============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 4 1.000 -56.043 -20.027 -77.598 -99.200 -91.000 PHE 30 1.000 -37.886 -37.424 -70.307 -99.200 -91.000 HIS 71 0.900 -46.048 -36.114 -55.077 -99.200 -91.000 PHE 80 1.000 -34.479 -51.773 -68.431 -99.200 -91.000 TYR 84 0.840 -41.872 -43.544 -85.589 -99.200 -91.000 TRP 95 1.040 -32.533 -34.324 -72.446 -99.200 -91.000 TRP6 95 1.020 -33.833 -32.366 -72.249 -99.200 -91.000 PHE 104 1.000 -32.798 -49.199 -64.414 -99.200 -91.000 HIS 125 0.900 -28.579 -35.221 -77.055 -99.200 -91.000 TYR 142 0.840 -37.138 -48.210 -81.535 -99.200 -91.000 HIS 155 0.900 -10.753 -32.623 -70.680 -99.200 -91.000 PHE 197 1.000 -34.230 -33.887 -59.635 -99.200 -91.000 TYR 226 0.840 -34.287 -28.285 -57.666 -99.200 -91.000 PHE 238 1.000 -48.123 -14.096 -70.212 -99.200 -91.000 TRP 279 1.040 -40.593 -6.974 -57.756 -99.200 -91.000 TRP6 279 1.020 -40.330 -4.918 -58.908 -99.200 -91.000 HIS 285 0.900 -44.391 5.536 -67.807 -99.200 -91.000 HIS 299 0.900 -28.669 -17.582 -70.267 -99.200 -91.000 PHE 302 1.000 -33.832 -11.902 -78.244 -99.200 -91.000 PHE 310 1.000 -37.605 -8.750 -77.812 -99.200 -91.000 PHE 322 1.000 -29.807 -6.418 -88.532 -99.200 -91.000 PHE 328 1.000 -33.373 -24.693 -82.954 -99.200 -91.000 PHE 332 1.000 -36.127 -16.327 -89.528 -99.200 -91.000 HIS 334 0.900 -41.572 -16.304 -86.473 -99.200 -91.000 HIS 344 0.900 -46.122 -3.325 -94.911 -99.200 -91.000 HIS 355 0.900 -38.722 -2.702 -94.248 -99.200 -91.000 TYR 393 0.840 -51.759 -29.638 -82.860 -99.200 -91.000 HIS 394 0.900 -48.254 -27.480 -83.644 -99.200 -91.000 TYR 399 0.840 -45.958 -19.894 -74.471 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3issJ1 MET 1 HA 0.01 -0.14 0.21 -0.75 4.52 3.85 3issJ1 MET 1 HB2 0.00 0.07 0.06 -0.04 2.15 2.25 3issJ1 MET 1 HB3 0.02 -0.03 0.05 -0.04 2.03 2.02 3issJ1 MET 1 HG2 -0.01 0.02 0.04 -0.04 2.63 2.63 3issJ1 MET 1 HG3 0.02 0.03 0.02 -0.04 2.56 2.59 3issJ1 MET 1 HE3 0.01 0.02 0.01 -0.04 2.10 2.10 3issJ1 ASP 2 H -0.01 0.02 0.09 -0.55 8.40 7.95 3issJ1 ASP 2 HA -0.04 0.29 0.62 -0.75 4.63 4.76 3issJ1 ASP 2 HB2 -0.07 -0.17 0.05 -0.04 2.71 2.48 3issJ1 ASP 2 HB3 -0.13 0.03 0.04 -0.04 2.70 2.61 3issJ1 LYS 3 H -0.06 0.55 0.41 -0.55 8.42 8.76 3issJ1 LYS 3 HA -0.12 0.11 0.84 -0.75 4.32 4.39 3issJ1 LYS 3 HB2 0.00 -0.08 -0.03 -0.04 1.87 1.72 3issJ1 LYS 3 HB3 0.01 0.07 -0.08 -0.04 1.79 1.75 3issJ1 LYS 3 HG2 -0.01 -0.13 -0.03 -0.04 1.46 1.25 3issJ1 LYS 3 HG3 -0.01 0.18 -0.44 -0.04 1.46 1.15 3issJ1 LYS 3 HD2 0.01 -0.08 -0.09 -0.04 1.69 1.49 3issJ1 LYS 3 HD3 0.01 -0.00 -0.11 -0.04 1.68 1.54 3issJ1 LYS 3 HE2 0.01 -0.06 -0.04 -0.04 2.99 2.86 3issJ1 LYS 3 HE3 0.00 0.14 -0.04 -0.04 2.99 3.05 3issJ1 PHE 4 H 0.01 0.51 0.29 -0.55 8.34 8.60 3issJ1 PHE 4 HA 0.01 0.34 1.12 -0.75 4.62 5.33 3issJ1 PHE 4 HB2 -0.01 -0.07 0.17 -0.04 3.15 3.21 3issJ1 PHE 4 HB3 -0.00 0.10 -0.06 -0.04 3.06 3.05 3issJ1 PHE 4 HD2 -0.01 0.11 -0.06 -0.04 7.28 7.29 3issJ1 PHE 4 HE2 -0.00 -0.03 -0.09 -0.04 7.38 7.21 3issJ1 PHE 4 HZ 0.02 -0.11 -0.07 -0.04 7.32 7.11 3issJ1 ARG 5 H 0.16 0.63 0.32 -0.55 8.46 9.01 3issJ1 ARG 5 HA 0.07 0.26 1.06 -0.75 4.34 4.98 3issJ1 ARG 5 HB2 0.05 -0.05 0.05 -0.04 1.90 1.91 3issJ1 ARG 5 HB3 0.06 -0.06 0.13 -0.04 1.80 1.89 3issJ1 ARG 5 HG2 0.03 0.05 -0.43 -0.04 1.67 1.27 3issJ1 ARG 5 HG3 0.03 0.05 -0.06 -0.04 1.67 1.65 3issJ1 ARG 5 HD2 0.03 -0.05 -0.10 -0.04 3.22 3.06 3issJ1 ARG 5 HD3 0.02 0.04 -0.12 -0.04 3.22 3.12 3issJ1 VAL 6 H 0.03 0.72 0.35 -0.55 8.24 8.79 3issJ1 VAL 6 HA -0.01 0.29 1.14 -0.75 4.13 4.79 3issJ1 VAL 6 HB 0.00 -0.05 0.04 -0.04 2.12 2.08 3issJ1 VAL 6 HG13 -0.03 0.06 -0.35 -0.04 0.97 0.60 3issJ1 VAL 6 HG23 -0.02 -0.04 -0.26 -0.04 0.95 0.59 3issJ1 GLN 7 H -0.01 0.68 0.33 -0.55 8.47 8.93 3issJ1 GLN 7 HA -0.00 0.27 1.08 -0.75 4.36 4.96 3issJ1 GLN 7 HB2 -0.01 -0.05 0.18 -0.04 2.15 2.24 3issJ1 GLN 7 HB3 -0.00 0.05 0.03 -0.04 2.02 2.05 3issJ1 GLN 7 HG2 0.00 -0.11 -0.37 -0.04 2.40 1.89 3issJ1 GLN 7 HG3 0.00 -0.06 -0.09 -0.04 2.39 2.20 3issJ1 GLN 7 HE21 0.01 -0.02 -0.07 -0.04 6.97 6.84 3issJ1 GLN 7 HE22 0.01 -0.05 -0.09 -0.04 7.69 7.51 3issJ1 GLY 8 H -0.00 0.63 0.36 -0.55 8.43 8.87 3issJ1 GLY 8 HA2 -0.01 0.13 0.65 -0.51 4.01 4.27 3issJ1 GLY 8 HA3 -0.01 0.22 0.27 -0.51 4.01 3.99 3issJ1 PRO 9 HA -0.01 0.23 0.32 -0.51 4.44 4.46 3issJ1 PRO 9 HB2 -0.01 0.00 -0.03 -0.04 2.28 2.21 3issJ1 PRO 9 HB3 -0.01 0.19 -0.01 -0.04 2.02 2.16 3issJ1 PRO 9 HG2 -0.00 -0.04 0.08 -0.04 2.03 2.02 3issJ1 PRO 9 HG3 -0.00 -0.01 0.07 -0.04 2.03 2.05 3issJ1 PRO 9 HD2 -0.00 0.01 0.52 -0.04 3.68 4.17 3issJ1 PRO 9 HD3 -0.00 0.02 0.14 -0.04 3.65 3.76 3issJ1 THR 10 H -0.01 0.43 0.34 -0.55 8.28 8.49 3issJ1 THR 10 HA -0.01 0.04 0.81 -0.75 4.39 4.48 3issJ1 THR 10 HB -0.01 0.08 -0.07 -0.04 4.32 4.27 3issJ1 THR 10 HG23 -0.02 0.00 -0.11 -0.04 1.22 1.06 3issJ1 LYS 11 H -0.01 0.13 0.14 -0.55 8.42 8.13 3issJ1 LYS 11 HA -0.01 0.18 0.86 -0.75 4.32 4.60 3issJ1 LYS 11 HB2 -0.01 0.09 0.05 -0.04 1.87 