============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. PHE 30 1.000 20.439 56.405 23.854 -99.200 -91.000 PHE 47 1.000 18.371 83.710 36.198 -99.200 -91.000 TYR 54 0.840 18.539 99.230 23.548 -99.200 -91.000 PHE 74 1.000 27.294 92.167 28.165 -99.200 -91.000 TYR 79 0.840 23.939 98.272 35.328 -99.200 -91.000 HIS 80 0.900 23.816 92.435 40.289 -99.200 -91.000 TRP 83 1.040 17.058 101.164 34.963 -99.200 -91.000 TRP6 83 1.020 15.380 99.492 35.075 -99.200 -91.000 PHE 116 1.000 12.949 101.804 23.930 -99.200 -91.000 PHE 140 1.000 12.002 63.434 31.871 -99.200 -91.000 PHE 173 1.000 23.079 26.065 26.985 -99.200 -91.000 TYR 192 0.840 32.670 27.320 10.030 -99.200 -91.000 HIS 200 0.900 27.292 37.955 22.921 -99.200 -91.000 HIS 220 0.900 27.325 12.168 32.946 -99.200 -91.000 PHE 226 1.000 19.371 23.348 29.823 -99.200 -91.000 TYR 249 0.840 20.860 14.439 24.176 -99.200 -91.000 PHE 262 1.000 8.881 21.000 25.760 -99.200 -91.000 TRP 263 1.040 2.828 27.173 24.780 -99.200 -91.000 TRP6 263 1.020 3.644 29.156 25.770 -99.200 -91.000 PHE 273 1.000 9.210 30.698 22.688 -99.200 -91.000 PHE 275 1.000 7.971 31.612 29.461 -99.200 -91.000 TRP 282 1.040 10.975 34.118 34.602 -99.200 -91.000 TRP6 282 1.020 8.995 32.868 34.939 -99.200 -91.000 PHE 283 1.000 14.950 26.697 28.080 -99.200 -91.000 PHE 297 1.000 16.184 37.969 21.199 -99.200 -91.000 TYR 298 0.840 12.309 42.569 15.829 -99.200 -91.000 PHE 337 1.000 4.922 38.407 12.601 -99.200 -91.000 HIS 357 0.900 12.450 32.404 -4.436 -99.200 -91.000 HIS 361 0.900 15.708 29.007 0.442 -99.200 -91.000 PHE 363 1.000 19.859 36.028 9.152 -99.200 -91.000 PHE 366 1.000 15.452 38.354 9.229 -99.200 -91.000 PHE 372 1.000 10.055 41.016 10.550 -99.200 -91.000 TRP 387 1.040 -5.680 49.787 1.125 -99.200 -91.000 TRP6 387 1.020 -4.568 51.768 1.759 -99.200 -91.000 PHE 393 1.000 13.245 44.268 9.086 -99.200 -91.000 PHE 397 1.000 16.793 42.419 12.200 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1fc5A1 THR 5 HA 0.02 -0.05 0.14 -0.75 4.39 3.75 1fc5A1 THR 5 HB 0.03 -0.03 0.08 -0.04 4.32 4.37 1fc5A1 THR 5 HG23 0.04 0.02 -0.01 -0.04 1.22 1.23 1fc5A1 GLY 6 H 0.03 0.15 0.15 -0.55 8.43 8.22 1fc5A1 GLY 6 HA2 0.02 0.19 0.87 -0.51 4.01 4.58 1fc5A1 GLY 6 HA3 0.02 -0.00 0.28 -0.51 4.01 3.79 1fc5A1 LEU 7 H 0.01 0.15 0.11 -0.55 8.37 8.09 1fc5A1 LEU 7 HA 0.03 0.38 0.83 -0.75 4.35 4.84 1fc5A1 LEU 7 HB2 0.01 -0.01 0.12 -0.04 1.64 1.72 1fc5A1 LEU 7 HB3 0.02 -0.02 -0.11 -0.04 1.64 1.48 1fc5A1 LEU 7 HG 0.03 -0.07 -0.14 -0.04 1.64 1.41 1fc5A1 LEU 7 HD13 0.03 0.02 -0.02 -0.04 0.93 0.92 1fc5A1 LEU 7 HD23 0.05 0.04 -0.24 -0.04 0.89 0.70 1fc5A1 SER 9 HA -0.05 -0.02 0.20 -0.75 4.49 3.87 1fc5A1 SER 9 HB2 -0.06 0.11 0.22 -0.04 3.95 4.19 1fc5A1 SER 9 HB3 -0.09 -0.06 0.10 -0.04 3.93 3.85 1fc5A1 LEU 10 H -0.04 0.16 0.13 -0.55 8.37 8.06 1fc5A1 LEU 10 HA -0.12 0.13 0.48 -0.75 4.35 4.08 1fc5A1 LEU 10 HB2 -0.01 0.03 0.05 -0.04 1.64 1.67 1fc5A1 LEU 10 HB3 0.01 -0.05 0.14 -0.04 1.64 1.69 1fc5A1 LEU 10 HG -0.05 0.03 -0.28 -0.04 1.64 1.30 1fc5A1 LEU 10 HD13 -0.16 0.02 -0.02 -0.04 0.93 0.73 1fc5A1 LEU 10 HD23 0.06 0.02 -0.05 -0.04 0.89 0.88 1fc5A1 ASP 11 H -0.06 0.08 -0.01 -0.55 8.40 7.87 1fc5A1 ASP 11 HA -0.09 0.17 0.45 -0.75 4.63 4.41 1fc5A1 ASP 11 HB2 -0.06 0.06 -0.02 -0.04 2.71 2.64 1fc5A1 ASP 11 HB3 -0.05 0.08 0.09 -0.04 2.70 2.78 1fc5A1 THR 12 H -0.12 0.02 -0.49 -0.55 8.28 7.14 1fc5A1 THR 12 HA -0.13 0.06 0.40 -0.75 4.39 3.97 1fc5A1 THR 12 HB -0.19 0.25 0.11 -0.04 4.32 4.44 1fc5A1 THR 12 HG23 -0.17 0.00 -0.11 -0.04 1.22 0.90 1fc5A1 ALA 13 H -0.27 0.50 -0.04 -0.55 8.40 8.04 1fc5A1 ALA 13 HA -0.74 -0.00 0.36 -0.75 4.34 3.20 1fc5A1 ALA 13 HB3 -0.39 0.01 0.08 -0.04 1.41 1.07 1fc5A1 LEU 14 H -0.20 0.42 -0.25 -0.55 8.37 7.79 1fc5A1 LEU 14 HA -0.19 0.05 0.40 -0.75 4.35 3.86 1fc5A1 LEU 14 HB2 -0.15 0.07 0.14 -0.04 1.64 1.66 1fc5A1 LEU 14 HB3 -0.12 -0.03 0.13 -0.04 1.64 1.58 1fc5A1 LEU 14 HG -0.16 0.02 0.07 -0.04 1.64 1.53 1fc5A1 LEU 14 HD13 -0.10 -0.02 -0.00 -0.04 0.93 0.76 1fc5A1 LEU 14 HD23 -0.12 0.00 -0.14 -0.04 0.89 0.58 1fc5A1 ASN 15 H -0.13 0.58 0.00 -0.55 8.53 8.44 1fc5A1 ASN 15 HA -0.09 0.02 0.36 -0.75 4.76 4.29 1fc5A1 ASN 15 HB2 -0.09 0.02 0.13 -0.04 2.88 2.89 1fc5A1 ASN 15 HB3 -0.07 -0.07 0.02 -0.04 2.79 2.63 1fc5A1 ASN 15 HD21 -0.06 -0.14 -0.04 -0.04 7.03 6.75 1fc5A1 ASN 15 HD22 -0.07 -0.08 -0.08 -0.04 7.74 7.46 1fc5A1 GLU 16 H -0.15 0.48 -0.39 -0.55 8.60 7.98 1fc5A1 GLU 16 HA -0.04 -0.05 0.22 -0.75 4.29 3.67 1fc5A1 GLU 16 HB2 -0.14 -0.02 0.05 -0.04 2.09 1.93 1fc5A1 GLU 16 HB3 -0.20 0.23 0.11 -0.04 1.99 2.09 1fc5A1 GLU 16 HG2 0.13 -0.07 0.01 -0.04 2.34 2.37 1fc5A1 GLU 16 HG3 0.19 0.01 0.06 -0.04 2.34 2.56 1fc5A1 LEU 18 HA -0.17 -0.10 0.32 -0.75 4.35 3.65 1fc5A1 LEU 18 HB2 -0.10 0.04 0.03 -0.04 1.64 1.57 1fc5A1 LEU 18 HB3 -0.09 -0.04 -0.03 -0.04 1.64 1.44 1fc5A1 LEU 18 HG -0.14 0.16 0.01 -0.04 1.64 1.63 1fc5A1 LEU 18 HD13 -0.09 -0.03 -0.10 -0.04 0.93 0.67 1fc5A1 LEU 18 HD23 -0.13 -0.03 -0.05 -0.04 0.89 0.64 1fc5A1 SER 19 H -0.07 0.55 -0.65 -0.55 8.46 7.74 1fc5A1 SER 19 HA -0.03 0.03 0.44 -0.75 4.49 4.18 1fc5A1 SER 19 HB2 0.00 -0.13 0.10 -0.04 3.95 3.89 1fc5A1 SER 19 HB3 -0.03 0.04 0.09 -0.04 3.93 4.00 1fc5A1 ARG 20 H -0.07 0.18 -0.11 -0.55 8.46 7.90 1fc5A1 ARG 20 HA 0.09 0.09 0.64 -0.75 4.34 4.41 1fc5A1 ARG 20 HB2 -0.19 0.01 -0.03 -0.04 1.90 1.65 1fc5A1 ARG 20 HB3 0.21 -0.08 0.05 -0.04 1.80 1.94 1fc5A1 ARG 20 HG2 0.05 0.07 0.07 -0.04 1.67 1.82 1fc5A1 ARG 20 HG3 0.14 0.01 0.01 -0.04 1.67 1.78 1fc5A1 ARG 20 HD2 0.16 -0.01 -0.01 -0.04 3.22 3.32 1fc5A1 ARG 20 HD3 0.14 -0.03 -0.01 -0.04 3.22 3.27 1fc5A1 VAL 21 H -0.14 0.26 -0.20 -0.55 8.24 7.60 1fc5A1 VAL 21 HA 0.17 0.14 0.82 -0.75 4.13 4.50 1fc5A1 VAL 21 HB -0.10 -0.00 0.03 -0.04 2.12 2.00 1fc5A1 VAL 21 HG13 -0.99 -0.02 -0.08 -0.04 0.97 -0.17 1fc5A1 VAL 21 HG23 -0.13 0.04 -0.11 -0.04 0.95 0.71 1fc5A1 THR 22 H 0.19 0.15 0.15 -0.55 8.28 8.22 1fc5A1 THR 22 HA 0.05 0.24 0.87 -0.75 4.39 4.80 1fc5A1 THR 22 HB 0.12 -0.06 0.03 -0.04 4.32 4.36 1fc5A1 THR 22 HG23 0.05 0.03 -0.02 -0.04 1.22 1.25 1fc5A1 PRO 23 HA 0.03 0.08 0.75 -0.51 4.44 4.79 1fc5A1 PRO 23 HB2 0.01 0.07 0.04 -0.04 2.28 2.36 1fc5A1 PRO 23 HB3 0.01 0.34 0.16 -0.04 2.02 2.48 1fc5A1 PRO 23 HG2 0.02 -0.04 0.11 -0.04 2.03 2.08 1fc5A1 PRO 23 HG3 0.01 0.02 0.06 -0.04 2.03 2.07 1fc5A1 PRO 23 HD2 0.03 0.02 0.22 -0.04 3.68 3.90 1fc5A1 PRO 23 HD3 0.01 0.18 0.02 -0.04 3.65 3.82 1fc5A1 LEU 24 H 0.04 0.45 0.31 -0.55 8.37 8.62 1fc5A1 LEU 24 HA 0.05 -0.06 0.40 -0.75 4.35 3.98 1fc5A1 LEU 24 HB2 0.03 0.13 0.06 -0.04 1.64 1.82 1fc5A1 LEU 24 HB3 0.03 -0.20 0.13 -0.04 1.64 1.56 1fc5A1 LEU 24 HG 0.06 0.17 0.19 -0.04 1.64 2.01 1fc5A1 LEU 24 HD13 0.04 -0.02 -0.03 -0.04 0.93 0.88 1fc5A1 LEU 24 HD23 0.07 -0.03 0.08 -0.04 0.89 0.97 1fc5A1 THR 25 H 0.03 -0.09 0.24 -0.55 8.28 7.91 1fc5A1 THR 25 HA 0.02 0.31 0.94 -0.75 4.39 4.90 1fc5A1 THR 25 HB 0.02 -0.06 0.08 -0.04 4.32 4.31 1fc5A1 THR 25 HG23 0.02 0.05 -0.09 -0.04 1.22 1.16 1fc5A1 ALA 26 H 0.02 -0.05 0.17 -0.55 8.40 8.00 1fc5A1 ALA 26 HA 0.01 0.01 0.53 -0.75 4.34 4.14 1fc5A1 ALA 26 HB3 0.02 0.02 0.14 -0.04 1.41 1.54 1fc5A1 GLN 27 H 0.01 0.07 0.25 -0.55 8.47 8.25 1fc5A1 GLN 27 HA 0.01 0.25 1.06 -0.75 4.36 4.93 1fc5A1 GLN 27 HB2 0.01 -0.10 0.02 -0.04 2.15 2.04 1fc5A1 GLN 27 HB3 0.01 0.08 -0.19 -0.04 2.02 1.88 1fc5A1 GLN 27 HG2 0.01 0.04 0.09 -0.04 2.40 2.50 1fc5A1 GLN 27 HG3 0.01 -0.07 -0.10 -0.04 2.39 2.19 1fc5A1 GLN 27 HE21 0.01 -0.03 -0.08 -0.04 6.97 6.83 1fc5A1 GLN 27 HE22 0.01 0.15 -0.02 -0.04 7.69 7.79 1fc5A1 GLU 28 H 0.01 0.62 0.33 -0.55 8.60 9.01 1fc5A1 GLU 28 HA 0.01 0.01 0.54 -0.75 4.29 4.09 1fc5A1 GLU 28 HB2 0.01 -0.03 0.07 -0.04 2.09 2.11 1fc5A1 GLU 28 HB3 0.01 0.08 -0.16 -0.04 1.99 1.87 1fc5A1 GLU 28 HG2 0.01 0.11 -0.12 -0.04 2.34 2.29 1fc5A1 GLU 28 HG3 0.01 -0.01 -0.31 -0.04 2.34 1.99 1fc5A1 THR 29 H 0.01 0.14 0.13 -0.55 8.28 8.01 1fc5A1 THR 29 HA 0.01 0.29 0.92 -0.75 4.39 4.86 1fc5A1 THR 29 HB 0.01 -0.03 0.06 -0.04 4.32 4.32 1fc5A1 THR 29 HG23 0.01 -0.01 -0.39 -0.04 1.22 0.79 1fc5A1 LEU 30 H 0.01 0.58 0.29 -0.55 8.37 8.70 1fc5A1 LEU 30 HA 0.01 0.17 0.95 -0.75 4.35 4.73 1fc5A1 LEU 30 HB2 0.01 0.03 -0.07 -0.04 1.64 1.57 1fc5A1 LEU 30 HB3 0.01 0.02 -0.01 -0.04 1.64 1.62 1fc5A1 LEU 30 HG 0.01 -0.04 -0.49 -0.04 1.64 1.08 1fc5A1 LEU 30 HD13 0.01 0.01 -0.12 -0.04 0.93 0.80 1fc5A1 LEU 30 HD23 0.01 0.05 -0.10 -0.04 0.89 0.81 1fc5A1 PRO 31 HA 0.01 0.30 0.65 -0.51 4.44 4.90 1fc5A1 PRO 31 HB2 0.02 -0.08 0.06 -0.04 2.28 2.24 1fc5A1 PRO 31 HB3 0.01 0.05 0.12 -0.04 2.02 2.17 1fc5A1 PRO 31 HG2 0.01 -0.03 0.07 -0.04 2.03 2.04 1fc5A1 PRO 31 HG3 0.01 0.05 0.07 -0.04 2.03 2.13 1fc5A1 PRO 31 HD2 0.01 0.14 0.25 -0.04 3.68 4.04 1fc5A1 PRO 31 HD3 0.01 0.14 0.15 -0.04 3.65 3.90 1fc5A1 LEU 32 H 0.02 0.46 0.27 -0.55 8.37 8.57 1fc5A1 LEU 32 HA 0.01 0.11 0.34 -0.75 4.35 4.05 1fc5A1 LEU 32 HB2 0.02 -0.05 0.08 -0.04 1.64 1.65 1fc5A1 LEU 32 HB3 0.02 -0.03 -0.02 -0.04 1.64 1.56 1fc5A1 LEU 32 HG 0.02 0.17 0.06 -0.04 1.64 1.84 1fc5A1 LEU 32 HD13 0.02 0.07 -0.06 -0.04 0.93 0.92 1fc5A1 LEU 32 HD23 0.01 -0.01 -0.19 -0.04 0.89 0.66 1fc5A1 VAL 33 H 0.02 0.11 -0.12 -0.55 8.24 7.71 1fc5A1 VAL 33 HA 0.04 0.06 0.33 -0.75 4.13 3.81 1fc5A1 VAL 33 HB 0.02 -0.02 0.08 -0.04 2.12 2.16 1fc5A1 VAL 33 HG13 0.02 0.00 -0.15 -0.04 0.97 0.80 1fc5A1 VAL 33 HG23 0.02 0.01 0.05 -0.04 0.95 0.98 1fc5A1 GLN 34 H 0.03 0.34 -0.59 -0.55 8.47 7.70 1fc5A1 GLN 34 HA 0.04 0.13 0.73 -0.75 4.36 4.50 1fc5A1 GLN 34 HB2 0.02 0.14 -0.01 -0.04 2.15 2.27 1fc5A1 GLN 34 HB3 0.02 0.01 0.10 -0.04 2.02 2.12 1fc5A1 GLN 34 HG2 0.02 0.02 -0.04 -0.04 2.40 2.36 1fc5A1 GLN 34 HG3 0.02 -0.11 -0.12 -0.04 2.39 2.13 1fc5A1 GLN 34 HE21 0.01 -0.02 0.01 -0.04 6.97 6.93 1fc5A1 GLN 34 HE22 0.02 0.05 0.01 -0.04 7.69 7.72 1fc5A1 CYS 35 H 0.03 0.54 -0.22 -0.55 8.50 8.31 1fc5A1 CYS 35 HA 0.02 0.28 0.82 -0.75 4.58 4.95 1fc5A1 CYS 35 HB2 -0.01 0.05 0.06 -0.04 2.97 3.03 1fc5A1 CYS 35 HB3 -0.03 -0.06 0.09 -0.04 2.97 2.93 1fc5A1 PHE 36 H 0.16 0.12 -0.23 -0.55 8.34 7.84 1fc5A1 PHE 36 HA -0.02 0.03 0.35 -0.75 4.62 4.22 1fc5A1 PHE 36 HB2 -0.01 -0.03 0.08 -0.04 3.15 3.15 1fc5A1 PHE 36 HB3 -0.01 0.04 0.08 -0.04 3.06 3.13 1fc5A1 PHE 36 HD2 -0.01 0.04 -0.18 -0.04 7.28 7.09 1fc5A1 PHE 36 HE2 -0.01 -0.07 0.03 -0.04 7.38 7.29 1fc5A1 PHE 36 HZ -0.01 -0.04 0.05 -0.04 7.32 7.28 1fc5A1 GLY 37 H -0.57 0.70 0.42 -0.55 8.43 8.43 1fc5A1 GLY 37 HA2 -0.20 -0.09 0.35 -0.51 4.01 3.57 1fc5A1 GLY 37 HA3 0.03 0.09 0.54 -0.51 4.01 4.16 1fc5A1 ARG 38 H -0.07 0.50 -0.23 -0.55 8.46 8.11 1fc5A1 ARG 38 HA -0.02 0.16 0.61 -0.75 4.34 4.33 1fc5A1 ARG 38 HB2 -0.03 -0.02 0.04 -0.04 1.90 1.85 1fc5A1 ARG 38 HB3 -0.01 -0.01 0.02 -0.04 1.80 1.76 1fc5A1 ARG 38 HG2 0.01 0.07 -0.22 -0.04 1.67 1.49 1fc5A1 ARG 38 HG3 0.01 -0.04 -0.04 -0.04 1.67 1.56 1fc5A1 ARG 38 HD2 0.01 0.06 -0.14 -0.04 3.22 3.10 1fc5A1 ARG 38 HD3 0.02 -0.01 -0.06 -0.04 3.22 3.14 1fc5A1 ILE 39 H -0.02 0.24 0.16 -0.55 8.25 8.07 1fc5A1 ILE 39 HA -0.05 0.21 0.81 -0.75 4.18 4.40 1fc5A1 ILE 39 HB -0.01 0.06 0.10 -0.04 1.89 1.99 1fc5A1 ILE 39 HG12 -0.02 -0.01 -0.00 -0.04 1.49 1.41 1fc5A1 ILE 39 HG13 -0.02 0.06 -0.15 -0.04 1.21 1.06 1fc5A1 ILE 39 HG23 -0.02 0.01 -0.44 -0.04 0.93 0.44 1fc5A1 ILE 39 HD13 -0.04 -0.01 -0.23 -0.04 0.88 0.56 1fc5A1 LEU 40 H -0.04 0.49 0.20 -0.55 8.37 8.48 1fc5A1 LEU 40 HA -0.01 0.12 0.51 -0.75 4.35 4.21 1fc5A1 LEU 40 HB2 -0.01 -0.12 0.23 -0.04 1.64 1.70 1fc5A1 LEU 40 HB3 0.01 0.08 -0.02 -0.04 1.64 1.67 1fc5A1 LEU 40 HG -0.05 0.03 0.03 -0.04 1.64 1.61 1fc5A1 LEU 40 HD13 0.05 0.01 -0.08 -0.04 0.93 0.87 1fc5A1 LEU 40 HD23 0.01 0.02 -0.01 -0.04 0.89 0.86 1fc5A1 ALA 41 H 0.00 0.64 0.37 -0.55 8.40 8.87 1fc5A1 ALA 41 HA 0.01 0.19 0.57 -0.75 4.34 4.35 1fc5A1 ALA 41 HB3 0.01 -0.02 -0.18 -0.04 1.41 1.17 1fc5A1 SER 42 H 0.01 0.25 0.01 -0.55 8.46 8.19 1fc5A1 SER 42 HA 0.01 0.13 0.70 -0.75 4.49 4.58 1fc5A1 SER 42 HB2 0.02 0.02 -0.04 -0.04 3.95 3.91 1fc5A1 SER 42 HB3 0.01 -0.05 0.11 -0.04 3.93 3.97 1fc5A1 ASP 43 H 0.02 0.10 0.14 -0.55 8.40 8.11 1fc5A1 ASP 43 HA 0.04 0.14 0.45 -0.75 4.63 4.51 1fc5A1 ASP 43 HB2 0.01 -0.01 0.03 -0.04 2.71 2.70 1fc5A1 ASP 43 HB3 0.02 0.04 -0.07 -0.04 2.70 2.64 1fc5A1 VAL 44 H 0.07 0.58 0.29 -0.55 8.24 8.63 1fc5A1 VAL 44 HA 0.04 0.17 0.84 -0.75 4.13 4.42 1fc5A1 VAL 44 HB 0.15 -0.12 0.28 -0.04 2.12 2.39 1fc5A1 VAL 44 HG13 0.07 -0.01 -0.12 -0.04 0.97 0.87 1fc5A1 VAL 44 HG23 0.09 0.03 0.00 -0.04 0.95 1.03 1fc5A1 VAL 45 H 0.01 0.26 0.08 -0.55 8.24 8.04 1fc5A1 VAL 45 HA -0.02 0.21 0.90 -0.75 4.13 4.47 1fc5A1 VAL 45 HB 0.00 -0.02 0.01 -0.04 2.12 2.08 1fc5A1 VAL 45 HG13 -0.01 0.04 -0.40 -0.04 0.97 0.56 1fc5A1 VAL 45 HG23 -0.00 -0.01 -0.26 -0.04 0.95 0.63 1fc5A1 SER 46 H -0.03 0.47 0.19 -0.55 8.46 8.54 1fc5A1 SER 46 HA -0.01 0.13 0.46 -0.75 4.49 4.32 1fc5A1 SER 46 HB2 -0.04 0.00 0.08 -0.04 3.95 3.95 1fc5A1 SER 46 HB3 -0.03 0.01 0.14 -0.04 3.93 4.01 1fc5A1 PRO 47 HA 0.00 0.09 0.64 -0.51 4.44 4.65 1fc5A1 PRO 47 HB2 0.01 -0.01 0.10 -0.04 2.28 2.34 1fc5A1 PRO 47 HB3 0.01 0.02 0.11 -0.04 2.02 2.11 1fc5A1 PRO 47 HG2 0.01 0.11 0.05 -0.04 2.03 2.15 1fc5A1 PRO 47 HG3 0.01 0.03 0.06 -0.04 2.03 2.09 1fc5A1 PRO 47 HD2 0.00 0.09 0.26 -0.04 3.68 3.99 1fc5A1 PRO 47 HD3 0.01 0.23 0.25 -0.04 3.65 4.09 1fc5A1 LEU 48 H -0.00 0.14 -0.11 -0.55 8.37 7.85 1fc5A1 LEU 48 HA 0.01 0.17 0.92 -0.75 4.35 4.69 1fc5A1 LEU 48 HB2 0.00 0.05 -0.05 -0.04 1.64 1.60 1fc5A1 LEU 48 HB3 0.01 0.02 0.09 -0.04 1.64 1.72 1fc5A1 LEU 48 HG 0.01 -0.08 -0.31 -0.04 1.64 1.22 1fc5A1 LEU 48 HD13 0.02 0.03 -0.03 -0.04 0.93 0.91 1fc5A1 LEU 48 HD23 0.02 0.03 0.02 -0.04 0.89 0.92 1fc5A1 ASP 49 H 0.00 0.14 0.14 -0.55 8.40 8.13 1fc5A1 ASP 49 HA -0.02 0.17 0.67 -0.75 4.63 4.70 1fc5A1 ASP 49 HB2 0.00 -0.01 0.12 -0.04 2.71 2.78 1fc5A1 ASP 49 HB3 -0.01 0.06 -0.05 -0.04 2.70 2.66 1fc5A1 VAL 50 H -0.03 0.61 0.24 -0.55 8.24 8.50 1fc5A1 VAL 50 HA -0.06 0.03 0.79 -0.75 4.13 4.13 1fc5A1 VAL 50 HB -0.04 -0.04 0.05 -0.04 2.12 2.06 1fc5A1 VAL 50 HG13 -0.05 -0.00 -0.13 -0.04 0.97 0.75 1fc5A1 VAL 50 HG23 -0.03 0.04 -0.35 -0.04 0.95 0.57 1fc5A1 PRO 51 HA -0.13 0.15 0.40 -0.51 4.44 4.35 1fc5A1 PRO 51 HB2 -0.34 0.06 0.04 -0.04 2.28 1.99 1fc5A1 PRO 51 HB3 -0.17 0.07 0.08 -0.04 2.02 1.96 1fc5A1 PRO 51 HG2 -0.11 -0.04 -0.31 -0.04 2.03 1.53 1fc5A1 PRO 51 HG3 -0.11 0.08 -0.12 -0.04 2.03 1.84 1fc5A1 PRO 51 HD2 -0.05 0.07 0.48 -0.04 3.68 4.13 1fc5A1 PRO 51 HD3 -0.07 0.11 0.12 -0.04 3.65 3.77 1fc5A1 GLY 52 H -0.26 0.16 0.15 -0.55 8.43 7.93 1fc5A1 GLY 52 HA2 -0.01 0.14 0.49 -0.51 4.01 4.12 1fc5A1 GLY 52 HA3 -0.01 0.04 0.37 -0.51 4.01 3.90 