 0.93 -0.12 2z36A1 ILE 318 HD13 -0.58 -0.01 -0.16 -0.04 0.88 0.08 2z36A1 VAL 319 H -0.29 0.68 0.22 -0.55 8.24 8.31 2z36A1 VAL 319 HA -0.45 0.01 0.77 -0.75 4.13 3.70 2z36A1 VAL 319 HB -0.20 0.13 0.21 -0.04 2.12 2.22 2z36A1 VAL 319 HG13 -0.21 -0.02 -0.19 -0.04 0.97 0.50 2z36A1 VAL 319 HG23 -0.26 -0.01 -0.06 -0.04 0.95 0.58 2z36A1 SER 320 H -0.68 0.56 0.23 -0.55 8.46 8.03 2z36A1 SER 320 HA -0.49 0.20 0.72 -0.75 4.49 4.17 2z36A1 SER 320 HB2 -1.79 0.04 -0.01 -0.04 3.95 2.15 2z36A1 SER 320 HB3 -0.67 0.18 0.25 -0.04 3.93 3.65 2z36A1 MET 321 H -0.14 0.74 0.22 -0.55 8.47 8.75 2z36A1 MET 321 HA -0.06 0.02 0.34 -0.75 4.52 4.06 2z36A1 MET 321 HB2 0.01 0.01 0.07 -0.04 2.15 2.20 2z36A1 MET 321 HB3 0.04 -0.05 -0.15 -0.04 2.03 1.82 2z36A1 MET 321 HG2 -0.03 -0.07 -0.04 -0.04 2.63 2.45 2z36A1 MET 321 HG3 -0.06 0.15 0.05 -0.04 2.56 2.66 2z36A1 MET 321 HE3 0.04 -0.03 -0.19 -0.04 2.10 1.87 2z36A1 LEU 322 H 0.00 0.09 -0.06 -0.55 8.37 7.86 2z36A1 LEU 322 HA 0.12 0.18 0.36 -0.75 4.35 4.27 2z36A1 LEU 322 HB2 0.04 0.12 0.17 -0.04 1.64 1.92 2z36A1 LEU 322 HB3 0.09 -0.12 0.05 -0.04 1.64 1.62 2z36A1 LEU 322 HG -0.22 -0.05 -0.20 -0.04 1.64 1.12 2z36A1 LEU 322 HD13 -0.21 0.07 -0.09 -0.04 0.93 0.66 2z36A1 LEU 322 HD23 -0.14 -0.01 0.02 -0.04 0.89 0.72 2z36A1 SER 323 H -0.05 0.06 -0.41 -0.55 8.46 7.52 2z36A1 SER 323 HA 0.12 0.06 0.38 -0.75 4.49 4.30 2z36A1 SER 323 HB2 -0.16 0.18 0.20 -0.04 3.95 4.13 2z36A1 SER 323 HB3 0.01 0.06 0.08 -0.04 3.93 4.04 2z36A1 ALA 324 H -0.01 0.41 -0.13 -0.55 8.40 8.13 2z36A1 ALA 324 HA 0.09 0.02 0.39 -0.75 4.34 4.08 2z36A1 ALA 324 HB3 -0.13 -0.00 -0.00 -0.04 1.41 1.24 2z36A1 ASN 325 H 0.23 0.61 -0.17 -0.55 8.53 8.65 2z36A1 ASN 325 HA 0.65 0.03 0.54 -0.75 4.76 5.23 2z36A1 ASN 325 HB2 0.28 0.14 0.10 -0.04 2.88 3.36 2z36A1 ASN 325 HB3 0.10 0.07 0.12 -0.04 2.79 3.04 2z36A1 ASN 325 HD21 0.11 -0.37 -0.05 -0.04 7.03 6.68 2z36A1 ASN 325 HD22 0.07 0.23 -0.01 -0.04 7.74 7.99 2z36A1 TRP 326 H 0.43 0.24 -0.67 -0.55 7.97 7.42 2z36A1 TRP 326 HA 0.11 0.21 0.79 -0.75 4.62 4.98 2z36A1 TRP 326 HB2 0.05 0.07 0.05 -0.04 3.23 3.37 2z36A1 TRP 326 HB3 0.03 -0.14 0.11 -0.04 3.23 3.20 2z36A1 TRP 326 HD1 -0.04 -0.06 -0.33 -0.04 7.22 6.75 2z36A1 TRP 326 HE1 -0.29 0.41 0.02 -0.04 10.20 10.30 2z36A1 TRP 326 HE3 -0.03 -0.13 -0.07 -0.04 7.59 7.32 2z36A1 TRP 326 HZ2 -1.20 0.08 -0.11 -0.04 7.44 6.17 2z36A1 TRP 326 HZ3 -0.07 -0.10 0.03 -0.04 7.13 6.95 2z36A1 TRP 326 HH2 -0.35 0.21 -0.20 -0.04 7.19 6.81 2z36A1 ASP 327 H 0.33 0.26 -0.33 -0.55 8.40 8.12 2z36A1 ASP 327 HA 0.14 0.10 0.54 -0.75 4.63 4.66 2z36A1 ASP 327 HB2 0.15 0.17 0.30 -0.04 2.71 3.28 2z36A1 ASP 327 HB3 0.11 0.13 0.27 -0.04 2.70 3.17 2z36A1 PRO 328 HA 0.05 0.32 0.39 -0.51 4.44 4.69 2z36A1 PRO 328 HB2 0.03 -0.03 0.03 -0.04 2.28 2.27 2z36A1 PRO 328 HB3 0.06 0.05 0.17 -0.04 2.02 2.27 2z36A1 PRO 328 HG2 0.04 -0.05 0.06 -0.04 2.03 2.04 2z36A1 PRO 328 HG3 0.06 0.05 0.09 -0.04 2.03 2.20 2z36A1 PRO 328 HD2 0.09 0.01 0.28 -0.04 3.68 4.03 2z36A1 PRO 328 HD3 0.13 0.36 0.36 -0.04 3.65 4.46 2z36A1 ALA 329 H -0.01 0.08 -0.36 -0.55 8.40 7.57 2z36A1 ALA 329 HA -0.04 0.10 0.34 -0.75 4.34 3.99 2z36A1 ALA 329 HB3 -0.04 -0.01 0.06 -0.04 1.41 1.37 2z36A1 VAL 330 H -0.17 0.24 -0.60 -0.55 8.24 7.17 2z36A1 VAL 330 HA -0.29 0.14 0.84 -0.75 4.13 4.07 2z36A1 VAL 330 HB -0.83 -0.01 -0.00 -0.04 2.12 1.24 2z36A1 VAL 330 HG13 -0.44 -0.05 -0.23 -0.04 0.97 0.21 2z36A1 VAL 330 HG23 -1.36 0.09 -0.09 -0.04 0.95 -0.46 2z36A1 PHE 331 H -0.12 0.34 0.01 -0.55 8.34 8.01 2z36A1 PHE 331 HA -0.06 0.11 0.92 -0.75 4.62 4.84 2z36A1 PHE 331 HB2 -0.09 0.02 -0.04 -0.04 3.15 