1.96 3issJ1 LYS 11 HB3 -0.01 -0.09 0.17 -0.04 1.79 1.82 3issJ1 LYS 11 HG2 -0.01 -0.13 -0.18 -0.04 1.46 1.10 3issJ1 LYS 11 HG3 -0.01 0.04 -0.31 -0.04 1.46 1.15 3issJ1 LYS 11 HD2 -0.01 0.31 -0.15 -0.04 1.69 1.80 3issJ1 LYS 11 HD3 -0.00 -0.09 -0.01 -0.04 1.68 1.53 3issJ1 LYS 11 HE2 -0.01 -0.15 -0.01 -0.04 2.99 2.77 3issJ1 LYS 11 HE3 -0.00 0.08 0.07 -0.04 2.99 3.09 3issJ1 LEU 12 H -0.01 0.17 0.14 -0.55 8.37 8.12 3issJ1 LEU 12 HA -0.01 0.40 0.56 -0.75 4.35 4.54 3issJ1 LEU 12 HB2 0.01 -0.02 -0.04 -0.04 1.64 1.54 3issJ1 LEU 12 HB3 0.02 -0.07 -0.09 -0.04 1.64 1.46 3issJ1 LEU 12 HG -0.01 0.13 -0.06 -0.04 1.64 1.67 3issJ1 LEU 12 HD13 0.01 -0.01 -0.08 -0.04 0.93 0.79 3issJ1 LEU 12 HD23 -0.01 0.01 -0.31 -0.04 0.89 0.54 3issJ1 GLN 13 H -0.01 0.73 0.46 -0.55 8.47 9.09 3issJ1 GLN 13 HA -0.02 0.17 0.72 -0.75 4.36 4.48 3issJ1 GLN 13 HB2 -0.02 -0.05 0.22 -0.04 2.15 2.25 3issJ1 GLN 13 HB3 -0.02 -0.11 0.05 -0.04 2.02 1.90 3issJ1 GLN 13 HG2 -0.01 0.22 -0.06 -0.04 2.40 2.50 3issJ1 GLN 13 HG3 -0.02 -0.02 -0.05 -0.04 2.39 2.25 3issJ1 GLN 13 HE21 -0.01 -0.05 -0.00 -0.04 6.97 6.87 3issJ1 GLN 13 HE22 -0.01 0.07 0.01 -0.04 7.69 7.72 3issJ1 GLY 14 H -0.03 0.45 0.41 -0.55 8.43 8.72 3issJ1 GLY 14 HA2 -0.04 -0.04 0.41 -0.51 4.01 3.84 3issJ1 GLY 14 HA3 -0.04 0.29 1.04 -0.51 4.01 4.78 3issJ1 GLU 15 H -0.06 0.30 0.25 -0.55 8.60 8.54 3issJ1 GLU 15 HA -0.06 0.09 0.86 -0.75 4.29 4.43 3issJ1 GLU 15 HB2 -0.05 0.07 0.22 -0.04 2.09 2.29 3issJ1 GLU 15 HB3 -0.06 -0.03 -0.01 -0.04 1.99 1.86 3issJ1 GLU 15 HG2 -0.06 -0.00 0.02 -0.04 2.34 2.25 3issJ1 GLU 15 HG3 -0.06 -0.00 -0.16 -0.04 2.34 2.07 3issJ1 VAL 16 H -0.08 0.58 0.40 -0.55 8.24 8.60 3issJ1 VAL 16 HA -0.16 0.16 0.77 -0.75 4.13 4.13 3issJ1 VAL 16 HB -0.43 0.15 -0.22 -0.04 2.12 1.58 3issJ1 VAL 16 HG13 -0.25 -0.02 -0.14 -0.04 0.97 0.52 3issJ1 VAL 16 HG23 -0.63 -0.01 -0.13 -0.04 0.95 0.14 3issJ1 THR 17 H -0.10 0.20 0.14 -0.55 8.28 7.97 3issJ1 THR 17 HA -0.02 0.14 1.03 -0.75 4.39 4.78 3issJ1 THR 17 HB -0.03 -0.02 0.11 -0.04 4.32 4.34 3issJ1 THR 17 HG23 -0.00 0.02 -0.19 -0.04 1.22 1.01 3issJ1 ILE 18 H 0.02 0.71 0.25 -0.55 8.25 8.67 3issJ1 ILE 18 HA 0.06 -0.06 0.46 -0.75 4.18 3.90 3issJ1 ILE 18 HB 0.04 0.29 0.06 -0.04 1.89 2.25 3issJ1 ILE 18 HG12 0.05 0.18 -0.09 -0.04 1.49 1.59 3issJ1 ILE 18 HG13 0.08 -0.12 -0.15 -0.04 1.21 0.97 3issJ1 ILE 18 HG23 0.07 -0.00 -0.04 -0.04 0.93 0.91 3issJ1 ILE 18 HD13 0.11 -0.03 -0.26 -0.04 0.88 0.66 3issJ1 SER 19 H 0.08 0.01 0.21 -0.55 8.46 8.21 3issJ1 SER 19 HA 0.03 0.19 0.63 -0.75 4.49 4.58 3issJ1 SER 19 HB2 0.06 -0.11 0.13 -0.04 3.95 3.99 3issJ1 SER 19 HB3 0.03 -0.02 0.15 -0.04 3.93 4.05 3issJ1 GLY 20 H 0.01 0.13 0.07 -0.55 8.43 8.10 3issJ1 GLY 20 HA2 0.01 0.16 0.40 -0.51 4.01 4.06 3issJ1 GLY 20 HA3 0.00 0.47 0.40 -0.51 4.01 4.37 3issJ1 ALA 21 H 0.00 0.78 0.12 -0.55 8.40 8.76 3issJ1 ALA 21 HA -0.01 -0.09 0.44 -0.75 4.34 3.94 3issJ1 ALA 21 HB3 -0.00 0.02 -0.06 -0.04 1.41 1.33 3issJ1 LYS 22 H -0.02 0.19 0.27 -0.55 8.42 8.30 3issJ1 LYS 22 HA 0.00 0.15 0.45 -0.75 4.32 4.18 3issJ1 LYS 22 HB2 -0.04 0.13 0.15 -0.04 1.87 2.06 3issJ1 LYS 22 HB3 -0.05 -0.12 0.19 -0.04 1.79 1.78 3issJ1 LYS 22 HG2 0.02 -0.05 -0.30 -0.04 1.46 1.09 3issJ1 LYS 22 HG3 0.01 0.02 -0.00 -0.04 1.46 1.44 3issJ1 LYS 22 HD2 -0.07 0.17 0.14 -0.04 1.69 1.88 3issJ1 LYS 22 HD3 -0.09 -0.08 0.04 -0.04 1.68 1.51 3issJ1 LYS 22 HE2 0.01 0.05 -0.02 -0.04 2.99 2.98 3issJ1 LYS 22 HE3 -0.04 -0.03 -0.08 -0.04 2.99 2.80 3issJ1 ASN 23 H 0.01 0.03 -0.19 -0.55 8.53 7.83 3issJ1 ASN 23 HA 0.12 0.18 0.39 -0.75 4.76 4.70 3issJ1 ASN 23 HB2 0.04 -0.07 0.04 -0.04 2.88 2.85 3issJ1 ASN 23 HB3 0.11 0.03 0.10 -0.04 2.79 3.00 3issJ1 ASN 23 HD21 0.03 0.02 -0.02 -0.04 7.03 7.01 3issJ1 ASN 23 HD22 0.04 -0.05 0.00 -0.04 7.74 7.70 3issJ1 ALA 24 H 0.01 0.27 -0.53 -0.55 8.40 7.60 3issJ1 ALA 24 HA -0.05 0.18 0.82 -0.75 4.34 4.55 3issJ1 ALA 24 HB3 -0.01 0.02 0.07 -0.04 1.41 1.44 3issJ1 ALA 25 H -0.01 0.57 0.07 -0.55 8.40 8.48 3issJ1 ALA 25 HA -0.09 0.06 0.35 -0.75 4.34 3.90 3issJ1 ALA 25 HB3 -0.02 0.04 0.08 -0.04 1.41 1.46 3issJ1 LEU 26 H 0.06 0.35 -0.18 -0.55 8.37 8.06 3issJ1 LEU 26 HA 0.09 0.07 0.25 -0.75 4.35 4.00 3issJ1 LEU 26 HB2 0.25 0.00 0.04 -0.04 1.64 1.90 3issJ1 LEU 26 HB3 0.58 -0.00 -0.14 -0.04 1.64 2.04 3issJ1 LEU 26 HG 0.28 0.06 -0.08 -0.04 1.64 1.86 3issJ1 LEU 26 HD13 0.08 -0.00 -0.18 -0.04 0.93 0.79 3issJ1 LEU 26 HD23 0.20 -0.03 -0.09 -0.04 0.89 0.92 3issJ1 PRO 27 HA -0.57 0.08 0.38 -0.51 4.44 3.82 3issJ1 PRO 27 HB2 -0.43 0.08 -0.09 -0.04 2.28 1.81 3issJ1 PRO 27 HB3 -1.22 -0.02 0.02 -0.04 2.02 0.76 3issJ1 PRO 27 HG2 -0.21 0.08 0.07 -0.04 2.03 1.93 3issJ1 PRO 27 HG3 -0.48 -0.08 0.00 -0.04 2.03 1.43 3issJ1 PRO 27 HD2 -0.08 0.36 -0.64 -0.04 3.68 3.28 3issJ1 PRO 27 HD3 0.11 -0.08 -0.23 -0.04 3.65 3.41 3issJ1 ILE 28 H -0.21 0.50 -0.32 -0.55 8.25 7.68 3issJ1 ILE 28 HA -0.34 0.07 0.46 -0.75 4.18 3.61 3issJ1 ILE 28 HB -0.32 0.09 0.06 -0.04 1.89 1.67 3issJ1 ILE 28 HG12 -0.49 