1fc5A1 PHE 53 H -0.42 0.18 -0.28 -0.55 8.34 7.26 1fc5A1 PHE 53 HA 0.01 0.03 0.41 -0.75 4.62 4.32 1fc5A1 PHE 53 HB2 0.01 0.02 0.05 -0.04 3.15 3.20 1fc5A1 PHE 53 HB3 0.01 0.17 -0.02 -0.04 3.06 3.18 1fc5A1 PHE 53 HD2 0.01 0.10 -0.43 -0.04 7.28 6.92 1fc5A1 PHE 53 HE2 0.01 0.06 -0.10 -0.04 7.38 7.31 1fc5A1 PHE 53 HZ 0.01 0.06 -0.01 -0.04 7.32 7.34 1fc5A1 ASP 54 H 0.18 0.13 0.13 -0.55 8.40 8.28 1fc5A1 ASP 54 HA 0.05 0.16 0.53 -0.75 4.63 4.62 1fc5A1 ASP 54 HB2 0.10 0.02 0.18 -0.04 2.71 2.98 1fc5A1 ASP 54 HB3 0.07 0.06 -0.04 -0.04 2.70 2.75 1fc5A1 ASN 55 H 0.03 0.52 0.32 -0.55 8.53 8.85 1fc5A1 ASN 55 HA 0.14 0.09 0.96 -0.75 4.76 5.20 1fc5A1 ASN 55 HB2 0.12 0.11 -0.29 -0.04 2.88 2.77 1fc5A1 ASN 55 HB3 0.14 0.00 -0.28 -0.04 2.79 2.61 1fc5A1 ASN 55 HD21 -0.13 -0.11 -0.03 -0.04 7.03 6.72 1fc5A1 ASN 55 HD22 -0.25 0.26 0.04 -0.04 7.74 7.75 1fc5A1 SER 56 H 0.05 0.69 0.06 -0.55 8.46 8.71 1fc5A1 SER 56 HA 0.01 0.19 0.70 -0.75 4.49 4.64 1fc5A1 SER 56 HB2 -0.01 0.01 -0.05 -0.04 3.95 3.86 1fc5A1 SER 56 HB3 -0.00 -0.10 -0.01 -0.04 3.93 3.77 1fc5A1 ALA 57 H 0.01 0.63 0.16 -0.55 8.40 8.65 1fc5A1 ALA 57 HA 0.00 0.16 0.63 -0.75 4.34 4.38 1fc5A1 ALA 57 HB3 0.00 -0.02 -0.04 -0.04 1.41 1.31 1fc5A1 ASP 59 HA -0.03 0.09 0.68 -0.75 4.63 4.61 1fc5A1 ASP 59 HB2 0.00 -0.07 0.15 -0.04 2.71 2.75 1fc5A1 ASP 59 HB3 -0.02 -0.03 -0.01 -0.04 2.70 2.60 1fc5A1 GLY 60 H -0.12 0.62 0.25 -0.55 8.43 8.64 1fc5A1 GLY 60 HA2 -0.01 -0.01 0.56 -0.51 4.01 4.04 1fc5A1 GLY 60 HA3 0.06 0.33 0.67 -0.51 4.01 4.56 1fc5A1 TYR 61 H 0.27 0.48 0.31 -0.55 8.29 8.80 1fc5A1 TYR 61 HA -0.02 0.25 1.14 -0.75 4.56 5.17 1fc5A1 TYR 61 HB2 0.35 -0.04 -0.01 -0.04 3.06 3.31 1fc5A1 TYR 61 HB3 0.16 -0.02 -0.08 -0.04 2.98 3.01 1fc5A1 TYR 61 HD2 0.07 0.01 -0.21 -0.04 7.15 6.99 1fc5A1 TYR 61 HE2 -0.02 0.01 -0.11 -0.04 6.85 6.68 1fc5A1 ALA 62 H -0.03 0.70 0.40 -0.55 8.40 8.92 1fc5A1 ALA 62 HA 0.01 0.25 0.94 -0.75 4.34 4.79 1fc5A1 ALA 62 HB3 -0.17 -0.02 0.09 -0.04 1.41 1.27 1fc5A1 VAL 63 H 0.07 0.49 0.34 -0.55 8.24 8.59 1fc5A1 VAL 63 HA 0.41 0.23 0.86 -0.75 4.13 4.88 1fc5A1 VAL 63 HB -0.02 -0.03 0.02 -0.04 2.12 2.05 1fc5A1 VAL 63 HG13 -0.14 0.02 -0.43 -0.04 0.97 0.38 1fc5A1 VAL 63 HG23 -0.18 0.00 -0.30 -0.04 0.95 0.42 1fc5A1 ARG 64 H 0.12 0.26 0.17 -0.55 8.46 8.45 1fc5A1 ARG 64 HA 0.05 0.19 0.88 -0.75 4.34 4.70 1fc5A1 ARG 64 HB2 -0.11 -0.09 0.13 -0.04 1.90 1.79 1fc5A1 ARG 64 HB3 -0.10 -0.01 0.09 -0.04 1.80 1.74 1fc5A1 ARG 64 HG2 -0.23 0.17 -0.14 -0.04 1.67 1.43 1fc5A1 ARG 64 HG3 -0.42 0.06 -0.04 -0.04 1.67 1.22 1fc5A1 ARG 64 HD2 -0.38 -0.08 0.01 -0.04 3.22 2.73 1fc5A1 ARG 64 HD3 -0.31 0.02 0.00 -0.04 3.22 2.89 1fc5A1 LEU 65 H -0.01 0.24 0.13 -0.55 8.37 8.19 1fc5A1 LEU 65 HA -0.04 0.10 0.32 -0.75 4.35 3.98 1fc5A1 LEU 65 HB2 -0.02 -0.01 0.13 -0.04 1.64 1.70 1fc5A1 LEU 65 HB3 -0.02 0.05 0.01 -0.04 1.64 1.64 1fc5A1 LEU 65 HG -0.01 -0.01 0.02 -0.04 1.64 1.61 1fc5A1 LEU 65 HD13 -0.01 0.01 0.03 -0.04 0.93 0.92 1fc5A1 LEU 65 HD23 -0.03 0.02 -0.15 -0.04 0.89 0.69 1fc5A1 ALA 66 H -0.04 0.10 -0.16 -0.55 8.40 7.75 1fc5A1 ALA 66 HA -0.03 0.10 0.42 -0.75 4.34 4.08 1fc5A1 ALA 66 HB3 -0.05 0.02 0.05 -0.04 1.41 1.39 1fc5A1 ASP 67 H -0.04 0.37 -0.41 -0.55 8.40 7.77 1fc5A1 ASP 67 HA -0.02 0.12 0.60 -0.75 4.63 4.58 1fc5A1 ASP 67 HB2 -0.00 0.08 0.13 -0.04 2.71 2.88 1fc5A1 ASP 67 HB3 0.03 0.10 -0.02 -0.04 2.70 2.76 1fc5A1 ILE 68 H -0.04 0.24 -0.07 -0.55 8.25 7.83 1fc5A1 ILE 68 HA 0.01 0.11 0.43 -0.75 4.18 3.97 1fc5A1 ILE 68 HB -0.05 0.06 0.14 -0.04 1.89 2.00 1fc5A1 ILE 68 HG12 -0.12 0.03 -0.05 -0.04 1.49 1.31 1fc5A1 ILE 68 HG13 -0.17 -0.02 -0.09 -0.04 1.21 0.88 1fc5A1 ILE 68 HG23 -0.02 -0.00 -0.08 -0.04 0.93 0.78 1fc5A1 ILE 68 HD13 -0.47 0.01 -0.12 -0.04 0.88 0.26 1fc5A1 ALA 69 H -0.01 0.34 -0.12 -0.55 8.40 8.06 1fc5A1 ALA 69 HA 0.00 0.01 0.27 -0.75 4.34 3.86 1fc5A1 ALA 69 HB3 -0.01 0.03 0.05 -0.04 1.41 1.44 1fc5A1 SER 70 H 0.01 0.25 -0.69 -0.55 8.46 7.48 1fc5A1 SER 70 HA 0.00 0.03 0.46 -0.75 4.49 4.22 1fc5A1 SER 70 HB2 0.01 -0.05 0.10 -0.04 3.95 3.96 1fc5A1 SER 70 HB3 0.00 -0.02 0.11 -0.04 3.93 3.99 1fc5A1 GLY 71 H 0.03 0.60 -0.08 -0.55 8.43 8.44 1fc5A1 GLY 71 HA2 0.03 -0.01 0.31 -0.51 4.01 3.84 1fc5A1 GLY 71 HA3 0.02 0.06 0.52 -0.51 4.01 4.10 1fc5A1 GLN 72 H 0.03 -0.02 -0.65 -0.55 8.47 7.28 1fc5A1 GLN 72 HA 0.01 0.15 0.67 -0.75 4.36 4.44 1fc5A1 GLN 72 HB2 0.02 -0.04 -0.03 -0.04 2.15 2.05 1fc5A1 GLN 72 HB3 0.01 0.07 -0.03 -0.04 2.02 2.03 1fc5A1 GLN 72 HG2 0.01 0.01 -0.11 -0.04 2.40 2.26 1fc5A1 GLN 72 HG3 0.01 0.12 -0.10 -0.04 2.39 2.38 1fc5A1 GLN 72 HE21 0.00 -0.06 0.00 -0.04 6.97 6.87 1fc5A1 GLN 72 HE22 0.00 0.04 0.01 -0.04 7.69 7.71 1fc5A1 PRO 73 HA -0.02 0.14 0.05 -0.51 4.44 4.11 1fc5A1 PRO 73 HB2 -0.03 -0.06 -0.36 -0.04 2.28 1.78 1fc5A1 PRO 73 HB3 -0.04 0.03 -0.22 -0.04 2.02 1.75 1fc5A1 PRO 73 HG2 0.00 0.05 0.02 -0.04 2.03 2.06 1fc5A1 PRO 73 HG3 -0.01 0.07 -0.05 -0.04 2.03 2.00 1fc5A1 PRO 73 HD2 0.01 0.04 0.11 -0.04 3.68 3.80 1fc5A1 PRO 73 HD3 -0.00 0.14 0.14 -0.04 3.65 3.88 1fc5A1 LEU 74 H 0.02 0.58 0.27 -0.55 8.37 8.69 1fc5A1 LEU 74 HA 0.06 0.41 1.01 -0.75 4.35 5.08 1fc5A1 LEU 74 HB2 0.21 -0.10 0.11 -0.04 1.64 1.82 1fc5A1 LEU 74 HB3 0.16 -0.05 -0.13 -0.04 1.64 1.58 1fc5A1 LEU 74 HG 0.16 0.14 -0.01 -0.04 1.64 1.90 1fc5A1 LEU 74 HD13 0.22 -0.04 -0.24 -0.04 0.93 0.84 1fc5A1 LEU 74 HD23 0.07 0.00 -0.21 -0.04 0.89 0.72 1fc5A1 PRO 75 HA 0.02 -0.06 0.50 -0.51 4.44 4.40 1fc5A1 PRO 75 HB2 0.04 -0.01 -0.05 -0.04 2.28 2.22 1fc5A1 PRO 75 HB3 0.02 0.26 0.08 -0.04 2.02 2.34 1fc5A1 PRO 75 HG2 0.07 -0.05 0.09 -0.04 2.03 2.10 1fc5A1 PRO 75 HG3 0.04 0.03 0.11 -0.04 2.03 2.16 1fc5A1 PRO 75 HD2 0.06 0.35 0.44 -0.04 3.68 4.49 1fc5A1 PRO 75 HD3 0.03 0.28 0.26 -0.04 3.65 4.18 1fc5A1 VAL 76 H 0.04 0.09 0.11 -0.55 8.24 7.93 1fc5A1 VAL 76 HA 0.06 0.20 0.58 -0.75 4.13 4.22 1fc5A1 VAL 76 HB 0.02 -0.02 0.17 -0.04 2.12 2.25 1fc5A1 VAL 76 HG13 -0.07 -0.04 -0.05 -0.04 0.97 0.78 1fc5A1 VAL 76 HG23 0.17 -0.00 -0.01 -0.04 0.95 1.07 1fc5A1 ALA 77 H 0.03 0.58 0.40 -0.55 8.40 8.86 1fc5A1 ALA 77 HA 0.04 0.04 0.47 -0.75 4.34 4.13 1fc5A1 ALA 77 HB3 0.13 0.02 0.10 -0.04 1.41 1.62 1fc5A1 GLY 78 H -0.29 0.22 0.03 -0.55 8.43 7.85 1fc5A1 GLY 78 HA2 -0.30 0.08 0.35 -0.51 4.01 3.63 1fc5A1 GLY 78 HA3 -1.09 0.04 0.39 -0.51 4.01 2.84 1fc5A1 LYS 79 H -0.39 0.23 0.20 -0.55 8.42 7.90 1fc5A1 LYS 79 HA -0.43 0.31 1.07 -0.75 4.32 4.51 1fc5A1 LYS 79 HB2 -0.24 -0.06 -0.07 -0.04 1.87 1.46 1fc5A1 LYS 79 HB3 -0.34 -0.03 0.05 -0.04 1.79 1.43 1fc5A1 LYS 79 HG2 -1.01 0.02 -0.17 -0.04 1.46 0.25 1fc5A1 LYS 79 HG3 -0.41 0.08 0.05 -0.04 1.46 1.13 1fc5A1 LYS 79 HD2 -0.10 -0.04 -0.03 -0.04 1.69 1.48 1fc5A1 LYS 79 HD3 0.12 -0.04 -0.06 -0.04 1.68 1.65 1fc5A1 LYS 79 HE2 0.16 0.00 -0.10 -0.04 2.99 3.01 1fc5A1 LYS 79 HE3 -0.16 0.03 -0.10 -0.04 2.99 2.72 1fc5A1 SER 80 H -0.48 0.85 0.39 -0.55 8.46 8.67 1fc5A1 SER 80 HA -0.31 0.19 1.05 -0.75 4.49 4.67 1fc5A1 SER 80 HB2 -0.21 -0.07 -0.05 -0.04 3.95 3.58 1fc5A1 SER 80 HB3 -0.25 0.00 0.10 -0.04 3.93 3.74 1fc5A1 PHE 81 H -0.09 0.55 0.13 -0.55 8.34 8.38 1fc5A1 PHE 81 HA -0.03 0.24 0.96 -0.75 4.62 5.03 1fc5A1 PHE 81 HB2 -0.02 -0.09 0.01 -0.04 3.15 3.02 1fc5A1 PHE 81 HB3 -0.02 -0.05 0.08 -0.04 3.06 3.03 1fc5A1 PHE 81 HD2 -0.03 0.08 -0.02 -0.04 7.28 7.27 1fc5A1 PHE 81 HE2 -0.04 0.01 -0.07 -0.04 7.38 7.24 1fc5A1 PHE 81 HZ -0.04 -0.02 -0.08 -0.04 7.32 7.14 1fc5A1 ALA 82 H 0.15 0.23 0.10 -0.55 8.40 8.34 1fc5A1 ALA 82 HA 0.09 0.11 0.29 -0.75 4.34 4.07 1fc5A1 ALA 82 HB3 0.08 0.03 -0.00 -0.04 1.41 1.48 1fc5A1 GLY 83 H 0.11 0.00 -0.20 -0.55 8.43 7.79 1fc5A1 GLY 83 HA2 0.05 0.13 0.51 -0.51 4.01 4.19 1fc5A1 GLY 83 HA3 0.04 -0.03 0.24 -0.51 4.01 3.75 1fc5A1 GLN 84 H 0.16 0.01 -0.51 -0.55 8.47 7.57 1fc5A1 GLN 84 HA 0.06 0.20 0.65 -0.75 4.36 4.52 1fc5A1 GLN 84 HB2 0.17 -0.13 0.02 -0.04 2.15 2.18 1fc5A1 GLN 84 HB3 0.12 0.03 0.05 -0.04 2.02 2.19 1fc5A1 GLN 84 HG2 0.05 0.15 0.11 -0.04 2.40 2.67 1fc5A1 GLN 84 HG3 0.04 -0.07 -0.30 -0.04 2.39 2.02 1fc5A1 GLN 84 HE21 0.03 -0.06 -0.00 -0.04 6.97 6.91 1fc5A1 GLN 84 HE22 0.04 0.05 0.02 -0.04 7.69 7.75 1fc5A1 PRO 85 HA -0.09 -0.04 0.56 -0.51 4.44 4.36 1fc5A1 PRO 85 HB2 -0.35 0.08 -0.05 -0.04 2.28 1.92 1fc5A1 PRO 85 HB3 -0.14 0.07 0.08 -0.04 2.02 1.98 1fc5A1 PRO 85 HG2 -0.03 -0.03 -0.01 -0.04 2.03 1.92 1fc5A1 PRO 85 HG3 -0.06 0.04 0.02 -0.04 2.03 1.99 1fc5A1 PRO 85 HD2 0.03 0.08 0.07 -0.04 3.68 3.82 1fc5A1 PRO 85 HD3 -0.00 0.25 -0.07 -0.04 3.65 3.79 1fc5A1 TYR 86 H -0.12 0.10 0.15 -0.55 8.29 7.87 1fc5A1 TYR 86 HA -0.15 0.09 0.63 -0.75 4.56 4.38 1fc5A1 TYR 86 HB2 -0.24 0.15 -0.18 -0.04 3.06 2.75 1fc5A1 TYR 86 HB3 -0.26 -0.00 -0.03 -0.04 2.98 2.64 1fc5A1 TYR 86 HD2 -0.15 0.07 -0.09 -0.04 7.15 6.93 1fc5A1 TYR 86 HE2 -0.02 0.10 -0.21 -0.04 6.85 6.68 1fc5A1 HIS 87 H -0.51 0.08 0.17 -0.55 8.41 7.60 1fc5A1 HIS 87 HA -0.24 0.19 0.72 -0.75 4.63 4.54 1fc5A1 HIS 87 HB2 -0.16 -0.01 0.01 -0.04 3.26 3.06 1fc5A1 HIS 87 HB3 -0.13 -0.03 0.16 -0.04 3.20 3.15 1fc5A1 HIS 87 HD2 -0.06 0.03 -0.14 -0.04 6.97 6.75 1fc5A1 HIS 87 HE1 -0.08 -0.02 -0.05 -0.04 7.75 7.56 1fc5A1 GLY 88 H -1.96 -0.02 0.02 -0.55 8.43 5.92 1fc5A1 GLY 88 HA2 -0.21 0.10 0.50 -0.51 4.01 3.89 1fc5A1 GLY 88 HA3 -0.45 0.04 0.36 -0.51 4.01 3.46 1fc5A1 GLU 89 H 0.09 0.09 0.14 -0.55 8.60 8.37 1fc5A1 GLU 89 HA 0.12 0.09 0.50 -0.75 4.29 4.24 1fc5A1 GLU 89 HB2 0.14 0.04 0.02 -0.04 2.09 2.25 1fc5A1 GLU 89 HB3 0.10 -0.02 0.05 -0.04 1.99 2.08 1fc5A1 GLU 89 HG2 0.05 0.01 0.04 -0.04 2.34 2.40 1fc5A1 GLU 89 HG3 0.08 -0.01 0.13 -0.04 2.34 2.50 1fc5A1 TRP 90 H 0.28 0.12 -0.02 -0.55 7.97 7.80 1fc5A1 TRP 90 HA 0.11 0.21 0.72 -0.75 4.62 4.91 1fc5A1 TRP 90 HB2 0.17 0.03 -0.20 -0.04 3.23 3.19 1fc5A1 TRP 90 HB3 0.07 -0.08 0.09 -0.04 3.23 3.27 1fc5A1 TRP 90 HD1 0.04 0.08 -0.19 -0.04 7.22 7.11 1fc5A1 TRP 90 HE1 0.03 0.39 -0.33 -0.04 10.20 10.24 1fc5A1 TRP 90 HE3 0.04 -0.05 -0.12 -0.04 7.59 7.43 1fc5A1 TRP 90 HZ2 0.01 -0.03 -0.09 -0.04 7.44 7.28 1fc5A1 TRP 90 HZ3 0.02 -0.12 -0.45 -0.04 7.13 6.54 1fc5A1 TRP 90 HH2 0.00 -0.02 -0.42 -0.04 7.19 6.71 1fc5A1 PRO 91 HA -0.02 -0.02 0.43 -0.51 4.44 4.32 1fc5A1 PRO 91 HB2 0.03 0.13 0.02 -0.04 2.28 2.42 1fc5A1 PRO 91 HB3 0.05 -0.04 0.07 -0.04 2.02 2.06 1fc5A1 PRO 91 HG2 0.12 0.10 -0.07 -0.04 2.03 2.14 1fc5A1 PRO 91 HG3 0.10 0.03 -0.02 -0.04 2.03 2.10 1fc5A1 PRO 91 HD2 0.29 0.20 -0.05 -0.04 3.68 4.07 1fc5A1 PRO 91 HD3 0.17 0.02 -0.26 -0.04 3.65 3.54 1fc5A1 ALA 92 H -0.08 0.04 0.15 -0.55 8.40 7.97 1fc5A1 ALA 92 HA -0.22 0.03 0.46 -0.75 4.34 3.85 1fc5A1 ALA 92 HB3 -0.08 0.00 0.10 -0.04 1.41 1.39 1fc5A1 GLY 93 H -0.09 0.05 0.17 -0.55 8.43 8.02 1fc5A1 GLY 93 HA2 0.00 -0.01 0.35 -0.51 4.01 3.85 1fc5A1 GLY 93 HA3 0.01 0.08 0.46 -0.51 4.01 4.05 1fc5A1 THR 94 H 0.04 0.14 -0.12 -0.55 8.28 7.80 1fc5A1 THR 94 HA 0.15 0.20 0.96 -0.75 4.39 4.95 1fc5A1 THR 94 HB 0.21 0.10 0.16 -0.04 4.32 4.74 1fc5A1 THR 94 HG23 0.10 0.02 -0.27 -0.04 1.22 1.03 1fc5A1 CYS 95 H 0.21 0.53 0.15 -0.55 8.50 8.84 1fc5A1 CYS 95 HA 0.43 0.21 0.98 -0.75 4.58 5.45 1fc5A1 CYS 95 HB2 0.28 0.05 0.05 -0.04 2.97 3.32 1fc5A1 CYS 95 HB3 0.29 -0.03 -0.15 -0.04 2.97 3.05 1fc5A1 ILE 96 H -0.04 0.49 0.30 -0.55 8.25 8.45 1fc5A1 ILE 96 HA -0.26 0.18 1.06 -0.75 4.18 4.40 1fc5A1 ILE 96 HB -0.60 -0.04 0.06 -0.04 1.89 1.27 1fc5A1 ILE 96 HG12 -0.66 0.00 -0.15 -0.04 1.49 0.64 1fc5A1 ILE 96 HG13 -0.87 -0.04 -0.64 -0.04 1.21 -0.38 1fc5A1 ILE 96 HG23 -0.46 0.01 -0.34 -0.04 0.93 0.10 1fc5A1 ILE 96 HD13 -1.21 -0.00 -0.19 -0.04 0.88 -0.56 1fc5A1 ARG 97 H -0.25 0.52 0.40 -0.55 8.46 8.58 1fc5A1 ARG 97 HA -0.54 0.21 0.79 -0.75 4.34 4.04 1fc5A1 ARG 97 HB2 -0.25 -0.03 0.16 -0.04 1.90 1.74 1fc5A1 ARG 97 HB3 -0.30 -0.11 0.24 -0.04 1.80 1.59 1fc5A1 ARG 97 HG2 -0.24 -0.06 0.01 -0.04 1.67 1.35 1fc5A1 ARG 97 HG3 -0.31 0.01 -0.05 -0.04 1.67 1.27 1fc5A1 ARG 97 HD2 -0.94 0.52 0.25 -0.04 3.22 3.00 1fc5A1 ARG 97 HD3 -1.31 -0.11 0.01 -0.04 3.22 1.76 1fc5A1 ILE 98 H -0.31 0.74 0.34 -0.55 8.25 8.48 1fc5A1 ILE 98 HA -0.29 0.26 0.93 -0.75 4.18 4.34 1fc5A1 ILE 98 HB -0.20 -0.04 -0.19 -0.04 1.89 1.41 1fc5A1 ILE 98 HG12 -0.09 -0.00 -0.04 -0.04 1.49 1.32 1fc5A1 ILE 98 HG13 -0.16 0.06 -0.01 -0.04 1.21 1.06 1fc5A1 ILE 98 HG23 -0.09 0.01 -0.21 -0.04 0.93 0.59 1fc5A1 ILE 98 HD13 -0.09 0.01 -0.23 -0.04 0.88 0.54 1fc5A1 THR 100 HA 0.01 -0.05 0.01 -0.75 4.39 3.60 1fc5A1 THR 100 HB 0.02 -0.09 0.07 -0.04 4.32 4.28 1fc5A1 THR 100 HG23 0.01 -0.00 -0.17 -0.04 1.22 1.03 1fc5A1 GLY 101 H 0.02 0.72 0.16 -0.55 8.43 8.79 1fc5A1 GLY 101 HA2 0.03 0.01 0.35 -0.51 4.01 3.89 1fc5A1 GLY 101 HA3 0.05 0.11 0.68 -0.51 4.01 4.34 1fc5A1 ALA 102 H 0.04 0.13 -0.42 -0.55 8.40 7.59 1fc5A1 ALA 102 HA 0.08 0.10 0.24 -0.75 4.34 4.01 1fc5A1 ALA 102 HB3 -0.03 -0.04 -0.20 -0.04 1.41 1.11 1fc5A1 PRO 103 HA 0.24 0.17 0.61 -0.51 4.44 4.95 1fc5A1 PRO 103 HB2 -0.16 0.09 -0.01 -0.04 2.28 2.16 1fc5A1 PRO 103 HB3 -0.55 -0.00 0.04 -0.04 2.02 1.46 1fc5A1 PRO 103 HG2 -0.16 -0.04 0.00 -0.04 2.03 1.79 1fc5A1 PRO 103 HG3 -0.32 0.03 0.04 -0.04 2.03 1.74 1fc5A1 PRO 103 HD2 -0.04 0.04 0.09 -0.04 3.68 3.73 1fc5A1 PRO 103 HD3 0.02 0.20 0.16 -0.04 3.65 3.98 1fc5A1 VAL 104 H 0.08 0.53 0.18 -0.55 8.24 8.49 1fc5A1 VAL 104 HA -0.05 0.06 0.45 -0.75 4.13 3.83 1fc5A1 VAL 104 HB 0.02 -0.04 -0.07 -0.04 2.12 1.99 1fc5A1 VAL 104 HG13 0.03 -0.02 -0.32 -0.04 0.97 0.62 1fc5A1 VAL 104 HG23 0.06 0.06 -0.09 -0.04 0.95 0.94 1fc5A1 PRO 105 HA -0.05 0.14 0.38 -0.51 4.44 4.40 1fc5A1 PRO 105 HB2 -0.52 -0.07 -0.16 -0.04 2.28 1.49 1fc5A1 PRO 105 HB3 -0.32 0.03 -0.01 -0.04 2.02 1.68 1fc5A1 PRO 105 HG2 -0.61 -0.00 -0.04 -0.04 2.03 1.33 1fc5A1 PRO 105 HG3 -0.29 0.09 -0.03 -0.04 2.03 1.75 1fc5A1 PRO 105 HD2 -0.16 0.00 0.09 -0.04 3.68 3.57 1fc5A1 PRO 105 HD3 -0.15 0.20 0.16 -0.04 3.65 3.81 1fc5A1 GLU 106 H 0.14 0.14 0.06 -0.55 8.60 8.40 1fc5A1 GLU 106 HA 0.13 0.07 0.33 -0.75 4.29 4.07 1fc5A1 GLU 106 HB2 0.40 -0.21 0.12 -0.04 2.09 2.36 1fc5A1 GLU 106 HB3 0.16 0.03 0.08 -0.04 1.99 2.22 1fc5A1 GLU 106 HG2 0.20 0.01 0.02 -0.04 2.34 2.53 1fc5A1 GLU 106 HG3 0.14 0.06 0.08 -0.04 2.34 2.57 1fc5A1 GLY 107 H 0.36 0.05 -0.08 -0.55 8.43 8.23 1fc5A1 GLY 107 HA2 0.12 0.24 0.69 -0.51 4.01 4.55 1fc5A1 GLY 107 HA3 0.06 -0.08 0.33 -0.51 4.01 3.81 1fc5A1 CYS 108 H 0.29 0.62 -0.47 -0.55 8.50 8.40 1fc5A1 CYS 108 HA 0.45 -0.01 0.30 -0.75 4.58 4.57 1fc5A1 CYS 108 HB2 0.09 -0.05 -0.04 -0.04 2.97 2.92 1fc5A1 CYS 108 HB3 0.10 0.13 -0.04 -0.04 2.97 3.11 1fc5A1 GLU 109 H 0.13 0.46 0.40 -0.55 8.60 9.04 1fc5A1 GLU 109 HA 0.05 0.26 1.02 -0.75 4.29 4.87 1fc5A1 GLU 109 HB2 0.03 -0.09 0.19 -0.04 2.09 2.18 1fc5A1 GLU 109 HB3 0.02 -0.08 0.18 -0.04 1.99 2.07 