2.99 2z36A1 PHE 331 HB3 -0.11 0.08 -0.08 -0.04 3.06 2.90 2z36A1 PHE 331 HD2 -0.02 -0.01 -0.15 -0.04 7.28 7.06 2z36A1 PHE 331 HE2 0.13 0.01 -0.08 -0.04 7.38 7.40 2z36A1 PHE 331 HZ 0.20 -0.02 -0.30 -0.04 7.32 7.16 2z36A1 LYS 332 H 0.06 0.12 -0.02 -0.55 8.42 8.02 2z36A1 LYS 332 HA 0.01 0.02 0.37 -0.75 4.32 3.97 2z36A1 LYS 332 HB2 0.01 0.01 0.08 -0.04 1.87 1.93 2z36A1 LYS 332 HB3 0.01 -0.01 0.08 -0.04 1.79 1.84 2z36A1 LYS 332 HG2 0.00 0.01 -0.10 -0.04 1.46 1.33 2z36A1 LYS 332 HG3 0.00 -0.01 0.01 -0.04 1.46 1.42 2z36A1 LYS 332 HD2 0.00 -0.01 -0.02 -0.04 1.69 1.62 2z36A1 LYS 332 HD3 -0.00 0.02 -0.09 -0.04 1.68 1.57 2z36A1 LYS 332 HE2 -0.00 -0.01 -0.03 -0.04 2.99 2.91 2z36A1 LYS 332 HE3 -0.00 -0.01 -0.03 -0.04 2.99 2.92 2z36A1 ASP 333 H 0.01 0.06 0.21 -0.55 8.40 8.13 2z36A1 ASP 333 HA 0.00 -0.03 0.41 -0.75 4.63 4.26 2z36A1 ASP 333 HB2 -0.03 0.14 0.19 -0.04 2.71 2.98 2z36A1 ASP 333 HB3 -0.01 -0.05 0.14 -0.04 2.70 2.74 2z36A1 PRO 334 HA -0.29 0.13 0.32 -0.51 4.44 4.09 2z36A1 PRO 334 HB2 -0.31 0.02 0.03 -0.04 2.28 1.98 2z36A1 PRO 334 HB3 0.00 0.04 -0.13 -0.04 2.02 1.88 2z36A1 PRO 334 HG2 0.08 -0.07 0.06 -0.04 2.03 2.06 2z36A1 PRO 334 HG3 0.11 0.14 0.04 -0.04 2.03 2.28 2z36A1 PRO 334 HD2 0.02 -0.09 0.24 -0.04 3.68 3.81 2z36A1 PRO 334 HD3 0.03 0.35 0.17 -0.04 3.65 4.16 2z36A1 ALA 335 H -0.10 -0.04 -0.39 -0.55 8.40 7.32 2z36A1 ALA 335 HA -0.57 0.18 0.45 -0.75 4.34 3.64 2z36A1 ALA 335 HB3 0.18 -0.02 0.07 -0.04 1.41 1.60 2z36A1 VAL 336 H -0.12 0.43 -0.31 -0.55 8.24 7.69 2z36A1 VAL 336 HA 0.08 0.14 0.92 -0.75 4.13 4.52 2z36A1 VAL 336 HB 0.01 -0.07 -0.01 -0.04 2.12 2.00 2z36A1 VAL 336 HG13 -0.05 0.05 0.10 -0.04 0.97 1.03 2z36A1 VAL 336 HG23 -0.01 -0.03 -0.27 -0.04 0.95 0.60 2z36A1 LEU 337 H -0.04 0.16 0.13 -0.55 8.37 8.07 2z36A1 LEU 337 HA -0.37 0.11 0.44 -0.75 4.35 3.79 2z36A1 LEU 337 HB2 -1.11 0.09 0.11 -0.04 1.64 0.69 2z36A1 LEU 337 HB3 -0.58 -0.06 0.24 -0.04 1.64 1.20 2z36A1 LEU 337 HG -1.07 0.11 -0.05 -0.04 1.64 0.58 2z36A1 LEU 337 HD13 -0.29 -0.03 -0.19 -0.04 0.93 0.38 2z36A1 LEU 337 HD23 -0.94 0.01 -0.11 -0.04 0.89 -0.19 2z36A1 ASP 338 H -0.15 0.36 0.14 -0.55 8.40 8.20 2z36A1 ASP 338 HA -0.08 0.14 1.01 -0.75 4.63 4.94 2z36A1 ASP 338 HB2 -0.06 0.06 -0.14 -0.04 2.71 2.53 2z36A1 ASP 338 HB3 -0.07 0.13 0.17 -0.04 2.70 2.89 2z36A1 VAL 339 H -0.09 0.22 0.01 -0.55 8.24 7.83 2z36A1 VAL 339 HA -0.06 0.09 0.31 -0.75 4.13 3.72 2z36A1 VAL 339 HB -0.05 -0.04 0.08 -0.04 2.12 2.07 2z36A1 VAL 339 HG13 -0.02 -0.01 -0.14 -0.04 0.97 0.75 2z36A1 VAL 339 HG23 -0.09 0.02 0.02 -0.04 0.95 0.86 2z36A1 GLU 340 H -0.04 -0.06 -0.49 -0.55 8.60 7.46 2z36A1 GLU 340 HA -0.01 0.10 0.41 -0.75 4.29 4.03 2z36A1 GLU 340 HB2 -0.02 -0.05 0.03 -0.04 2.09 2.01 2z36A1 GLU 340 HB3 -0.02 -0.01 -0.06 -0.04 1.99 1.86 2z36A1 GLU 340 HG2 -0.01 -0.03 -0.04 -0.04 2.34 2.22 2z36A1 GLU 340 HG3 -0.01 0.03 0.01 -0.04 2.34 2.33 2z36A1 ARG 341 H -0.03 0.16 -0.08 -0.55 8.46 7.96 2z36A1 ARG 341 HA -0.00 -0.08 0.36 -0.75 4.34 3.86 2z36A1 ARG 341 HB2 0.01 -0.09 0.13 -0.04 1.90 1.90 2z36A1 ARG 341 HB3 -0.03 0.00 0.17 -0.04 1.80 1.91 2z36A1 ARG 341 HG2 -0.04 0.14 0.05 -0.04 1.67 1.77 2z36A1 ARG 341 HG3 -0.02 -0.10 -0.09 -0.04 1.67 1.42 2z36A1 ARG 341 HD2 -0.09 -0.02 0.16 -0.04 3.22 3.23 2z36A1 ARG 341 HD3 -0.15 -0.01 0.04 -0.04 3.22 3.06 2z36A1 GLY 342 H 0.01 0.06 0.17 -0.55 8.43 8.13 2z36A1 GLY 342 HA2 0.02 0.25 0.72 -0.51 4.01 4.49 2z36A1 GLY 342 HA3 0.02 -0.04 0.37 -0.51 4.01 3.84 2z36A1 ALA 343 H 0.05 0.03 -0.38 -0.55 8.40 7.55 2z36A1 ALA 343 HA 0.10 -0.06 0.36 -0.75 4.34 3.99 2z36A1 ALA 343 HB3 0.29 0.03 0.08 -0.04 1.41 