0.02 -0.06 -0.04 1.49 0.92 3issJ1 ILE 28 HG13 -0.26 -0.03 -0.05 -0.04 1.21 0.83 3issJ1 ILE 28 HG23 -1.26 0.00 -0.23 -0.04 0.93 -0.60 3issJ1 ILE 28 HD13 -0.18 -0.04 -0.25 -0.04 0.88 0.38 3issJ1 LEU 29 H -0.19 0.65 -0.04 -0.55 8.37 8.25 3issJ1 LEU 29 HA -0.20 0.03 0.35 -0.75 4.35 3.78 3issJ1 LEU 29 HB2 -0.23 0.09 0.10 -0.04 1.64 1.57 3issJ1 LEU 29 HB3 -0.42 -0.01 -0.13 -0.04 1.64 1.04 3issJ1 LEU 29 HG -0.16 0.01 -0.05 -0.04 1.64 1.39 3issJ1 LEU 29 HD13 -0.15 0.03 -0.03 -0.04 0.93 0.74 3issJ1 LEU 29 HD23 -0.13 -0.03 -0.10 -0.04 0.89 0.58 3issJ1 PHE 30 H 0.02 0.29 -0.46 -0.55 8.34 7.63 3issJ1 PHE 30 HA 0.05 0.10 0.47 -0.75 4.62 4.48 3issJ1 PHE 30 HB2 -0.01 0.03 0.02 -0.04 3.15 3.14 3issJ1 PHE 30 HB3 0.10 0.11 -0.16 -0.04 3.06 3.07 3issJ1 PHE 30 HD2 0.17 0.15 -0.10 -0.04 7.28 7.46 3issJ1 PHE 30 HE2 0.14 -0.06 -0.11 -0.04 7.38 7.31 3issJ1 PHE 30 HZ 0.09 -0.07 -0.10 -0.04 7.32 7.20 3issJ1 ALA 31 H 0.01 0.35 -0.18 -0.55 8.40 8.02 3issJ1 ALA 31 HA 0.09 0.06 0.47 -0.75 4.34 4.21 3issJ1 ALA 31 HB3 0.10 0.00 0.08 -0.04 1.41 1.55 3issJ1 ALA 32 H 0.06 0.36 -0.45 -0.55 8.40 7.82 3issJ1 ALA 32 HA 0.23 0.03 0.34 -0.75 4.34 4.19 3issJ1 ALA 32 HB3 0.06 0.05 0.01 -0.04 1.41 1.49 3issJ1 LEU 33 H 0.12 0.31 -0.56 -0.55 8.37 7.70 3issJ1 LEU 33 HA 0.14 0.02 0.34 -0.75 4.35 4.09 3issJ1 LEU 33 HB2 0.18 0.14 0.03 -0.04 1.64 1.95 3issJ1 LEU 33 HB3 0.23 0.01 -0.02 -0.04 1.64 1.83 3issJ1 LEU 33 HG 0.14 -0.03 0.04 -0.04 1.64 1.75 3issJ1 LEU 33 HD13 0.25 -0.01 0.02 -0.04 0.93 1.16 3issJ1 LEU 33 HD23 0.12 -0.01 -0.01 -0.04 0.89 0.94 3issJ1 LEU 34 H 0.10 0.41 -0.59 -0.55 8.37 7.75 3issJ1 LEU 34 HA 0.04 0.11 0.54 -0.75 4.35 4.28 3issJ1 LEU 34 HB2 0.03 0.07 0.03 -0.04 1.64 1.73 3issJ1 LEU 34 HB3 -0.01 -0.05 -0.00 -0.04 1.64 1.54 3issJ1 LEU 34 HG 0.07 -0.07 -0.01 -0.04 1.64 1.60 3issJ1 LEU 34 HD13 0.02 -0.03 -0.01 -0.04 0.93 0.86 3issJ1 LEU 34 HD23 0.03 0.00 -0.06 -0.04 0.89 0.82 3issJ1 ALA 35 H 0.07 0.41 -0.17 -0.55 8.40 8.16 3issJ1 ALA 35 HA -0.01 0.04 0.29 -0.75 4.34 3.91 3issJ1 ALA 35 HB3 0.03 0.01 0.13 -0.04 1.41 1.54 3issJ1 GLU 36 H -0.01 0.41 0.32 -0.55 8.60 8.78 3issJ1 GLU 36 HA 0.03 0.18 0.80 -0.75 4.29 4.54 3issJ1 GLU 36 HB2 -0.01 0.06 0.18 -0.04 2.09 2.27 3issJ1 GLU 36 HB3 0.00 -0.12 0.18 -0.04 1.99 2.01 3issJ1 GLU 36 HG2 -0.02 0.09 -0.08 -0.04 2.34 2.29 3issJ1 GLU 36 HG3 -0.03 0.14 0.10 -0.04 2.34 2.50 3issJ1 GLU 37 H 0.01 0.23 -0.14 -0.55 8.60 8.15 3issJ1 GLU 37 HA 0.02 0.18 0.76 -0.75 4.29 4.49 3issJ1 GLU 37 HB2 0.00 -0.10 -0.07 -0.04 2.09 1.89 3issJ1 GLU 37 HB3 0.01 0.02 0.12 -0.04 1.99 2.10 3issJ1 GLU 37 HG2 -0.00 -0.04 -0.08 -0.04 2.34 2.18 3issJ1 GLU 37 HG3 0.00 -0.04 0.02 -0.04 2.34 2.29 3issJ1 PRO 38 HA 0.06 0.17 0.60 -0.51 4.44 4.76 3issJ1 PRO 38 HB2 0.05 -0.03 -0.00 -0.04 2.28 2.26 3issJ1 PRO 38 HB3 0.06 0.03 0.07 -0.04 2.02 2.13 3issJ1 PRO 38 HG2 0.03 0.01 0.07 -0.04 2.03 2.10 3issJ1 PRO 38 HG3 0.03 0.02 0.09 -0.04 2.03 2.12 3issJ1 PRO 38 HD2 0.02 0.07 0.20 -0.04 3.68 3.94 3issJ1 PRO 38 HD3 0.03 0.18 0.19 -0.04 3.65 4.01 3issJ1 VAL 39 H 0.09 0.59 0.45 -0.55 8.24 8.82 3issJ1 VAL 39 HA 0.09 0.14 1.06 -0.75 4.13 4.67 3issJ1 VAL 39 HB 0.10 0.15 -0.08 -0.04 2.12 2.25 3issJ1 VAL 39 HG13 0.14 0.00 -0.02 -0.04 0.97 1.05 3issJ1 VAL 39 HG23 0.25 -0.03 -0.07 -0.04 0.95 1.06 3issJ1 GLU 40 H 0.09 0.68 0.42 -0.55 8.60 9.25 3issJ1 GLU 40 HA -0.12 0.28 1.17 -0.75 4.29 4.85 3issJ1 GLU 40 HB2 0.06 0.01 -0.03 -0.04 2.09 2.09 3issJ1 GLU 40 HB3 0.03 -0.04 0.18 -0.04 1.99 2.11 3issJ1 GLU 40 HG2 -0.16 -0.04 -0.37 -0.04 2.34 1.72 3issJ1 GLU 40 HG3 -0.75 0.03 -0.11 -0.04 2.34 1.47 3issJ1 ILE 41 H -0.12 0.68 0.35 -0.55 8.25 8.61 3issJ1 ILE 41 HA 0.03 0.27 1.14 -0.75 4.18 4.86 3issJ1 ILE 41 HB -0.10 -0.04 0.16 -0.04 1.89 1.88 3issJ1 ILE 41 HG12 -0.34 -0.05 -0.14 -0.04 1.49 0.92 3issJ1 ILE 41 HG13 -0.07 0.06 -0.14 -0.04 1.21 1.01 3issJ1 ILE 41 HG23 -0.07 -0.01 -0.13 -0.04 0.93 0.68 3issJ1 ILE 41 HD13 -0.06 -0.01 -0.21 -0.04 0.88 0.56 3issJ1 GLN 42 H -0.00 0.78 0.45 -0.55 8.47 9.15 3issJ1 GLN 42 HA -0.05 0.15 0.86 -0.75 4.36 4.56 3issJ1 GLN 42 HB2 -0.04 -0.06 0.01 -0.04 2.15 2.02 3issJ1 GLN 42 HB3 -0.03 -0.01 0.07 -0.04 2.02 2.01 3issJ1 GLN 42 HG2 -0.04 0.01 -0.15 -0.04 2.40 2.18 3issJ1 GLN 42 HG3 -0.02 0.05 -0.16 -0.04 2.39 2.22 3issJ1 GLN 42 HE21 -0.00 0.01 -0.07 -0.04 6.97 6.86 3issJ1 GLN 42 HE22 0.00 0.01 -0.09 -0.04 7.69 7.57 3issJ1 ASN 43 H -0.03 0.36 0.31 -0.55 8.53 8.63 3issJ1 ASN 43 HA -0.01 0.06 0.40 -0.75 4.76 4.45 3issJ1 ASN 43 HB2 -0.03 -0.04 -0.09 -0.04 2.88 2.68 3issJ1 ASN 43 HB3 -0.02 0.10 0.23 -0.04 2.79 3.06 3issJ1 ASN 43 HD21 -0.00 -0.02 -0.10 -0.04 7.03 6.87 3issJ1 ASN 43 HD22 -0.02 0.37 0.03 -0.04 7.74 8.08 3issJ1 VAL 44 H -0.02 0.33 -0.13 -0.55 8.24 7.86 3issJ1 VAL 44 HA -0.02 0.10 0.67 -0.75 4.13 4.12 3issJ1 VAL 44 HB -0.03 0.01 -0.12 -0.04 2.12 1.94 3issJ1 VAL 44 HG13 -0.03 0.02 -0.19 -0.04 0.97 0.73 3issJ1 VAL 44 HG23 -0.05 0.00 -0.23 -0.04 0.95 0.63 3issJ1 PRO 