1fc5A1 GLU 109 HG2 0.03 0.12 -0.03 -0.04 2.34 2.42 1fc5A1 GLU 109 HG3 0.04 0.20 -0.07 -0.04 2.34 2.47 1fc5A1 ALA 110 H 0.05 0.23 0.27 -0.55 8.40 8.41 1fc5A1 ALA 110 HA 0.01 0.13 0.38 -0.75 4.34 4.11 1fc5A1 ALA 110 HB3 -0.01 0.03 -0.09 -0.04 1.41 1.29 1fc5A1 VAL 111 H 0.01 0.67 0.17 -0.55 8.24 8.54 1fc5A1 VAL 111 HA 0.02 0.21 1.01 -0.75 4.13 4.60 1fc5A1 VAL 111 HB 0.01 0.13 0.09 -0.04 2.12 2.31 1fc5A1 VAL 111 HG13 0.02 -0.03 -0.25 -0.04 0.97 0.68 1fc5A1 VAL 111 HG23 -0.00 -0.05 -0.21 -0.04 0.95 0.65 1fc5A1 VAL 112 H 0.09 0.63 0.21 -0.55 8.24 8.63 1fc5A1 VAL 112 HA 0.07 0.25 0.81 -0.75 4.13 4.50 1fc5A1 VAL 112 HB 0.27 -0.02 0.03 -0.04 2.12 2.37 1fc5A1 VAL 112 HG13 0.25 0.02 -0.06 -0.04 0.97 1.13 1fc5A1 VAL 112 HG23 -0.14 -0.01 -0.24 -0.04 0.95 0.53 1fc5A1 GLN 114 HA 0.24 -0.06 0.07 -0.75 4.36 3.86 1fc5A1 GLN 114 HB2 0.08 -0.05 -0.02 -0.04 2.15 2.12 1fc5A1 GLN 114 HB3 0.06 0.00 0.03 -0.04 2.02 2.08 1fc5A1 GLN 114 HG2 0.04 0.24 0.06 -0.04 2.40 2.71 1fc5A1 GLN 114 HG3 0.04 -0.10 0.03 -0.04 2.39 2.33 1fc5A1 GLN 114 HE21 0.01 -0.04 -0.00 -0.04 6.97 6.89 1fc5A1 GLN 114 HE22 0.01 0.14 0.02 -0.04 7.69 7.83 1fc5A1 GLU 115 H 0.06 0.25 0.20 -0.55 8.60 8.57 1fc5A1 GLU 115 HA 0.03 0.09 0.53 -0.75 4.29 4.18 1fc5A1 GLU 115 HB2 0.04 0.02 0.17 -0.04 2.09 2.28 1fc5A1 GLU 115 HB3 0.03 -0.02 0.05 -0.04 1.99 2.00 1fc5A1 GLU 115 HG2 0.02 -0.02 0.07 -0.04 2.34 2.38 1fc5A1 GLU 115 HG3 0.03 0.02 0.06 -0.04 2.34 2.41 1fc5A1 GLN 116 H 0.07 0.13 -0.15 -0.55 8.47 7.98 1fc5A1 GLN 116 HA 0.03 0.20 0.86 -0.75 4.36 4.70 1fc5A1 GLN 116 HB2 0.10 -0.07 0.15 -0.04 2.15 2.29 1fc5A1 GLN 116 HB3 0.06 0.31 0.24 -0.04 2.02 2.60 1fc5A1 GLN 116 HG2 0.04 0.01 -0.08 -0.04 2.40 2.32 1fc5A1 GLN 116 HG3 0.06 -0.05 0.05 -0.04 2.39 2.41 1fc5A1 GLN 116 HE21 0.03 -0.04 0.02 -0.04 6.97 6.94 1fc5A1 GLN 116 HE22 0.03 -0.02 0.01 -0.04 7.69 7.67 1fc5A1 THR 117 H -0.01 0.47 -0.44 -0.55 8.28 7.75 1fc5A1 THR 117 HA -0.17 0.08 0.86 -0.75 4.39 4.41 1fc5A1 THR 117 HB -0.64 -0.00 -0.08 -0.04 4.32 3.56 1fc5A1 THR 117 HG23 0.09 -0.02 -0.48 -0.04 1.22 0.76 1fc5A1 GLU 118 H -0.27 0.74 0.31 -0.55 8.60 8.83 1fc5A1 GLU 118 HA -0.09 0.15 0.94 -0.75 4.29 4.53 1fc5A1 GLU 118 HB2 -0.06 0.02 -0.08 -0.04 2.09 1.92 1fc5A1 GLU 118 HB3 -0.10 -0.02 0.07 -0.04 1.99 1.90 1fc5A1 GLU 118 HG2 -0.07 0.12 -0.27 -0.04 2.34 2.08 1fc5A1 GLU 118 HG3 -0.05 -0.02 0.04 -0.04 2.34 2.26 1fc5A1 GLN 119 H -0.08 0.15 0.08 -0.55 8.47 8.08 1fc5A1 GLN 119 HA -0.13 0.15 0.44 -0.75 4.36 4.07 1fc5A1 GLN 119 HB2 -0.04 0.02 0.06 -0.04 2.15 2.14 1fc5A1 GLN 119 HB3 -0.04 -0.01 0.12 -0.04 2.02 2.05 1fc5A1 GLN 119 HG2 -0.02 -0.03 0.01 -0.04 2.40 2.32 1fc5A1 GLN 119 HG3 -0.03 0.05 -0.00 -0.04 2.39 2.36 1fc5A1 GLN 119 HE21 -0.03 -0.07 -0.06 -0.04 6.97 6.77 1fc5A1 GLN 119 HE22 -0.04 0.01 0.06 -0.04 7.69 7.68 1fc5A1 ASP 121 HA -0.01 -0.11 0.22 -0.75 4.63 3.97 1fc5A1 ASP 121 HB2 -0.01 0.00 0.14 -0.04 2.71 2.80 1fc5A1 ASP 121 HB3 -0.01 0.01 0.13 -0.04 2.70 2.79 1fc5A1 ASN 122 H -0.01 0.04 0.11 -0.55 8.53 8.13 1fc5A1 ASN 122 HA -0.00 -0.06 0.32 -0.75 4.76 4.26 1fc5A1 ASN 122 HB2 -0.00 0.37 0.33 -0.04 2.88 3.53 1fc5A1 ASN 122 HB3 0.00 -0.05 0.22 -0.04 2.79 2.93 1fc5A1 ASN 122 HD21 0.00 -0.07 -0.11 -0.04 7.03 6.81 1fc5A1 ASN 122 HD22 -0.00 0.19 -0.17 -0.04 7.74 7.71 1fc5A1 GLY 123 H -0.03 0.16 -0.02 -0.55 8.43 7.99 1fc5A1 GLY 123 HA2 -0.02 -0.03 -0.03 -0.51 4.01 3.42 1fc5A1 GLY 123 HA3 -0.02 0.18 -0.01 -0.51 4.01 3.65 1fc5A1 VAL 124 H -0.09 0.45 0.00 -0.55 8.24 8.06 1fc5A1 VAL 124 HA -0.26 0.26 1.08 -0.75 4.13 4.45 1fc5A1 VAL 124 HB -0.40 0.06 0.07 -0.04 2.12 1.80 1fc5A1 VAL 124 HG13 -1.18 -0.01 -0.29 -0.04 0.97 -0.54 1fc5A1 VAL 124 HG23 -0.32 -0.03 -0.16 -0.04 0.95 0.40 1fc5A1 ARG 125 H -0.32 0.66 0.31 -0.55 8.46 8.55 1fc5A1 ARG 125 HA -0.12 0.17 0.82 -0.75 4.34 4.45 1fc5A1 ARG 125 HB2 -0.09 0.01 -0.08 -0.04 1.90 1.70 1fc5A1 ARG 125 HB3 -0.12 -0.04 0.01 -0.04 1.80 1.61 1fc5A1 ARG 125 HG2 -0.01 -0.00 -0.14 -0.04 1.67 1.49 1fc5A1 ARG 125 HG3 0.00 0.07 -0.13 -0.04 1.67 1.58 1fc5A1 ARG 125 HD2 -0.00 0.15 -0.02 -0.04 3.22 3.31 1fc5A1 ARG 125 HD3 -0.03 -0.02 -0.07 -0.04 3.22 3.06 1fc5A1 PHE 126 H 0.20 0.20 0.08 -0.55 8.34 8.26 1fc5A1 PHE 126 HA -0.05 0.18 1.12 -0.75 4.62 5.13 1fc5A1 PHE 126 HB2 -0.02 -0.04 0.06 -0.04 3.15 3.11 1fc5A1 PHE 126 HB3 -0.02 0.13 -0.06 -0.04 3.06 3.07 1fc5A1 PHE 126 HD2 -0.04 0.06 -0.09 -0.04 7.28 7.17 1fc5A1 PHE 126 HE2 -0.06 0.03 -0.14 -0.04 7.38 7.17 1fc5A1 PHE 126 HZ -0.11 -0.03 -0.19 -0.04 7.32 6.95 1fc5A1 THR 127 H 0.05 0.38 0.01 -0.55 8.28 8.17 1fc5A1 THR 127 HA 0.04 0.07 0.76 -0.75 4.39 4.52 1fc5A1 THR 127 HB 0.02 0.01 0.05 -0.04 4.32 4.36 1fc5A1 THR 127 HG23 0.01 -0.01 -0.10 -0.04 1.22 1.08 1fc5A1 ALA 128 H 0.04 0.11 0.08 -0.55 8.40 8.08 1fc5A1 ALA 128 HA 0.03 -0.07 0.34 -0.75 4.34 3.88 1fc5A1 ALA 128 HB3 0.04 0.01 0.21 -0.04 1.41 1.62 1fc5A1 GLU 129 H 0.02 0.05 0.11 -0.55 8.60 8.23 1fc5A1 GLU 129 HA 0.01 0.14 0.49 -0.75 4.29 4.18 1fc5A1 GLU 129 HB2 0.01 -0.04 0.10 -0.04 2.09 2.13 1fc5A1 GLU 129 HB3 0.01 0.01 -0.12 -0.04 1.99 1.85 1fc5A1 GLU 129 HG2 0.01 0.00 0.00 -0.04 2.34 2.31 1fc5A1 GLU 129 HG3 0.00 0.00 -0.00 -0.04 2.34 2.30 1fc5A1 VAL 130 H -0.01 0.17 0.11 -0.55 8.24 7.96 1fc5A1 VAL 130 HA -0.01 0.19 0.86 -0.75 4.13 4.41 1fc5A1 VAL 130 HB -0.06 -0.07 0.02 -0.04 2.12 1.96 1fc5A1 VAL 130 HG13 -0.06 0.02 -0.24 -0.04 0.97 0.64 1fc5A1 VAL 130 HG23 -0.08 0.03 -0.22 -0.04 0.95 0.65 1fc5A1 ARG 131 H -0.00 0.20 0.10 -0.55 8.46 8.20 1fc5A1 ARG 131 HA -0.01 0.13 0.86 -0.75 4.34 4.57 1fc5A1 ARG 131 HB2 0.00 -0.00 0.06 -0.04 1.90 1.92 1fc5A1 ARG 131 HB3 0.00 0.10 0.04 -0.04 1.80 1.89 1fc5A1 ARG 131 HG2 0.00 0.01 -0.08 -0.04 1.67 1.55 1fc5A1 ARG 131 HG3 0.00 -0.02 -0.16 -0.04 1.67 1.45 1fc5A1 ARG 131 HD2 0.00 0.02 -0.02 -0.04 3.22 3.19 1fc5A1 ARG 131 HD3 0.00 0.01 -0.01 -0.04 3.22 3.19 1fc5A1 SER 132 H -0.00 0.09 0.16 -0.55 8.46 8.16 1fc5A1 SER 132 HA 0.00 0.11 0.48 -0.75 4.49 4.33 1fc5A1 SER 132 HB2 0.00 -0.03 0.17 -0.04 3.95 4.04 1fc5A1 SER 132 HB3 0.00 -0.04 0.18 -0.04 3.93 4.03 1fc5A1 GLY 133 H 0.01 0.69 0.41 -0.55 8.43 9.00 1fc5A1 GLY 133 HA2 0.01 0.03 0.33 -0.51 4.01 3.87 1fc5A1 GLY 133 HA3 0.01 0.06 0.46 -0.51 4.01 4.03 1fc5A1 GLN 134 H 0.00 0.41 -0.13 -0.55 8.47 8.20 1fc5A1 GLN 134 HA 0.01 0.01 0.46 -0.75 4.36 4.09 1fc5A1 GLN 134 HB2 0.01 -0.00 0.10 -0.04 2.15 2.22 1fc5A1 GLN 134 HB3 0.01 -0.01 0.12 -0.04 2.02 2.09 1fc5A1 GLN 134 HG2 -0.00 -0.04 0.12 -0.04 2.40 2.44 1fc5A1 GLN 134 HG3 0.01 0.32 -0.00 -0.04 2.39 2.67 1fc5A1 GLN 134 HE21 0.02 0.05 -0.00 -0.04 6.97 7.00 1fc5A1 GLN 134 HE22 0.02 0.21 0.03 -0.04 7.69 7.92 1fc5A1 ASN 135 H 0.01 0.12 0.22 -0.55 8.53 8.33 1fc5A1 ASN 135 HA 0.01 0.01 0.35 -0.75 4.76 4.37 1fc5A1 ASN 135 HB2 0.02 0.24 0.02 -0.04 2.88 3.12 1fc5A1 ASN 135 HB3 0.01 -0.11 0.20 -0.04 2.79 2.86 1fc5A1 ASN 135 HD21 0.03 -0.06 -0.02 -0.04 7.03 6.94 1fc5A1 ASN 135 HD22 0.03 0.33 -0.09 -0.04 7.74 7.97 1fc5A1 ILE 136 H 0.01 0.31 -0.16 -0.55 8.25 7.86 1fc5A1 ILE 136 HA 0.01 0.24 0.93 -0.75 4.18 4.61 1fc5A1 ILE 136 HB 0.02 0.09 -0.06 -0.04 1.89 1.89 1fc5A1 ILE 136 HG12 0.02 0.06 -0.29 -0.04 1.49 1.23 1fc5A1 ILE 136 HG13 0.01 0.15 -0.63 -0.04 1.21 0.71 1fc5A1 ILE 136 HG23 0.03 -0.01 -0.33 -0.04 0.93 0.58 1fc5A1 ILE 136 HD13 0.03 -0.04 -0.38 -0.04 0.88 0.44 1fc5A1 ARG 137 H 0.00 0.46 0.10 -0.55 8.46 8.47 1fc5A1 ARG 137 HA -0.01 0.06 0.68 -0.75 4.34 4.32 1fc5A1 ARG 137 HB2 -0.03 0.03 0.06 -0.04 1.90 1.92 1fc5A1 ARG 137 HB3 -0.03 0.03 -0.00 -0.04 1.80 1.75 1fc5A1 ARG 137 HG2 -0.01 0.01 -0.06 -0.04 1.67 1.57 1fc5A1 ARG 137 HG3 -0.01 -0.07 -0.16 -0.04 1.67 1.40 1fc5A1 ARG 137 HD2 -0.02 0.00 -0.04 -0.04 3.22 3.12 1fc5A1 ARG 137 HD3 -0.01 0.00 -0.05 -0.04 3.22 3.12 1fc5A1 ARG 138 H -0.01 0.14 0.15 -0.55 8.46 8.19 1fc5A1 ARG 138 HA 0.01 0.08 0.58 -0.75 4.34 4.26 1fc5A1 ARG 138 HB2 -0.00 -0.01 0.01 -0.04 1.90 1.85 1fc5A1 ARG 138 HB3 0.01 0.04 -0.01 -0.04 1.80 1.80 1fc5A1 ARG 138 HG2 0.01 0.10 0.02 -0.04 1.67 1.75 1fc5A1 ARG 138 HG3 0.01 0.01 -0.00 -0.04 1.67 1.64 1fc5A1 ARG 138 HD2 0.02 -0.02 -0.03 -0.04 3.22 3.15 1fc5A1 ARG 138 HD3 0.02 -0.01 -0.26 -0.04 3.22 2.93 1fc5A1 ARG 139 H 0.02 0.08 0.01 -0.55 8.46 8.01 1fc5A1 ARG 139 HA -0.04 0.14 0.18 -0.75 4.34 3.87 1fc5A1 ARG 139 HB2 0.04 -0.12 -0.13 -0.04 1.90 1.65 1fc5A1 ARG 139 HB3 0.03 -0.04 0.08 -0.04 1.80 1.82 1fc5A1 ARG 139 HG2 0.01 -0.04 -0.32 -0.04 1.67 1.29 1fc5A1 ARG 139 HG3 0.01 0.16 -0.19 -0.04 1.67 1.62 1fc5A1 ARG 139 HD2 0.08 0.17 -0.09 -0.04 3.22 3.33 1fc5A1 ARG 139 HD3 0.05 -0.07 -0.03 -0.04 3.22 3.13 1fc5A1 GLY 140 H -0.04 0.32 -0.13 -0.55 8.43 8.04 1fc5A1 GLY 140 HA2 -0.02 0.07 0.28 -0.51 4.01 3.82 1fc5A1 GLY 140 HA3 -0.01 0.08 0.47 -0.51 4.01 4.04 1fc5A1 GLU 141 H -0.02 0.43 -0.30 -0.55 8.60 8.16 1fc5A1 GLU 141 HA -0.01 0.05 0.29 -0.75 4.29 3.86 1fc5A1 GLU 141 HB2 -0.01 -0.03 0.07 -0.04 2.09 2.08 1fc5A1 GLU 141 HB3 -0.01 -0.06 0.04 -0.04 1.99 1.91 1fc5A1 GLU 141 HG2 -0.03 0.42 0.15 -0.04 2.34 2.84 1fc5A1 GLU 141 HG3 -0.02 0.02 -0.07 -0.04 2.34 2.22 1fc5A1 ASP 142 H -0.03 0.27 -0.08 -0.55 8.40 8.01 1fc5A1 ASP 142 HA -0.03 0.13 0.86 -0.75 4.63 4.84 1fc5A1 ASP 142 HB2 -0.04 0.17 -0.01 -0.04 2.71 2.79 1fc5A1 ASP 142 HB3 -0.03 -0.04 -0.04 -0.04 2.70 2.55 1fc5A1 ILE 143 H -0.04 0.38 0.13 -0.55 8.25 8.18 1fc5A1 ILE 143 HA -0.05 0.14 0.76 -0.75 4.18 4.28 1fc5A1 ILE 143 HB -0.04 -0.10 0.01 -0.04 1.89 1.72 1fc5A1 ILE 143 HG12 -0.08 0.08 -0.01 -0.04 1.49 1.44 1fc5A1 ILE 143 HG13 -0.05 -0.06 -0.73 -0.04 1.21 0.33 1fc5A1 ILE 143 HG23 -0.06 0.00 -0.19 -0.04 0.93 0.65 1fc5A1 ILE 143 HD13 -0.07 -0.02 -0.10 -0.04 0.88 0.65 1fc5A1 SER 144 H -0.04 0.16 0.11 -0.55 8.46 8.14 1fc5A1 SER 144 HA -0.02 0.09 0.84 -0.75 4.49 4.64 1fc5A1 SER 144 HB2 -0.02 0.05 0.01 -0.04 3.95 3.95 1fc5A1 SER 144 HB3 -0.02 -0.05 0.04 -0.04 3.93 3.86 1fc5A1 ALA 145 H -0.01 0.06 0.04 -0.55 8.40 7.94 1fc5A1 ALA 145 HA -0.01 0.16 0.21 -0.75 4.34 3.94 1fc5A1 ALA 145 HB3 -0.00 -0.02 -0.23 -0.04 1.41 1.12 1fc5A1 GLY 146 H -0.01 0.72 0.26 -0.55 8.43 8.85 1fc5A1 GLY 146 HA2 -0.01 -0.01 0.28 -0.51 4.01 3.77 1fc5A1 GLY 146 HA3 -0.01 0.09 0.63 -0.51 4.01 4.21 1fc5A1 ALA 147 H -0.03 0.42 -0.12 -0.55 8.40 8.12 1fc5A1 ALA 147 HA -0.02 0.11 0.74 -0.75 4.34 4.41 1fc5A1 ALA 147 HB3 -0.04 0.03 0.03 -0.04 1.41 1.39 1fc5A1 VAL 148 H -0.03 0.12 0.14 -0.55 8.24 7.92 1fc5A1 VAL 148 HA -0.04 0.10 0.56 -0.75 4.13 4.00 1fc5A1 VAL 148 HB -0.03 0.01 0.07 -0.04 2.12 2.13 1fc5A1 VAL 148 HG13 -0.01 -0.01 -0.27 -0.04 0.97 0.63 1fc5A1 VAL 148 HG23 -0.01 0.00 -0.02 -0.04 0.95 0.88 1fc5A1 VAL 149 H -0.09 0.62 0.37 -0.55 8.24 8.59 1fc5A1 VAL 149 HA -0.28 0.16 0.80 -0.75 4.13 4.05 1fc5A1 VAL 149 HB -0.31 -0.04 0.13 -0.04 2.12 1.86 1fc5A1 VAL 149 HG13 -0.69 -0.00 -0.06 -0.04 0.97 0.17 1fc5A1 VAL 149 HG23 -0.12 0.02 -0.02 -0.04 0.95 0.79 1fc5A1 PHE 150 H -0.04 0.21 0.23 -0.55 8.34 8.18 1fc5A1 PHE 150 HA -0.01 0.26 0.91 -0.75 4.62 5.03 1fc5A1 PHE 150 HB2 -0.01 -0.07 0.12 -0.04 3.15 3.15 1fc5A1 PHE 150 HB3 -0.02 0.08 -0.01 -0.04 3.06 3.08 1fc5A1 PHE 150 HD2 -0.01 0.02 -0.00 -0.04 7.28 7.24 1fc5A1 PHE 150 HE2 -0.01 0.00 -0.04 -0.04 7.38 7.30 1fc5A1 PHE 150 HZ -0.01 0.02 0.04 -0.04 7.32 7.33 1fc5A1 PRO 151 HA 0.04 -0.04 0.49 -0.51 4.44 4.42 1fc5A1 PRO 151 HB2 0.03 0.15 0.00 -0.04 2.28 2.42 1fc5A1 PRO 151 HB3 0.03 -0.01 0.04 -0.04 2.02 2.04 1fc5A1 PRO 151 HG2 0.06 0.05 -0.04 -0.04 2.03 2.06 1fc5A1 PRO 151 HG3 0.05 0.04 0.02 -0.04 2.03 2.09 1fc5A1 PRO 151 HD2 0.19 0.07 0.19 -0.04 3.68 4.10 1fc5A1 PRO 151 HD3 0.07 0.20 0.07 -0.04 3.65 3.95 1fc5A1 ALA 152 H 0.03 0.01 0.03 -0.55 8.40 7.92 1fc5A1 ALA 152 HA 0.02 0.09 0.13 -0.75 4.34 3.82 1fc5A1 ALA 152 HB3 0.01 -0.01 -0.14 -0.04 1.41 1.24 1fc5A1 GLY 153 H 0.00 0.65 0.21 -0.55 8.43 8.74 1fc5A1 GLY 153 HA2 -0.01 0.23 0.31 -0.51 4.01 4.03 1fc5A1 GLY 153 HA3 -0.00 0.10 0.71 -0.51 4.01 4.31 1fc5A1 THR 154 H -0.00 0.22 -0.11 -0.55 8.28 7.84 1fc5A1 THR 154 HA -0.03 0.02 0.56 -0.75 4.39 4.19 1fc5A1 THR 154 HB -0.03 -0.04 0.06 -0.04 4.32 4.26 1fc5A1 THR 154 HG23 -0.15 -0.03 -0.25 -0.04 1.22 0.75 1fc5A1 ARG 155 H -0.07 0.11 0.18 -0.55 8.46 8.13 1fc5A1 ARG 155 HA -0.10 0.26 0.57 -0.75 4.34 4.32 1fc5A1 ARG 155 HB2 -0.07 0.06 0.06 -0.04 1.90 1.92 1fc5A1 ARG 155 HB3 -0.09 -0.10 0.14 -0.04 1.80 1.71 1fc5A1 ARG 155 HG2 -0.17 -0.13 -0.24 -0.04 1.67 1.10 1fc5A1 ARG 155 HG3 -0.11 0.19 -0.15 -0.04 1.67 1.56 1fc5A1 ARG 155 HD2 -0.05 0.08 -0.00 -0.04 3.22 3.20 1fc5A1 ARG 155 HD3 -0.06 -0.10 -0.01 -0.04 3.22 3.02 1fc5A1 LEU 156 H -0.17 0.67 0.22 -0.55 8.37 8.54 1fc5A1 LEU 156 HA -0.27 -0.03 0.66 -0.75 4.35 3.95 1fc5A1 LEU 156 HB2 -0.17 0.17 0.18 -0.04 1.64 1.77 1fc5A1 LEU 156 HB3 -0.20 -0.10 -0.01 -0.04 1.64 1.29 1fc5A1 LEU 156 HG -0.14 0.17 0.02 -0.04 1.64 1.65 1fc5A1 LEU 156 HD13 -0.07 0.00 -0.09 -0.04 0.93 0.73 1fc5A1 LEU 156 HD23 -0.25 -0.03 -0.12 -0.04 0.89 0.45 1fc5A1 THR 157 H -0.28 0.04 0.23 -0.55 8.28 7.72 1fc5A1 THR 157 HA -0.96 0.24 0.85 -0.75 4.39 3.77 1fc5A1 THR 157 HB -0.17 -0.05 0.22 -0.04 4.32 4.28 1fc5A1 THR 157 HG23 -0.34 0.08 -0.20 -0.04 1.22 0.73 1fc5A1 THR 158 H 0.13 0.23 0.17 -0.55 8.28 8.26 1fc5A1 THR 158 HA 0.07 0.10 0.42 -0.75 4.39 4.24 1fc5A1 THR 158 HB 0.09 0.01 0.07 -0.04 4.32 4.45 1fc5A1 THR 158 HG23 0.06 0.02 0.03 -0.04 1.22 1.28 1fc5A1 ALA 159 H -0.03 0.00 -0.29 -0.55 8.40 7.54 1fc5A1 ALA 159 HA 0.02 0.15 0.49 -0.75 4.34 4.24 1fc5A1 ALA 159 HB3 -0.01 0.01 0.04 -0.04 1.41 1.42 1fc5A1 GLU 160 H -0.16 0.06 -0.13 -0.55 8.60 7.83 1fc5A1 GLU 160 HA -0.00 0.30 1.14 -0.75 4.29 4.98 1fc5A1 GLU 160 HB2 -1.50 0.02 -0.02 -0.04 2.09 0.55 1fc5A1 GLU 160 HB3 -0.89 0.08 -0.04 -0.04 1.99 1.09 1fc5A1 GLU 160 HG2 -0.38 -0.05 0.12 -0.04 2.34 1.99 1fc5A1 GLU 160 HG3 -0.63 0.13 -0.05 -0.04 2.34 1.75 1fc5A1 LEU 161 H -0.12 0.39 0.08 -0.55 8.37 8.18 1fc5A1 LEU 161 HA -0.05 0.05 0.35 -0.75 4.35 3.95 1fc5A1 LEU 161 HB2 -0.01 0.07 0.06 -0.04 1.64 1.71 1fc5A1 LEU 161 HB3 -0.00 -0.02 -0.07 -0.04 1.64 1.50 1fc5A1 LEU 161 HG -0.14 -0.07 -0.02 -0.04 1.64 1.37 1fc5A1 LEU 161 HD13 -0.03 0.03 -0.25 -0.04 0.93 0.64 1fc5A1 LEU 161 HD23 -0.06 0.01 -0.05 -0.04 0.89 0.75 1fc5A1 PRO 162 HA 0.03 0.04 0.38 -0.51 4.44 4.38 1fc5A1 PRO 162 HB2 0.03 0.05 -0.07 -0.04 2.28 2.25 1fc5A1 PRO 162 HB3 0.03 0.00 0.06 -0.04 2.02 2.07 1fc5A1 PRO 162 HG2 0.04 0.04 -0.14 -0.04 2.03 1.93 1fc5A1 PRO 162 HG3 0.03 0.15 0.06 -0.04 2.03 2.24 1fc5A1 PRO 162 HD2 -0.01 -0.05 -0.19 -0.04 3.68 3.39 1fc5A1 PRO 162 HD3 0.02 0.07 0.06 -0.04 3.65 3.77 1fc5A1 VAL 163 H 0.09 0.22 -0.58 -0.55 8.24 7.42 1fc5A1 VAL 163 HA 0.07 0.04 0.40 -0.75 