1.76 2z36A1 ARG 344 H 0.03 0.04 0.24 -0.55 8.46 8.22 2z36A1 ARG 344 HA 0.10 0.10 0.47 -0.75 4.34 4.26 2z36A1 ARG 344 HB2 -0.15 0.00 0.16 -0.04 1.90 1.87 2z36A1 ARG 344 HB3 0.02 -0.04 0.19 -0.04 1.80 1.93 2z36A1 ARG 344 HG2 -0.03 -0.05 0.09 -0.04 1.67 1.64 2z36A1 ARG 344 HG3 0.00 0.34 0.18 -0.04 1.67 2.15 2z36A1 ARG 344 HD2 -0.06 0.04 0.08 -0.04 3.22 3.24 2z36A1 ARG 344 HD3 -0.17 -0.04 0.07 -0.04 3.22 3.04 2z36A1 HIS 345 H 0.18 0.09 0.11 -0.55 8.41 8.25 2z36A1 HIS 345 HA 0.15 0.02 0.31 -0.75 4.63 4.36 2z36A1 HIS 345 HB2 0.06 0.12 -0.39 -0.04 3.26 3.01 2z36A1 HIS 345 HB3 0.18 -0.01 0.13 -0.04 3.20 3.46 2z36A1 HIS 345 HD2 0.12 0.01 0.06 -0.04 6.97 7.12 2z36A1 HIS 345 HE1 0.02 -0.01 -0.02 -0.04 7.75 7.69 2z36A1 HIS 346 H 0.20 0.02 -0.39 -0.55 8.41 7.69 2z36A1 HIS 346 HA 0.52 0.16 0.50 -0.75 4.63 5.06 2z36A1 HIS 346 HB2 0.06 -0.01 0.11 -0.04 3.26 3.38 2z36A1 HIS 346 HB3 0.09 0.20 0.03 -0.04 3.20 3.47 2z36A1 HIS 346 HD2 0.06 0.12 -0.02 -0.04 6.97 7.09 2z36A1 HIS 346 HE1 -0.05 -0.08 -0.16 -0.04 7.75 7.42 2z36A1 LEU 347 H 0.34 0.19 0.09 -0.55 8.37 8.44 2z36A1 LEU 347 HA 0.26 0.36 0.92 -0.75 4.35 5.14 2z36A1 LEU 347 HB2 0.05 0.03 0.01 -0.04 1.64 1.70 2z36A1 LEU 347 HB3 0.06 -0.06 0.05 -0.04 1.64 1.65 2z36A1 LEU 347 HG -0.09 0.11 -0.26 -0.04 1.64 1.36 2z36A1 LEU 347 HD13 -0.37 -0.01 -0.13 -0.04 0.93 0.38 2z36A1 LEU 347 HD23 -0.00 0.03 -0.27 -0.04 0.89 0.61 2z36A1 ALA 348 H 0.36 0.17 -0.14 -0.55 8.40 8.24 2z36A1 ALA 348 HA 0.02 0.03 0.32 -0.75 4.34 3.95 2z36A1 ALA 348 HB3 -0.34 0.05 -0.04 -0.04 1.41 1.05 2z36A1 PHE 349 H 0.37 0.11 -0.52 -0.55 8.34 7.74 2z36A1 PHE 349 HA 0.11 0.15 0.73 -0.75 4.62 4.86 2z36A1 PHE 349 HB2 0.16 0.07 -0.04 -0.04 3.15 3.30 2z36A1 PHE 349 HB3 0.08 -0.06 0.09 -0.04 3.06 3.13 2z36A1 PHE 349 HD2 0.13 0.04 -0.03 -0.04 7.28 7.38 2z36A1 PHE 349 HE2 0.10 0.02 -0.06 -0.04 7.38 7.40 2z36A1 PHE 349 HZ 0.08 -0.01 -0.02 -0.04 7.32 7.33 2z36A1 GLY 350 H 0.21 0.56 -0.35 -0.55 8.43 8.30 2z36A1 GLY 350 HA2 0.13 0.06 0.27 -0.51 4.01 3.97 2z36A1 GLY 350 HA3 0.15 0.12 0.55 -0.51 4.01 4.32 2z36A1 PHE 351 H 0.18 0.35 0.12 -0.55 8.34 8.44 2z36A1 PHE 351 HA 0.03 0.09 0.57 -0.75 4.62 4.56 2z36A1 PHE 351 HB2 -0.01 0.07 -0.33 -0.04 3.15 2.84 2z36A1 PHE 351 HB3 -0.03 0.00 -0.12 -0.04 3.06 2.87 2z36A1 PHE 351 HD2 -0.02 0.08 -0.23 -0.04 7.28 7.07 2z36A1 PHE 351 HE2 -0.05 -0.01 -0.05 -0.04 7.38 7.23 2z36A1 PHE 351 HZ -0.05 -0.02 -0.04 -0.04 7.32 7.17 2z36A1 GLY 352 H -0.81 0.09 0.07 -0.55 8.43 7.24 2z36A1 GLY 352 HA2 -0.21 0.00 0.32 -0.51 4.01 3.61 2z36A1 GLY 352 HA3 0.03 0.46 0.70 -0.51 4.01 4.69 2z36A1 PRO 353 HA -0.03 0.03 0.37 -0.51 4.44 4.30 2z36A1 PRO 353 HB2 -0.29 0.08 0.03 -0.04 2.28 2.06 2z36A1 PRO 353 HB3 0.01 -0.04 0.07 -0.04 2.02 2.02 2z36A1 PRO 353 HG2 -0.00 0.02 0.08 -0.04 2.03 2.09 2z36A1 PRO 353 HG3 -0.01 -0.02 0.12 -0.04 2.03 2.08 2z36A1 PRO 353 HD2 0.03 0.33 0.26 -0.04 3.68 4.26 2z36A1 PRO 353 HD3 0.01 0.10 0.32 -0.04 3.65 4.03 2z36A1 HIS 354 H 0.02 0.18 -0.32 -0.55 8.41 7.75 2z36A1 HIS 354 HA 0.08 0.18 0.67 -0.75 4.63 4.80 2z36A1 HIS 354 HB2 -0.00 0.04 -0.02 -0.04 3.26 3.24 2z36A1 HIS 354 HB3 -0.01 -0.03 0.06 -0.04 3.20 3.19 2z36A1 HIS 354 HD2 -0.07 0.04 -0.02 -0.04 6.97 6.88 2z36A1 HIS 354 HE1 -0.69 0.15 0.08 -0.04 7.75 7.25 2z36A1 GLN 355 H 0.02 0.43 -0.54 -0.55 8.47 7.83 2z36A1 GLN 355 HA 0.08 0.02 0.17 -0.75 4.36 3.88 2z36A1 GLN 355 HB2 -0.06 -0.04 -0.15 -0.04 2.15 1.86 2z36A1 GLN 355 HB3 -0.05 -0.01 -0.15 -0.04 2.02 1.76 2z36A1 GLN 355 HG2 0.02 0.01 -0.16 -0.04 2.40 2.23 2z36A1 GLN 355 HG3 0.09 0.12 -0.56 -0.04 2.39 1.99 2z36A1 GLN 355 HE21 