45 HA 0.02 0.06 0.42 -0.51 4.44 4.43 3issJ1 PRO 45 HB2 0.02 -0.05 -0.16 -0.04 2.28 2.06 3issJ1 PRO 45 HB3 0.02 0.04 0.07 -0.04 2.02 2.11 3issJ1 PRO 45 HG2 0.00 -0.05 -0.01 -0.04 2.03 1.93 3issJ1 PRO 45 HG3 -0.00 0.02 -0.11 -0.04 2.03 1.89 3issJ1 PRO 45 HD2 -0.01 0.06 0.10 -0.04 3.68 3.78 3issJ1 PRO 45 HD3 -0.00 0.17 0.03 -0.04 3.65 3.81 3issJ1 LYS 46 H 0.03 0.12 0.09 -0.55 8.42 8.10 3issJ1 LYS 46 HA 0.02 0.18 0.63 -0.75 4.32 4.39 3issJ1 LYS 46 HB2 0.03 -0.05 0.19 -0.04 1.87 2.00 3issJ1 LYS 46 HB3 0.03 0.00 0.09 -0.04 1.79 1.87 3issJ1 LYS 46 HG2 0.02 0.04 -0.09 -0.04 1.46 1.38 3issJ1 LYS 46 HG3 0.01 0.09 -0.13 -0.04 1.46 1.39 3issJ1 LYS 46 HD2 0.02 -0.04 0.02 -0.04 1.69 1.65 3issJ1 LYS 46 HD3 0.02 -0.00 -0.02 -0.04 1.68 1.64 3issJ1 LYS 46 HE2 0.01 0.07 -0.03 -0.04 2.99 3.00 3issJ1 LYS 46 HE3 0.01 -0.00 0.01 -0.04 2.99 2.97 3issJ1 LEU 47 H 0.02 0.36 0.12 -0.55 8.37 8.32 3issJ1 LEU 47 HA 0.04 0.28 0.72 -0.75 4.35 4.64 3issJ1 LEU 47 HB2 0.02 -0.10 -0.06 -0.04 1.64 1.46 3issJ1 LEU 47 HB3 0.02 0.16 -0.10 -0.04 1.64 1.68 3issJ1 LEU 47 HG 0.02 -0.06 -0.55 -0.04 1.64 1.01 3issJ1 LEU 47 HD13 -0.02 -0.00 -0.20 -0.04 0.93 0.66 3issJ1 LEU 47 HD23 0.05 0.06 -0.72 -0.04 0.89 0.24 3issJ1 LYS 48 H 0.04 0.58 0.26 -0.55 8.42 8.75 3issJ1 LYS 48 HA 0.02 0.08 0.45 -0.75 4.32 4.12 3issJ1 LYS 48 HB2 0.04 0.08 -0.00 -0.04 1.87 1.95 3issJ1 LYS 48 HB3 0.04 -0.03 0.04 -0.04 1.79 1.80 3issJ1 LYS 48 HG2 0.03 0.04 -0.03 -0.04 1.46 1.46 3issJ1 LYS 48 HG3 0.02 -0.06 0.02 -0.04 1.46 1.40 3issJ1 LYS 48 HD2 0.02 -0.02 0.02 -0.04 1.69 1.67 3issJ1 LYS 48 HD3 0.02 0.01 -0.01 -0.04 1.68 1.66 3issJ1 LYS 48 HE2 0.00 -0.02 -0.01 -0.04 2.99 2.92 3issJ1 LYS 48 HE3 -0.00 0.04 -0.02 -0.04 2.99 2.97 3issJ1 ASP 49 H 0.03 0.25 -0.05 -0.55 8.40 8.08 3issJ1 ASP 49 HA 0.04 0.08 0.40 -0.75 4.63 4.40 3issJ1 ASP 49 HB2 0.03 0.14 0.11 -0.04 2.71 2.95 3issJ1 ASP 49 HB3 0.06 -0.01 -0.07 -0.04 2.70 2.65 3issJ1 VAL 50 H 0.02 0.17 -0.37 -0.55 8.24 7.50 3issJ1 VAL 50 HA 0.00 0.07 0.54 -0.75 4.13 3.99 3issJ1 VAL 50 HB 0.00 0.07 0.14 -0.04 2.12 2.30 3issJ1 VAL 50 HG13 -0.02 0.02 -0.17 -0.04 0.97 0.75 3issJ1 VAL 50 HG23 -0.00 0.01 -0.02 -0.04 0.95 0.89 3issJ1 ASP 51 H 0.01 0.37 -0.04 -0.55 8.40 8.20 3issJ1 ASP 51 HA -0.00 0.05 0.39 -0.75 4.63 4.32 3issJ1 ASP 51 HB2 0.01 0.10 0.21 -0.04 2.71 2.99 3issJ1 ASP 51 HB3 0.01 0.00 0.01 -0.04 2.70 2.68 3issJ1 THR 52 H 0.02 0.64 -0.07 -0.55 8.28 8.32 3issJ1 THR 52 HA 0.02 0.02 0.31 -0.75 4.39 3.99 3issJ1 THR 52 HB 0.05 0.04 0.04 -0.04 4.32 4.41 3issJ1 THR 52 HG23 0.05 -0.00 -0.14 -0.04 1.22 1.08 3issJ1 SER 53 H 0.03 0.37 -0.40 -0.55 8.46 7.91 3issJ1 SER 53 HA 0.08 -0.00 0.39 -0.75 4.49 4.20 3issJ1 SER 53 HB2 -0.09 0.12 0.14 -0.04 3.95 4.08 3issJ1 SER 53 HB3 -0.41 -0.01 -0.05 -0.04 3.93 3.42 3issJ1 MET 54 H -0.04 0.63 -0.10 -0.55 8.47 8.41 3issJ1 MET 54 HA -0.08 0.01 0.36 -0.75 4.52 4.07 3issJ1 MET 54 HB2 -0.02 0.10 0.16 -0.04 2.15 2.35 3issJ1 MET 54 HB3 -0.02 -0.02 -0.04 -0.04 2.03 1.91 3issJ1 MET 54 HG2 -0.06 -0.03 -0.05 -0.04 2.63 2.45 3issJ1 MET 54 HG3 -0.05 0.17 -0.03 -0.04 2.56 2.62 3issJ1 MET 54 HE3 -0.01 -0.01 -0.14 -0.04 2.10 1.90 3issJ1 LYS 55 H -0.01 0.69 -0.08 -0.55 8.42 8.48 3issJ1 LYS 55 HA -0.00 0.01 0.39 -0.75 4.32 3.96 3issJ1 LYS 55 HB2 0.00 -0.05 0.05 -0.04 1.87 1.83 3issJ1 LYS 55 HB3 0.01 0.09 0.13 -0.04 1.79 1.98 3issJ1 LYS 55 HG2 0.02 -0.04 -0.07 -0.04 1.46 1.33 3issJ1 LYS 55 HG3 0.02 0.02 -0.40 -0.04 1.46 1.05 3issJ1 LYS 55 HD2 0.01 -0.01 -0.05 -0.04 1.69 1.60 3issJ1 LYS 55 HD3 0.00 0.01 -0.00 -0.04 1.68 1.65 3issJ1 LYS 55 HE2 0.00 -0.01 -0.04 -0.04 2.99 2.89 3issJ1 LYS 55 HE3 0.00 -0.02 -0.05 -0.04 2.99 2.89 3issJ1 LEU 56 H 0.03 0.46 -0.30 -0.55 8.37 8.02 3issJ1 LEU 56 HA 0.05 0.00 0.48 -0.75 4.35 4.13 3issJ1 LEU 56 HB2 0.12 -0.07 0.09 -0.04 1.64 1.74 3issJ1 LEU 56 HB3 0.14 0.14 0.17 -0.04 1.64 2.05 3issJ1 LEU 56 HG 0.22 0.07 -0.24 -0.04 1.64 1.65 3issJ1 LEU 56 HD13 0.09 -0.02 0.05 -0.04 0.93 1.01 3issJ1 LEU 56 HD23 0.33 -0.03 -0.01 -0.04 0.89 1.14 3issJ1 LEU 57 H -0.03 0.61 -0.02 -0.55 8.37 8.38 3issJ1 LEU 57 HA 0.02 0.04 0.33 -0.75 4.35 3.98 3issJ1 LEU 57 HB2 -0.07 0.07 0.17 -0.04 1.64 1.76 3issJ1 LEU 57 HB3 -0.03 -0.03 -0.12 -0.04 1.64 1.42 3issJ1 LEU 57 HG -0.05 0.03 -0.05 -0.04 1.64 1.53 3issJ1 LEU 57 HD13 -0.33 0.03 -0.13 -0.04 0.93 0.46 3issJ1 LEU 57 HD23 -0.13 0.02 -0.11 -0.04 0.89 0.62 3issJ1 SER 58 H -0.01 0.68 -0.08 -0.55 8.46 8.51 3issJ1 SER 58 HA -0.01 0.30 0.46 -0.75 4.49 4.48 3issJ1 SER 58 HB2 -0.01 -0.06 0.10 -0.04 3.95 3.94 3issJ1 SER 58 HB3 -0.01 0.08 0.14 -0.04 3.93 4.11 3issJ1 GLN 59 H -0.00 0.45 -0.23 -0.55 8.47 8.14 3issJ1 GLN 59 HA -0.02 -0.03 0.39 -0.75 4.36 3.95 3issJ1 GLN 59 HB2 0.01 0.18 0.24 -0.04 2.15 2.54 3issJ1 GLN 59 HB3 0.01 0.11 0.13 -0.04 2.02 2.23 3issJ1 GLN 59 HG2 -0.01 -0.01 0.05 -0.04 2.40 2.40 3issJ1 GLN 59 HG3 -0.01 -0.04 0.10 -0.04 2.39 2.40 3issJ1 GLN 59 HE21 0.02 -0.11 -0.04 -0.04 6.97 6.80 3issJ1 GLN 