4.13 3.88 1fc5A1 VAL 163 HB 0.40 0.22 0.15 -0.04 2.12 2.85 1fc5A1 VAL 163 HG13 0.06 -0.01 -0.12 -0.04 0.97 0.86 1fc5A1 VAL 163 HG23 0.16 0.00 0.04 -0.04 0.95 1.11 1fc5A1 ILE 164 H 0.15 0.49 -0.06 -0.55 8.25 8.29 1fc5A1 ILE 164 HA 0.12 0.00 0.37 -0.75 4.18 3.92 1fc5A1 ILE 164 HB 0.06 0.15 0.14 -0.04 1.89 2.19 1fc5A1 ILE 164 HG12 0.33 -0.06 -0.00 -0.04 1.49 1.71 1fc5A1 ILE 164 HG13 0.21 0.24 0.03 -0.04 1.21 1.65 1fc5A1 ILE 164 HG23 0.06 -0.00 -0.10 -0.04 0.93 0.85 1fc5A1 ILE 164 HD13 -0.00 -0.02 -0.08 -0.04 0.88 0.73 1fc5A1 ALA 165 H 0.05 0.38 -0.36 -0.55 8.40 7.93 1fc5A1 ALA 165 HA 0.03 0.10 0.44 -0.75 4.34 4.16 1fc5A1 ALA 165 HB3 0.03 0.03 0.05 -0.04 1.41 1.48 1fc5A1 SER 166 H 0.04 0.44 -0.24 -0.55 8.46 8.16 1fc5A1 SER 166 HA 0.02 0.03 0.43 -0.75 4.49 4.21 1fc5A1 SER 166 HB2 0.00 -0.08 0.11 -0.04 3.95 3.93 1fc5A1 SER 166 HB3 0.02 0.02 0.12 -0.04 3.93 4.05 1fc5A1 LEU 167 H 0.03 0.27 -0.74 -0.55 8.37 7.38 1fc5A1 LEU 167 HA 0.01 0.09 0.56 -0.75 4.35 4.25 1fc5A1 LEU 167 HB2 0.03 0.19 0.10 -0.04 1.64 1.91 1fc5A1 LEU 167 HB3 0.01 -0.10 0.09 -0.04 1.64 1.61 1fc5A1 LEU 167 HG 0.03 0.18 0.01 -0.04 1.64 1.82 1fc5A1 LEU 167 HD13 0.01 -0.03 -0.07 -0.04 0.93 0.79 1fc5A1 LEU 167 HD23 -0.02 -0.02 -0.14 -0.04 0.89 0.67 1fc5A1 GLY 168 H 0.02 0.43 -0.30 -0.55 8.43 8.04 1fc5A1 GLY 168 HA2 0.02 0.03 0.26 -0.51 4.01 3.81 1fc5A1 GLY 168 HA3 0.02 0.11 0.63 -0.51 4.01 4.26 1fc5A1 ILE 169 H 0.03 0.23 -0.12 -0.55 8.25 7.84 1fc5A1 ILE 169 HA 0.02 0.05 0.66 -0.75 4.18 4.16 1fc5A1 ILE 169 HB 0.03 0.09 0.07 -0.04 1.89 2.04 1fc5A1 ILE 169 HG12 0.02 0.00 -0.05 -0.04 1.49 1.42 1fc5A1 ILE 169 HG13 0.02 0.00 -0.20 -0.04 1.21 0.99 1fc5A1 ILE 169 HG23 0.02 -0.04 -0.14 -0.04 0.93 0.74 1fc5A1 ILE 169 HD13 0.03 0.01 -0.02 -0.04 0.88 0.85 1fc5A1 ALA 170 H 0.02 0.16 0.19 -0.55 8.40 8.22 1fc5A1 ALA 170 HA 0.02 0.11 0.59 -0.75 4.34 4.31 1fc5A1 ALA 170 HB3 0.02 0.00 0.07 -0.04 1.41 1.46 1fc5A1 GLU 171 H 0.02 0.18 0.01 -0.55 8.60 8.26 1fc5A1 GLU 171 HA 0.01 0.18 0.75 -0.75 4.29 4.48 1fc5A1 GLU 171 HB2 0.01 -0.03 -0.13 -0.04 2.09 1.90 1fc5A1 GLU 171 HB3 0.01 0.04 -0.32 -0.04 1.99 1.67 1fc5A1 GLU 171 HG2 0.01 0.01 -0.26 -0.04 2.34 2.07 1fc5A1 GLU 171 HG3 0.01 -0.10 -0.38 -0.04 2.34 1.83 1fc5A1 VAL 172 H 0.01 0.59 0.18 -0.55 8.24 8.46 1fc5A1 VAL 172 HA 0.02 0.20 0.88 -0.75 4.13 4.48 1fc5A1 VAL 172 HB 0.01 0.10 -0.01 -0.04 2.12 2.17 1fc5A1 VAL 172 HG13 0.03 -0.02 -0.26 -0.04 0.97 0.67 1fc5A1 VAL 172 HG23 -0.00 -0.01 -0.12 -0.04 0.95 0.78 1fc5A1 PRO 173 HA 0.01 0.17 0.67 -0.51 4.44 4.77 1fc5A1 PRO 173 HB2 0.01 0.05 -0.04 -0.04 2.28 2.26 1fc5A1 PRO 173 HB3 0.01 -0.01 -0.01 -0.04 2.02 1.97 1fc5A1 PRO 173 HG2 0.01 -0.06 0.16 -0.04 2.03 2.11 1fc5A1 PRO 173 HG3 0.01 0.06 0.04 -0.04 2.03 2.10 1fc5A1 PRO 173 HD2 0.02 0.12 0.22 -0.04 3.68 4.00 1fc5A1 PRO 173 HD3 0.01 0.13 0.11 -0.04 3.65 3.86 1fc5A1 VAL 174 H 0.01 0.65 0.40 -0.55 8.24 8.75 1fc5A1 VAL 174 HA -0.00 0.08 1.03 -0.75 4.13 4.49 1fc5A1 VAL 174 HB -0.01 0.09 0.01 -0.04 2.12 2.18 1fc5A1 VAL 174 HG13 -0.01 -0.03 -0.42 -0.04 0.97 0.46 1fc5A1 VAL 174 HG23 0.00 0.02 -0.06 -0.04 0.95 0.87 1fc5A1 ILE 175 H -0.00 0.53 0.21 -0.55 8.25 8.45 1fc5A1 ILE 175 HA 0.01 0.08 0.49 -0.75 4.18 4.01 1fc5A1 ILE 175 HB 0.00 0.00 0.14 -0.04 1.89 2.00 1fc5A1 ILE 175 HG12 0.00 0.01 -0.08 -0.04 1.49 1.37 1fc5A1 ILE 175 HG13 0.00 0.14 -0.01 -0.04 1.21 1.30 1fc5A1 ILE 175 HG23 0.01 0.06 -0.13 -0.04 0.93 0.83 1fc5A1 ILE 175 HD13 0.01 -0.05 -0.15 -0.04 0.88 0.65 1fc5A1 ARG 176 H 0.01 0.54 0.26 -0.55 8.46 8.72 1fc5A1 ARG 176 HA 0.01 -0.01 0.33 -0.75 4.34 3.92 1fc5A1 ARG 176 HB2 0.02 -0.06 0.05 -0.04 1.90 1.87 1fc5A1 ARG 176 HB3 0.01 -0.03 -0.06 -0.04 1.80 1.69 1fc5A1 ARG 176 HG2 0.02 0.06 0.03 -0.04 1.67 1.73 1fc5A1 ARG 176 HG3 0.02 0.11 -0.31 -0.04 1.67 1.45 1fc5A1 ARG 176 HD2 0.02 0.02 -0.03 -0.04 3.22 3.18 1fc5A1 ARG 176 HD3 0.02 -0.05 -0.03 -0.04 3.22 3.11 1fc5A1 LYS 177 H 0.01 0.01 0.12 -0.55 8.42 8.01 1fc5A1 LYS 177 HA 0.02 0.14 0.48 -0.75 4.32 4.20 1fc5A1 LYS 177 HB2 0.02 -0.13 0.09 -0.04 1.87 1.80 1fc5A1 LYS 177 HB3 0.02 0.04 0.00 -0.04 1.79 1.81 1fc5A1 LYS 177 HG2 0.02 0.20 0.09 -0.04 1.46 1.73 1fc5A1 LYS 177 HG3 0.02 -0.10 0.07 -0.04 1.46 1.40 1fc5A1 LYS 177 HD2 0.02 -0.13 -0.02 -0.04 1.69 1.51 1fc5A1 LYS 177 HD3 0.02 0.05 -0.16 -0.04 1.68 1.54 1fc5A1 LYS 177 HE2 0.02 0.15 0.01 -0.04 2.99 3.13 1fc5A1 LYS 177 HE3 0.02 -0.06 -0.01 -0.04 2.99 2.90 1fc5A1 VAL 178 H 0.02 0.19 0.16 -0.55 8.24 8.06 1fc5A1 VAL 178 HA 0.04 0.06 0.47 -0.75 4.13 3.94 1fc5A1 VAL 178 HB 0.03 -0.03 0.11 -0.04 2.12 2.19 1fc5A1 VAL 178 HG13 0.05 -0.02 -0.18 -0.04 0.97 0.78 1fc5A1 VAL 178 HG23 0.03 0.04 -0.02 -0.04 0.95 0.96 1fc5A1 ARG 179 H 0.04 0.12 0.26 -0.55 8.46 8.32 1fc5A1 ARG 179 HA 0.02 0.24 0.89 -0.75 4.34 4.74 1fc5A1 ARG 179 HB2 0.04 -0.15 0.28 -0.04 1.90 2.03 1fc5A1 ARG 179 HB3 0.03 0.12 0.14 -0.04 1.80 2.04 1fc5A1 ARG 179 HG2 0.02 -0.00 0.01 -0.04 1.67 1.66 1fc5A1 ARG 179 HG3 0.02 0.14 0.01 -0.04 1.67 1.81 1fc5A1 ARG 179 HD2 0.02 -0.04 0.00 -0.04 3.22 3.16 1fc5A1 ARG 179 HD3 0.02 -0.03 0.01 -0.04 3.22 3.18 1fc5A1 VAL 180 H 0.01 0.68 0.35 -0.55 8.24 8.73 1fc5A1 VAL 180 HA 0.05 0.24 1.20 -0.75 4.13 4.87 1fc5A1 VAL 180 HB 0.01 -0.05 -0.01 -0.04 2.12 2.03 1fc5A1 VAL 180 HG13 0.05 -0.01 -0.25 -0.04 0.97 0.73 1fc5A1 VAL 180 HG23 0.05 0.03 -0.27 -0.04 0.95 0.72 1fc5A1 ALA 181 H 0.06 0.70 0.41 -0.55 8.40 9.03 1fc5A1 ALA 181 HA 0.05 0.23 0.94 -0.75 4.34 4.80 1fc5A1 ALA 181 HB3 0.10 -0.00 0.08 -0.04 1.41 1.54 1fc5A1 LEU 182 H 0.07 0.55 0.38 -0.55 8.37 8.83 1fc5A1 LEU 182 HA -0.06 0.29 0.95 -0.75 4.35 4.78 1fc5A1 LEU 182 HB2 -0.03 0.09 -0.18 -0.04 1.64 1.49 1fc5A1 LEU 182 HB3 -0.01 -0.00 -0.06 -0.04 1.64 1.52 1fc5A1 LEU 182 HG 0.01 -0.10 -0.37 -0.04 1.64 1.14 1fc5A1 LEU 182 HD13 -0.06 0.02 -0.07 -0.04 0.93 0.78 1fc5A1 LEU 182 HD23 -0.02 0.02 -0.12 -0.04 0.89 0.73 1fc5A1 PHE 183 H -0.28 0.53 0.38 -0.55 8.34 8.42 1fc5A1 PHE 183 HA -0.01 0.06 0.50 -0.75 4.62 4.42 1fc5A1 PHE 183 HB2 -0.04 0.17 0.05 -0.04 3.15 3.29 1fc5A1 PHE 183 HB3 -0.04 0.06 -0.15 -0.04 3.06 2.89 1fc5A1 PHE 183 HD2 -0.08 0.04 -0.42 -0.04 7.28 6.78 1fc5A1 PHE 183 HE2 -0.31 -0.02 -0.26 -0.04 7.38 6.76 1fc5A1 PHE 183 HZ -1.54 -0.01 -0.20 -0.04 7.32 5.53 1fc5A1 SER 184 H 0.22 0.52 0.30 -0.55 8.46 8.96 1fc5A1 SER 184 HA 0.04 0.16 0.99 -0.75 4.49 4.93 1fc5A1 SER 184 HB2 0.05 0.08 -0.01 -0.04 3.95 4.04 1fc5A1 SER 184 HB3 0.04 -0.08 -0.10 -0.04 3.93 3.74 1fc5A1 THR 185 H 0.10 0.68 0.36 -0.55 8.28 8.87 1fc5A1 THR 185 HA 0.12 0.34 1.07 -0.75 4.39 5.16 1fc5A1 THR 185 HB 0.12 -0.10 -0.06 -0.04 4.32 4.24 1fc5A1 THR 185 HG23 0.14 0.00 -0.18 -0.04 1.22 1.14 1fc5A1 GLY 186 H 0.08 0.47 0.13 -0.55 8.43 8.57 1fc5A1 GLY 186 HA2 0.08 -0.05 0.42 -0.51 4.01 3.95 1fc5A1 GLY 186 HA3 0.06 0.16 0.67 -0.51 4.01 4.39 1fc5A1 ASP 187 H 0.05 0.17 0.20 -0.55 8.40 8.28 1fc5A1 ASP 187 HA 0.02 0.10 0.50 -0.75 4.63 4.50 1fc5A1 ASP 187 HB2 0.02 0.00 0.14 -0.04 2.71 2.84 1fc5A1 ASP 187 HB3 0.01 0.12 0.08 -0.04 2.70 2.86 1fc5A1 GLU 188 H 0.02 -0.06 -0.34 -0.55 8.60 7.68 1fc5A1 GLU 188 HA -0.01 0.22 0.56 -0.75 4.29 4.30 1fc5A1 GLU 188 HB2 -0.01 0.21 0.14 -0.04 2.09 2.39 1fc5A1 GLU 188 HB3 0.01 -0.05 0.03 -0.04 1.99 1.93 1fc5A1 GLU 188 HG2 0.01 0.04 -0.34 -0.04 2.34 2.01 1fc5A1 GLU 188 HG3 0.01 0.03 -0.05 -0.04 2.34 2.29 1fc5A1 LEU 189 H 0.01 0.26 -0.41 -0.55 8.37 7.69 1fc5A1 LEU 189 HA -0.02 0.20 0.65 -0.75 4.35 4.42 1fc5A1 LEU 189 HB2 0.03 0.10 -0.04 -0.04 1.64 1.69 1fc5A1 LEU 189 HB3 0.02 -0.04 -0.10 -0.04 1.64 1.49 1fc5A1 LEU 189 HG 0.03 -0.17 -0.15 -0.04 1.64 1.30 1fc5A1 LEU 189 HD13 0.05 0.01 -0.36 -0.04 0.93 0.59 1fc5A1 LEU 189 HD23 0.02 0.00 -0.17 -0.04 0.89 0.70 1fc5A1 GLN 190 H -0.05 0.39 0.36 -0.55 8.47 8.62 1fc5A1 GLN 190 HA -0.01 0.16 0.89 -0.75 4.36 4.64 1fc5A1 GLN 190 HB2 -0.15 -0.03 -0.15 -0.04 2.15 1.78 1fc5A1 GLN 190 HB3 -0.36 -0.03 -0.12 -0.04 2.02 1.46 1fc5A1 GLN 190 HG2 -0.11 0.13 -0.30 -0.04 2.40 2.08 1fc5A1 GLN 190 HG3 0.07 0.22 -0.15 -0.04 2.39 2.50 1fc5A1 GLN 190 HE21 -0.01 -0.07 0.02 -0.04 6.97 6.87 1fc5A1 GLN 190 HE22 -0.04 0.09 0.02 -0.04 7.69 7.72 1fc5A1 LEU 191 H 0.05 0.14 0.10 -0.55 8.37 8.11 1fc5A1 LEU 191 HA 0.08 0.08 0.57 -0.75 4.35 4.33 1fc5A1 LEU 191 HB2 0.05 -0.01 0.04 -0.04 1.64 1.68 1fc5A1 LEU 191 HB3 0.04 0.13 0.03 -0.04 1.64 1.80 1fc5A1 LEU 191 HG 0.03 -0.06 -0.02 -0.04 1.64 1.56 1fc5A1 LEU 191 HD13 0.02 0.01 0.01 -0.04 0.93 0.93 1fc5A1 LEU 191 HD23 0.03 -0.01 0.01 -0.04 0.89 0.88 1fc5A1 PRO 192 HA -0.07 -0.00 0.43 -0.51 4.44 4.28 1fc5A1 PRO 192 HB2 -0.06 0.05 0.01 -0.04 2.28 2.24 1fc5A1 PRO 192 HB3 -0.05 0.03 0.13 -0.04 2.02 2.09 1fc5A1 PRO 192 HG2 -0.01 0.06 0.10 -0.04 2.03 2.14 1fc5A1 PRO 192 HG3 -0.02 0.06 0.08 -0.04 2.03 2.10 1fc5A1 PRO 192 HD2 0.03 0.07 0.18 -0.04 3.68 3.91 1fc5A1 PRO 192 HD3 0.02 0.12 0.22 -0.04 3.65 3.97 1fc5A1 GLY 193 H -0.11 0.11 0.18 -0.55 8.43 8.06 1fc5A1 GLY 193 HA2 -0.02 -0.02 0.32 -0.51 4.01 3.77 1fc5A1 GLY 193 HA3 -0.01 0.10 0.47 -0.51 4.01 4.06 1fc5A1 GLN 194 H 0.18 0.29 -0.15 -0.55 8.47 8.24 1fc5A1 GLN 194 HA 0.06 0.18 0.85 -0.75 4.36 4.70 1fc5A1 GLN 194 HB2 0.10 0.01 -0.02 -0.04 2.15 2.20 1fc5A1 GLN 194 HB3 0.04 0.01 0.06 -0.04 2.02 2.09 1fc5A1 GLN 194 HG2 0.05 0.06 -0.49 -0.04 2.40 1.98 1fc5A1 GLN 194 HG3 0.06 -0.15 -0.13 -0.04 2.39 2.12 1fc5A1 GLN 194 HE21 0.01 -0.04 -0.03 -0.04 6.97 6.87 1fc5A1 GLN 194 HE22 0.02 0.08 -0.15 -0.04 7.69 7.61 1fc5A1 PRO 195 HA 0.08 0.05 0.49 -0.51 4.44 4.55 1fc5A1 PRO 195 HB2 0.01 0.06 -0.05 -0.04 2.28 2.26 1fc5A1 PRO 195 HB3 0.03 0.02 0.06 -0.04 2.02 2.09 1fc5A1 PRO 195 HG2 0.01 0.00 -0.00 -0.04 2.03 1.99 1fc5A1 PRO 195 HG3 0.01 0.03 0.03 -0.04 2.03 2.07 1fc5A1 PRO 195 HD2 0.03 0.08 0.21 -0.04 3.68 3.95 1fc5A1 PRO 195 HD3 0.03 0.17 0.14 -0.04 3.65 3.96 1fc5A1 LEU 196 H -0.00 0.11 0.11 -0.55 8.37 8.04 1fc5A1 LEU 196 HA -0.14 0.10 0.64 -0.75 4.35 4.19 1fc5A1 LEU 196 HB2 -0.06 -0.05 0.13 -0.04 1.64 1.62 1fc5A1 LEU 196 HB3 -0.12 0.12 -0.04 -0.04 1.64 1.56 1fc5A1 LEU 196 HG -0.20 -0.01 -0.05 -0.04 1.64 1.34 1fc5A1 LEU 196 HD13 -0.07 0.03 -0.01 -0.04 0.93 0.84 1fc5A1 LEU 196 HD23 -0.87 0.00 -0.37 -0.04 0.89 -0.40 1fc5A1 GLY 197 H -0.07 0.14 0.07 -0.55 8.43 8.02 1fc5A1 GLY 197 HA2 -0.02 0.12 0.55 -0.51 4.01 4.15 1fc5A1 GLY 197 HA3 -0.03 0.05 0.30 -0.51 4.01 3.82 1fc5A1 ASP 198 H -0.02 0.11 0.12 -0.55 8.40 8.06 1fc5A1 ASP 198 HA -0.01 0.03 0.42 -0.75 4.63 4.31 1fc5A1 ASP 198 HB2 -0.01 0.01 0.15 -0.04 2.71 2.82 1fc5A1 ASP 198 HB3 -0.01 -0.00 0.16 -0.04 2.70 2.80 1fc5A1 GLY 199 H -0.02 0.13 0.21 -0.55 8.43 8.21 1fc5A1 GLY 199 HA2 -0.01 -0.01 0.34 -0.51 4.01 3.82 1fc5A1 GLY 199 HA3 -0.01 0.03 0.43 -0.51 4.01 3.94 1fc5A1 GLN 200 H -0.05 0.40 -0.29 -0.55 8.47 7.98 1fc5A1 GLN 200 HA -0.05 0.20 0.80 -0.75 4.36 4.55 1fc5A1 GLN 200 HB2 -0.12 -0.11 -0.01 -0.04 2.15 1.87 1fc5A1 GLN 200 HB3 -0.14 0.09 -0.03 -0.04 2.02 1.90 1fc5A1 GLN 200 HG2 -0.04 0.08 -0.13 -0.04 2.40 2.27 1fc5A1 GLN 200 HG3 -0.05 -0.04 -0.35 -0.04 2.39 1.92 1fc5A1 GLN 200 HE21 -0.03 -0.05 -0.07 -0.04 6.97 6.79 1fc5A1 GLN 200 HE22 -0.03 0.33 -0.06 -0.04 7.69 7.89 1fc5A1 ILE 201 H -0.10 0.73 0.36 -0.55 8.25 8.70 1fc5A1 ILE 201 HA -0.16 0.12 0.70 -0.75 4.18 4.09 1fc5A1 ILE 201 HB -0.00 -0.03 0.09 -0.04 1.89 1.91 1fc5A1 ILE 201 HG12 -0.02 0.05 -0.07 -0.04 1.49 1.41 1fc5A1 ILE 201 HG13 -0.01 -0.02 -0.49 -0.04 1.21 0.65 1fc5A1 ILE 201 HG23 -0.02 0.02 -0.23 -0.04 0.93 0.66 1fc5A1 ILE 201 HD13 0.02 -0.02 -0.09 -0.04 0.88 0.75 1fc5A1 TYR 202 H 0.06 0.12 0.12 -0.55 8.29 8.04 1fc5A1 TYR 202 HA -0.01 0.19 0.82 -0.75 4.56 4.81 1fc5A1 TYR 202 HB2 -0.02 -0.04 0.08 -0.04 3.06 3.03 1fc5A1 TYR 202 HB3 -0.02 0.10 -0.04 -0.04 2.98 2.97 1fc5A1 TYR 202 HD2 -0.01 0.04 -0.15 -0.04 7.15 6.99 1fc5A1 TYR 202 HE2 -0.01 0.08 -0.03 -0.04 6.85 6.85 1fc5A1 ASP 203 H 0.11 0.47 0.25 -0.55 8.40 8.69 1fc5A1 ASP 203 HA 0.03 -0.03 0.47 -0.75 4.63 4.35 1fc5A1 ASP 203 HB2 0.04 0.04 0.05 -0.04 2.71 2.79 1fc5A1 ASP 203 HB3 0.05 0.06 0.11 -0.04 2.70 2.87 1fc5A1 THR 204 H -0.01 0.03 0.25 -0.55 8.28 8.00 1fc5A1 THR 204 HA -0.05 0.26 1.00 -0.75 4.39 4.84 1fc5A1 THR 204 HB -0.18 0.02 0.02 -0.04 4.32 4.15 1fc5A1 THR 204 HG23 -0.04 0.08 -0.16 -0.04 1.22 1.06 1fc5A1 ASN 205 H -0.03 0.06 0.18 -0.55 8.53 8.19 1fc5A1 ASN 205 HA -0.06 0.13 0.46 -0.75 4.76 4.53 1fc5A1 ASN 205 HB2 -0.00 -0.06 0.16 -0.04 2.88 2.94 1fc5A1 ASN 205 HB3 -0.01 0.09 0.05 -0.04 2.79 2.89 1fc5A1 ASN 205 HD21 0.05 0.15 -0.09 -0.04 7.03 7.10 1fc5A1 ASN 205 HD22 0.03 0.41 0.14 -0.04 7.74 8.28 1fc5A1 ARG 206 H -0.01 0.04 -0.18 -0.55 8.46 7.76 1fc5A1 ARG 206 HA -0.02 0.10 0.27 -0.75 4.34 3.94 1fc5A1 ARG 206 HB2 0.02 -0.03 -0.05 -0.04 1.90 1.79 1fc5A1 ARG 206 HB3 0.01 -0.00 -0.10 -0.04 1.80 1.67 1fc5A1 ARG 206 HG2 0.06 0.06 -0.23 -0.04 1.67 1.51 1fc5A1 ARG 206 HG3 0.04 0.03 -0.13 -0.04 1.67 1.57 1fc5A1 ARG 206 HD2 0.08 -0.02 -0.07 -0.04 3.22 3.17 1fc5A1 ARG 206 HD3 0.08 -0.05 -0.10 -0.04 3.22 3.10 1fc5A1 LEU 207 H -0.03 0.09 -0.41 -0.55 8.37 7.47 1fc5A1 LEU 207 HA -0.03 0.07 0.41 -0.75 4.35 4.04 1fc5A1 LEU 207 HB2 -0.06 -0.02 0.05 -0.04 1.64 1.56 1fc5A1 LEU 207 HB3 -0.07 0.09 0.08 -0.04 1.64 1.69 1fc5A1 LEU 207 HG -0.07 0.05 -0.24 -0.04 1.64 1.33 1fc5A1 LEU 207 HD13 -0.10 -0.00 0.02 -0.04 0.93 0.80 1fc5A1 LEU 207 HD23 -0.07 -0.00 -0.01 -0.04 0.89 0.77 1fc5A1 ALA 208 H -0.08 0.32 -0.19 -0.55 8.40 7.91 1fc5A1 ALA 208 HA -0.08 0.03 0.38 -0.75 4.34 3.92 1fc5A1 ALA 208 HB3 -0.09 0.01 0.11 -0.04 1.41 1.40 1fc5A1 VAL 209 H -0.12 0.51 -0.09 -0.55 8.24 7.99 1fc5A1 VAL 209 HA -0.53 0.08 0.40 -0.75 4.13 3.33 1fc5A1 VAL 209 HB -0.13 -0.04 0.00 -0.04 2.12 1.92 1fc5A1 VAL 209 HG13 -0.33 0.00 -0.15 -0.04 0.97 0.45 1fc5A1 VAL 209 HG23 -0.19 0.00 -0.07 -0.04 0.95 0.66 1fc5A1 HIS 210 H 0.01 0.40 -0.25 -0.55 8.41 8.03 1fc5A1 HIS 210 HA -0.07 -0.01 0.32 -0.75 4.63 4.11 1fc5A1 HIS 210 HB2 -0.05 0.06 0.11 -0.04 3.26 3.33 1fc5A1 HIS 210 HB3 -0.06 0.05 0.12 -0.04 3.20 3.26 1fc5A1 HIS 210 HD2 -0.03 0.04 -0.39 -0.04 6.97 6.54 1fc5A1 HIS 210 HE1 -0.00 -0.01 -0.03 -0.04 7.75 7.66 1fc5A1 LEU 211 H 0.01 0.54 -0.17 -0.55 8.37 8.20 1fc5A1 LEU 211 HA 0.05 -0.03 0.23 -0.75 4.35 3.85 1fc5A1 LEU 211 HB2 -0.07 0.17 0.15 -0.04 1.64 1.85 1fc5A1 LEU 211 HB3 -0.05 -0.03 0.12 -0.04 1.64 1.64 1fc5A1 LEU 211 HG -0.04 0.13 0.06 -0.04 1.64 1.74 1fc5A1 LEU 211 HD13 -0.05 -0.03 -0.03 -0.04 0.93 0.78 1fc5A1 LEU 211 HD23 -0.04 -0.02 0.00 -0.04 0.89 0.79 1fc5A1 LEU 213 HA 0.08 -0.09 0.26 -0.75 4.35 3.85 1fc5A1 LEU 213 HB2 -0.12 0.12 0.07 -0.04 1.64 1.66 1fc5A1 LEU 213 HB3 -0.05 -0.08 -0.16 -0.04 1.64 1.30 1fc5A1 