0.00 -0.09 -0.05 -0.04 6.97 6.80 2z36A1 GLN 355 HE22 0.10 0.29 -0.07 -0.04 7.69 7.97 2z36A1 CYS 356 H 0.09 0.60 0.23 -0.55 8.50 8.87 2z36A1 CYS 356 HA -0.00 0.02 0.38 -0.75 4.58 4.22 2z36A1 CYS 356 HB2 0.19 0.15 0.20 -0.04 2.97 3.47 2z36A1 CYS 356 HB3 -0.28 -0.08 0.14 -0.04 2.97 2.71 2z36A1 LEU 357 H -0.12 0.14 0.16 -0.55 8.37 8.01 2z36A1 LEU 357 HA -0.23 0.18 0.46 -0.75 4.35 4.00 2z36A1 LEU 357 HB2 -0.12 0.07 0.11 -0.04 1.64 1.66 2z36A1 LEU 357 HB3 -0.39 -0.05 -0.00 -0.04 1.64 1.16 2z36A1 LEU 357 HG -0.06 0.05 -0.03 -0.04 1.64 1.55 2z36A1 LEU 357 HD13 -0.06 -0.01 -0.11 -0.04 0.93 0.71 2z36A1 LEU 357 HD23 -0.27 -0.01 -0.02 -0.04 0.89 0.55 2z36A1 GLY 358 H -0.33 0.13 -0.10 -0.55 8.43 7.58 2z36A1 GLY 358 HA2 -0.71 0.22 0.77 -0.51 4.01 3.78 2z36A1 GLY 358 HA3 -0.33 0.09 0.30 -0.51 4.01 3.56 2z36A1 GLN 359 H -0.40 0.42 -0.62 -0.55 8.47 7.32 2z36A1 GLN 359 HA -0.87 0.05 0.29 -0.75 4.36 3.07 2z36A1 GLN 359 HB2 -2.15 -0.02 0.01 -0.04 2.15 -0.05 2z36A1 GLN 359 HB3 -1.02 0.05 0.04 -0.04 2.02 1.05 2z36A1 GLN 359 HG2 -0.33 0.07 -0.07 -0.04 2.40 2.03 2z36A1 GLN 359 HG3 -0.32 -0.05 -0.24 -0.04 2.39 1.73 2z36A1 GLN 359 HE21 -0.10 -0.10 -0.17 -0.04 6.97 6.55 2z36A1 GLN 359 HE22 -0.20 1.04 0.00 -0.04 7.69 8.49 2z36A1 ASN 360 H -0.17 0.20 -0.39 -0.55 8.53 7.62 2z36A1 ASN 360 HA -0.02 0.12 0.64 -0.75 4.76 4.75 2z36A1 ASN 360 HB2 0.02 0.13 0.03 -0.04 2.88 3.01 2z36A1 ASN 360 HB3 0.03 0.01 -0.03 -0.04 2.79 2.76 2z36A1 ASN 360 HD21 -0.03 -0.01 -0.05 -0.04 7.03 6.90 2z36A1 ASN 360 HD22 -0.01 0.14 -0.01 -0.04 7.74 7.82 2z36A1 LEU 361 H 0.04 0.18 -0.17 -0.55 8.37 7.87 2z36A1 LEU 361 HA 0.08 0.09 0.46 -0.75 4.35 4.23 2z36A1 LEU 361 HB2 0.27 0.03 0.09 -0.04 1.64 2.00 2z36A1 LEU 361 HB3 0.15 0.09 0.14 -0.04 1.64 1.98 2z36A1 LEU 361 HG 0.08 -0.01 -0.22 -0.04 1.64 1.45 2z36A1 LEU 361 HD13 0.04 -0.00 0.03 -0.04 0.93 0.95 2z36A1 LEU 361 HD23 0.15 0.01 -0.05 -0.04 0.89 0.95 2z36A1 ALA 362 H 0.02 0.50 -0.21 -0.55 8.40 8.17 2z36A1 ALA 362 HA 0.07 0.04 0.39 -0.75 4.34 4.09 2z36A1 ALA 362 HB3 0.20 0.04 0.02 -0.04 1.41 1.63 2z36A1 ARG 363 H 0.12 0.46 -0.17 -0.55 8.46 8.32 2z36A1 ARG 363 HA 0.17 0.01 0.32 -0.75 4.34 4.09 2z36A1 ARG 363 HB2 0.09 0.04 0.18 -0.04 1.90 2.17 2z36A1 ARG 363 HB3 0.11 -0.02 -0.05 -0.04 1.80 1.81 2z36A1 ARG 363 HG2 0.25 -0.03 -0.01 -0.04 1.67 1.84 2z36A1 ARG 363 HG3 0.38 0.10 0.05 -0.04 1.67 2.16 2z36A1 ARG 363 HD2 0.13 -0.02 -0.03 -0.04 3.22 3.26 2z36A1 ARG 363 HD3 0.23 -0.00 -0.05 -0.04 3.22 3.35 2z36A1 MET 364 H 0.06 0.40 -0.51 -0.55 8.47 7.87 2z36A1 MET 364 HA 0.04 0.00 0.37 -0.75 4.52 4.18 2z36A1 MET 364 HB2 0.04 0.07 0.10 -0.04 2.15 2.32 2z36A1 MET 364 HB3 0.03 0.12 0.13 -0.04 2.03 2.27 2z36A1 MET 364 HG2 0.01 -0.02 -0.17 -0.04 2.63 2.42 2z36A1 MET 364 HG3 0.02 -0.05 0.02 -0.04 2.56 2.50 2z36A1 MET 364 HE3 0.02 -0.02 -0.09 -0.04 2.10 1.97 2z36A1 GLU 365 H 0.02 0.58 -0.08 -0.55 8.60 8.58 2z36A1 GLU 365 HA -0.03 -0.01 0.34 -0.75 4.29 3.84 2z36A1 GLU 365 HB2 -0.00 0.11 0.20 -0.04 2.09 2.36 2z36A1 GLU 365 HB3 -0.05 -0.04 -0.07 -0.04 1.99 1.78 2z36A1 GLU 365 HG2 -0.01 -0.05 -0.03 -0.04 2.34 2.21 2z36A1 GLU 365 HG3 0.01 0.06 0.03 -0.04 2.34 2.40 2z36A1 LEU 366 H -0.04 0.65 -0.09 -0.55 8.37 8.35 2z36A1 LEU 366 HA -0.52 -0.01 0.32 -0.75 4.35 3.39 2z36A1 LEU 366 HB2 0.04 0.07 0.07 -0.04 1.64 1.79 2z36A1 LEU 366 HB3 -0.06 -0.02 -0.06 -0.04 1.64 1.47 2z36A1 LEU 366 HG -0.01 0.10 -0.01 -0.04 1.64 1.69 2z36A1 LEU 366 HD13 0.14 -0.01 -0.12 -0.04 0.93 0.90 2z36A1 LEU 366 HD23 -0.13 0.00 -0.14 -0.04 0.89 0.57 2z36A1 GLN 367 H 0.02 0.60 -0.17 -0.55 8.47 8.37 2z36A1 GLN 367 HA 