59 HE22 0.01 0.07 0.01 -0.04 7.69 7.74 3issJ1 LEU 60 H -0.02 0.42 -0.40 -0.55 8.37 7.82 3issJ1 LEU 60 HA -0.11 -0.00 0.59 -0.75 4.35 4.07 3issJ1 LEU 60 HB2 -0.01 0.13 0.18 -0.04 1.64 1.90 3issJ1 LEU 60 HB3 -0.08 0.03 0.17 -0.04 1.64 1.73 3issJ1 LEU 60 HG 0.04 0.12 -0.03 -0.04 1.64 1.73 3issJ1 LEU 60 HD13 0.11 -0.04 -0.06 -0.04 0.93 0.91 3issJ1 LEU 60 HD23 -0.01 0.01 -0.15 -0.04 0.89 0.70 3issJ1 GLY 61 H -0.05 0.49 -0.22 -0.55 8.43 8.11 3issJ1 GLY 61 HA2 -0.06 0.01 0.29 -0.51 4.01 3.75 3issJ1 GLY 61 HA3 -0.09 0.06 0.95 -0.51 4.01 4.42 3issJ1 ALA 62 H -0.02 0.35 0.07 -0.55 8.40 8.26 3issJ1 ALA 62 HA 0.02 0.17 0.65 -0.75 4.34 4.42 3issJ1 ALA 62 HB3 0.02 -0.04 -0.20 -0.04 1.41 1.15 3issJ1 LYS 63 H 0.02 0.67 0.31 -0.55 8.42 8.88 3issJ1 LYS 63 HA 0.01 0.15 0.89 -0.75 4.32 4.62 3issJ1 LYS 63 HB2 0.02 0.01 0.27 -0.04 1.87 2.13 3issJ1 LYS 63 HB3 0.01 -0.04 0.01 -0.04 1.79 1.74 3issJ1 LYS 63 HG2 0.00 -0.05 0.01 -0.04 1.46 1.39 3issJ1 LYS 63 HG3 0.00 0.06 0.02 -0.04 1.46 1.50 3issJ1 LYS 63 HD2 0.01 0.14 -0.07 -0.04 1.69 1.73 3issJ1 LYS 63 HD3 0.01 -0.05 0.04 -0.04 1.68 1.65 3issJ1 LYS 63 HE2 0.00 -0.05 -0.00 -0.04 2.99 2.90 3issJ1 LYS 63 HE3 0.00 0.02 -0.02 -0.04 2.99 2.95 3issJ1 VAL 64 H 0.01 0.24 0.16 -0.55 8.24 8.10 3issJ1 VAL 64 HA 0.03 0.49 1.26 -0.75 4.13 5.15 3issJ1 VAL 64 HB -0.00 -0.03 -0.00 -0.04 2.12 2.04 3issJ1 VAL 64 HG13 -0.01 -0.02 -0.06 -0.04 0.97 0.84 3issJ1 VAL 64 HG23 -0.01 0.04 -0.36 -0.04 0.95 0.58 3issJ1 GLU 65 H 0.06 0.57 0.40 -0.55 8.60 9.09 3issJ1 GLU 65 HA 0.02 0.07 0.38 -0.75 4.29 4.00 3issJ1 GLU 65 HB2 0.05 0.03 -0.04 -0.04 2.09 2.09 3issJ1 GLU 65 HB3 0.02 0.05 0.23 -0.04 1.99 2.24 3issJ1 GLU 65 HG2 0.01 0.10 -0.45 -0.04 2.34 1.96 3issJ1 GLU 65 HG3 0.05 -0.02 -0.25 -0.04 2.34 2.07 3issJ1 ARG 66 H 0.04 0.36 0.30 -0.55 8.46 8.60 3issJ1 ARG 66 HA 0.03 0.20 0.93 -0.75 4.34 4.74 3issJ1 ARG 66 HB2 -0.00 -0.06 -0.01 -0.04 1.90 1.79 3issJ1 ARG 66 HB3 0.01 -0.11 -0.03 -0.04 1.80 1.63 3issJ1 ARG 66 HG2 0.01 -0.06 -0.12 -0.04 1.67 1.46 3issJ1 ARG 66 HG3 0.01 0.21 -0.20 -0.04 1.67 1.66 3issJ1 ARG 66 HD2 -0.00 -0.07 -0.13 -0.04 3.22 2.98 3issJ1 ARG 66 HD3 0.01 -0.09 -0.16 -0.04 3.22 2.93 3issJ1 ASP 67 H 0.02 0.39 0.93 -0.55 8.40 9.19 3issJ1 ASP 67 HA 0.03 0.04 -0.14 -0.75 4.63 3.81 3issJ1 ASP 67 HB2 0.01 -0.08 -3.34 -0.04 2.71 -0.75 3issJ1 ASP 67 HB3 0.02 -0.11 0.49 -0.04 2.70 3.06 3issJ1 GLY 68 HA2 -0.00 -0.00 0.27 -0.51 4.01 3.77 3issJ1 GLY 68 HA3 0.00 -0.01 0.24 -0.51 4.01 3.73 3issJ1 SER 69 H -0.01 0.22 0.26 -0.55 8.46 8.39 3issJ1 SER 69 HA -0.07 0.15 0.86 -0.75 4.49 4.68 3issJ1 SER 69 HB2 -0.20 -0.00 -0.09 -0.04 3.95 3.61 3issJ1 SER 69 HB3 -0.16 0.09 -0.05 -0.04 3.93 3.78 3issJ1 VAL 70 H -0.13 0.63 0.39 -0.55 8.24 8.58 3issJ1 VAL 70 HA -0.04 0.22 1.08 -0.75 4.13 4.63 3issJ1 VAL 70 HB -0.09 -0.06 0.14 -0.04 2.12 2.08 3issJ1 VAL 70 HG13 -0.04 0.01 -0.20 -0.04 0.97 0.69 3issJ1 VAL 70 HG23 -0.04 -0.02 -0.14 -0.04 0.95 0.70 3issJ1 HIS 71 H 0.08 0.92 0.44 -0.55 8.41 9.31 3issJ1 HIS 71 HA 0.02 0.24 1.12 -0.75 4.63 5.25 3issJ1 HIS 71 HB2 0.00 -0.01 0.15 -0.04 3.26 3.37 3issJ1 HIS 71 HB3 0.01 0.02 -0.00 -0.04 3.20 3.19 3issJ1 HIS 71 HD2 0.02 0.07 -0.07 -0.04 6.97 6.94 3issJ1 HIS 71 HE1 0.01 -0.03 -0.14 -0.04 7.75 7.54 3issJ1 ILE 72 H 0.08 0.67 0.39 -0.55 8.25 8.84 3issJ1 ILE 72 HA 0.04 0.36 1.13 -0.75 4.18 4.95 3issJ1 ILE 72 HB 0.04 -0.01 0.08 -0.04 1.89 1.96 3issJ1 ILE 72 HG12 -0.02 0.02 -0.15 -0.04 1.49 1.30 3issJ1 ILE 72 HG13 -0.01 -0.13 -0.60 -0.04 1.21 0.43 3issJ1 ILE 72 HG23 0.03 -0.00 -0.27 -0.04 0.93 0.65 3issJ1 ILE 72 HD13 -0.06 0.01 -0.09 -0.04 0.88 0.69 3issJ1 ASP 73 H 0.04 0.65 0.26 -0.55 8.40 8.80 3issJ1 ASP 73 HA 0.05 0.15 0.92 -0.75 4.63 4.99 3issJ1 ASP 73 HB2 0.04 0.01 0.02 -0.04 2.71 2.74 3issJ1 ASP 73 HB3 0.03 -0.05 0.28 -0.04 2.70 2.92 3issJ1 ALA 74 H 0.06 0.33 -0.09 -0.55 8.40 8.16 3issJ1 ALA 74 HA 0.06 0.05 0.55 -0.75 4.34 4.26 3issJ1 ALA 74 HB3 0.10 0.08 -0.03 -0.04 1.41 1.52 3issJ1 ARG 75 H 0.06 -0.03 -0.32 -0.55 8.46 7.61 3issJ1 ARG 75 HA 0.09 0.23 0.48 -0.75 4.34 4.39 3issJ1 ARG 75 HB2 0.04 -0.11 0.06 -0.04 1.90 1.85 3issJ1 ARG 75 HB3 0.05 0.02 0.03 -0.04 1.80 1.86 3issJ1 ARG 75 HG2 0.04 0.27 0.08 -0.04 1.67 2.01 3issJ1 ARG 75 HG3 0.04 -0.18 -0.17 -0.04 1.67 1.33 3issJ1 ARG 75 HD2 0.03 -0.04 0.05 -0.04 3.22 3.21 3issJ1 ARG 75 HD3 0.02 0.11 0.11 -0.04 3.22 3.43 3issJ1 ASP 76 H 0.05 0.04 -0.15 -0.55 8.40 7.79 3issJ1 ASP 76 HA 0.06 0.19 0.47 -0.75 4.63 4.60 3issJ1 ASP 76 HB2 0.02 0.05 0.09 -0.04 2.71 2.83 3issJ1 ASP 76 HB3 0.01 -0.01 0.17 -0.04 2.70 2.83 3issJ1 VAL 77 H 0.11 0.27 -0.69 -0.55 8.24 7.38 3issJ1 VAL 77 HA -0.10 -0.02 0.35 -0.75 4.13 3.61 3issJ1 VAL 77 HB 0.18 0.14 0.05 -0.04 2.12 2.45 3issJ1 VAL 77 HG13 -0.35 0.02 -0.10 -0.04 0.97 0.50 3issJ1 VAL 77 HG23 0.06 -0.06 -0.16 -0.04 0.95 0.75 3issJ1 ASN 78 H -0.31 0.25 0.47 -0.55 8.53 8.39 3issJ1 ASN 78 HA -0.36 0.17 0.84 -0.75 4.76 4.66 3issJ1 ASN 78 HB2 -0.11 -0.12 