LEU 213 HG -0.13 0.18 -0.00 -0.04 1.64 1.65 1fc5A1 LEU 213 HD13 -0.07 -0.04 -0.20 -0.04 0.93 0.57 1fc5A1 LEU 213 HD23 0.20 -0.03 -0.07 -0.04 0.89 0.96 1fc5A1 GLU 214 H -0.01 0.64 -0.57 -0.55 8.60 8.12 1fc5A1 GLU 214 HA 0.01 0.13 0.43 -0.75 4.29 4.11 1fc5A1 GLU 214 HB2 0.08 0.04 0.09 -0.04 2.09 2.26 1fc5A1 GLU 214 HB3 0.05 0.04 0.13 -0.04 1.99 2.16 1fc5A1 GLU 214 HG2 0.03 -0.02 -0.06 -0.04 2.34 2.26 1fc5A1 GLU 214 HG3 0.04 0.04 0.08 -0.04 2.34 2.46 1fc5A1 GLN 215 H 0.00 0.58 0.25 -0.55 8.47 8.75 1fc5A1 GLN 215 HA 0.02 0.05 0.47 -0.75 4.36 4.14 1fc5A1 GLN 215 HB2 -0.01 0.04 -0.01 -0.04 2.15 2.13 1fc5A1 GLN 215 HB3 0.00 -0.07 0.03 -0.04 2.02 1.94 1fc5A1 GLN 215 HG2 -0.01 0.17 0.12 -0.04 2.40 2.64 1fc5A1 GLN 215 HG3 -0.03 -0.02 0.04 -0.04 2.39 2.33 1fc5A1 GLN 215 HE21 -0.01 -0.04 -0.02 -0.04 6.97 6.86 1fc5A1 GLN 215 HE22 -0.00 0.01 -0.01 -0.04 7.69 7.64 1fc5A1 LEU 216 H 0.03 0.25 -0.58 -0.55 8.37 7.52 1fc5A1 LEU 216 HA 0.03 0.08 0.63 -0.75 4.35 4.34 1fc5A1 LEU 216 HB2 0.06 0.13 0.05 -0.04 1.64 1.84 1fc5A1 LEU 216 HB3 0.03 -0.01 0.11 -0.04 1.64 1.73 1fc5A1 LEU 216 HG 0.07 -0.03 -0.14 -0.04 1.64 1.50 1fc5A1 LEU 216 HD13 0.14 0.00 -0.03 -0.04 0.93 1.00 1fc5A1 LEU 216 HD23 0.00 -0.00 -0.05 -0.04 0.89 0.79 1fc5A1 GLY 217 H 0.03 0.41 -0.41 -0.55 8.43 7.91 1fc5A1 GLY 217 HA2 0.03 0.02 0.30 -0.51 4.01 3.85 1fc5A1 GLY 217 HA3 0.03 0.10 0.53 -0.51 4.01 4.16 1fc5A1 CYS 218 H 0.02 0.30 -0.10 -0.55 8.50 8.17 1fc5A1 CYS 218 HA 0.02 0.06 0.58 -0.75 4.58 4.49 1fc5A1 CYS 218 HB2 0.01 -0.03 -0.13 -0.04 2.97 2.79 1fc5A1 CYS 218 HB3 0.02 0.07 0.02 -0.04 2.97 3.04 1fc5A1 GLU 219 H 0.01 0.62 0.18 -0.55 8.60 8.87 1fc5A1 GLU 219 HA 0.00 0.09 0.73 -0.75 4.29 4.36 1fc5A1 GLU 219 HB2 0.01 0.02 -0.03 -0.04 2.09 2.05 1fc5A1 GLU 219 HB3 0.01 -0.02 0.07 -0.04 1.99 2.02 1fc5A1 GLU 219 HG2 0.01 -0.02 -0.04 -0.04 2.34 2.25 1fc5A1 GLU 219 HG3 0.01 -0.01 -0.20 -0.04 2.34 2.10 1fc5A1 VAL 220 H -0.04 0.16 0.09 -0.55 8.24 7.90 1fc5A1 VAL 220 HA -0.07 0.31 0.98 -0.75 4.13 4.61 1fc5A1 VAL 220 HB -0.32 -0.05 0.06 -0.04 2.12 1.78 1fc5A1 VAL 220 HG13 -0.44 -0.04 -0.25 -0.04 0.97 0.21 1fc5A1 VAL 220 HG23 -0.25 0.06 -0.19 -0.04 0.95 0.53 1fc5A1 ILE 221 H -0.02 0.72 0.29 -0.55 8.25 8.69 1fc5A1 ILE 221 HA 0.02 0.15 0.91 -0.75 4.18 4.50 1fc5A1 ILE 221 HB 0.03 -0.03 0.17 -0.04 1.89 2.03 1fc5A1 ILE 221 HG12 0.02 0.03 -0.05 -0.04 1.49 1.45 1fc5A1 ILE 221 HG13 0.02 0.04 -0.19 -0.04 1.21 1.03 1fc5A1 ILE 221 HG23 0.03 -0.01 -0.10 -0.04 0.93 0.80 1fc5A1 ILE 221 HD13 0.02 0.01 -0.19 -0.04 0.88 0.67 1fc5A1 ASN 222 H 0.06 0.23 0.01 -0.55 8.53 8.29 1fc5A1 ASN 222 HA 0.07 0.18 0.80 -0.75 4.76 5.06 1fc5A1 ASN 222 HB2 0.21 0.05 0.02 -0.04 2.88 3.13 1fc5A1 ASN 222 HB3 0.14 0.01 0.16 -0.04 2.79 3.06 1fc5A1 ASN 222 HD21 0.12 -0.10 -0.12 -0.04 7.03 6.90 1fc5A1 ASN 222 HD22 0.54 0.07 -0.06 -0.04 7.74 8.25 1fc5A1 LEU 223 H 0.11 0.61 0.34 -0.55 8.37 8.89 1fc5A1 LEU 223 HA 0.03 0.17 0.71 -0.75 4.35 4.50 1fc5A1 LEU 223 HB2 0.04 -0.00 0.02 -0.04 1.64 1.65 1fc5A1 LEU 223 HB3 -0.05 -0.04 0.11 -0.04 1.64 1.61 1fc5A1 LEU 223 HG 0.10 0.09 -0.01 -0.04 1.64 1.78 1fc5A1 LEU 223 HD13 -0.04 -0.02 -0.07 -0.04 0.93 0.76 1fc5A1 LEU 223 HD23 0.02 -0.00 -0.24 -0.04 0.89 0.63 1fc5A1 GLY 224 H 0.08 0.05 -0.20 -0.55 8.43 7.81 1fc5A1 GLY 224 HA2 0.05 -0.01 0.25 -0.51 4.01 3.79 1fc5A1 GLY 224 HA3 0.03 0.12 0.45 -0.51 4.01 4.10 1fc5A1 ILE 225 H 0.03 0.17 0.16 -0.55 8.25 8.05 1fc5A1 ILE 225 HA 0.08 0.21 0.99 -0.75 4.18 4.70 1fc5A1 ILE 225 HB 0.03 -0.00 0.03 -0.04 1.89 1.90 1fc5A1 ILE 225 HG12 0.05 -0.03 -0.18 -0.04 1.49 1.30 1fc5A1 ILE 225 HG13 0.04 -0.08 -0.18 -0.04 1.21 0.95 1fc5A1 ILE 225 HG23 0.04 0.00 -0.30 -0.04 0.93 0.63 1fc5A1 ILE 225 HD13 0.04 0.00 -0.31 -0.04 0.88 0.57 1fc5A1 ILE 226 H 0.07 0.71 0.35 -0.55 8.25 8.83 1fc5A1 ILE 226 HA -0.02 0.16 0.90 -0.75 4.18 4.46 1fc5A1 ILE 226 HB -0.00 -0.07 0.07 -0.04 1.89 1.84 1fc5A1 ILE 226 HG12 -0.14 0.06 -0.18 -0.04 1.49 1.19 1fc5A1 ILE 226 HG13 -0.56 -0.03 -0.13 -0.04 1.21 0.46 1fc5A1 ILE 226 HG23 -0.07 0.04 -0.16 -0.04 0.93 0.70 1fc5A1 ILE 226 HD13 -0.17 0.06 -0.23 -0.04 0.88 0.50 1fc5A1 ARG 227 H 0.01 0.16 0.12 -0.55 8.46 8.19 1fc5A1 ARG 227 HA 0.04 0.08 0.36 -0.75 4.34 4.06 1fc5A1 ARG 227 HB2 0.01 -0.03 0.07 -0.04 1.90 1.91 1fc5A1 ARG 227 HB3 0.01 0.12 0.06 -0.04 1.80 1.95 1fc5A1 ARG 227 HG2 0.01 -0.01 0.03 -0.04 1.67 1.65 1fc5A1 ARG 227 HG3 0.01 -0.06 -0.32 -0.04 1.67 1.25 1fc5A1 ARG 227 HD2 -0.00 0.02 -0.03 -0.04 3.22 3.16 1fc5A1 ARG 227 HD3 0.00 0.07 0.00 -0.04 3.22 3.25 1fc5A1 ASP 228 H 0.05 0.10 0.06 -0.55 8.40 8.06 1fc5A1 ASP 228 HA 0.20 0.11 0.39 -0.75 4.63 4.57 1fc5A1 ASP 228 HB2 0.01 0.02 0.23 -0.04 2.71 2.93 1fc5A1 ASP 228 HB3 -0.04 0.04 0.19 -0.04 2.70 2.84 1fc5A1 ASP 229 H 0.07 0.60 0.19 -0.55 8.40 8.71 1fc5A1 ASP 229 HA -0.09 0.25 0.88 -0.75 4.63 4.91 1fc5A1 ASP 229 HB2 -0.00 0.09 -0.10 -0.04 2.71 2.65 1fc5A1 ASP 229 HB3 0.02 0.01 0.08 -0.04 2.70 2.78 1fc5A1 PRO 230 HA 0.17 0.04 0.38 -0.51 4.44 4.53 1fc5A1 PRO 230 HB2 -0.16 0.09 -0.02 -0.04 2.28 2.15 1fc5A1 PRO 230 HB3 0.05 0.05 0.09 -0.04 2.02 2.17 1fc5A1 PRO 230 HG2 -0.14 0.03 0.10 -0.04 2.03 1.98 1fc5A1 PRO 230 HG3 -0.13 0.09 0.08 -0.04 2.03 2.02 1fc5A1 PRO 230 HD2 -0.15 0.16 0.26 -0.04 3.68 3.90 1fc5A1 PRO 230 HD3 -0.39 0.13 0.06 -0.04 3.65 3.40 1fc5A1 HIS 231 H 0.00 0.09 -0.25 -0.55 8.41 7.71 1fc5A1 HIS 231 HA 0.02 0.15 0.53 -0.75 4.63 4.57 1fc5A1 HIS 231 HB2 -0.00 -0.06 0.07 -0.04 3.26 3.24 1fc5A1 HIS 231 HB3 -0.00 0.07 -0.04 -0.04 3.20 3.19 1fc5A1 HIS 231 HD2 -0.01 -0.01 0.01 -0.04 6.97 6.91 1fc5A1 HIS 231 HE1 -0.00 0.04 -0.02 -0.04 7.75 7.73 1fc5A1 ALA 232 H 0.09 0.08 -0.08 -0.55 8.40 7.95 1fc5A1 ALA 232 HA 0.02 0.10 0.41 -0.75 4.34 4.12 1fc5A1 ALA 232 HB3 0.01 0.03 0.10 -0.04 1.41 1.51 1fc5A1 LEU 233 H 0.07 0.44 -0.13 -0.55 8.37 8.20 1fc5A1 LEU 233 HA -0.05 0.06 0.32 -0.75 4.35 3.93 1fc5A1 LEU 233 HB2 0.18 0.04 -0.01 -0.04 1.64 1.81 1fc5A1 LEU 233 HB3 0.17 0.06 -0.06 -0.04 1.64 1.77 1fc5A1 LEU 233 HG 0.15 -0.01 -0.10 -0.04 1.64 1.64 1fc5A1 LEU 233 HD13 0.13 -0.01 -0.10 -0.04 0.93 0.90 1fc5A1 LEU 233 HD23 0.20 0.01 -0.10 -0.04 0.89 0.95 1fc5A1 ARG 234 H 0.09 0.40 -0.18 -0.55 8.46 8.21 1fc5A1 ARG 234 HA 0.17 0.04 0.37 -0.75 4.34 4.17 1fc5A1 ARG 234 HB2 0.04 0.04 0.15 -0.04 1.90 2.09 1fc5A1 ARG 234 HB3 0.06 0.07 0.12 -0.04 1.80 2.00 1fc5A1 ARG 234 HG2 0.04 -0.01 -0.13 -0.04 1.67 1.53 1fc5A1 ARG 234 HG3 0.02 0.01 0.03 -0.04 1.67 1.69 1fc5A1 ARG 234 HD2 0.03 -0.01 -0.02 -0.04 3.22 3.18 1fc5A1 ARG 234 HD3 0.01 0.03 -0.03 -0.04 3.22 3.18 1fc5A1 ALA 235 H 0.04 0.41 -0.23 -0.55 8.40 8.07 1fc5A1 ALA 235 HA 0.02 0.02 0.40 -0.75 4.34 4.02 1fc5A1 ALA 235 HB3 -0.00 0.03 0.08 -0.04 1.41 1.48 1fc5A1 ALA 236 H -0.10 0.42 -0.25 -0.55 8.40 7.92 1fc5A1 ALA 236 HA -0.22 0.04 0.40 -0.75 4.34 3.80 1fc5A1 ALA 236 HB3 -0.71 0.02 0.03 -0.04 1.41 0.71 1fc5A1 PHE 237 H 0.04 0.48 -0.14 -0.55 8.34 8.16 1fc5A1 PHE 237 HA 0.14 0.00 0.31 -0.75 4.62 4.32 1fc5A1 PHE 237 HB2 -0.02 0.12 0.13 -0.04 3.15 3.35 1fc5A1 PHE 237 HB3 -0.02 0.02 -0.10 -0.04 3.06 2.92 1fc5A1 PHE 237 HD2 0.02 0.05 -0.13 -0.04 7.28 7.18 1fc5A1 PHE 237 HE2 -0.15 -0.04 -0.16 -0.04 7.38 6.98 1fc5A1 PHE 237 HZ -0.07 -0.07 -0.15 -0.04 7.32 6.99 1fc5A1 ILE 238 H 0.11 0.50 -0.14 -0.55 8.25 8.18 1fc5A1 ILE 238 HA 0.05 0.02 0.38 -0.75 4.18 3.88 1fc5A1 ILE 238 HB 0.03 0.05 0.12 -0.04 1.89 2.05 1fc5A1 ILE 238 HG12 0.01 -0.01 0.02 -0.04 1.49 1.48 1fc5A1 ILE 238 HG13 0.05 0.03 0.05 -0.04 1.21 1.30 1fc5A1 ILE 238 HG23 0.01 -0.01 -0.13 -0.04 0.93 0.76 1fc5A1 ILE 238 HD13 0.01 -0.02 -0.06 -0.04 0.88 0.77 1fc5A1 GLU 239 H 0.01 0.50 -0.22 -0.55 8.60 8.34 1fc5A1 GLU 239 HA 0.01 0.03 0.43 -0.75 4.29 4.00 1fc5A1 GLU 239 HB2 -0.02 -0.00 0.10 -0.04 2.09 2.12 1fc5A1 GLU 239 HB3 -0.04 0.07 0.13 -0.04 1.99 2.11 1fc5A1 GLU 239 HG2 -0.02 -0.04 -0.04 -0.04 2.34 2.19 1fc5A1 GLU 239 HG3 -0.00 0.02 -0.22 -0.04 2.34 2.10 1fc5A1 ALA 240 H 0.03 0.58 -0.12 -0.55 8.40 8.35 1fc5A1 ALA 240 HA 0.06 0.02 0.34 -0.75 4.34 4.01 1fc5A1 ALA 240 HB3 0.16 -0.01 0.01 -0.04 1.41 1.53 1fc5A1 ASP 241 H 0.10 0.63 -0.12 -0.55 8.40 8.47 1fc5A1 ASP 241 HA 0.07 0.04 0.23 -0.75 4.63 4.21 1fc5A1 ASP 241 HB2 0.07 -0.06 0.02 -0.04 2.71 2.70 1fc5A1 ASP 241 HB3 0.05 0.10 0.08 -0.04 2.70 2.88 1fc5A1 SER 242 H 0.03 0.32 -0.45 -0.55 8.46 7.81 1fc5A1 SER 242 HA 0.00 -0.01 0.35 -0.75 4.49 4.08 1fc5A1 SER 242 HB2 0.01 -0.10 0.07 -0.04 3.95 3.88 1fc5A1 SER 242 HB3 0.01 0.07 0.14 -0.04 3.93 4.11 1fc5A1 GLN 243 H 0.03 0.33 -0.27 -0.55 8.47 8.01 1fc5A1 GLN 243 HA 0.02 0.26 1.11 -0.75 4.36 4.99 1fc5A1 GLN 243 HB2 0.02 -0.05 0.19 -0.04 2.15 2.27 1fc5A1 GLN 243 HB3 0.01 -0.05 -0.04 -0.04 2.02 1.90 1fc5A1 GLN 243 HG2 0.02 0.17 0.05 -0.04 2.40 2.60 1fc5A1 GLN 243 HG3 0.03 0.04 -0.01 -0.04 2.39 2.40 1fc5A1 GLN 243 HE21 0.01 -0.07 -0.04 -0.04 6.97 6.83 1fc5A1 GLN 243 HE22 0.01 0.04 -0.04 -0.04 7.69 7.66 1fc5A1 ALA 244 H 0.03 0.45 -0.19 -0.55 8.40 8.14 1fc5A1 ALA 244 HA 0.04 0.05 0.60 -0.75 4.34 4.27 1fc5A1 ALA 244 HB3 0.05 0.04 -0.18 -0.04 1.41 1.28 1fc5A1 ASP 245 H 0.06 0.46 0.36 -0.55 8.40 8.74 1fc5A1 ASP 245 HA 0.06 0.20 0.82 -0.75 4.63 4.96 1fc5A1 ASP 245 HB2 0.09 0.06 0.19 -0.04 2.71 3.01 1fc5A1 ASP 245 HB3 0.13 0.00 0.17 -0.04 2.70 2.96 1fc5A1 VAL 246 H 0.09 0.37 0.30 -0.55 8.24 8.45 1fc5A1 VAL 246 HA 0.18 0.20 0.94 -0.75 4.13 4.70 1fc5A1 VAL 246 HB 0.10 -0.04 0.02 -0.04 2.12 2.16 1fc5A1 VAL 246 HG13 0.11 -0.01 -0.18 -0.04 0.97 0.85 1fc5A1 VAL 246 HG23 0.16 -0.00 -0.21 -0.04 0.95 0.86 1fc5A1 VAL 247 H 0.15 0.67 0.33 -0.55 8.24 8.84 1fc5A1 VAL 247 HA 0.10 0.24 1.00 -0.75 4.13 4.73 1fc5A1 VAL 247 HB 0.33 -0.00 0.01 -0.04 2.12 2.41 1fc5A1 VAL 247 HG13 0.29 -0.04 -0.27 -0.04 0.97 0.91 1fc5A1 VAL 247 HG23 0.15 -0.00 -0.37 -0.04 0.95 0.70 1fc5A1 ILE 248 H -0.01 0.73 0.34 -0.55 8.25 8.76 1fc5A1 ILE 248 HA -0.21 0.37 1.28 -0.75 4.18 4.86 1fc5A1 ILE 248 HB -0.02 -0.04 0.05 -0.04 1.89 1.84 1fc5A1 ILE 248 HG12 0.01 0.02 -0.15 -0.04 1.49 1.33 1fc5A1 ILE 248 HG13 0.03 -0.05 -0.42 -0.04 1.21 0.73 1fc5A1 ILE 248 HG23 -0.01 -0.02 -0.29 -0.04 0.93 0.56 1fc5A1 ILE 248 HD13 0.17 0.01 -0.15 -0.04 0.88 0.87 1fc5A1 SER 249 H -0.26 0.57 0.37 -0.55 8.46 8.59 1fc5A1 SER 249 HA -0.46 0.28 0.91 -0.75 4.49 4.46 1fc5A1 SER 249 HB2 -0.01 0.05 0.02 -0.04 3.95 3.96 1fc5A1 SER 249 HB3 0.02 0.02 0.26 -0.04 3.93 4.19 1fc5A1 SER 250 H -0.14 0.49 0.20 -0.55 8.46 8.46 1fc5A1 SER 250 HA -0.02 0.19 0.59 -0.75 4.49 4.50 1fc5A1 SER 250 HB2 -0.02 -0.09 -0.08 -0.04 3.95 3.72 1fc5A1 SER 250 HB3 -0.04 0.10 -0.09 -0.04 3.93 3.85 1fc5A1 GLY 251 H -0.02 0.00 -0.46 -0.55 8.43 7.40 1fc5A1 GLY 251 HA2 0.04 0.16 0.21 -0.51 4.01 3.91 1fc5A1 GLY 251 HA3 0.03 0.19 0.75 -0.51 4.01 4.47 1fc5A1 GLY 252 H 0.06 0.19 0.06 -0.55 8.43 8.19 1fc5A1 GLY 252 HA2 0.06 -0.01 0.37 -0.51 4.01 3.92 1fc5A1 GLY 252 HA3 0.07 0.30 0.99 -0.51 4.01 4.87 1fc5A1 VAL 253 H 0.08 0.15 -0.23 -0.55 8.24 7.69 1fc5A1 VAL 253 HA 0.05 0.07 0.83 -0.75 4.13 4.33 1fc5A1 VAL 253 HB 0.20 0.03 -0.03 -0.04 2.12 2.28 1fc5A1 VAL 253 HG13 0.20 0.05 -0.19 -0.04 0.97 0.99 1fc5A1 VAL 253 HG23 0.20 0.00 -0.17 -0.04 0.95 0.94 1fc5A1 SER 254 H 0.01 0.01 0.00 -0.55 8.46 7.93 1fc5A1 SER 254 HA 0.05 -0.03 0.28 -0.75 4.49 4.04 1fc5A1 SER 254 HB2 -0.05 -0.08 0.07 -0.04 3.95 3.85 1fc5A1 SER 254 HB3 -0.01 -0.01 0.01 -0.04 3.93 3.89 1fc5A1 VAL 255 H 0.09 0.05 0.03 -0.55 8.24 7.85 1fc5A1 VAL 255 HA 0.33 0.25 0.66 -0.75 4.13 4.61 1fc5A1 VAL 255 HB 0.16 0.01 -0.03 -0.04 2.12 2.22 1fc5A1 VAL 255 HG13 0.09 0.05 -0.38 -0.04 0.97 0.69 1fc5A1 VAL 255 HG23 0.11 -0.03 -0.06 -0.04 0.95 0.92 1fc5A1 GLY 256 H -0.09 0.07 -0.33 -0.55 8.43 7.53 1fc5A1 GLY 256 HA2 -0.37 0.10 0.24 -0.51 4.01 3.47 1fc5A1 GLY 256 HA3 -0.01 0.23 0.72 -0.51 4.01 4.43 1fc5A1 GLU 257 H -0.03 0.01 -0.04 -0.55 8.60 8.00 1fc5A1 GLU 257 HA -0.05 0.12 0.36 -0.75 4.29 3.96 1fc5A1 GLU 257 HB2 -0.02 -0.13 -0.01 -0.04 2.09 1.89 1fc5A1 GLU 257 HB3 -0.01 0.05 -0.06 -0.04 1.99 1.93 1fc5A1 GLU 257 HG2 0.01 0.09 0.01 -0.04 2.34 2.40 1fc5A1 GLU 257 HG3 0.01 -0.00 0.03 -0.04 2.34 2.33 1fc5A1 ALA 258 H -0.05 0.16 0.12 -0.55 8.40 8.08 1fc5A1 ALA 258 HA -0.11 0.16 0.73 -0.75 4.34 4.37 1fc5A1 ALA 258 HB3 -0.05 0.03 0.14 -0.04 1.41 1.48 1fc5A1 ASP 259 H -0.07 0.23 0.10 -0.55 8.40 8.11 1fc5A1 ASP 259 HA 0.03 0.28 0.82 -0.75 4.63 5.01 1fc5A1 ASP 259 HB2 0.09 -0.06 0.17 -0.04 2.71 2.86 1fc5A1 ASP 259 HB3 0.02 0.10 -0.09 -0.04 2.70 2.70 1fc5A1 TYR 260 H 0.25 0.20 0.14 -0.55 8.29 8.34 1fc5A1 TYR 260 HA -0.02 0.15 0.36 -0.75 4.56 4.29 1fc5A1 TYR 260 HB2 -0.01 0.06 0.11 -0.04 3.06 3.18 1fc5A1 TYR 260 HB3 -0.01 0.04 0.15 -0.04 2.98 3.13 1fc5A1 TYR 260 HD2 0.00 -0.00 -0.04 -0.04 7.15 7.07 1fc5A1 TYR 260 HE2 0.03 0.00 -0.15 -0.04 6.85 6.69 1fc5A1 THR 261 H -0.58 0.06 -0.25 -0.55 8.28 6.95 1fc5A1 THR 261 HA -0.47 0.14 0.45 -0.75 4.39 3.76 1fc5A1 THR 261 HB -0.14 0.08 0.05 -0.04 4.32 4.27 1fc5A1 THR 261 HG23 -0.69 0.06 0.02 -0.04 1.22 0.58 1fc5A1 LYS 262 H -0.14 0.14 -0.15 -0.55 8.42 7.72 1fc5A1 LYS 262 HA -0.03 0.09 0.34 -0.75 4.32 3.96 1fc5A1 LYS 262 HB2 -0.15 -0.02 0.13 -0.04 1.87 1.79 1fc5A1 LYS 262 HB3 -0.12 0.10 0.11 -0.04 1.79 1.85 1fc5A1 LYS 262 HG2 -0.15 0.03 -0.17 -0.04 1.46 1.12 1fc5A1 LYS 262 HG3 -0.27 -0.01 -0.02 -0.04 1.46 1.12 1fc5A1 LYS 262 HD2 -0.47 0.03 -0.22 -0.04 1.69 0.99 1fc5A1 LYS 262 HD3 -0.23 -0.08 -0.09 -0.04 1.68 1.24 1fc5A1 LYS 262 HE2 -0.26 -0.02 -0.07 -0.04 2.99 2.60 1fc5A1 LYS 262 HE3 -0.93 -0.01 -0.08 -0.04 2.99 1.93 1fc5A1 THR 263 H -0.07 0.17 -0.41 -0.55 8.28 7.42 1fc5A1 THR 263 HA -0.05 0.11 0.38 -0.75 4.39 4.08 1fc5A1 THR 263 HB -0.01 0.10 0.10 -0.04 4.32 4.47 1fc5A1 THR 263 HG23 -0.02 0.01 -0.10 -0.04 1.22 1.07 1fc5A1 ILE 264 H -0.07 0.24 -0.11 -0.55 8.25 7.76 1fc5A1 ILE 264 HA -0.07 0.06 0.38 -0.75 4.18 3.79 1fc5A1 ILE 264 HB -0.05 0.06 0.10 -0.04 1.89 1.96 1fc5A1 ILE 264 HG12 0.02 0.01 0.04 -0.04 1.49 1.52 1fc5A1 ILE 264 HG13 0.01 0.09 0.14 -0.04 1.21 1.41 1fc5A1 ILE 264 HG23 -0.02 -0.00 -0.11 -0.04 0.93 0.76 1fc5A1 ILE 264 HD13 0.13 -0.05 -0.01 -0.04 0.88 0.91 1fc5A1 LEU 265 H -0.16 0.47 -0.20 -0.55 8.37 7.93 1fc5A1 LEU 265 HA -0.63 0.02 0.25 -0.75 4.35 3.24 1fc5A1 LEU 265 HB2 -0.12 0.03 0.07 -0.04 1.64 1.58 1fc5A1 LEU 265 HB3 -0.09 0.08 -0.09 -0.04 1.64 1.50 1fc5A1 LEU 265 HG -0.28 -0.08 -0.11 -0.04 1.64 1.12 1fc5A1 LEU 265 HD13 0.02 -0.00 -0.17 -0.04 0.93 0.74 1fc5A1 LEU 265 HD23 -1.05 0.01 -0.17 -0.04 0.89 -0.36 1fc5A1 GLU 266 H -0.09 0.43 -0.19 -0.55 8.60 8.20 1fc5A1 GLU 266 HA -0.09 0.11 0.43 -0.75 4.29 3.98 1fc5A1 GLU 266 HB2 -0.04 0.06 0.15 -0.04 