0.18 -0.03 0.31 -0.75 4.36 4.07 2z36A1 GLN 367 HB2 0.10 0.04 0.10 -0.04 2.15 2.35 2z36A1 GLN 367 HB3 0.05 0.12 0.17 -0.04 2.02 2.32 2z36A1 GLN 367 HG2 0.09 -0.05 -0.06 -0.04 2.40 2.34 2z36A1 GLN 367 HG3 0.08 -0.06 -0.03 -0.04 2.39 2.34 2z36A1 GLN 367 HE21 0.04 -0.03 -0.03 -0.04 6.97 6.91 2z36A1 GLN 367 HE22 0.05 -0.03 -0.02 -0.04 7.69 7.66 2z36A1 ILE 368 H -0.02 0.65 -0.14 -0.55 8.25 8.19 2z36A1 ILE 368 HA 0.01 -0.02 0.42 -0.75 4.18 3.84 2z36A1 ILE 368 HB -0.03 0.12 0.09 -0.04 1.89 2.02 2z36A1 ILE 368 HG12 0.01 -0.07 0.01 -0.04 1.49 1.40 2z36A1 ILE 368 HG13 0.01 0.20 0.09 -0.04 1.21 1.46 2z36A1 ILE 368 HG23 -0.01 -0.03 -0.13 -0.04 0.93 0.71 2z36A1 ILE 368 HD13 0.00 -0.04 -0.06 -0.04 0.88 0.75 2z36A1 VAL 369 H -0.17 0.72 -0.10 -0.55 8.24 8.13 2z36A1 VAL 369 HA -0.11 -0.02 0.39 -0.75 4.13 3.63 2z36A1 VAL 369 HB -0.53 0.07 0.13 -0.04 2.12 1.75 2z36A1 VAL 369 HG13 -0.22 -0.02 -0.16 -0.04 0.97 0.52 2z36A1 VAL 369 HG23 -0.15 0.08 -0.05 -0.04 0.95 0.79 2z36A1 PHE 370 H -0.31 0.80 -0.00 -0.55 8.34 8.27 2z36A1 PHE 370 HA -0.12 0.00 0.37 -0.75 4.62 4.11 2z36A1 PHE 370 HB2 0.07 0.05 0.08 -0.04 3.15 3.31 2z36A1 PHE 370 HB3 0.17 -0.02 -0.06 -0.04 3.06 3.10 2z36A1 PHE 370 HD2 0.01 -0.03 -0.15 -0.04 7.28 7.07 2z36A1 PHE 370 HE2 0.02 -0.01 -0.07 -0.04 7.38 7.29 2z36A1 PHE 370 HZ 0.01 0.10 -0.02 -0.04 7.32 7.37 2z36A1 ASP 371 H 0.15 0.53 -0.11 -0.55 8.40 8.42 2z36A1 ASP 371 HA 0.16 0.06 0.35 -0.75 4.63 4.44 2z36A1 ASP 371 HB2 0.06 0.06 0.18 -0.04 2.71 2.96 2z36A1 ASP 371 HB3 0.06 -0.04 -0.01 -0.04 2.70 2.67 2z36A1 THR 372 H 0.01 0.53 -0.07 -0.55 8.28 8.21 2z36A1 THR 372 HA -0.01 -0.01 0.34 -0.75 4.39 3.96 2z36A1 THR 372 HB -0.05 0.06 0.10 -0.04 4.32 4.39 2z36A1 THR 372 HG23 -0.04 -0.03 -0.13 -0.04 1.22 0.98 2z36A1 LEU 373 H -0.10 0.65 -0.16 -0.55 8.37 8.21 2z36A1 LEU 373 HA -0.18 -0.03 0.34 -0.75 4.35 3.72 2z36A1 LEU 373 HB2 -0.22 0.29 0.16 -0.04 1.64 1.83 2z36A1 LEU 373 HB3 -0.58 0.04 0.07 -0.04 1.64 1.12 2z36A1 LEU 373 HG -0.20 -0.07 -0.01 -0.04 1.64 1.31 2z36A1 LEU 373 HD13 -0.42 -0.02 -0.08 -0.04 0.93 0.37 2z36A1 LEU 373 HD23 -0.29 -0.00 -0.06 -0.04 0.89 0.49 2z36A1 PHE 374 H -0.06 0.57 -0.13 -0.55 8.34 8.16 2z36A1 PHE 374 HA -0.01 0.16 0.44 -0.75 4.62 4.45 2z36A1 PHE 374 HB2 0.03 0.13 0.06 -0.04 3.15 3.33 2z36A1 PHE 374 HB3 0.02 -0.03 0.06 -0.04 3.06 3.07 2z36A1 PHE 374 HD2 0.04 0.08 -0.02 -0.04 7.28 7.34 2z36A1 PHE 374 HE2 0.01 -0.02 -0.06 -0.04 7.38 7.28 2z36A1 PHE 374 HZ 0.04 -0.06 -0.03 -0.04 7.32 7.24 2z36A1 ARG 375 H 0.05 0.39 -0.29 -0.55 8.46 8.06 2z36A1 ARG 375 HA 0.05 0.09 0.66 -0.75 4.34 4.39 2z36A1 ARG 375 HB2 0.05 -0.01 0.07 -0.04 1.90 1.97 2z36A1 ARG 375 HB3 0.02 0.07 0.13 -0.04 1.80 1.98 2z36A1 ARG 375 HG2 0.00 -0.01 -0.23 -0.04 1.67 1.38 2z36A1 ARG 375 HG3 0.02 -0.03 0.06 -0.04 1.67 1.67 2z36A1 ARG 375 HD2 0.01 -0.07 -0.03 -0.04 3.22 3.09 2z36A1 ARG 375 HD3 0.02 -0.00 -0.00 -0.04 3.22 3.20 2z36A1 ARG 376 H -0.05 0.54 -0.04 -0.55 8.46 8.36 2z36A1 ARG 376 HA -0.07 0.08 0.71 -0.75 4.34 4.31 2z36A1 ARG 376 HB2 -0.08 0.11 0.10 -0.04 1.90 1.99 2z36A1 ARG 376 HB3 -0.16 0.01 -0.04 -0.04 1.80 1.57 2z36A1 ARG 376 HG2 -0.12 -0.02 -0.03 -0.04 1.67 1.46 2z36A1 ARG 376 HG3 -0.09 -0.01 0.11 -0.04 1.67 1.64 2z36A1 ARG 376 HD2 -0.05 -0.05 -0.01 -0.04 3.22 3.07 2z36A1 ARG 376 HD3 -0.04 0.01 -0.04 -0.04 3.22 3.10 2z36A1 ILE 377 H -0.10 0.37 -0.24 -0.55 8.25 7.73 2z36A1 ILE 377 HA -0.26 0.12 0.77 -0.75 4.18 4.06 2z36A1 ILE 377 HB -0.29 0.12 0.21 -0.04 1.89 1.89 2z36A1 ILE 377 HG12 -0.72 0.08 -0.15 -0.04 1.49 0.66 2z36A1 ILE 377 HG13 -0.38 -0.07 -0.39 -0.04 1.21 0.34 2z36A1 