0.14 -0.04 2.88 2.76 3issJ1 ASN 78 HB3 -0.07 0.11 -0.19 -0.04 2.79 2.59 3issJ1 ASN 78 HD21 -0.07 -0.07 -0.00 -0.04 7.03 6.85 3issJ1 ASN 78 HD22 -0.05 -0.06 0.01 -0.04 7.74 7.59 3issJ1 VAL 79 H -0.53 0.47 0.38 -0.55 8.24 8.01 3issJ1 VAL 79 HA -0.71 0.15 0.85 -0.75 4.13 3.67 3issJ1 VAL 79 HB -0.23 0.01 0.08 -0.04 2.12 1.95 3issJ1 VAL 79 HG13 -0.18 0.05 0.13 -0.04 0.97 0.93 3issJ1 VAL 79 HG23 -0.13 -0.07 0.07 -0.04 0.95 0.78 3issJ1 PHE 80 H -0.15 0.08 0.09 -0.55 8.34 7.80 3issJ1 PHE 80 HA -0.07 0.29 0.75 -0.75 4.62 4.84 3issJ1 PHE 80 HB2 -0.04 -0.08 -0.04 -0.04 3.15 2.96 3issJ1 PHE 80 HB3 -0.03 0.09 -0.02 -0.04 3.06 3.06 3issJ1 PHE 80 HD2 -0.22 -0.02 -0.13 -0.04 7.28 6.86 3issJ1 PHE 80 HE2 -0.90 0.05 -0.12 -0.04 7.38 6.37 3issJ1 PHE 80 HZ -0.17 0.06 -0.05 -0.04 7.32 7.11 3issJ1 CYS 81 H -0.02 0.24 -0.05 -0.55 8.50 8.12 3issJ1 CYS 81 HA 0.08 0.41 1.13 -0.75 4.58 5.44 3issJ1 CYS 81 HB2 -0.02 -0.01 -0.11 -0.04 2.97 2.79 3issJ1 CYS 81 HB3 -0.02 -0.02 0.05 -0.04 2.97 2.93 3issJ1 ALA 82 H 0.12 0.59 0.32 -0.55 8.40 8.88 3issJ1 ALA 82 HA 0.09 0.23 0.89 -0.75 4.34 4.79 3issJ1 ALA 82 HB3 0.08 -0.03 0.12 -0.04 1.41 1.54 3issJ1 PRO 83 HA 0.42 0.11 0.34 -0.51 4.44 4.80 3issJ1 PRO 83 HB2 0.14 -0.11 -0.03 -0.04 2.28 2.24 3issJ1 PRO 83 HB3 0.11 0.14 0.03 -0.04 2.02 2.26 3issJ1 PRO 83 HG2 0.07 -0.16 0.06 -0.04 2.03 1.96 3issJ1 PRO 83 HG3 0.05 0.16 0.04 -0.04 2.03 2.24 3issJ1 PRO 83 HD2 0.07 0.11 0.24 -0.04 3.68 4.06 3issJ1 PRO 83 HD3 0.06 0.43 0.01 -0.04 3.65 4.12 3issJ1 TYR 84 H 0.39 0.23 0.14 -0.55 8.29 8.49 3issJ1 TYR 84 HA -0.09 0.05 0.34 -0.75 4.56 4.12 3issJ1 TYR 84 HB2 -0.12 0.09 0.13 -0.04 3.06 3.12 3issJ1 TYR 84 HB3 0.03 -0.01 0.11 -0.04 2.98 3.07 3issJ1 TYR 84 HD2 -0.09 0.02 -0.10 -0.04 7.15 6.94 3issJ1 TYR 84 HE2 -0.05 0.02 -0.05 -0.04 6.85 6.74 3issJ1 ASP 85 H 0.17 0.11 -0.24 -0.55 8.40 7.90 3issJ1 ASP 85 HA -0.00 0.05 0.24 -0.75 4.63 4.17 3issJ1 ASP 85 HB2 0.07 -0.00 0.01 -0.04 2.71 2.75 3issJ1 ASP 85 HB3 0.03 0.05 -0.05 -0.04 2.70 2.69 3issJ1 LEU 86 H 0.01 0.43 -0.33 -0.55 8.37 7.92 3issJ1 LEU 86 HA -0.02 0.14 0.73 -0.75 4.35 4.45 3issJ1 LEU 86 HB2 0.03 0.08 0.10 -0.04 1.64 1.81 3issJ1 LEU 86 HB3 0.03 -0.00 -0.09 -0.04 1.64 1.53 3issJ1 LEU 86 HG 0.02 -0.02 -0.01 -0.04 1.64 1.58 3issJ1 LEU 86 HD13 0.03 -0.00 -0.09 -0.04 0.93 0.83 3issJ1 LEU 86 HD23 0.06 0.01 -0.06 -0.04 0.89 0.86 3issJ1 VAL 87 H -0.05 0.42 -0.04 -0.55 8.24 8.01 3issJ1 VAL 87 HA -0.08 0.06 0.20 -0.75 4.13 3.55 3issJ1 VAL 87 HB -0.17 0.03 -0.05 -0.04 2.12 1.89 3issJ1 VAL 87 HG13 -0.14 0.03 -0.19 -0.04 0.97 0.63 3issJ1 VAL 87 HG23 -0.03 0.02 -0.12 -0.04 0.95 0.78 3issJ1 LYS 88 H -0.30 0.57 -0.40 -0.55 8.42 7.74 3issJ1 LYS 88 HA -0.24 -0.04 0.21 -0.75 4.32 3.50 3issJ1 LYS 88 HB2 -0.33 -0.07 0.04 -0.04 1.87 1.47 3issJ1 LYS 88 HB3 -0.85 0.06 0.02 -0.04 1.79 0.98 3issJ1 LYS 88 HG2 -0.23 0.16 -0.12 -0.04 1.46 1.23 3issJ1 LYS 88 HG3 -0.15 -0.01 -0.35 -0.04 1.46 0.91 3issJ1 LYS 88 HD2 -0.10 -0.05 -0.07 -0.04 1.69 1.44 3issJ1 LYS 88 HD3 -0.31 -0.05 -0.12 -0.04 1.68 1.16 3issJ1 LYS 88 HE2 -0.03 0.09 0.03 -0.04 2.99 3.03 3issJ1 LYS 88 HE3 -0.03 -0.01 -0.04 -0.04 2.99 2.86 3issJ1 THR 89 H -0.10 0.52 -0.45 -0.55 8.28 7.70 3issJ1 THR 89 HA -0.05 0.09 0.70 -0.75 4.39 4.39 3issJ1 THR 89 HB -0.02 -0.10 0.13 -0.04 4.32 4.27 3issJ1 THR 89 HG23 -0.05 0.04 0.03 -0.04 1.22 1.20 3issJ1 MET 90 H -0.07 0.51 -0.37 -0.55 8.47 8.00 3issJ1 MET 90 HA -0.04 -0.03 0.52 -0.75 4.52 4.21 3issJ1 MET 90 HB2 0.01 0.16 -0.25 -0.04 2.15 2.03 3issJ1 MET 90 HB3 0.01 0.03 0.01 -0.04 2.03 2.04 3issJ1 MET 90 HG2 -0.01 -0.26 -0.14 -0.04 2.63 2.18 3issJ1 MET 90 HG3 0.01 -0.01 0.05 -0.04 2.56 2.57 3issJ1 MET 90 HE3 0.22 -0.02 -0.17 -0.04 2.10 2.09 3issJ1 ARG 91 H -0.10 0.14 0.07 -0.55 8.46 8.02 3issJ1 ARG 91 HA -0.15 0.20 0.31 -0.75 4.34 3.95 3issJ1 ARG 91 HB2 -0.18 0.04 0.10 -0.04 1.90 1.82 3issJ1 ARG 91 HB3 -0.13 0.09 0.06 -0.04 1.80 1.78 3issJ1 ARG 91 HG2 -0.14 -0.10 0.04 -0.04 1.67 1.43 3issJ1 ARG 91 HG3 -0.20 -0.02 -0.14 -0.04 1.67 1.27 3issJ1 ARG 91 HD2 -0.11 0.04 -0.04 -0.04 3.22 3.06 3issJ1 ARG 91 HD3 -0.13 -0.09 -0.04 -0.04 3.22 2.92 3issJ1 ALA 92 H -0.16 0.05 -0.40 -0.55 8.40 7.34 3issJ1 ALA 92 HA -0.62 0.06 0.47 -0.75 4.34 3.49 3issJ1 ALA 92 HB3 -0.17 0.01 -0.01 -0.04 1.41 1.20 3issJ1 SER 93 H -0.13 0.57 -0.28 -0.55 8.46 8.08 3issJ1 SER 93 HA -0.26 0.07 0.36 -0.75 4.49 3.89 3issJ1 SER 93 HB2 -0.09 0.01 -0.02 -0.04 3.95 3.81 3issJ1 SER 93 HB3 -0.01 -0.02 -0.01 -0.04 3.93 3.85 3issJ1 ILE 94 H -0.29 0.43 -0.51 -0.55 8.25 7.33 3issJ1 ILE 94 HA -0.13 0.06 0.31 -0.75 4.18 3.66 3issJ1 ILE 94 HB -0.26 0.10 0.14 -0.04 1.89 1.83 3issJ1 ILE 94 HG12 -0.40 -0.07 0.01 -0.04 1.49 1.00 3issJ1 ILE 94 HG13 -0.20 -0.05 -0.03 -0.04 1.21 0.89 3issJ1 ILE 94 HG23 -0.54 -0.01 -0.06 -0.04 0.93 0.28 3issJ1 ILE 94 HD13 -0.10 0.02 0.03 -0.04 0.88 0.79 3issJ1 TRP 95 H -0.32 0.61 -0.51 -0.55 7.97 7.21 3issJ1 TRP 95 HA -0.09 -0.03 0.28 -0.75 4.62 4.03 