2.09 2.22 1fc5A1 GLU 266 HB3 -0.03 -0.01 0.03 -0.04 1.99 1.94 1fc5A1 GLU 266 HG2 0.06 0.02 0.06 -0.04 2.34 2.44 1fc5A1 GLU 266 HG3 0.13 -0.05 0.01 -0.04 2.34 2.38 1fc5A1 GLU 267 H -0.11 0.33 -0.28 -0.55 8.60 7.99 1fc5A1 GLU 267 HA -0.07 0.05 0.53 -0.75 4.29 4.04 1fc5A1 GLU 267 HB2 -0.09 0.05 0.10 -0.04 2.09 2.11 1fc5A1 GLU 267 HB3 -0.06 -0.06 0.05 -0.04 1.99 1.87 1fc5A1 GLU 267 HG2 -0.05 -0.04 0.01 -0.04 2.34 2.22 1fc5A1 GLU 267 HG3 -0.06 0.41 0.05 -0.04 2.34 2.69 1fc5A1 LEU 268 H -0.20 0.36 -0.23 -0.55 8.37 7.75 1fc5A1 LEU 268 HA -0.12 0.09 0.67 -0.75 4.35 4.22 1fc5A1 LEU 268 HB2 -0.39 0.10 0.05 -0.04 1.64 1.37 1fc5A1 LEU 268 HB3 -0.22 -0.10 0.05 -0.04 1.64 1.34 1fc5A1 LEU 268 HG -0.16 0.03 -0.01 -0.04 1.64 1.46 1fc5A1 LEU 268 HD13 -0.27 -0.04 -0.07 -0.04 0.93 0.51 1fc5A1 LEU 268 HD23 -0.06 -0.01 -0.02 -0.04 0.89 0.76 1fc5A1 GLY 269 H -0.18 0.31 -0.17 -0.55 8.43 7.85 1fc5A1 GLY 269 HA2 -0.14 0.10 0.48 -0.51 4.01 3.94 1fc5A1 GLY 269 HA3 -0.20 0.02 0.29 -0.51 4.01 3.61 1fc5A1 GLU 270 H -0.14 0.60 0.22 -0.55 8.60 8.73 1fc5A1 GLU 270 HA -0.08 0.13 0.83 -0.75 4.29 4.42 1fc5A1 GLU 270 HB2 -0.07 0.02 0.08 -0.04 2.09 2.09 1fc5A1 GLU 270 HB3 -0.08 -0.02 0.30 -0.04 1.99 2.15 1fc5A1 GLU 270 HG2 -0.02 -0.01 0.03 -0.04 2.34 2.31 1fc5A1 GLU 270 HG3 -0.03 -0.01 -0.08 -0.04 2.34 2.18 1fc5A1 ILE 271 H -0.12 0.23 0.05 -0.55 8.25 7.85 1fc5A1 ILE 271 HA -0.26 0.20 0.97 -0.75 4.18 4.34 1fc5A1 ILE 271 HB -0.29 -0.04 -0.14 -0.04 1.89 1.38 1fc5A1 ILE 271 HG12 -0.23 0.07 -0.48 -0.04 1.49 0.81 1fc5A1 ILE 271 HG13 -0.33 -0.06 -0.33 -0.04 1.21 0.45 1fc5A1 ILE 271 HG23 -0.72 -0.00 -0.29 -0.04 0.93 -0.13 1fc5A1 ILE 271 HD13 -0.21 0.03 -0.48 -0.04 0.88 0.18 1fc5A1 ALA 272 H -0.48 0.70 0.35 -0.55 8.40 8.42 1fc5A1 ALA 272 HA -0.25 0.11 0.91 -0.75 4.34 4.36 1fc5A1 ALA 272 HB3 -0.52 0.03 0.08 -0.04 1.41 0.96 1fc5A1 PHE 273 H -0.01 0.20 0.12 -0.55 8.34 8.10 1fc5A1 PHE 273 HA -0.17 0.20 1.00 -0.75 4.62 4.89 1fc5A1 PHE 273 HB2 -0.02 -0.01 0.12 -0.04 3.15 3.21 1fc5A1 PHE 273 HB3 -0.00 0.05 -0.16 -0.04 3.06 2.91 1fc5A1 PHE 273 HD2 -0.05 -0.02 -0.25 -0.04 7.28 6.92 1fc5A1 PHE 273 HE2 -0.05 0.12 -0.18 -0.04 7.38 7.23 1fc5A1 PHE 273 HZ -0.09 -0.01 -0.14 -0.04 7.32 7.03 1fc5A1 TRP 274 H 0.15 0.81 0.38 -0.55 7.97 8.76 1fc5A1 TRP 274 HA 0.12 0.20 1.01 -0.75 4.62 5.20 1fc5A1 TRP 274 HB2 0.20 0.06 0.09 -0.04 3.23 3.54 1fc5A1 TRP 274 HB3 0.11 -0.03 -0.02 -0.04 3.23 3.25 1fc5A1 TRP 274 HD1 0.09 0.05 -0.13 -0.04 7.22 7.19 1fc5A1 TRP 274 HE1 0.07 -0.00 -0.07 -0.04 10.20 10.16 1fc5A1 TRP 274 HE3 0.33 -0.03 -0.10 -0.04 7.59 7.75 1fc5A1 TRP 274 HZ2 0.07 -0.00 -0.03 -0.04 7.44 7.44 1fc5A1 TRP 274 HZ3 -0.02 0.06 -0.08 -0.04 7.13 7.05 1fc5A1 TRP 274 HH2 -0.10 0.07 -0.02 -0.04 7.19 7.10 1fc5A1 LYS 275 H 0.29 0.22 0.12 -0.55 8.42 8.49 1fc5A1 LYS 275 HA 0.17 0.14 0.74 -0.75 4.32 4.63 1fc5A1 LYS 275 HB2 0.13 0.04 0.23 -0.04 1.87 2.22 1fc5A1 LYS 275 HB3 0.10 0.02 0.05 -0.04 1.79 1.92 1fc5A1 LYS 275 HG2 0.13 -0.01 -0.06 -0.04 1.46 1.48 1fc5A1 LYS 275 HG3 0.16 0.01 -0.16 -0.04 1.46 1.42 1fc5A1 LYS 275 HD2 0.09 0.05 -0.01 -0.04 1.69 1.77 1fc5A1 LYS 275 HD3 0.08 -0.00 -0.04 -0.04 1.68 1.67 1fc5A1 LYS 275 HE2 0.07 -0.05 -0.05 -0.04 2.99 2.92 1fc5A1 LYS 275 HE3 0.08 0.01 -0.04 -0.04 2.99 3.00 1fc5A1 LEU 276 H 0.14 0.67 0.14 -0.55 8.37 8.78 1fc5A1 LEU 276 HA 0.00 0.09 0.60 -0.75 4.35 4.28 1fc5A1 LEU 276 HB2 0.04 0.01 0.00 -0.04 1.64 1.65 1fc5A1 LEU 276 HB3 -0.02 -0.07 -0.07 -0.04 1.64 1.45 1fc5A1 LEU 276 HG 0.19 0.08 -0.08 -0.04 1.64 1.80 1fc5A1 LEU 276 HD13 -0.08 -0.00 -0.11 -0.04 0.93 0.70 1fc5A1 LEU 276 HD23 -0.03 -0.00 -0.11 -0.04 0.89 0.71 1fc5A1 ALA 277 H -0.01 0.14 0.05 -0.55 8.40 8.03 1fc5A1 ALA 277 HA 0.03 0.22 0.70 -0.75 4.34 4.53 1fc5A1 ALA 277 HB3 0.00 0.01 0.15 -0.04 1.41 1.54 1fc5A1 ILE 278 H 0.04 0.47 -0.26 -0.55 8.25 7.95 1fc5A1 ILE 278 HA 0.10 0.24 0.97 -0.75 4.18 4.73 1fc5A1 ILE 278 HB 0.05 0.04 -0.01 -0.04 1.89 1.93 1fc5A1 ILE 278 HG12 0.02 -0.09 -0.28 -0.04 1.49 1.10 1fc5A1 ILE 278 HG13 0.03 0.09 -0.66 -0.04 1.21 0.63 1fc5A1 ILE 278 HG23 0.02 -0.04 -0.25 -0.04 0.93 0.62 1fc5A1 ILE 278 HD13 -0.06 -0.01 -0.16 -0.04 0.88 0.61 1fc5A1 LYS 279 H 0.16 0.44 0.20 -0.55 8.42 8.66 1fc5A1 LYS 279 HA 0.07 0.02 0.49 -0.75 4.32 4.15 1fc5A1 LYS 279 HB2 0.06 0.10 -0.27 -0.04 1.87 1.72 1fc5A1 LYS 279 HB3 0.07 -0.06 -0.08 -0.04 1.79 1.69 1fc5A1 LYS 279 HG2 0.06 0.01 -0.21 -0.04 1.46 1.28 1fc5A1 LYS 279 HG3 0.06 -0.09 0.05 -0.04 1.46 1.44 1fc5A1 LYS 279 HD2 0.04 0.06 -0.07 -0.04 1.69 1.68 1fc5A1 LYS 279 HD3 0.04 0.00 -0.08 -0.04 1.68 1.60 1fc5A1 LYS 279 HE2 0.05 -0.05 -0.02 -0.04 2.99 2.92 1fc5A1 LYS 279 HE3 0.03 -0.02 -0.04 -0.04 2.99 2.92 1fc5A1 PRO 280 HA 0.07 0.09 0.36 -0.51 4.44 4.45 1fc5A1 PRO 280 HB2 0.10 -0.12 0.00 -0.04 2.28 2.22 1fc5A1 PRO 280 HB3 0.09 0.06 0.06 -0.04 2.02 2.18 1fc5A1 PRO 280 HG2 0.10 0.02 -0.12 -0.04 2.03 1.98 1fc5A1 PRO 280 HG3 0.12 0.03 -0.04 -0.04 2.03 2.10 1fc5A1 PRO 280 HD2 0.10 0.18 0.42 -0.04 3.68 4.34 1fc5A1 PRO 280 HD3 0.10 0.13 0.08 -0.04 3.65 3.92 1fc5A1 GLY 281 H 0.08 0.03 0.13 -0.55 8.43 8.12 1fc5A1 GLY 281 HA2 0.09 -0.10 0.33 -0.51 4.01 3.82 1fc5A1 GLY 281 HA3 0.07 0.22 0.69 -0.51 4.01 4.49 1fc5A1 LYS 282 H 0.10 0.17 0.09 -0.55 8.42 8.23 1fc5A1 LYS 282 HA 0.08 0.12 0.36 -0.75 4.32 4.13 1fc5A1 LYS 282 HB2 0.07 0.28 0.24 -0.04 1.87 2.42 1fc5A1 LYS 282 HB3 0.09 -0.11 0.03 -0.04 1.79 1.76 1fc5A1 LYS 282 HG2 0.10 -0.16 -0.05 -0.04 1.46 1.31 1fc5A1 LYS 282 HG3 0.07 0.18 0.10 -0.04 1.46 1.77 1fc5A1 LYS 282 HD2 0.08 -0.05 -0.04 -0.04 1.69 1.64 1fc5A1 LYS 282 HD3 0.07 0.01 -0.04 -0.04 1.68 1.67 1fc5A1 LYS 282 HE2 0.05 0.06 0.00 -0.04 2.99 3.07 1fc5A1 LYS 282 HE3 0.06 -0.05 -0.01 -0.04 2.99 2.95 1fc5A1 PRO 283 HA 0.22 0.53 0.89 -0.51 4.44 5.57 1fc5A1 PRO 283 HB2 0.16 0.12 0.13 -0.04 2.28 2.65 1fc5A1 PRO 283 HB3 0.14 0.02 0.17 -0.04 2.02 2.30 1fc5A1 PRO 283 HG2 0.13 -0.04 0.12 -0.04 2.03 2.20 1fc5A1 PRO 283 HG3 0.10 -0.06 0.08 -0.04 2.03 2.12 1fc5A1 PRO 283 HD2 0.11 -0.09 0.20 -0.04 3.68 3.85 1fc5A1 PRO 283 HD3 0.10 0.15 0.13 -0.04 3.65 3.99 1fc5A1 PHE 284 H 0.30 0.46 0.36 -0.55 8.34 8.90 1fc5A1 PHE 284 HA 0.09 0.12 0.64 -0.75 4.62 4.72 1fc5A1 PHE 284 HB2 0.13 0.08 -0.15 -0.04 3.15 3.16 1fc5A1 PHE 284 HB3 0.27 -0.07 -0.01 -0.04 3.06 3.21 1fc5A1 PHE 284 HD2 0.25 -0.04 -0.03 -0.04 7.28 7.41 1fc5A1 PHE 284 HE2 0.06 -0.02 -0.12 -0.04 7.38 7.25 1fc5A1 PHE 284 HZ 0.02 -0.02 -0.05 -0.04 7.32 7.23 1fc5A1 ALA 285 H -0.62 0.47 0.34 -0.55 8.40 8.04 1fc5A1 ALA 285 HA -0.50 0.34 1.24 -0.75 4.34 4.67 1fc5A1 ALA 285 HB3 -0.23 -0.05 0.06 -0.04 1.41 1.15 1fc5A1 PHE 286 H -0.58 0.62 0.39 -0.55 8.34 8.22 1fc5A1 PHE 286 HA -0.34 0.38 0.89 -0.75 4.62 4.80 1fc5A1 PHE 286 HB2 -0.20 0.01 -0.09 -0.04 3.15 2.83 1fc5A1 PHE 286 HB3 -0.66 -0.05 0.04 -0.04 3.06 2.34 1fc5A1 PHE 286 HD2 -0.07 -0.06 -0.06 -0.04 7.28 7.05 1fc5A1 PHE 286 HE2 -0.07 -0.01 -0.08 -0.04 7.38 7.18 1fc5A1 PHE 286 HZ -0.68 0.01 -0.09 -0.04 7.32 6.52 1fc5A1 GLY 287 H -0.74 0.48 0.38 -0.55 8.43 8.00 1fc5A1 GLY 287 HA2 -0.28 0.11 0.56 -0.51 4.01 3.89 1fc5A1 GLY 287 HA3 -0.24 0.02 0.50 -0.51 4.01 3.78 1fc5A1 LYS 288 H -0.13 0.56 0.30 -0.55 8.42 8.60 1fc5A1 LYS 288 HA -0.29 0.17 1.16 -0.75 4.32 4.61 1fc5A1 LYS 288 HB2 -0.25 -0.01 0.06 -0.04 1.87 1.62 1fc5A1 LYS 288 HB3 -0.17 -0.09 0.24 -0.04 1.79 1.73 1fc5A1 LYS 288 HG2 -0.33 -0.09 0.00 -0.04 1.46 1.00 1fc5A1 LYS 288 HG3 -0.37 0.42 -0.12 -0.04 1.46 1.34 1fc5A1 LYS 288 HD2 -1.33 0.05 -0.01 -0.04 1.69 0.36 1fc5A1 LYS 288 HD3 -1.65 -0.05 -0.02 -0.04 1.68 -0.08 1fc5A1 LYS 288 HE2 -0.81 -0.03 -0.08 -0.04 2.99 2.03 1fc5A1 LYS 288 HE3 -0.43 -0.07 -0.03 -0.04 2.99 2.42 1fc5A1 LEU 289 H -0.23 0.62 0.31 -0.55 8.37 8.52 1fc5A1 LEU 289 HA -0.17 0.16 0.68 -0.75 4.35 4.26 1fc5A1 LEU 289 HB2 -0.08 0.07 -0.01 -0.04 1.64 1.58 1fc5A1 LEU 289 HB3 -0.08 -0.12 0.12 -0.04 1.64 1.51 1fc5A1 LEU 289 HG -0.04 -0.02 -0.29 -0.04 1.64 1.25 1fc5A1 LEU 289 HD13 0.10 -0.00 -0.19 -0.04 0.93 0.80 1fc5A1 LEU 289 HD23 -0.32 0.00 -0.23 -0.04 0.89 0.30 1fc5A1 SER 290 H -0.11 0.13 0.17 -0.55 8.46 8.11 1fc5A1 SER 290 HA -0.13 0.12 0.44 -0.75 4.49 4.17 1fc5A1 SER 290 HB2 -0.07 -0.05 0.12 -0.04 3.95 3.92 1fc5A1 SER 290 HB3 -0.07 0.00 0.05 -0.04 3.93 3.87 1fc5A1 ASN 291 H -0.09 -0.02 -0.09 -0.55 8.53 7.78 1fc5A1 ASN 291 HA -0.12 0.23 0.93 -0.75 4.76 5.04 1fc5A1 ASN 291 HB2 -0.04 0.11 -0.01 -0.04 2.88 2.90 1fc5A1 ASN 291 HB3 -0.05 0.04 0.19 -0.04 2.79 2.93 1fc5A1 ASN 291 HD21 -0.04 -0.04 -0.11 -0.04 7.03 6.80 1fc5A1 ASN 291 HD22 -0.03 -0.02 -0.15 -0.04 7.74 7.50 1fc5A1 SER 292 H -0.19 0.07 -0.11 -0.55 8.46 7.69 1fc5A1 SER 292 HA -0.17 0.21 0.60 -0.75 4.49 4.38 1fc5A1 SER 292 HB2 0.05 0.02 -0.40 -0.04 3.95 3.57 1fc5A1 SER 292 HB3 -0.00 0.43 -0.25 -0.04 3.93 4.07 1fc5A1 TRP 293 H 0.16 0.55 0.34 -0.55 7.97 8.48 1fc5A1 TRP 293 HA -0.11 0.16 0.96 -0.75 4.62 4.87 1fc5A1 TRP 293 HB2 0.02 0.01 0.19 -0.04 3.23 3.41 1fc5A1 TRP 293 HB3 -0.08 0.01 0.10 -0.04 3.23 3.21 1fc5A1 TRP 293 HD1 0.04 0.09 0.09 -0.04 7.22 7.39 1fc5A1 TRP 293 HE1 0.04 -0.01 0.03 -0.04 10.20 10.22 1fc5A1 TRP 293 HE3 -0.40 0.15 -0.00 -0.04 7.59 7.30 1fc5A1 TRP 293 HZ2 0.05 0.12 -0.04 -0.04 7.44 7.53 1fc5A1 TRP 293 HZ3 -0.05 -0.07 -0.13 -0.04 7.13 6.85 1fc5A1 TRP 293 HH2 0.06 0.03 -0.05 -0.04 7.19 7.19 1fc5A1 PHE 294 H 0.04 0.63 0.35 -0.55 8.34 8.81 1fc5A1 PHE 294 HA 0.02 0.30 1.15 -0.75 4.62 5.34 1fc5A1 PHE 294 HB2 -0.05 -0.01 -0.22 -0.04 3.15 2.82 1fc5A1 PHE 294 HB3 -0.18 -0.05 -0.11 -0.04 3.06 2.67 1fc5A1 PHE 294 HD2 -0.08 0.00 -0.27 -0.04 7.28 6.90 1fc5A1 PHE 294 HE2 -0.04 -0.06 -0.24 -0.04 7.38 7.00 1fc5A1 PHE 294 HZ 0.04 -0.11 -0.17 -0.04 7.32 7.05 1fc5A1 CYS 295 H -0.59 0.64 0.35 -0.55 8.50 8.34 1fc5A1 CYS 295 HA -0.46 0.30 1.02 -0.75 4.58 4.68 1fc5A1 CYS 295 HB2 -0.10 -0.02 0.10 -0.04 2.97 2.91 1fc5A1 CYS 295 HB3 0.01 -0.02 -0.01 -0.04 2.97 2.90 1fc5A1 GLY 296 H -0.76 0.68 0.27 -0.55 8.43 8.08 1fc5A1 GLY 296 HA2 -0.33 0.04 1.04 -0.51 4.01 4.24 1fc5A1 GLY 296 HA3 -0.23 -0.02 0.29 -0.51 4.01 3.55 1fc5A1 LEU 297 H -0.04 0.49 0.24 -0.55 8.37 8.52 1fc5A1 LEU 297 HA 0.17 0.21 0.84 -0.75 4.35 4.82 1fc5A1 LEU 297 HB2 0.06 -0.05 0.00 -0.04 1.64 1.62 1fc5A1 LEU 297 HB3 0.13 0.03 0.08 -0.04 1.64 1.84 1fc5A1 LEU 297 HG 0.06 -0.01 -0.11 -0.04 1.64 1.54 1fc5A1 LEU 297 HD13 0.12 -0.02 -0.07 -0.04 0.93 0.93 1fc5A1 LEU 297 HD23 0.30 0.02 -0.12 -0.04 0.89 1.04 1fc5A1 PRO 298 HA 0.10 -0.01 0.45 -0.51 4.44 4.46 1fc5A1 PRO 298 HB2 0.11 -0.15 0.01 -0.04 2.28 2.20 1fc5A1 PRO 298 HB3 0.13 0.11 0.11 -0.04 2.02 2.33 1fc5A1 PRO 298 HG2 0.12 -0.04 -0.26 -0.04 2.03 1.81 1fc5A1 PRO 298 HG3 0.14 0.10 -0.01 -0.04 2.03 2.22 1fc5A1 PRO 298 HD2 0.19 0.11 0.23 -0.04 3.68 4.17 1fc5A1 PRO 298 HD3 0.23 0.33 0.22 -0.04 3.65 4.39 1fc5A1 GLY 299 H 0.08 0.07 0.14 -0.55 8.43 8.17 1fc5A1 GLY 299 HA2 0.06 0.08 0.39 -0.51 4.01 4.03 1fc5A1 GLY 299 HA3 0.06 -0.03 0.33 -0.51 4.01 3.86 1fc5A1 ASN 300 H 0.08 0.01 -0.09 -0.55 8.53 7.99 1fc5A1 ASN 300 HA 0.09 0.13 0.44 -0.75 4.76 4.67 1fc5A1 ASN 300 HB2 0.09 0.03 0.13 -0.04 2.88 3.09 1fc5A1 ASN 300 HB3 0.11 -0.09 0.08 -0.04 2.79 2.85 1fc5A1 ASN 300 HD21 0.12 0.32 0.09 -0.04 7.03 7.52 1fc5A1 ASN 300 HD22 0.10 -0.01 0.07 -0.04 7.74 7.85 1fc5A1 PRO 301 HA 0.09 0.12 0.47 -0.51 4.44 4.61 1fc5A1 PRO 301 HB2 0.10 0.06 -0.02 -0.04 2.28 2.39 1fc5A1 PRO 301 HB3 -0.00 0.00 0.12 -0.04 2.02 2.10 1fc5A1 PRO 301 HG2 0.17 0.01 0.11 -0.04 2.03 2.29 1fc5A1 PRO 301 HG3 0.08 0.06 0.07 -0.04 2.03 2.19 1fc5A1 PRO 301 HD2 0.10 0.07 0.28 -0.04 3.68 4.09 1fc5A1 PRO 301 HD3 0.07 0.20 0.25 -0.04 3.65 4.12 1fc5A1 VAL 302 H 0.23 0.17 -0.06 -0.55 8.24 8.03 1fc5A1 VAL 302 HA 0.42 0.12 0.43 -0.75 4.13 4.35 1fc5A1 VAL 302 HB 0.19 -0.12 0.14 -0.04 2.12 2.28 1fc5A1 VAL 302 HG13 0.20 0.04 -0.04 -0.04 0.97 1.13 1fc5A1 VAL 302 HG23 0.25 0.01 0.12 -0.04 0.95 1.29 1fc5A1 SER 303 H 0.16 -0.01 -0.28 -0.55 8.46 7.78 1fc5A1 SER 303 HA 0.12 0.15 0.25 -0.75 4.49 4.26 1fc5A1 SER 303 HB2 0.11 0.04 -0.00 -0.04 3.95 4.06 1fc5A1 SER 303 HB3 0.10 0.03 -0.02 -0.04 3.93 4.00 1fc5A1 ALA 304 H 0.13 0.58 -0.22 -0.55 8.40 8.34 1fc5A1 ALA 304 HA 0.13 0.02 0.46 -0.75 4.34 4.20 1fc5A1 ALA 304 HB3 0.09 0.07 0.02 -0.04 1.41 1.56 1fc5A1 THR 305 H 0.16 0.51 -0.12 -0.55 8.28 8.27 1fc5A1 THR 305 HA 0.13 0.04 0.40 -0.75 4.39 4.21 1fc5A1 THR 305 HB 0.10 0.08 0.16 -0.04 4.32 4.62 1fc5A1 THR 305 HG23 -0.18 0.00 -0.13 -0.04 1.22 0.87 1fc5A1 LEU 306 H 0.17 0.51 -0.12 -0.55 8.37 8.38 1fc5A1 LEU 306 HA 0.13 0.04 0.41 -0.75 4.35 4.18 1fc5A1 LEU 306 HB2 0.17 0.01 0.09 -0.04 1.64 1.87 1fc5A1 LEU 306 HB3 0.05 0.04 0.07 -0.04 1.64 1.77 1fc5A1 LEU 306 HG -0.31 -0.03 -0.25 -0.04 1.64 1.00 1fc5A1 LEU 306 HD13 -0.53 -0.01 0.03 -0.04 0.93 0.38 1fc5A1 LEU 306 HD23 -0.14 0.04 -0.07 -0.04 0.89 0.68 1fc5A1 THR 307 H 0.08 0.45 -0.28 -0.55 8.28 7.98 1fc5A1 THR 307 HA -0.13 0.04 0.42 -0.75 4.39 3.97 1fc5A1 THR 307 HB 0.11 0.08 0.20 -0.04 4.32 4.66 1fc5A1 THR 307 HG23 -0.06 -0.02 -0.05 -0.04 1.22 1.06 1fc5A1 PHE 308 H 0.24 0.54 -0.13 -0.55 8.34 8.43 1fc5A1 PHE 308 HA 0.02 -0.04 0.44 -0.75 4.62 4.28 1fc5A1 PHE 308 HB2 0.04 -0.00 0.08 -0.04 3.15 3.23 1fc5A1 PHE 308 HB3 0.07 0.10 0.13 -0.04 3.06 3.32 1fc5A1 PHE 308 HD2 0.04 -0.01 -0.17 -0.04 7.28 7.10 1fc5A1 PHE 308 HE2 -0.02 0.01 -0.11 -0.04 7.38 7.22 1fc5A1 PHE 308 HZ -0.03 0.07 -0.07 -0.04 7.32 7.25 1fc5A1 TYR 309 H 0.34 0.48 -0.19 -0.55 8.29 8.38 1fc5A1 TYR 309 HA 0.06 0.01 0.34 -0.75 4.56 4.22 1fc5A1 TYR 309 HB2 0.23 0.11 0.12 -0.04 3.06 3.47 1fc5A1 TYR 309 HB3 0.07 0.09 0.09 -0.04 2.98 3.18 1fc5A1 TYR 309 HD2 0.12 0.03 -0.13 -0.04 7.15 7.14 1fc5A1 TYR 309 HE2 0.20 -0.02 -0.04 -0.04 6.85 6.95 1fc5A1 GLN 310 H -0.05 0.38 -0.23 -0.55 8.47 8.03 1fc5A1 GLN 310 HA -0.13 0.20 0.83 -0.75 4.36 4.51 1fc5A1 GLN 310 HB2 -0.29 0.04 0.03 -0.04 2.15 1.89 1fc5A1 GLN 310 HB3 -0.22 -0.05 0.05 -0.04 2.02 1.76 1fc5A1 GLN 310 HG2 -0.11 -0.01 -0.08 -0.04 2.40 2.16 1fc5A1 GLN 310 HG3 -0.82 -0.05 -0.03 -0.04 2.39 1.44 1fc5A1 GLN 310 HE21 0.28 0.02 -0.07 -0.04 6.97 7.16 1fc5A1 GLN 310 HE22 0.01 -0.03 -0.09 -0.04 7.69 7.53 1fc5A1 LEU 311 H -0.24 0.27 -0.11 -0.55 8.37 7.74 1fc5A1 LEU 311 HA -0.23 0.23 0.99 -0.75 4.35 4.59 1fc5A1 LEU 311 HB2 -0.45 0.13 0.13 -0.04 1.64 1.41 1fc5A1 LEU 311 HB3 -0.36 0.00 -0.08 -0.04 1.64 1.16 1fc5A1 LEU 311 HG -0.35 -0.05 -0.20 -0.04 1.64 0.99 1fc5A1 LEU 311 HD13 -0.86 -0.02 -0.08 -0.04 0.93 -0.07 1fc5A1 LEU 311 HD23 -0.24 0.03 -0.06 -0.04 0.89 0.59 1fc5A1 VAL 312 H -0.31 0.23 0.22 -0.55 8.24 7.84 1fc5A1 VAL 312 HA -0.17 0.07 0.48 -0.75 4.13 3.76 1fc5A1 VAL 312 HB -1.01 