ILE 377 HG23 -0.68 -0.05 -0.04 -0.04 0.93 0.12 2z36A1 ILE 377 HD13 -0.90 -0.01 -0.04 -0.04 0.88 -0.12 2z36A1 PRO 378 HA 0.14 0.20 0.53 -0.51 4.44 4.80 2z36A1 PRO 378 HB2 0.05 -0.06 0.01 -0.04 2.28 2.24 2z36A1 PRO 378 HB3 0.05 0.17 0.14 -0.04 2.02 2.34 2z36A1 PRO 378 HG2 0.02 -0.13 0.05 -0.04 2.03 1.93 2z36A1 PRO 378 HG3 0.02 0.04 0.02 -0.04 2.03 2.06 2z36A1 PRO 378 HD2 -0.08 0.13 -0.10 -0.04 3.68 3.59 2z36A1 PRO 378 HD3 -0.02 0.27 -0.44 -0.04 3.65 3.42 2z36A1 SER 379 H 0.08 0.10 -0.19 -0.55 8.46 7.90 2z36A1 SER 379 HA 0.11 0.19 0.64 -0.75 4.49 4.68 2z36A1 SER 379 HB2 0.17 -0.01 0.18 -0.04 3.95 4.26 2z36A1 SER 379 HB3 0.12 0.02 0.09 -0.04 3.93 4.11 2z36A1 LEU 380 H 0.19 0.37 -0.53 -0.55 8.37 7.86 2z36A1 LEU 380 HA 0.38 0.16 0.54 -0.75 4.35 4.68 2z36A1 LEU 380 HB2 0.12 0.06 0.12 -0.04 1.64 1.90 2z36A1 LEU 380 HB3 0.32 0.03 0.11 -0.04 1.64 2.06 2z36A1 LEU 380 HG 0.25 -0.02 -0.29 -0.04 1.64 1.53 2z36A1 LEU 380 HD13 0.34 0.01 0.00 -0.04 0.93 1.24 2z36A1 LEU 380 HD23 0.08 -0.02 -0.08 -0.04 0.89 0.82 2z36A1 ARG 381 H 0.23 0.66 0.48 -0.55 8.46 9.28 2z36A1 ARG 381 HA 0.14 0.13 0.71 -0.75 4.34 4.56 2z36A1 ARG 381 HB2 0.08 -0.09 0.12 -0.04 1.90 1.96 2z36A1 ARG 381 HB3 0.10 0.11 -0.14 -0.04 1.80 1.83 2z36A1 ARG 381 HG2 0.11 0.09 -0.12 -0.04 1.67 1.72 2z36A1 ARG 381 HG3 0.06 -0.02 -0.37 -0.04 1.67 1.30 2z36A1 ARG 381 HD2 0.04 0.00 -0.09 -0.04 3.22 3.13 2z36A1 ARG 381 HD3 0.06 0.00 -0.07 -0.04 3.22 3.17 2z36A1 LEU 382 H 0.09 0.14 0.15 -0.55 8.37 8.20 2z36A1 LEU 382 HA 0.07 0.16 0.75 -0.75 4.35 4.58 2z36A1 LEU 382 HB2 0.08 -0.05 0.19 -0.04 1.64 1.82 2z36A1 LEU 382 HB3 0.05 0.21 0.07 -0.04 1.64 1.93 2z36A1 LEU 382 HG 0.05 0.02 0.05 -0.04 1.64 1.72 2z36A1 LEU 382 HD13 0.10 0.01 -0.07 -0.04 0.93 0.92 2z36A1 LEU 382 HD23 0.12 -0.01 0.01 -0.04 0.89 0.96 2z36A1 ALA 383 H 0.03 0.49 0.00 -0.55 8.40 8.37 2z36A1 ALA 383 HA -0.01 0.10 0.32 -0.75 4.34 4.00 2z36A1 ALA 383 HB3 -0.03 -0.02 -0.18 -0.04 1.41 1.14 2z36A1 VAL 384 H 0.02 0.16 -0.35 -0.55 8.24 7.52 2z36A1 VAL 384 HA 0.00 0.18 0.74 -0.75 4.13 4.30 2z36A1 VAL 384 HB 0.00 0.00 0.06 -0.04 2.12 2.14 2z36A1 VAL 384 HG13 -0.01 -0.01 -0.26 -0.04 0.97 0.64 2z36A1 VAL 384 HG23 -0.00 0.08 -0.23 -0.04 0.95 0.75 2z36A1 PRO 385 HA 0.04 0.12 0.48 -0.51 4.44 4.57 2z36A1 PRO 385 HB2 0.04 -0.06 0.04 -0.04 2.28 2.26 2z36A1 PRO 385 HB3 0.02 0.08 0.10 -0.04 2.02 2.18 2z36A1 PRO 385 HG2 0.03 -0.08 -0.00 -0.04 2.03 1.94 2z36A1 PRO 385 HG3 0.02 0.07 0.04 -0.04 2.03 2.12 2z36A1 PRO 385 HD2 0.01 0.10 0.18 -0.04 3.68 3.93 2z36A1 PRO 385 HD3 0.01 0.17 0.14 -0.04 3.65 3.93 2z36A1 MET 386 H 0.07 0.15 0.18 -0.55 8.47 8.33 2z36A1 MET 386 HA 0.13 0.12 0.41 -0.75 4.52 4.42 2z36A1 MET 386 HB2 0.14 0.05 0.19 -0.04 2.15 2.49 2z36A1 MET 386 HB3 0.14 -0.08 0.17 -0.04 2.03 2.23 2z36A1 MET 386 HG2 0.34 0.03 0.02 -0.04 2.63 2.97 2z36A1 MET 386 HG3 0.35 0.02 -0.16 -0.04 2.56 2.73 2z36A1 MET 386 HE3 0.32 0.02 0.04 -0.04 2.10 2.45 2z36A1 GLU 387 H 0.10 0.06 -0.08 -0.55 8.60 8.13 2z36A1 GLU 387 HA 0.15 0.10 0.33 -0.75 4.29 4.11 2z36A1 GLU 387 HB2 0.06 0.01 -0.07 -0.04 2.09 2.05 2z36A1 GLU 387 HB3 0.08 0.03 0.11 -0.04 1.99 2.17 2z36A1 GLU 387 HG2 0.06 0.02 0.04 -0.04 2.34 2.42 2z36A1 GLU 387 HG3 0.10 0.02 0.07 -0.04 2.34 2.48 2z36A1 ASP 388 H 0.05 0.32 -0.75 -0.55 8.40 7.47 2z36A1 ASP 388 HA 0.02 0.12 0.70 -0.75 4.63 4.71 2z36A1 ASP 388 HB2 0.01 0.17 0.01 -0.04 2.71 2.86 2z36A1 ASP 388 HB3 -0.00 -0.04 0.01 -0.04 2.70 2.62 2z36A1 VAL 389 H -0.01 0.51 -0.01 -0.55 8.24 8.18 2z36A1 VAL 389 HA -0.13 0.08 0.55 -0.75 4.13 3.88 2z36A1 VAL 389 HB -0.31 0.05 0.18 -0.04 2.12 