3issJ1 TRP 95 HB2 -0.66 0.20 0.05 -0.04 3.23 2.78 3issJ1 TRP 95 HB3 -0.24 0.04 -0.03 -0.04 3.23 2.96 3issJ1 TRP 95 HD1 0.05 0.02 -0.03 -0.04 7.22 7.21 3issJ1 TRP 95 HE1 0.08 0.21 0.14 -0.04 10.20 10.59 3issJ1 TRP 95 HE3 0.02 0.11 -0.19 -0.04 7.59 7.50 3issJ1 TRP 95 HZ2 0.04 -0.09 -0.12 -0.04 7.44 7.23 3issJ1 TRP 95 HZ3 0.06 -0.07 -0.12 -0.04 7.13 6.96 3issJ1 TRP 95 HH2 0.03 -0.06 -0.05 -0.04 7.19 7.07 3issJ1 ALA 96 H -0.15 0.55 -0.44 -0.55 8.40 7.81 3issJ1 ALA 96 HA 0.20 0.13 0.46 -0.75 4.34 4.38 3issJ1 ALA 96 HB3 0.14 -0.00 0.01 -0.04 1.41 1.51 3issJ1 LEU 97 H 0.06 0.42 -0.19 -0.55 8.37 8.11 3issJ1 LEU 97 HA 0.10 0.02 0.09 -0.75 4.35 3.80 3issJ1 LEU 97 HB2 0.05 -0.02 0.07 -0.04 1.64 1.71 3issJ1 LEU 97 HB3 0.09 -0.04 0.06 -0.04 1.64 1.71 3issJ1 LEU 97 HG 0.08 0.03 -0.34 -0.04 1.64 1.37 3issJ1 LEU 97 HD13 0.07 -0.01 -0.13 -0.04 0.93 0.82 3issJ1 LEU 97 HD23 0.06 -0.03 -0.12 -0.04 0.89 0.76 3issJ1 GLY 98 H 0.14 0.08 -0.24 -0.55 8.43 7.86 3issJ1 GLY 98 HA2 0.09 -0.01 0.21 -0.51 4.01 3.79 3issJ1 GLY 98 HA3 0.11 0.06 0.24 -0.51 4.01 3.90 3issJ1 PRO 99 HA 0.08 0.07 0.27 -0.51 4.44 4.36 3issJ1 PRO 99 HB2 0.18 0.06 -0.02 -0.04 2.28 2.46 3issJ1 PRO 99 HB3 0.13 0.03 -0.06 -0.04 2.02 2.08 3issJ1 PRO 99 HG2 0.18 0.15 -0.02 -0.04 2.03 2.29 3issJ1 PRO 99 HG3 0.09 -0.07 -0.05 -0.04 2.03 1.96 3issJ1 PRO 99 HD2 0.15 0.23 -0.33 -0.04 3.68 3.68 3issJ1 PRO 99 HD3 0.12 -0.05 0.03 -0.04 3.65 3.70 3issJ1 LEU 100 H 0.17 0.45 -0.25 -0.55 8.37 8.20 3issJ1 LEU 100 HA 0.40 0.04 0.35 -0.75 4.35 4.38 3issJ1 LEU 100 HB2 0.16 0.05 0.11 -0.04 1.64 1.91 3issJ1 LEU 100 HB3 0.20 0.16 0.14 -0.04 1.64 2.10 3issJ1 LEU 100 HG 0.20 0.15 0.03 -0.04 1.64 1.98 3issJ1 LEU 100 HD13 0.17 -0.06 -0.11 -0.04 0.93 0.89 3issJ1 LEU 100 HD23 0.26 -0.00 -0.01 -0.04 0.89 1.10 3issJ1 VAL 101 H 0.11 0.47 -0.20 -0.55 8.24 8.06 3issJ1 VAL 101 HA 0.05 -0.02 0.13 -0.75 4.13 3.53 3issJ1 VAL 101 HB 0.06 0.05 -0.08 -0.04 2.12 2.11 3issJ1 VAL 101 HG13 0.02 -0.01 -0.37 -0.04 0.97 0.58 3issJ1 VAL 101 HG23 0.06 0.02 -0.29 -0.04 0.95 0.70 3issJ1 ALA 102 H 0.06 0.47 -0.18 -0.55 8.40 8.20 3issJ1 ALA 102 HA 0.01 -0.03 0.39 -0.75 4.34 3.95 3issJ1 ALA 102 HB3 0.02 -0.01 0.09 -0.04 1.41 1.46 3issJ1 ARG 103 H 0.03 0.48 -0.11 -0.55 8.46 8.30 3issJ1 ARG 103 HA -0.17 0.14 0.60 -0.75 4.34 4.15 3issJ1 ARG 103 HB2 -0.13 -0.06 0.07 -0.04 1.90 1.75 3issJ1 ARG 103 HB3 -0.19 0.02 0.11 -0.04 1.80 1.70 3issJ1 ARG 103 HG2 -1.35 -0.04 -0.17 -0.04 1.67 0.07 3issJ1 ARG 103 HG3 -0.39 -0.04 0.10 -0.04 1.67 1.30 3issJ1 ARG 103 HD2 -0.13 0.05 0.05 -0.04 3.22 3.15 3issJ1 ARG 103 HD3 -0.13 0.11 0.05 -0.04 3.22 3.20 3issJ1 PHE 104 H 0.12 0.57 0.16 -0.55 8.34 8.64 3issJ1 PHE 104 HA -0.07 0.19 0.90 -0.75 4.62 4.89 3issJ1 PHE 104 HB2 -0.28 0.09 0.12 -0.04 3.15 3.04 3issJ1 PHE 104 HB3 -0.45 -0.10 0.14 -0.04 3.06 2.61 3issJ1 PHE 104 HD2 0.12 -0.00 0.06 -0.04 7.28 7.42 3issJ1 PHE 104 HE2 0.15 0.04 0.01 -0.04 7.38 7.54 3issJ1 PHE 104 HZ 0.12 0.07 0.02 -0.04 7.32 7.49 3issJ1 GLY 105 H 0.01 0.31 -0.10 -0.55 8.43 8.10 3issJ1 GLY 105 HA2 -0.01 0.18 0.41 -0.51 4.01 4.08 3issJ1 GLY 105 HA3 -0.03 0.08 0.50 -0.51 4.01 4.04 3issJ1 GLN 106 H -0.07 0.27 -0.40 -0.55 8.47 7.72 3issJ1 GLN 106 HA -0.03 0.25 0.71 -0.75 4.36 4.54 3issJ1 GLN 106 HB2 -0.06 -0.10 0.11 -0.04 2.15 2.06 3issJ1 GLN 106 HB3 -0.10 0.04 -0.08 -0.04 2.02 1.84 3issJ1 GLN 106 HG2 -0.50 0.17 -0.13 -0.04 2.40 1.89 3issJ1 GLN 106 HG3 -0.45 -0.03 -0.31 -0.04 2.39 1.56 3issJ1 GLN 106 HE21 -0.04 -0.07 -0.03 -0.04 6.97 6.78 3issJ1 GLN 106 HE22 -0.38 0.12 -0.04 -0.04 7.69 7.36 3issJ1 GLY 107 H 0.02 0.38 0.20 -0.55 8.43 8.48 3issJ1 GLY 107 HA2 0.12 0.19 0.53 -0.51 4.01 4.35 3issJ1 GLY 107 HA3 0.09 0.03 0.30 -0.51 4.01 3.92 3issJ1 GLN 108 H 0.11 0.76 0.34 -0.55 8.47 9.14 3issJ1 GLN 108 HA 0.10 0.30 1.05 -0.75 4.36 5.06 3issJ1 GLN 108 HB2 0.02 -0.05 0.12 -0.04 2.15 2.20 3issJ1 GLN 108 HB3 0.02 -0.06 -0.06 -0.04 2.02 1.88 3issJ1 GLN 108 HG2 -0.03 -0.04 -0.08 -0.04 2.40 2.21 3issJ1 GLN 108 HG3 0.03 0.05 -0.08 -0.04 2.39 2.35 3issJ1 GLN 108 HE21 0.03 0.06 -0.12 -0.04 6.97 6.90 3issJ1 GLN 108 HE22 0.02 0.07 -0.14 -0.04 7.69 7.60 3issJ1 VAL 109 H 0.13 0.65 0.24 -0.55 8.24 8.70 3issJ1 VAL 109 HA 0.16 0.17 1.05 -0.75 4.13 4.76 3issJ1 VAL 109 HB 0.04 -0.01 0.09 -0.04 2.12 2.20 3issJ1 VAL 109 HG13 -0.02 0.04 -0.07 -0.04 0.97 0.88 3issJ1 VAL 109 HG23 0.07 -0.02 -0.19 -0.04 0.95 0.77 3issJ1 SER 110 H 0.08 0.38 0.16 -0.55 8.46 8.54 3issJ1 SER 110 HA -0.44 0.09 0.53 -0.75 4.49 3.92 3issJ1 SER 110 HB2 -0.29 -0.07 0.03 -0.04 3.95 3.58 3issJ1 SER 110 HB3 -0.10 -0.06 -0.03 -0.04 3.93 3.70 3issJ1 LEU 111 H -0.14 0.66 0.38 -0.55 8.37 8.72 3issJ1 LEU 111 HA -0.08 0.06 0.61 -0.75 4.35 4.20 3issJ1 LEU 111 HB2 -0.04 -0.02 0.07 -0.04 1.64 1.61 3issJ1 LEU 111 HB3 -0.05 -0.03 0.12 -0.04 1.64 1.65 3issJ1 LEU 111 HG -0.03 -0.06 -0.05 -0.04 1.64 1.47 3issJ1 LEU 111 HD13 -0.04 0.02 -0.14 -0.04 0.93 0.73 3issJ1 LEU 111 HD23 -0.04 -0.02 