0.11 0.18 -0.04 2.12 1.36 1fc5A1 VAL 312 HG13 -0.17 -0.00 -0.10 -0.04 0.97 0.66 1fc5A1 VAL 312 HG23 0.06 -0.00 -0.00 -0.04 0.95 0.96 1fc5A1 GLN 313 H -0.55 0.47 -0.07 -0.55 8.47 7.78 1fc5A1 GLN 313 HA -0.35 0.02 0.36 -0.75 4.36 3.64 1fc5A1 GLN 313 HB2 -0.40 -0.04 0.08 -0.04 2.15 1.75 1fc5A1 GLN 313 HB3 -0.35 0.24 0.07 -0.04 2.02 1.94 1fc5A1 GLN 313 HG2 -0.22 -0.03 -0.20 -0.04 2.40 1.91 1fc5A1 GLN 313 HG3 -0.16 -0.03 -0.02 -0.04 2.39 2.13 1fc5A1 GLN 313 HE21 -1.39 -0.14 0.03 -0.04 6.97 5.42 1fc5A1 GLN 313 HE22 -0.76 0.49 0.17 -0.04 7.69 7.55 1fc5A1 PRO 314 HA -0.12 0.01 0.44 -0.51 4.44 4.26 1fc5A1 PRO 314 HB2 -0.12 0.07 -0.10 -0.04 2.28 2.09 1fc5A1 PRO 314 HB3 -0.12 -0.04 -0.03 -0.04 2.02 1.78 1fc5A1 PRO 314 HG2 -0.18 0.25 -0.09 -0.04 2.03 1.97 1fc5A1 PRO 314 HG3 -0.16 0.17 -0.11 -0.04 2.03 1.89 1fc5A1 PRO 314 HD2 -0.26 -0.11 -0.57 -0.04 3.68 2.69 1fc5A1 PRO 314 HD3 -0.22 0.17 -0.10 -0.04 3.65 3.46 1fc5A1 LEU 315 H -0.18 0.33 -0.50 -0.55 8.37 7.47 1fc5A1 LEU 315 HA -0.14 0.07 0.40 -0.75 4.35 3.93 1fc5A1 LEU 315 HB2 -0.15 0.11 0.11 -0.04 1.64 1.67 1fc5A1 LEU 315 HB3 -0.12 0.13 0.19 -0.04 1.64 1.80 1fc5A1 LEU 315 HG -0.07 -0.03 -0.24 -0.04 1.64 1.26 1fc5A1 LEU 315 HD13 -0.21 0.00 0.01 -0.04 0.93 0.69 1fc5A1 LEU 315 HD23 0.08 -0.03 -0.07 -0.04 0.89 0.83 1fc5A1 LEU 316 H -0.13 0.55 -0.14 -0.55 8.37 8.11 1fc5A1 LEU 316 HA -0.03 -0.01 0.41 -0.75 4.35 3.97 1fc5A1 LEU 316 HB2 -0.07 0.14 0.11 -0.04 1.64 1.78 1fc5A1 LEU 316 HB3 -0.01 -0.04 0.02 -0.04 1.64 1.56 1fc5A1 LEU 316 HG -0.10 0.31 0.06 -0.04 1.64 1.86 1fc5A1 LEU 316 HD13 0.04 -0.03 -0.08 -0.04 0.93 0.81 1fc5A1 LEU 316 HD23 0.03 -0.03 -0.09 -0.04 0.89 0.76 1fc5A1 ALA 317 H -0.09 0.33 -0.27 -0.55 8.40 7.83 1fc5A1 ALA 317 HA -0.04 0.03 0.41 -0.75 4.34 3.98 1fc5A1 ALA 317 HB3 -0.06 0.03 0.08 -0.04 1.41 1.42 1fc5A1 LYS 318 H -0.07 0.47 -0.18 -0.55 8.42 8.09 1fc5A1 LYS 318 HA -0.04 0.16 0.37 -0.75 4.32 4.07 1fc5A1 LYS 318 HB2 -0.06 -0.01 0.06 -0.04 1.87 1.81 1fc5A1 LYS 318 HB3 -0.07 0.08 0.07 -0.04 1.79 1.83 1fc5A1 LYS 318 HG2 -0.03 -0.04 -0.30 -0.04 1.46 1.04 1fc5A1 LYS 318 HG3 -0.03 -0.01 -0.01 -0.04 1.46 1.36 1fc5A1 LYS 318 HD2 -0.06 -0.06 -0.03 -0.04 1.69 1.50 1fc5A1 LYS 318 HD3 -0.08 0.01 -0.03 -0.04 1.68 1.54 1fc5A1 LYS 318 HE2 -0.02 -0.01 -0.13 -0.04 2.99 2.79 1fc5A1 LYS 318 HE3 -0.02 -0.10 -0.04 -0.04 2.99 2.79 1fc5A1 LEU 319 H -0.04 0.36 -0.25 -0.55 8.37 7.90 1fc5A1 LEU 319 HA 0.01 0.05 0.42 -0.75 4.35 4.07 1fc5A1 LEU 319 HB2 0.01 0.08 0.16 -0.04 1.64 1.84 1fc5A1 LEU 319 HB3 0.05 -0.09 0.04 -0.04 1.64 1.60 1fc5A1 LEU 319 HG -0.05 0.16 0.04 -0.04 1.64 1.74 1fc5A1 LEU 319 HD13 0.03 -0.04 -0.09 -0.04 0.93 0.79 1fc5A1 LEU 319 HD23 0.07 -0.01 0.01 -0.04 0.89 0.92 1fc5A1 SER 320 H -0.01 0.52 -0.18 -0.55 8.46 8.25 1fc5A1 SER 320 HA 0.01 0.02 0.43 -0.75 4.49 4.19 1fc5A1 SER 320 HB2 -0.00 -0.04 0.13 -0.04 3.95 4.00 1fc5A1 SER 320 HB3 -0.00 0.02 0.14 -0.04 3.93 4.04 1fc5A1 GLY 321 H -0.00 0.35 -0.70 -0.55 8.43 7.53 1fc5A1 GLY 321 HA2 0.00 0.04 0.24 -0.51 4.01 3.78 1fc5A1 GLY 321 HA3 0.00 0.12 0.65 -0.51 4.01 4.27 1fc5A1 ASN 322 H -0.02 0.23 -0.16 -0.55 8.53 8.03 1fc5A1 ASN 322 HA -0.02 0.12 0.48 -0.75 4.76 4.58 1fc5A1 ASN 322 HB2 -0.03 -0.01 0.04 -0.04 2.88 2.84 1fc5A1 ASN 322 HB3 -0.03 0.07 0.05 -0.04 2.79 2.84 1fc5A1 ASN 322 HD21 -0.03 -0.07 0.07 -0.04 7.03 6.95 1fc5A1 ASN 322 HD22 -0.03 -0.01 0.03 -0.04 7.74 7.67 1fc5A1 THR 323 H -0.01 0.35 0.31 -0.55 8.28 8.37 1fc5A1 THR 323 HA -0.01 0.17 0.56 -0.75 4.39 4.35 1fc5A1 THR 323 HB -0.01 -0.07 0.06 -0.04 4.32 4.26 1fc5A1 THR 323 HG23 -0.00 0.03 0.06 -0.04 1.22 1.27 1fc5A1 ALA 324 H -0.02 0.12 0.00 -0.55 8.40 7.95 1fc5A1 ALA 324 HA -0.01 0.09 0.67 -0.75 4.34 4.34 1fc5A1 ALA 324 HB3 -0.01 -0.02 0.09 -0.04 1.41 1.43 1fc5A1 SER 325 H -0.02 0.31 0.16 -0.55 8.46 8.37 1fc5A1 SER 325 HA -0.03 -0.01 0.56 -0.75 4.49 4.26 1fc5A1 SER 325 HB2 -0.04 0.05 -0.20 -0.04 3.95 3.73 1fc5A1 SER 325 HB3 -0.05 -0.09 -0.01 -0.04 3.93 3.74 1fc5A1 GLY 326 H -0.03 -0.15 0.20 -0.55 8.43 7.90 1fc5A1 GLY 326 HA2 -0.03 0.05 0.31 -0.51 4.01 3.82 1fc5A1 GLY 326 HA3 -0.02 0.09 0.48 -0.51 4.01 4.06 1fc5A1 LEU 327 H -0.02 -0.21 0.15 -0.55 8.37 7.74 1fc5A1 LEU 327 HA -0.03 -0.00 0.32 -0.75 4.35 3.89 1fc5A1 LEU 327 HB2 -0.00 0.49 0.42 -0.04 1.64 2.52 1fc5A1 LEU 327 HB3 0.04 0.06 0.21 -0.04 1.64 1.91 1fc5A1 LEU 327 HG -0.12 -0.09 -0.03 -0.04 1.64 1.36 1fc5A1 LEU 327 HD13 -0.09 -0.02 -0.14 -0.04 0.93 0.64 1fc5A1 LEU 327 HD23 -0.17 0.03 0.04 -0.04 0.89 0.75 1fc5A1 PRO 328 HA 0.07 -0.03 0.45 -0.51 4.44 4.42 1fc5A1 PRO 328 HB2 0.14 0.16 0.01 -0.04 2.28 2.55 1fc5A1 PRO 328 HB3 0.13 -0.05 0.09 -0.04 2.02 2.14 1fc5A1 PRO 328 HG2 0.23 0.04 0.03 -0.04 2.03 2.30 1fc5A1 PRO 328 HG3 0.29 0.01 0.04 -0.04 2.03 2.33 1fc5A1 PRO 328 HD2 0.07 0.12 0.21 -0.04 3.68 4.04 1fc5A1 PRO 328 HD3 0.07 0.05 0.15 -0.04 3.65 3.88 1fc5A1 ALA 329 H 0.06 0.01 0.15 -0.55 8.40 8.07 1fc5A1 ALA 329 HA 0.05 0.14 0.52 -0.75 4.34 4.30 1fc5A1 ALA 329 HB3 0.03 -0.01 0.09 -0.04 1.41 1.49 1fc5A1 ARG 330 H 0.04 0.11 0.20 -0.55 8.46 8.25 1fc5A1 ARG 330 HA 0.06 0.37 1.12 -0.75 4.34 5.13 1fc5A1 ARG 330 HB2 0.03 -0.08 0.07 -0.04 1.90 1.88 1fc5A1 ARG 330 HB3 0.03 -0.06 0.04 -0.04 1.80 1.77 1fc5A1 ARG 330 HG2 0.08 0.09 -0.17 -0.04 1.67 1.63 1fc5A1 ARG 330 HG3 0.07 0.06 -0.22 -0.04 1.67 1.54 1fc5A1 ARG 330 HD2 0.02 -0.05 -0.07 -0.04 3.22 3.08 1fc5A1 ARG 330 HD3 0.00 -0.07 -0.16 -0.04 3.22 2.95 1fc5A1 GLN 331 H 0.04 0.44 0.36 -0.55 8.47 8.76 1fc5A1 GLN 331 HA 0.04 0.14 0.87 -0.75 4.36 4.65 1fc5A1 GLN 331 HB2 0.06 0.04 0.06 -0.04 2.15 2.27 1fc5A1 GLN 331 HB3 0.04 0.05 -0.08 -0.04 2.02 1.98 1fc5A1 GLN 331 HG2 0.04 0.05 0.04 -0.04 2.40 2.50 1fc5A1 GLN 331 HG3 0.04 -0.03 -0.17 -0.04 2.39 2.19 1fc5A1 GLN 331 HE21 0.03 -0.01 -0.05 -0.04 6.97 6.90 1fc5A1 GLN 331 HE22 0.04 0.07 -0.07 -0.04 7.69 7.69 1fc5A1 ARG 332 H 0.08 0.14 0.19 -0.55 8.46 8.32 1fc5A1 ARG 332 HA 0.14 0.33 1.01 -0.75 4.34 5.07 1fc5A1 ARG 332 HB2 0.27 0.00 0.02 -0.04 1.90 2.15 1fc5A1 ARG 332 HB3 0.07 -0.03 0.02 -0.04 1.80 1.81 1fc5A1 ARG 332 HG2 -0.01 -0.01 0.10 -0.04 1.67 1.70 1fc5A1 ARG 332 HG3 0.21 0.01 -0.04 -0.04 1.67 1.81 1fc5A1 ARG 332 HD2 -0.31 -0.01 -0.07 -0.04 3.22 2.79 1fc5A1 ARG 332 HD3 -0.21 -0.00 -0.02 -0.04 3.22 2.94 1fc5A1 VAL 333 H 0.18 0.75 0.43 -0.55 8.24 9.04 1fc5A1 VAL 333 HA 0.09 0.10 0.69 -0.75 4.13 4.25 1fc5A1 VAL 333 HB -0.00 -0.03 -0.15 -0.04 2.12 1.90 1fc5A1 VAL 333 HG13 -0.09 0.09 -0.10 -0.04 0.97 0.83 1fc5A1 VAL 333 HG23 0.05 -0.02 -0.32 -0.04 0.95 0.62 1fc5A1 ARG 334 H -0.40 0.18 0.21 -0.55 8.46 7.89 1fc5A1 ARG 334 HA -0.52 0.32 0.81 -0.75 4.34 4.20 1fc5A1 ARG 334 HB2 -0.41 -0.08 0.06 -0.04 1.90 1.43 1fc5A1 ARG 334 HB3 -0.51 0.13 0.08 -0.04 1.80 1.46 1fc5A1 ARG 334 HG2 -2.34 -0.06 -0.08 -0.04 1.67 -0.85 1fc5A1 ARG 334 HG3 -0.92 -0.04 0.07 -0.04 1.67 0.73 1fc5A1 ARG 334 HD2 -0.85 0.40 0.07 -0.04 3.22 2.79 1fc5A1 ARG 334 HD3 -0.83 -0.08 -0.00 -0.04 3.22 2.27 1fc5A1 THR 335 H -0.21 0.42 0.16 -0.55 8.28 8.10 1fc5A1 THR 335 HA -0.11 0.18 0.96 -0.75 4.39 4.66 1fc5A1 THR 335 HB -0.08 0.02 -0.07 -0.04 4.32 4.15 1fc5A1 THR 335 HG23 -0.09 0.01 -0.09 -0.04 1.22 1.01 1fc5A1 ALA 336 H -0.09 0.55 0.21 -0.55 8.40 8.53 1fc5A1 ALA 336 HA -0.08 0.13 0.83 -0.75 4.34 4.47 1fc5A1 ALA 336 HB3 -0.07 0.01 -0.02 -0.04 1.41 1.29 1fc5A1 SER 337 H -0.07 0.17 -0.03 -0.55 8.46 8.00 1fc5A1 SER 337 HA -0.05 0.18 1.02 -0.75 4.49 4.89 1fc5A1 SER 337 HB2 -0.05 0.02 0.06 -0.04 3.95 3.93 1fc5A1 SER 337 HB3 -0.05 0.13 0.04 -0.04 3.93 4.00 1fc5A1 ARG 338 H -0.04 0.09 0.12 -0.55 8.46 8.07 1fc5A1 ARG 338 HA -0.04 0.11 0.45 -0.75 4.34 4.12 1fc5A1 ARG 338 HB2 -0.04 -0.04 0.10 -0.04 1.90 1.88 1fc5A1 ARG 338 HB3 -0.03 0.00 0.00 -0.04 1.80 1.73 1fc5A1 ARG 338 HG2 -0.03 -0.08 0.09 -0.04 1.67 1.60 1fc5A1 ARG 338 HG3 -0.03 -0.00 0.08 -0.04 1.67 1.68 1fc5A1 ARG 338 HD2 -0.02 -0.00 0.02 -0.04 3.22 3.18 1fc5A1 ARG 338 HD3 -0.03 -0.00 0.00 -0.04 3.22 3.16 1fc5A1 LEU 339 H -0.03 0.62 0.34 -0.55 8.37 8.75 1fc5A1 LEU 339 HA -0.04 0.11 0.86 -0.75 4.35 4.53 1fc5A1 LEU 339 HB2 -0.03 -0.06 0.09 -0.04 1.64 1.60 1fc5A1 LEU 339 HB3 -0.03 0.05 -0.02 -0.04 1.64 1.60 1fc5A1 LEU 339 HG -0.04 0.27 -0.30 -0.04 1.64 1.52 1fc5A1 LEU 339 HD13 -0.04 -0.01 -0.11 -0.04 0.93 0.73 1fc5A1 LEU 339 HD23 -0.04 0.01 -0.09 -0.04 0.89 0.72 1fc5A1 LYS 340 H -0.04 0.17 0.13 -0.55 8.42 8.13 1fc5A1 LYS 340 HA -0.02 0.09 0.85 -0.75 4.32 4.49 1fc5A1 LYS 340 HB2 -0.04 -0.03 0.09 -0.04 1.87 1.85 1fc5A1 LYS 340 HB3 -0.02 0.02 -0.02 -0.04 1.79 1.73 1fc5A1 LYS 340 HG2 -0.02 0.02 -0.01 -0.04 1.46 1.41 1fc5A1 LYS 340 HG3 -0.02 0.02 0.04 -0.04 1.46 1.45 1fc5A1 LYS 340 HD2 -0.03 0.01 -0.03 -0.04 1.69 1.60 1fc5A1 LYS 340 HD3 -0.04 -0.01 -0.07 -0.04 1.68 1.52 1fc5A1 LYS 340 HE2 -0.05 -0.02 -0.01 -0.04 2.99 2.87 1fc5A1 LYS 340 HE3 -0.03 0.01 -0.02 -0.04 2.99 2.91 1fc5A1 LYS 341 H -0.01 0.17 0.09 -0.55 8.42 8.12 1fc5A1 LYS 341 HA -0.01 0.11 0.64 -0.75 4.32 4.31 1fc5A1 LYS 341 HB2 -0.02 0.00 -0.35 -0.04 1.87 1.47 1fc5A1 LYS 341 HB3 -0.01 0.10 -0.59 -0.04 1.79 1.24 1fc5A1 LYS 341 HG2 -0.02 -0.05 -0.31 -0.04 1.46 1.04 1fc5A1 LYS 341 HG3 -0.01 0.20 -0.55 -0.04 1.46 1.06 1fc5A1 LYS 341 HD2 -0.00 -0.25 0.10 -0.04 1.69 1.50 1fc5A1 LYS 341 HD3 -0.01 -0.08 0.02 -0.04 1.68 1.57 1fc5A1 LYS 341 HE2 -0.01 -0.06 0.07 -0.04 2.99 2.95 1fc5A1 LYS 341 HE3 -0.03 -0.09 -0.09 -0.04 2.99 2.75 1fc5A1 THR 342 H 0.00 0.22 0.11 -0.55 8.28 8.06 1fc5A1 THR 342 HA -0.00 0.13 0.96 -0.75 4.39 4.72 1fc5A1 THR 342 HB 0.01 -0.01 0.07 -0.04 4.32 4.34 1fc5A1 THR 342 HG23 0.01 0.06 -0.05 -0.04 1.22 1.20 1fc5A1 PRO 343 HA -0.00 0.25 0.52 -0.51 4.44 4.70 1fc5A1 PRO 343 HB2 0.00 -0.05 0.01 -0.04 2.28 2.20 1fc5A1 PRO 343 HB3 -0.00 -0.01 0.03 -0.04 2.02 1.99 1fc5A1 PRO 343 HG2 -0.00 -0.05 -0.04 -0.04 2.03 1.90 1fc5A1 PRO 343 HG3 -0.00 0.13 -0.49 -0.04 2.03 1.63 1fc5A1 PRO 343 HD2 0.00 0.03 0.19 -0.04 3.68 3.86 1fc5A1 PRO 343 HD3 -0.00 0.10 0.25 -0.04 3.65 3.95 1fc5A1 GLY 344 H -0.00 0.51 0.35 -0.55 8.43 8.74 1fc5A1 GLY 344 HA2 0.00 -0.09 0.34 -0.51 4.01 3.75 1fc5A1 GLY 344 HA3 0.01 0.14 0.78 -0.51 4.01 4.43 1fc5A1 ARG 345 H 0.01 0.43 -0.01 -0.55 8.46 8.33 1fc5A1 ARG 345 HA 0.02 0.13 0.68 -0.75 4.34 4.42 1fc5A1 ARG 345 HB2 0.02 0.01 -0.19 -0.04 1.90 1.71 1fc5A1 ARG 345 HB3 0.04 -0.01 -0.50 -0.04 1.80 1.28 1fc5A1 ARG 345 HG2 0.03 0.01 -0.16 -0.04 1.67 1.51 1fc5A1 ARG 345 HG3 0.02 -0.02 -0.60 -0.04 1.67 1.04 1fc5A1 ARG 345 HD2 0.03 -0.05 -0.11 -0.04 3.22 3.05 1fc5A1 ARG 345 HD3 0.03 -0.06 -0.17 -0.04 3.22 2.98 1fc5A1 LEU 346 H 0.04 0.67 0.23 -0.55 8.37 8.76 1fc5A1 LEU 346 HA -0.04 0.21 0.52 -0.75 4.35 4.28 1fc5A1 LEU 346 HB2 0.01 -0.09 0.17 -0.04 1.64 1.69 1fc5A1 LEU 346 HB3 0.14 -0.00 0.25 -0.04 1.64 1.99 1fc5A1 LEU 346 HG -0.34 0.03 -0.23 -0.04 1.64 1.05 1fc5A1 LEU 346 HD13 -0.12 0.05 -0.16 -0.04 0.93 0.66 1fc5A1 LEU 346 HD23 0.10 -0.02 -0.03 -0.04 0.89 0.90 1fc5A1 ASP 347 H -0.05 0.47 0.18 -0.55 8.40 8.45 1fc5A1 ASP 347 HA 0.10 0.19 0.89 -0.75 4.63 5.06 1fc5A1 ASP 347 HB2 0.02 0.07 -0.03 -0.04 2.71 2.73 1fc5A1 ASP 347 HB3 -0.01 -0.04 0.23 -0.04 2.70 2.83 1fc5A1 PHE 348 H 0.40 0.54 0.27 -0.55 8.34 8.99 1fc5A1 PHE 348 HA -0.02 0.08 0.54 -0.75 4.62 4.47 1fc5A1 PHE 348 HB2 -0.15 0.05 0.24 -0.04 3.15 3.25 1fc5A1 PHE 348 HB3 -0.45 -0.02 0.07 -0.04 3.06 2.61 1fc5A1 PHE 348 HD2 -0.33 0.06 -0.03 -0.04 7.28 6.93 1fc5A1 PHE 348 HE2 -0.09 0.01 -0.08 -0.04 7.38 7.18 1fc5A1 PHE 348 HZ -0.08 -0.02 -0.08 -0.04 7.32 7.11 1fc5A1 GLN 349 H 0.05 0.58 0.33 -0.55 8.47 8.88 1fc5A1 GLN 349 HA 0.08 0.05 0.57 -0.75 4.36 4.30 1fc5A1 GLN 349 HB2 0.01 0.09 0.18 -0.04 2.15 2.38 1fc5A1 GLN 349 HB3 -0.00 -0.00 0.08 -0.04 2.02 2.05 1fc5A1 GLN 349 HG2 0.02 -0.06 0.04 -0.04 2.40 2.36 1fc5A1 GLN 349 HG3 0.02 0.05 -0.05 -0.04 2.39 2.37 1fc5A1 GLN 349 HE21 -0.02 0.15 0.02 -0.04 6.97 7.08 1fc5A1 GLN 349 HE22 -0.00 -0.02 0.05 -0.04 7.69 7.67 1fc5A1 ARG 350 H -0.04 0.09 0.23 -0.55 8.46 8.19 1fc5A1 ARG 350 HA -0.12 0.30 1.00 -0.75 4.34 4.76 1fc5A1 ARG 350 HB2 -0.21 -0.11 0.13 -0.04 1.90 1.66 1fc5A1 ARG 350 HB3 -0.26 0.10 0.07 -0.04 1.80 1.68 1fc5A1 ARG 350 HG2 -0.75 -0.05 -0.17 -0.04 1.67 0.67 1fc5A1 ARG 350 HG3 -0.41 0.10 -0.04 -0.04 1.67 1.28 1fc5A1 ARG 350 HD2 -0.19 0.04 -0.05 -0.04 3.22 2.98 1fc5A1 ARG 350 HD3 0.08 -0.03 -0.21 -0.04 3.22 3.02 1fc5A1 GLY 351 H -0.26 0.49 0.27 -0.55 8.43 8.39 1fc5A1 GLY 351 HA2 -0.12 -0.02 0.58 -0.51 4.01 3.94 1fc5A1 GLY 351 HA3 -0.12 0.07 0.25 -0.51 4.01 3.70 1fc5A1 VAL 352 H -0.11 0.72 0.17 -0.55 8.24 8.48 1fc5A1 VAL 352 HA -0.15 0.07 1.04 -0.75 4.13 4.34 1fc5A1 VAL 352 HB -0.08 -0.10 0.05 -0.04 2.12 1.96 1fc5A1 VAL 352 HG13 -0.07 0.05 -0.09 -0.04 0.97 0.82 1fc5A1 VAL 352 HG23 -0.09 0.03 -0.34 -0.04 0.95 0.51 1fc5A1 LEU 353 H -0.13 0.15 0.07 -0.55 8.37 7.92 1fc5A1 LEU 353 HA -0.07 0.13 0.61 -0.75 4.35 4.26 1fc5A1 LEU 353 HB2 -0.10 0.01 0.04 -0.04 1.64 1.55 1fc5A1 LEU 353 HB3 -0.05 0.03 -0.12 -0.04 1.64 1.46 1fc5A1 LEU 353 HG -0.08 -0.06 -0.21 -0.04 1.64 1.25 1fc5A1 LEU 353 HD13 -0.04 0.02 -0.12 -0.04 0.93 0.75 1fc5A1 LEU 353 HD23 -0.04 0.01 -0.23 -0.04 0.89 0.59 1fc5A1 GLN 354 H -0.05 0.47 0.36 -0.55 8.47 8.70 1fc5A1 GLN 354 HA -0.03 0.12 0.65 -0.75 4.36 4.34 1fc5A1 GLN 354 HB2 -0.05 0.02 -0.05 -0.04 2.15 2.03 1fc5A1 GLN 354 HB3 -0.03 -0.02 0.08 -0.04 2.02 2.01 1fc5A1 GLN 354 HG2 -0.04 0.04 -0.05 -0.04 2.40 2.31 1fc5A1 GLN 354 HG3 -0.05 -0.05 -1.05 -0.04 2.39 1.19 1fc5A1 GLN 354 HE21 -0.03 -0.04 -0.05 -0.04 6.97 6.81 1fc5A1 GLN 354 HE22 -0.03 0.02 -0.04 -0.04 7.69 7.60 1fc5A1 ARG 355 H -0.02 0.14 0.11 -0.55 8.46 8.13 1fc5A1 ARG 355 HA -0.02 0.12 0.42 -0.75 4.34 4.10 1fc5A1 ARG 355 HB2 -0.02 -0.03 0.07 -0.04 1.90 1.88 1fc5A1 ARG 355 HB3 -0.02 0.10 -0.15 -0.04 1.80 1.69 1fc5A1 ARG 355 HG2 -0.01 -0.00 -0.19 -0.04 1.67 1.42 1fc5A1 ARG 355 HG3 -0.01 -0.00 -0.05 -0.04 1.67 1.56 1fc5A1 ARG 355 HD2 -0.01 -0.00 -0.06 -0.04 3.22 3.11 1fc5A1 ARG 355 HD3 -0.01 -0.08 -0.06 -0.04 3.22 3.03 1fc5A1 ASN 356 H -0.03 0.24 0.16 -0.55 8.53 8.37 1fc5A1 ASN 356 HA -0.03 0.22 0.82 -0.75 4.76 5.01 1fc5A1 ASN 356 HB2 -0.04 -0.07 0.14 -0.04 2.88 2.87 1fc5A1 ASN 356 HB3 -0.05 0.13 0.03 -0.04 2.79 2.86 1fc5A1 ASN 356 HD21 -0.03 -0.05 0.04 -0.04 7.03 6.95 1fc5A1 ASN 356 HD22 -0.06 0.08 -0.02 -0.04 7.74 7.70 1fc5A1 ALA 357 H -0.02 0.17 0.13 -0.55 8.40 8.13 1fc5A1 ALA 357 HA -0.01 0.09 0.31 -0.75 4.34 3.98 1fc5A1 ALA 357 HB3 -0.02 0.01 0.09 -0.04 1.41 1.45 1fc5A1 ASP 358 H -0.02 -0.08 -0.48 -0.55 8.40 7.27 1fc5A1 ASP 358 HA -0.01 0.18 0.69 -0.75 4.63 4.73 1fc5A1 ASP 358 HB2 -0.01 -0.08 0.06 -0.04 