2.00 2z36A1 VAL 389 HG13 -0.51 -0.00 -0.14 -0.04 0.97 0.28 2z36A1 VAL 389 HG23 -0.04 0.00 0.05 -0.04 0.95 0.92 2z36A1 PRO 390 HA -0.00 0.11 0.60 -0.51 4.44 4.64 2z36A1 PRO 390 HB2 0.04 -0.05 0.11 -0.04 2.28 2.34 2z36A1 PRO 390 HB3 -0.03 0.08 0.13 -0.04 2.02 2.16 2z36A1 PRO 390 HG2 -0.02 -0.30 0.30 -0.04 2.03 1.97 2z36A1 PRO 390 HG3 -0.03 0.01 0.15 -0.04 2.03 2.11 2z36A1 PRO 390 HD2 -0.12 0.24 0.36 -0.04 3.68 4.11 2z36A1 PRO 390 HD3 -0.07 0.34 0.37 -0.04 3.65 4.25 2z36A1 PHE 391 H 0.15 0.27 0.28 -0.55 8.34 8.49 2z36A1 PHE 391 HA -0.10 0.04 0.83 -0.75 4.62 4.64 2z36A1 PHE 391 HB2 0.10 0.02 0.17 -0.04 3.15 3.40 2z36A1 PHE 391 HB3 -0.04 0.04 0.12 -0.04 3.06 3.14 2z36A1 PHE 391 HD2 -0.13 0.08 0.03 -0.04 7.28 7.21 2z36A1 PHE 391 HE2 -0.01 -0.01 -0.05 -0.04 7.38 7.28 2z36A1 PHE 391 HZ 0.06 -0.01 -0.04 -0.04 7.32 7.29 2z36A1 LYS 392 H -0.14 0.57 -0.01 -0.55 8.42 8.29 2z36A1 LYS 392 HA -0.02 0.12 0.48 -0.75 4.32 4.15 2z36A1 LYS 392 HB2 -0.22 -0.03 -0.07 -0.04 1.87 1.51 2z36A1 LYS 392 HB3 -0.15 0.02 0.11 -0.04 1.79 1.73 2z36A1 LYS 392 HG2 -1.36 0.04 -0.09 -0.04 1.46 0.01 2z36A1 LYS 392 HG3 -0.89 -0.16 -0.24 -0.04 1.46 0.13 2z36A1 LYS 392 HD2 -0.33 0.08 -0.24 -0.04 1.69 1.16 2z36A1 LYS 392 HD3 -0.26 -0.08 -0.22 -0.04 1.68 1.07 2z36A1 LYS 392 HE2 -0.14 -0.01 -0.05 -0.04 2.99 2.75 2z36A1 LYS 392 HE3 -0.11 0.04 -0.07 -0.04 2.99 2.80 2z36A1 GLY 393 H 0.27 0.37 -0.85 -0.55 8.43 7.68 2z36A1 GLY 393 HA2 0.34 0.03 0.31 -0.51 4.01 4.18 2z36A1 GLY 393 HA3 0.19 0.23 0.30 -0.51 4.01 4.23 2z36A1 ASP 394 H 0.13 0.06 -0.67 -0.55 8.40 7.37 2z36A1 ASP 394 HA 0.03 0.16 0.83 -0.75 4.63 4.90 2z36A1 ASP 394 HB2 0.03 -0.00 0.10 -0.04 2.71 2.80 2z36A1 ASP 394 HB3 0.05 -0.02 -0.07 -0.04 2.70 2.62 2z36A1 SER 395 H 0.09 0.55 -0.12 -0.55 8.46 8.44 2z36A1 SER 395 HA 0.03 0.11 0.79 -0.75 4.49 4.67 2z36A1 SER 395 HB2 0.04 0.22 -0.04 -0.04 3.95 4.12 2z36A1 SER 395 HB3 0.02 -0.09 0.05 -0.04 3.93 3.87 2z36A1 VAL 396 H 0.02 0.12 0.10 -0.55 8.24 7.93 2z36A1 VAL 396 HA 0.01 0.05 0.31 -0.75 4.13 3.74 2z36A1 VAL 396 HB 0.03 -0.04 0.11 -0.04 2.12 2.18 2z36A1 VAL 396 HG13 0.05 0.00 -0.08 -0.04 0.97 0.90 2z36A1 VAL 396 HG23 -0.00 0.02 0.09 -0.04 0.95 1.01 2z36A1 ILE 397 H 0.04 0.03 -0.18 -0.55 8.25 7.59 2z36A1 ILE 397 HA 0.08 0.43 0.98 -0.75 4.18 4.92 2z36A1 ILE 397 HB 0.03 -0.09 0.07 -0.04 1.89 1.85 2z36A1 ILE 397 HG12 0.06 0.08 -0.02 -0.04 1.49 1.57 2z36A1 ILE 397 HG13 0.05 -0.13 -0.16 -0.04 1.21 0.92 2z36A1 ILE 397 HG23 0.03 0.05 -0.17 -0.04 0.93 0.80 2z36A1 ILE 397 HD13 0.05 -0.02 -0.03 -0.04 0.88 0.84 2z36A1 TYR 398 H 0.19 0.28 0.19 -0.55 8.29 8.39 2z36A1 TYR 398 HA -0.01 0.07 0.27 -0.75 4.56 4.14 2z36A1 TYR 398 HB2 0.01 0.05 0.09 -0.04 3.06 3.17 2z36A1 TYR 398 HB3 0.02 -0.05 0.02 -0.04 2.98 2.93 2z36A1 TYR 398 HD2 0.05 0.05 -0.14 -0.04 7.15 7.06 2z36A1 TYR 398 HE2 -0.04 -0.01 -0.05 -0.04 6.85 6.71 2z36A1 GLY 399 H -0.68 0.19 0.14 -0.55 8.43 7.54 2z36A1 GLY 399 HA2 -0.34 0.11 0.32 -0.51 4.01 3.59 2z36A1 GLY 399 HA3 -0.22 0.10 0.46 -0.51 4.01 3.84 2z36A1 VAL 400 H -0.20 0.29 0.12 -0.55 8.24 7.90 2z36A1 VAL 400 HA -0.19 -0.02 0.96 -0.75 4.13 4.11 2z36A1 VAL 400 HB -0.38 0.09 -0.11 -0.04 2.12 1.68 2z36A1 VAL 400 HG13 -0.11 -0.00 -0.22 -0.04 0.97 0.59 2z36A1 VAL 400 HG23 -0.20 0.01 -0.38 -0.04 0.95 0.33 2z36A1 HIS 401 H -0.15 0.48 0.20 -0.55 8.41 8.39 2z36A1 HIS 401 HA -0.06 0.03 0.38 -0.75 4.63 4.23 2z36A1 HIS 401 HB2 -0.07 0.11 0.17 -0.04 3.26 3.43 2z36A1 HIS 401 HB3 -0.05 -0.04 0.01 -0.04 3.20 3.07 2z36A1 HIS 401 HD2 -0.01 0.10 -0.53 -0.04 6.97 6.49 2z36A1 HIS 401 HE1 -0.00 0.02 -0.04 -0.04 7.75 7.68 