2.71 2.63 1fc5A1 ASP 358 HB3 -0.00 0.04 -0.04 -0.04 2.70 2.66 1fc5A1 GLY 359 H -0.01 0.00 0.04 -0.55 8.43 7.92 1fc5A1 GLY 359 HA2 -0.01 0.05 0.25 -0.51 4.01 3.80 1fc5A1 GLY 359 HA3 -0.00 0.23 0.92 -0.51 4.01 4.66 1fc5A1 GLU 360 H -0.01 -0.04 0.15 -0.55 8.60 8.16 1fc5A1 GLU 360 HA 0.01 0.21 0.90 -0.75 4.29 4.66 1fc5A1 GLU 360 HB2 -0.01 -0.09 0.09 -0.04 2.09 2.04 1fc5A1 GLU 360 HB3 0.01 0.11 0.08 -0.04 1.99 2.15 1fc5A1 GLU 360 HG2 0.03 0.06 0.00 -0.04 2.34 2.39 1fc5A1 GLU 360 HG3 0.02 -0.03 -0.20 -0.04 2.34 2.08 1fc5A1 LEU 361 H -0.00 0.12 0.15 -0.55 8.37 8.10 1fc5A1 LEU 361 HA -0.03 0.36 0.56 -0.75 4.35 4.48 1fc5A1 LEU 361 HB2 -0.01 -0.02 0.06 -0.04 1.64 1.63 1fc5A1 LEU 361 HB3 -0.03 -0.02 -0.02 -0.04 1.64 1.54 1fc5A1 LEU 361 HG -0.00 -0.03 0.01 -0.04 1.64 1.58 1fc5A1 LEU 361 HD13 0.00 0.01 -0.05 -0.04 0.93 0.85 1fc5A1 LEU 361 HD23 -0.02 0.00 -0.29 -0.04 0.89 0.55 1fc5A1 GLU 362 H -0.05 0.67 0.42 -0.55 8.60 9.09 1fc5A1 GLU 362 HA -0.10 0.20 0.73 -0.75 4.29 4.36 1fc5A1 GLU 362 HB2 -0.11 -0.01 -0.04 -0.04 2.09 1.89 1fc5A1 GLU 362 HB3 -0.10 -0.00 -0.13 -0.04 1.99 1.72 1fc5A1 GLU 362 HG2 -0.06 0.04 -0.22 -0.04 2.34 2.06 1fc5A1 GLU 362 HG3 -0.06 -0.03 -0.12 -0.04 2.34 2.08 1fc5A1 VAL 363 H -0.09 0.45 0.21 -0.55 8.24 8.25 1fc5A1 VAL 363 HA -0.08 0.42 1.21 -0.75 4.13 4.94 1fc5A1 VAL 363 HB -0.07 -0.03 -0.23 -0.04 2.12 1.76 1fc5A1 VAL 363 HG13 -0.07 0.01 -0.18 -0.04 0.97 0.70 1fc5A1 VAL 363 HG23 -0.09 0.03 -0.39 -0.04 0.95 0.46 1fc5A1 THR 364 H -0.08 0.65 0.32 -0.55 8.28 8.62 1fc5A1 THR 364 HA -0.06 0.03 0.83 -0.75 4.39 4.43 1fc5A1 THR 364 HB -0.06 0.07 0.08 -0.04 4.32 4.37 1fc5A1 THR 364 HG23 -0.05 0.06 0.07 -0.04 1.22 1.26 1fc5A1 THR 365 H -0.05 0.08 0.14 -0.55 8.28 7.89 1fc5A1 THR 365 HA -0.07 0.23 0.72 -0.75 4.39 4.52 1fc5A1 THR 365 HB -0.05 0.07 0.09 -0.04 4.32 4.39 1fc5A1 THR 365 HG23 -0.04 -0.01 -0.07 -0.04 1.22 1.06 1fc5A1 THR 366 H -0.06 0.27 0.20 -0.55 8.28 8.14 1fc5A1 THR 366 HA -0.05 0.20 0.71 -0.75 4.39 4.50 1fc5A1 THR 366 HB -0.07 -0.05 0.01 -0.04 4.32 4.17 1fc5A1 THR 366 HG23 -0.12 0.04 -0.29 -0.04 1.22 0.80 1fc5A1 GLY 367 H -0.03 0.10 0.11 -0.55 8.43 8.06 1fc5A1 GLY 367 HA2 0.01 0.02 0.22 -0.51 4.01 3.75 1fc5A1 GLY 367 HA3 0.06 0.15 0.81 -0.51 4.01 4.53 1fc5A1 HIS 368 H 0.35 0.11 0.12 -0.55 8.41 8.44 1fc5A1 HIS 368 HA 0.02 0.06 0.44 -0.75 4.63 4.40 1fc5A1 HIS 368 HB2 0.10 0.02 0.09 -0.04 3.26 3.43 1fc5A1 HIS 368 HB3 0.13 -0.15 0.07 -0.04 3.20 3.22 1fc5A1 HIS 368 HD2 0.03 -0.02 0.04 -0.04 6.97 6.97 1fc5A1 HIS 368 HE1 0.02 0.04 0.01 -0.04 7.75 7.78 1fc5A1 GLN 369 H 0.06 0.10 0.19 -0.55 8.47 8.28 1fc5A1 GLN 369 HA 0.03 0.25 0.91 -0.75 4.36 4.79 1fc5A1 GLN 369 HB2 0.02 -0.02 0.10 -0.04 2.15 2.21 1fc5A1 GLN 369 HB3 0.02 0.05 0.20 -0.04 2.02 2.25 1fc5A1 GLN 369 HG2 -0.02 -0.01 0.03 -0.04 2.40 2.36 1fc5A1 GLN 369 HG3 -0.01 0.03 0.08 -0.04 2.39 2.45 1fc5A1 GLN 369 HE21 -0.06 -0.10 0.07 -0.04 6.97 6.84 1fc5A1 GLN 369 HE22 -0.03 0.63 0.05 -0.04 7.69 8.30 1fc5A1 GLY 370 H 0.22 -0.05 -0.13 -0.55 8.43 7.93 1fc5A1 GLY 370 HA2 0.12 0.12 0.39 -0.51 4.01 4.12 1fc5A1 GLY 370 HA3 0.25 -0.04 0.35 -0.51 4.01 4.06 1fc5A1 SER 371 H 0.17 0.15 0.17 -0.55 8.46 8.40 1fc5A1 SER 371 HA 0.15 0.33 0.89 -0.75 4.49 5.10 1fc5A1 SER 371 HB2 0.14 -0.14 0.20 -0.04 3.95 4.11 1fc5A1 SER 371 HB3 0.12 0.09 0.07 -0.04 3.93 4.17 1fc5A1 HIS 372 H 0.50 0.02 -0.17 -0.55 8.41 8.21 1fc5A1 HIS 372 HA 0.07 0.16 0.64 -0.75 4.63 4.75 1fc5A1 HIS 372 HB2 0.04 0.06 0.14 -0.04 3.26 3.46 1fc5A1 HIS 372 HB3 0.05 -0.03 0.08 -0.04 3.20 3.25 1fc5A1 HIS 372 HD2 0.00 0.04 -0.02 -0.04 6.97 6.94 1fc5A1 HIS 372 HE1 0.03 -0.06 -0.06 -0.04 7.75 7.62 1fc5A1 ILE 373 H 0.01 0.22 -0.41 -0.55 8.25 7.52 1fc5A1 ILE 373 HA -0.05 0.20 0.72 -0.75 4.18 4.29 1fc5A1 ILE 373 HB -0.09 -0.13 -0.02 -0.04 1.89 1.61 1fc5A1 ILE 373 HG12 -0.49 -0.17 -0.24 -0.04 1.49 0.55 1fc5A1 ILE 373 HG13 -0.07 0.13 -0.21 -0.04 1.21 1.01 1fc5A1 ILE 373 HG23 -0.40 0.03 -0.11 -0.04 0.93 0.41 1fc5A1 ILE 373 HD13 -0.07 0.02 -0.13 -0.04 0.88 0.65 1fc5A1 PHE 374 H 0.16 0.07 0.17 -0.55 8.34 8.19 1fc5A1 PHE 374 HA 0.16 0.27 0.90 -0.75 4.62 5.19 1fc5A1 PHE 374 HB2 0.07 -0.01 -0.07 -0.04 3.15 3.10 1fc5A1 PHE 374 HB3 0.06 0.03 0.01 -0.04 3.06 3.12 1fc5A1 PHE 374 HD2 0.12 -0.04 -0.13 -0.04 7.28 7.19 1fc5A1 PHE 374 HE2 -0.03 0.08 -0.08 -0.04 7.38 7.32 1fc5A1 PHE 374 HZ -0.20 0.09 -0.03 -0.04 7.32 7.13 1fc5A1 SER 375 H 0.10 -0.01 0.12 -0.55 8.46 8.12 1fc5A1 SER 375 HA 0.09 0.11 0.32 -0.75 4.49 4.26 1fc5A1 SER 375 HB2 0.02 0.08 0.13 -0.04 3.95 4.14 1fc5A1 SER 375 HB3 0.04 -0.02 0.15 -0.04 3.93 4.06 1fc5A1 SER 376 H -0.12 0.10 -0.59 -0.55 8.46 7.30 1fc5A1 SER 376 HA -0.12 0.07 0.42 -0.75 4.49 4.10 1fc5A1 SER 376 HB2 -0.21 -0.01 0.03 -0.04 3.95 3.72 1fc5A1 SER 376 HB3 -0.14 0.02 -0.03 -0.04 3.93 3.74 1fc5A1 PHE 377 H -0.22 0.46 -0.16 -0.55 8.34 7.87 1fc5A1 PHE 377 HA -0.34 0.10 0.49 -0.75 4.62 4.12 1fc5A1 PHE 377 HB2 -0.66 0.02 0.08 -0.04 3.15 2.55 1fc5A1 PHE 377 HB3 -0.60 0.06 -0.04 -0.04 3.06 2.44 1fc5A1 PHE 377 HD2 -1.53 0.05 0.04 -0.04 7.28 5.80 1fc5A1 PHE 377 HE2 -0.33 -0.03 -0.01 -0.04 7.38 6.97 1fc5A1 PHE 377 HZ -0.01 0.03 -0.01 -0.04 7.32 7.29 1fc5A1 SER 378 H 0.01 0.05 -0.23 -0.55 8.46 7.74 1fc5A1 SER 378 HA 0.09 0.18 0.54 -0.75 4.49 4.54 1fc5A1 SER 378 HB2 0.10 -0.06 0.06 -0.04 3.95 4.01 1fc5A1 SER 378 HB3 0.05 0.01 0.19 -0.04 3.93 4.13 1fc5A1 LEU 379 H -0.02 0.28 0.06 -0.55 8.37 8.15 1fc5A1 LEU 379 HA -0.01 0.02 0.38 -0.75 4.35 3.98 1fc5A1 LEU 379 HB2 -0.06 -0.04 0.08 -0.04 1.64 1.58 1fc5A1 LEU 379 HB3 -0.04 -0.02 0.02 -0.04 1.64 1.56 1fc5A1 LEU 379 HG -0.02 0.14 0.10 -0.04 1.64 1.82 1fc5A1 LEU 379 HD13 -0.02 -0.03 -0.02 -0.04 0.93 0.82 1fc5A1 LEU 379 HD23 -0.00 -0.01 0.01 -0.04 0.89 0.84 1fc5A1 GLY 380 H -0.08 0.24 -0.27 -0.55 8.43 7.77 1fc5A1 GLY 380 HA2 -0.15 0.01 0.42 -0.51 4.01 3.78 1fc5A1 GLY 380 HA3 -0.21 -0.01 0.34 -0.51 4.01 3.62 1fc5A1 ASN 381 H -0.39 0.25 0.41 -0.55 8.53 8.25 1fc5A1 ASN 381 HA -0.21 0.25 0.78 -0.75 4.76 4.83 1fc5A1 ASN 381 HB2 -0.10 -0.02 0.25 -0.04 2.88 2.97 1fc5A1 ASN 381 HB3 -0.08 0.15 0.00 -0.04 2.79 2.82 1fc5A1 ASN 381 HD21 -0.08 0.15 0.14 -0.04 7.03 7.19 1fc5A1 ASN 381 HD22 -0.06 0.08 0.04 -0.04 7.74 7.75 1fc5A1 CYS 382 H -1.09 0.28 0.28 -0.55 8.50 7.43 1fc5A1 CYS 382 HA -0.93 0.12 0.61 -0.75 4.58 3.63 1fc5A1 CYS 382 HB2 -0.17 -0.02 -0.26 -0.04 2.97 2.48 1fc5A1 CYS 382 HB3 -0.28 0.08 -0.36 -0.04 2.97 2.37 1fc5A1 PHE 383 H 0.03 0.55 0.16 -0.55 8.34 8.53 1fc5A1 PHE 383 HA -0.00 0.27 0.89 -0.75 4.62 5.03 1fc5A1 PHE 383 HB2 0.20 0.09 0.13 -0.04 3.15 3.53 1fc5A1 PHE 383 HB3 0.18 -0.02 -0.16 -0.04 3.06 3.02 1fc5A1 PHE 383 HD2 0.24 0.11 -0.18 -0.04 7.28 7.42 1fc5A1 PHE 383 HE2 -0.25 0.00 -0.08 -0.04 7.38 7.02 1fc5A1 PHE 383 HZ 0.07 -0.04 -0.07 -0.04 7.32 7.24 1fc5A1 ILE 384 H 0.12 1.00 0.19 -0.55 8.25 9.01 1fc5A1 ILE 384 HA -0.00 0.19 0.81 -0.75 4.18 4.42 1fc5A1 ILE 384 HB -0.01 -0.04 0.07 -0.04 1.89 1.87 1fc5A1 ILE 384 HG12 -0.05 0.01 -0.25 -0.04 1.49 1.16 1fc5A1 ILE 384 HG13 -0.05 -0.04 -0.38 -0.04 1.21 0.70 1fc5A1 ILE 384 HG23 -0.03 -0.01 -0.18 -0.04 0.93 0.67 1fc5A1 ILE 384 HD13 -0.06 0.00 -0.29 -0.04 0.88 0.50 1fc5A1 VAL 385 H -0.06 0.38 -0.02 -0.55 8.24 8.00 1fc5A1 VAL 385 HA -0.40 0.16 0.58 -0.75 4.13 3.72 1fc5A1 VAL 385 HB -0.16 -0.04 0.03 -0.04 2.12 1.91 1fc5A1 VAL 385 HG13 -0.58 -0.01 -0.24 -0.04 0.97 0.10 1fc5A1 VAL 385 HG23 -0.23 0.03 -0.22 -0.04 0.95 0.49 1fc5A1 LEU 386 H -0.16 0.54 0.19 -0.55 8.37 8.40 1fc5A1 LEU 386 HA -0.07 -0.02 0.59 -0.75 4.35 4.11 1fc5A1 LEU 386 HB2 -0.06 0.01 0.23 -0.04 1.64 1.79 1fc5A1 LEU 386 HB3 -0.04 0.05 -0.01 -0.04 1.64 1.60 1fc5A1 LEU 386 HG -0.05 0.13 -0.03 -0.04 1.64 1.65 1fc5A1 LEU 386 HD13 -0.03 -0.01 -0.05 -0.04 0.93 0.80 1fc5A1 LEU 386 HD23 -0.03 -0.01 -0.12 -0.04 0.89 0.68 1fc5A1 GLU 387 H -0.05 0.11 0.19 -0.55 8.60 8.30 1fc5A1 GLU 387 HA -0.06 0.02 0.35 -0.75 4.29 3.84 1fc5A1 GLU 387 HB2 -0.02 -0.01 0.08 -0.04 2.09 2.10 1fc5A1 GLU 387 HB3 -0.03 -0.08 0.00 -0.04 1.99 1.84 1fc5A1 GLU 387 HG2 -0.02 0.01 0.04 -0.04 2.34 2.32 1fc5A1 GLU 387 HG3 -0.04 0.04 0.08 -0.04 2.34 2.38 1fc5A1 ARG 388 H -0.03 0.09 0.12 -0.55 8.46 8.09 1fc5A1 ARG 388 HA -0.01 0.29 -0.07 -0.75 4.34 3.79 1fc5A1 ARG 388 HB2 -0.01 0.02 0.04 -0.04 1.90 1.91 1fc5A1 ARG 388 HB3 -0.02 -0.06 0.09 -0.04 1.80 1.77 1fc5A1 ARG 388 HG2 -0.01 -0.03 -0.28 -0.04 1.67 1.31 1fc5A1 ARG 388 HG3 -0.00 -0.05 -0.40 -0.04 1.67 1.18 1fc5A1 ARG 388 HD2 -0.01 0.01 -0.01 -0.04 3.22 3.17 1fc5A1 ARG 388 HD3 -0.01 -0.04 -0.00 -0.04 3.22 3.12 1fc5A1 ASP 389 H -0.02 0.05 -0.19 -0.55 8.40 7.70 1fc5A1 ASP 389 HA -0.01 0.08 1.00 -0.75 4.63 4.95 1fc5A1 ASP 389 HB2 -0.01 -0.01 0.06 -0.04 2.71 2.70 1fc5A1 ASP 389 HB3 -0.01 0.03 0.18 -0.04 2.70 2.86 1fc5A1 ARG 390 H -0.01 0.44 -0.40 -0.55 8.46 7.94 1fc5A1 ARG 390 HA -0.01 0.08 0.66 -0.75 4.34 4.32 1fc5A1 ARG 390 HB2 -0.01 -0.15 -0.03 -0.04 1.90 1.67 1fc5A1 ARG 390 HB3 -0.02 0.15 -0.06 -0.04 1.80 1.83 1fc5A1 ARG 390 HG2 -0.01 0.32 -0.08 -0.04 1.67 1.87 1fc5A1 ARG 390 HG3 -0.00 -0.08 0.04 -0.04 1.67 1.58 1fc5A1 ARG 390 HD2 -0.00 -0.07 0.01 -0.04 3.22 3.11 1fc5A1 ARG 390 HD3 -0.01 -0.04 -0.01 -0.04 3.22 3.11 1fc5A1 GLY 391 H -0.00 0.06 0.03 -0.55 8.43 7.98 1fc5A1 GLY 391 HA2 -0.01 0.29 0.62 -0.51 4.01 4.40 1fc5A1 GLY 391 HA3 -0.01 -0.05 0.35 -0.51 4.01 3.80 1fc5A1 ASN 392 H -0.01 0.08 0.20 -0.55 8.53 8.26 1fc5A1 ASN 392 HA -0.01 0.04 0.46 -0.75 4.76 4.49 1fc5A1 ASN 392 HB2 -0.01 -0.05 0.11 -0.04 2.88 2.88 1fc5A1 ASN 392 HB3 -0.02 0.13 0.14 -0.04 2.79 3.00 1fc5A1 ASN 392 HD21 -0.01 0.00 0.07 -0.04 7.03 7.06 1fc5A1 ASN 392 HD22 -0.01 -0.01 0.07 -0.04 7.74 7.75 1fc5A1 VAL 393 H -0.02 0.40 0.29 -0.55 8.24 8.35 1fc5A1 VAL 393 HA -0.01 0.13 0.95 -0.75 4.13 4.45 1fc5A1 VAL 393 HB -0.01 0.02 0.04 -0.04 2.12 2.13 1fc5A1 VAL 393 HG13 -0.02 0.05 -0.05 -0.04 0.97 0.91 1fc5A1 VAL 393 HG23 -0.03 0.02 -0.18 -0.04 0.95 0.71 1fc5A1 GLU 394 H -0.02 0.13 0.13 -0.55 8.60 8.29 1fc5A1 GLU 394 HA -0.03 0.11 0.75 -0.75 4.29 4.37 1fc5A1 GLU 394 HB2 -0.02 0.01 0.05 -0.04 2.09 2.10 1fc5A1 GLU 394 HB3 -0.02 0.03 0.09 -0.04 1.99 2.05 1fc5A1 GLU 394 HG2 -0.01 -0.01 -0.15 -0.04 2.34 2.13 1fc5A1 GLU 394 HG3 -0.01 0.03 -0.01 -0.04 2.34 2.31 1fc5A1 VAL 395 H -0.04 0.08 0.06 -0.55 8.24 7.79 1fc5A1 VAL 395 HA -0.07 0.14 0.24 -0.75 4.13 3.68 1fc5A1 VAL 395 HB -0.06 0.07 -0.04 -0.04 2.12 2.05 1fc5A1 VAL 395 HG13 -0.05 -0.04 -0.29 -0.04 0.97 0.55 1fc5A1 VAL 395 HG23 -0.04 -0.02 0.08 -0.04 0.95 0.94 1fc5A1 GLY 396 H -0.13 0.56 0.28 -0.55 8.43 8.60 1fc5A1 GLY 396 HA2 -0.17 -0.02 0.40 -0.51 4.01 3.70 1fc5A1 GLY 396 HA3 -0.09 0.14 0.85 -0.51 4.01 4.40 1fc5A1 GLU 397 H -0.07 0.29 -0.26 -0.55 8.60 8.00 1fc5A1 GLU 397 HA 0.02 0.02 0.34 -0.75 4.29 3.92 1fc5A1 GLU 397 HB2 -0.01 0.05 -0.02 -0.04 2.09 2.06 1fc5A1 GLU 397 HB3 0.06 -0.02 0.16 -0.04 1.99 2.16 1fc5A1 GLU 397 HG2 0.01 -0.01 -0.00 -0.04 2.34 2.29 1fc5A1 GLU 397 HG3 -0.02 0.29 0.02 -0.04 2.34 2.58 1fc5A1 TRP 398 H 0.30 0.09 0.19 -0.55 7.97 8.00 1fc5A1 TRP 398 HA -0.02 0.22 0.79 -0.75 4.62 4.86 1fc5A1 TRP 398 HB2 -0.02 -0.05 0.08 -0.04 3.23 3.20 1fc5A1 TRP 398 HB3 -0.02 0.02 -0.02 -0.04 3.23 3.17 1fc5A1 TRP 398 HD1 -0.02 -0.07 0.01 -0.04 7.22 7.11 1fc5A1 TRP 398 HE1 -0.01 -0.01 -0.03 -0.04 10.20 10.10 1fc5A1 TRP 398 HE3 -0.02 -0.02 -0.29 -0.04 7.59 7.23 1fc5A1 TRP 398 HZ2 -0.01 -0.02 -0.02 -0.04 7.44 7.35 1fc5A1 TRP 398 HZ3 -0.01 0.14 -0.14 -0.04 7.13 7.08 1fc5A1 TRP 398 HH2 -0.01 -0.00 -0.02 -0.04 7.19 7.12 1fc5A1 VAL 399 H 0.14 0.72 0.37 -0.55 8.24 8.93 1fc5A1 VAL 399 HA 0.06 0.10 0.70 -0.75 4.13 4.24 1fc5A1 VAL 399 HB -0.00 0.01 -0.01 -0.04 2.12 2.08 1fc5A1 VAL 399 HG13 -0.01 -0.01 -0.33 -0.04 0.97 0.58 1fc5A1 VAL 399 HG23 -0.02 0.03 -0.28 -0.04 0.95 0.64 1fc5A1 GLU 400 H 0.01 0.18 0.13 -0.55 8.60 8.38 1fc5A1 GLU 400 HA 0.05 0.24 0.84 -0.75 4.29 4.67 1fc5A1 GLU 400 HB2 -0.03 0.10 0.13 -0.04 2.09 2.25 1fc5A1 GLU 400 HB3 0.00 0.05 -0.00 -0.04 1.99 2.00 1fc5A1 GLU 400 HG2 0.02 -0.12 -0.13 -0.04 2.34 2.08 1fc5A1 GLU 400 HG3 -0.01 0.01 -0.01 -0.04 2.34 2.29 1fc5A1 VAL 401 H 0.03 0.57 0.38 -0.55 8.24 8.68 1fc5A1 VAL 401 HA 0.02 0.26 1.08 -0.75 4.13 4.74 1fc5A1 VAL 401 HB -0.02 -0.04 -0.08 -0.04 2.12 1.94 1fc5A1 VAL 401 HG13 -0.02 -0.02 -0.35 -0.04 0.97 0.55 1fc5A1 VAL 401 HG23 0.02 0.05 -0.06 -0.04 0.95 0.91 1fc5A1 GLU 402 H 0.09 0.58 0.23 -0.55 8.60 8.95 1fc5A1 GLU 402 HA 0.12 0.33 0.96 -0.75 4.29 4.94 1fc5A1 GLU 402 HB2 0.16 -0.05 -0.16 -0.04 2.09 2.00 1fc5A1 GLU 402 HB3 0.35 -0.12 0.14 -0.04 1.99 2.32 1fc5A1 GLU 402 HG2 0.33 0.06 -0.21 -0.04 2.34 2.48 1fc5A1 GLU 402 HG3 0.19 0.19 -0.15 -0.04 2.34 2.53 1fc5A1 PRO 403 HA -0.08 0.04 0.67 -0.51 4.44 4.56 1fc5A1 PRO 403 HB2 0.07 0.14 0.02 -0.04 2.28 2.47 1fc5A1 PRO 403 HB3 0.01 -0.05 0.12 -0.04 2.02 2.06 1fc5A1 PRO 403 HG2 0.10 0.05 0.08 -0.04 2.03 2.22 1fc5A1 PRO 403 HG3 0.05 -0.01 0.04 -0.04 2.03 2.07 1fc5A1 PRO 403 HD2 0.08 0.33 0.22 -0.04 3.68 4.27 1fc5A1 PRO 403 HD3 0.03 0.01 -0.04 -0.04 3.65 3.62 1fc5A1 PHE 404 H -0.07 0.43 0.25 -0.55 8.34 8.39 1fc5A1 PHE 404 HA 0.20 -0.01 0.39 -0.75 4.62 4.45 1fc5A1 PHE 404 HB2 0.06 0.05 0.08 -0.04 3.15 3.31 1fc5A1 PHE 404 HB3 0.25 -0.02 0.03 -0.04 3.06 3.29 1fc5A1 PHE 404 HD2 -0.13 0.10 -0.08 -0.04 7.28 7.14 1fc5A1 PHE 404 HE2 -1.49 0.12 -0.22 -0.04 7.38 5.76 1fc5A1 PHE 404 HZ -0.97 -0.03 -0.09 -0.04 7.32 6.19 1fc5A1 ASN 405 H 0.50 0.04 0.15 -0.55 8.53 8.68 1fc5A1 ASN 405 HA 0.20 0.21 0.63 -0.75 4.76 5.05 1fc5A1 ASN 405 HB2 0.14 -0.07 0.20 -0.04 2.88 3.11 1fc5A1 ASN 405 HB3 0.22 0.11 0.13 -0.04 2.79 3.21 1fc5A1 ASN 405 HD21 0.02 0.05 -0.01 -0.04 7.03 7.05 1fc5A1 ASN 405 HD22 0.03 0.06 0.04 -0.04 7.74 7.82 1fc5A1 ALA 406 H 0.11 0.18 0.12 -0.55 8.40 8.26 1fc5A1 ALA 406 HA 0.09 0.12 0.35 -0.75 4.34 4.15 1fc5A1 ALA 406 HB3 0.06 0.03 0.09 -0.04 1.41 1.55 1fc5A1 LEU 407 H 0.05 0.02 -0.50 -0.55 8.37 7.39 1fc5A1 LEU 407 HA -0.13 0.13 0.43 -0.75 4.35 4.03 1fc5A1 LEU 407 HB2 -0.31 -0.05 -0.06 -0.04 1.64 1.18 1fc5A1 LEU 407 HB3 -0.50 0.03 -0.02 -0.04 1.64 1.12 1fc5A1 LEU 407 HG 0.01 -0.08 -0.07 -0.04 1.64 1.46 1fc5A1 LEU 407 HD13 0.07 0.01 -0.09 -0.04 0.93 0.89 1fc5A1 LEU 407 HD23 -0.05 0.02 -0.15 -0.04 0.89 0.67 1fc5A1 PHE 408 H 0.08 0.27 -0.38 -0.55 8.34 7.76 1fc5A1 PHE 408 HA -0.01 0.20 0.65 -0.75 4.62 4.70 1fc5A1 PHE 408 HB2 -0.08 0.01 -0.00 -0.04 3.15 3.03 1fc5A1 PHE 408 HB3 -0.04 0.14 0.03 -0.04 3.06 3.15 1fc5A1 PHE 408 HD2 -0.36 -0.01 -0.07 -0.04 7.28 6.80 1fc5A1 PHE 408 HE2 -0.60 -0.03 -0.08 -0.04 7.38 6.62 1fc5A1 PHE 408 HZ -0.51 -0.02 -0.09 -0.04 7.32 6.65