2z36A1 GLU 402 H -0.04 0.35 -0.02 -0.55 8.60 8.35 2z36A1 GLU 402 HA -0.04 -0.00 0.58 -0.75 4.29 4.08 2z36A1 GLU 402 HB2 -0.02 -0.08 0.01 -0.04 2.09 1.96 2z36A1 GLU 402 HB3 -0.01 0.10 -0.17 -0.04 1.99 1.88 2z36A1 GLU 402 HG2 -0.02 -0.01 0.09 -0.04 2.34 2.35 2z36A1 GLU 402 HG3 -0.04 0.03 -0.09 -0.04 2.34 2.20 2z36A1 LEU 403 H -0.04 -0.07 0.04 -0.55 8.37 7.75 2z36A1 LEU 403 HA -0.07 0.33 0.99 -0.75 4.35 4.85 2z36A1 LEU 403 HB2 -0.08 0.04 -0.16 -0.04 1.64 1.40 2z36A1 LEU 403 HB3 -0.03 -0.18 0.15 -0.04 1.64 1.54 2z36A1 LEU 403 HG 0.02 0.08 -0.20 -0.04 1.64 1.50 2z36A1 LEU 403 HD13 -0.03 0.02 -0.01 -0.04 0.93 0.87 2z36A1 LEU 403 HD23 0.03 -0.01 -0.03 -0.04 0.89 0.84 2z36A1 PRO 404 HA 0.00 0.15 0.37 -0.51 4.44 4.45 2z36A1 PRO 404 HB2 -0.01 -0.04 -0.01 -0.04 2.28 2.18 2z36A1 PRO 404 HB3 -0.02 0.05 -0.04 -0.04 2.02 1.98 2z36A1 PRO 404 HG2 -0.02 0.10 -0.05 -0.04 2.03 2.01 2z36A1 PRO 404 HG3 -0.02 -0.01 -0.11 -0.04 2.03 1.85 2z36A1 PRO 404 HD2 -0.03 0.15 0.12 -0.04 3.68 3.88 2z36A1 PRO 404 HD3 -0.04 0.15 -0.30 -0.04 3.65 3.42 2z36A1 VAL 405 H 0.02 0.30 0.49 -0.55 8.24 8.50 2z36A1 VAL 405 HA 0.06 -0.00 1.03 -0.75 4.13 4.46 2z36A1 VAL 405 HB 0.21 0.10 0.20 -0.04 2.12 2.60 2z36A1 VAL 405 HG13 0.09 -0.01 -0.27 -0.04 0.97 0.75 2z36A1 VAL 405 HG23 0.20 0.04 0.04 -0.04 0.95 1.19 2z36A1 THR 406 H 0.13 0.67 0.42 -0.55 8.28 8.95 2z36A1 THR 406 HA -0.60 0.13 0.59 -0.75 4.39 3.75 2z36A1 THR 406 HB -0.28 0.02 0.17 -0.04 4.32 4.18 2z36A1 THR 406 HG23 -0.25 0.04 0.04 -0.04 1.22 1.01 2z36A1 TRP 407 H -0.67 0.34 0.23 -0.55 7.97 7.32 2z36A1 TRP 407 HA 0.06 0.33 0.47 -0.75 4.62 4.72 2z36A1 TRP 407 HB2 0.02 -0.07 -0.08 -0.04 3.23 3.06 2z36A1 TRP 407 HB3 0.03 0.08 -0.26 -0.04 3.23 3.04 2z36A1 TRP 407 HD1 -0.05 0.04 -0.39 -0.04 7.22 6.79 2z36A1 TRP 407 HE1 -0.08 0.04 -0.08 -0.04 10.20 10.03 2z36A1 TRP 407 HE3 0.02 0.05 -0.41 -0.04 7.59 7.20 2z36A1 TRP 407 HZ2 -0.04 0.16 -0.13 -0.04 7.44 7.39 2z36A1 TRP 407 HZ3 -0.01 -0.06 -0.16 -0.04 7.13 6.86 2z36A1 TRP 407 HH2 -0.02 -0.03 -0.10 -0.04 7.19 7.01 2z36A1 HIS 408 H 0.35 0.15 0.07 -0.55 8.41 8.43 2z36A1 HIS 408 HA 0.05 0.13 0.85 -0.75 4.63 4.91 2z36A1 HIS 408 HB2 0.07 0.02 0.01 -0.04 3.26 3.33 2z36A1 HIS 408 HB3 0.11 -0.02 0.14 -0.04 3.20 3.38 2z36A1 HIS 408 HD2 0.08 -0.01 -0.03 -0.04 6.97 6.97 2z36A1 HIS 408 HE1 0.09 -0.02 -0.07 -0.04 7.75 7.71 2z36A1 HIS 409 H 0.29 0.19 0.18 -0.55 8.41 8.53 2z36A1 HIS 409 HA 0.01 0.08 0.64 -0.75 4.63 4.61 2z36A1 HIS 409 HB2 0.03 0.05 0.09 -0.04 3.26 3.40 2z36A1 HIS 409 HB3 0.05 -0.05 0.20 -0.04 3.20 3.36 2z36A1 HIS 409 HD2 0.01 -0.01 0.01 -0.04 6.97 6.93 2z36A1 HIS 409 HE1 -0.19 -0.02 0.02 -0.04 7.75 7.51 2z36A1 HIS 410 H -0.09 0.15 0.15 -0.55 8.41 8.07 2z36A1 HIS 410 HA 0.09 0.22 0.95 -0.75 4.63 5.14 2z36A1 HIS 410 HB2 -0.15 -0.07 0.17 -0.04 3.26 3.17 2z36A1 HIS 410 HB3 -0.57 0.03 -0.07 -0.04 3.20 2.55 2z36A1 HIS 410 HD2 -0.17 -0.01 -0.00 -0.04 6.97 6.74 2z36A1 HIS 410 HE1 -0.01 -0.01 -0.04 -0.04 7.75 7.64 2z36A1 HIS 411 H 0.00 0.29 0.22 -0.55 8.41 8.38 2z36A1 HIS 411 HA -0.12 0.11 0.61 -0.75 4.63 4.48 2z36A1 HIS 411 HB2 -0.02 -0.04 -0.09 -0.04 3.26 3.08 2z36A1 HIS 411 HB3 -0.03 0.08 -0.04 -0.04 3.20 3.17 2z36A1 HIS 411 HD2 -0.08 -0.02 -0.11 -0.04 6.97 6.71 2z36A1 HIS 411 HE1 0.06 -0.03 0.03 -0.04 7.75 7.76 2z36A1 HIS 412 H 0.14 0.15 0.05 -0.55 8.41 8.20 2z36A1 HIS 412 HA -0.03 0.27 0.77 -0.75 4.63 4.89 2z36A1 HIS 412 HB2 0.03 0.01 0.09 -0.04 3.26 3.34 2z36A1 HIS 412 HB3 -0.01 0.03 0.07 -0.04 3.20 3.24 2z36A1 HIS 412 HD2 0.01 0.01 -0.03 -0.04 6.97 6.92 2z36A1 HIS 412 HE1 -0.22 0.03 -0.06 -0.04 7.75 7.46