0.01 -0.04 0.89 0.80 3issJ1 PRO 112 HA -0.11 -0.02 0.32 -0.51 4.44 4.12 3issJ1 PRO 112 HB2 -0.11 0.06 0.01 -0.04 2.28 2.21 3issJ1 PRO 112 HB3 -0.13 -0.04 0.04 -0.04 2.02 1.84 3issJ1 PRO 112 HG2 -0.19 -0.03 0.10 -0.04 2.03 1.88 3issJ1 PRO 112 HG3 -0.16 0.06 0.11 -0.04 2.03 2.00 3issJ1 PRO 112 HD2 -0.12 -0.01 0.22 -0.04 3.68 3.73 3issJ1 PRO 112 HD3 -0.12 0.33 0.34 -0.04 3.65 4.16 3issJ1 GLY 113 H -0.08 0.06 0.05 -0.55 8.43 7.92 3issJ1 GLY 113 HA2 -0.03 0.16 0.62 -0.51 4.01 4.26 3issJ1 GLY 113 HA3 -0.02 -0.05 0.42 -0.51 4.01 3.85 3issJ1 GLY 114 H -0.02 0.11 0.14 -0.55 8.43 8.12 3issJ1 GLY 114 HA2 -0.03 0.10 0.62 -0.51 4.01 4.19 3issJ1 GLY 114 HA3 -0.02 0.03 0.30 -0.51 4.01 3.81 3issJ1 CYS 115 H -0.05 0.33 0.27 -0.55 8.50 8.51 3issJ1 CYS 115 HA -0.05 0.20 0.78 -0.75 4.58 4.75 3issJ1 CYS 115 HB2 -0.09 0.12 -0.11 -0.04 2.97 2.85 3issJ1 CYS 115 HB3 -0.11 0.02 0.02 -0.04 2.97 2.86 3issJ1 THR 116 H -0.07 0.16 0.15 -0.55 8.28 7.97 3issJ1 THR 116 HA -0.04 0.20 0.30 -0.75 4.39 4.10 3issJ1 THR 116 HB -0.05 0.01 0.08 -0.04 4.32 4.33 3issJ1 THR 116 HG23 -0.02 0.03 -0.00 -0.04 1.22 1.18 3issJ1 ILE 117 H -0.14 0.04 -0.27 -0.55 8.25 7.33 3issJ1 ILE 117 HA -0.09 0.27 0.67 -0.75 4.18 4.28 3issJ1 ILE 117 HB -0.24 -0.04 0.03 -0.04 1.89 1.61 3issJ1 ILE 117 HG12 -0.33 -0.00 -0.11 -0.04 1.49 1.00 3issJ1 ILE 117 HG13 -0.59 0.06 -0.43 -0.04 1.21 0.22 3issJ1 ILE 117 HG23 -0.18 -0.03 -0.05 -0.04 0.93 0.62 3issJ1 ILE 117 HD13 -0.81 -0.02 -0.07 -0.04 0.88 -0.06 3issJ1 GLY 118 H -0.07 0.26 -0.23 -0.55 8.43 7.84 3issJ1 GLY 118 HA2 0.01 0.08 0.14 -0.51 4.01 3.72 3issJ1 GLY 118 HA3 0.04 0.07 0.76 -0.51 4.01 4.38 3issJ1 ALA 119 H 0.05 0.10 0.13 -0.55 8.40 8.14 3issJ1 ALA 119 HA 0.01 0.06 0.52 -0.75 4.34 4.18 3issJ1 ALA 119 HB3 0.03 0.02 0.11 -0.04 1.41 1.53 3issJ1 ARG 120 H 0.00 0.15 0.10 -0.55 8.46 8.16 3issJ1 ARG 120 HA 0.07 0.17 0.77 -0.75 4.34 4.59 3issJ1 ARG 120 HB2 -0.04 0.05 0.09 -0.04 1.90 1.96 3issJ1 ARG 120 HB3 -0.01 -0.04 0.12 -0.04 1.80 1.82 3issJ1 ARG 120 HG2 0.11 0.29 -0.49 -0.04 1.67 1.54 3issJ1 ARG 120 HG3 -0.08 0.01 -0.29 -0.04 1.67 1.28 3issJ1 ARG 120 HD2 0.04 -0.00 -0.03 -0.04 3.22 3.18 3issJ1 ARG 120 HD3 0.20 -0.02 -0.09 -0.04 3.22 3.26 3issJ1 PRO 121 HA -0.02 0.17 0.47 -0.51 4.44 4.55 3issJ1 PRO 121 HB2 0.01 -0.16 0.03 -0.04 2.28 2.12 3issJ1 PRO 121 HB3 0.00 0.10 0.11 -0.04 2.02 2.19 3issJ1 PRO 121 HG2 0.02 -0.00 0.00 -0.04 2.03 2.01 3issJ1 PRO 121 HG3 0.02 0.09 0.02 -0.04 2.03 2.12 3issJ1 PRO 121 HD2 0.04 0.20 -0.09 -0.04 3.68 3.79 3issJ1 PRO 121 HD3 0.02 0.03 -0.11 -0.04 3.65 3.55 3issJ1 VAL 122 H -0.02 0.22 0.12 -0.55 8.24 8.01 3issJ1 VAL 122 HA 0.07 0.19 0.95 -0.75 4.13 4.58 3issJ1 VAL 122 HB -0.30 -0.08 0.19 -0.04 2.12 1.90 3issJ1 VAL 122 HG13 -0.26 0.05 -0.10 -0.04 0.97 0.62 3issJ1 VAL 122 HG23 -0.09 0.03 0.01 -0.04 0.95 0.86 3issJ1 ASP 123 H 0.03 0.15 -0.10 -0.55 8.40 7.94 3issJ1 ASP 123 HA 0.03 0.13 0.45 -0.75 4.63 4.49 3issJ1 ASP 123 HB2 0.02 0.09 0.01 -0.04 2.71 2.79 3issJ1 ASP 123 HB3 0.02 0.05 0.09 -0.04 2.70 2.82 3issJ1 LEU 124 H 0.08 0.10 -0.25 -0.55 8.37 7.75 3issJ1 LEU 124 HA 0.02 0.14 0.38 -0.75 4.35 4.13 3issJ1 LEU 124 HB2 0.03 -0.06 -0.02 -0.04 1.64 1.55 3issJ1 LEU 124 HB3 -0.03 0.06 -0.04 -0.04 1.64 1.59 3issJ1 LEU 124 HG 0.02 -0.04 -0.03 -0.04 1.64 1.56 3issJ1 LEU 124 HD13 -0.00 0.02 -0.08 -0.04 0.93 0.83 3issJ1 LEU 124 HD23 -0.00 0.02 -0.00 -0.04 0.89 0.87 3issJ1 HIS 125 H 0.28 0.12 -0.31 -0.55 8.41 7.95 3issJ1 HIS 125 HA 0.04 0.06 0.43 -0.75 4.63 4.41 3issJ1 HIS 125 HB2 0.00 0.17 0.12 -0.04 3.26 3.51 3issJ1 HIS 125 HB3 0.03 0.08 -0.06 -0.04 3.20 3.20 3issJ1 HIS 125 HD2 -0.01 -0.11 -0.01 -0.04 6.97 6.80 3issJ1 HIS 125 HE1 -0.08 0.05 -0.26 -0.04 7.75 7.42 3issJ1 ILE 126 H 0.12 0.35 -0.11 -0.55 8.25 8.06 3issJ1 ILE 126 HA 0.06 0.08 0.27 -0.75 4.18 3.84 3issJ1 ILE 126 HB 0.04 0.01 0.14 -0.04 1.89 2.04 3issJ1 ILE 126 HG12 0.03 0.04 -0.05 -0.04 1.49 1.47 3issJ1 ILE 126 HG13 0.04 0.01 0.02 -0.04 1.21 1.24 3issJ1 ILE 126 HG23 0.03 0.01 -0.19 -0.04 0.93 0.74 3issJ1 ILE 126 HD13 0.01 -0.02 -0.08 -0.04 0.88 0.75 3issJ1 SER 127 H 0.04 0.61 -0.07 -0.55 8.46 8.49 3issJ1 SER 127 HA 0.02 0.04 0.33 -0.75 4.49 4.12 3issJ1 SER 127 HB2 0.02 -0.02 0.07 -0.04 3.95 3.98 3issJ1 SER 127 HB3 0.02 -0.03 0.11 -0.04 3.93 3.98 3issJ1 GLY 128 H 0.02 0.47 -0.29 -0.55 8.43 8.08 3issJ1 GLY 128 HA2 0.00 0.00 0.36 -0.51 4.01 3.86 3issJ1 GLY 128 HA3 0.00 0.04 0.27 -0.51 4.01 3.81 3issJ1 LEU 129 H 0.04 0.43 -0.28 -0.55 8.37 8.02 3issJ1 LEU 129 HA 0.03 0.08 0.30 -0.75 4.35 4.01 3issJ1 LEU 129 HB2 0.05 0.09 0.06 -0.04 1.64 1.80 3issJ1 LEU 129 HB3 0.04 -0.00 -0.13 -0.04 1.64 1.51 3issJ1 LEU 129 HG 0.07 0.03 -0.08 -0.04 1.64 1.62 3issJ1 LEU 129 HD13 0.08 -0.03 -0.20 -0.04 0.93 0.74 3issJ1 LEU 129 HD23 0.05 0.01 -0.13 -0.04 0.89 0.78 3issJ1 GLU 130 H 0.03 0.51 -0.06 -0.55 8.60 8.53 3issJ1 GLU 130 HA 0.02 0.31 0.46 -0.75 4.29 4.32 3issJ1 GLU 130 HB2 0.02 0.04 0.12 -0.04 2.09 2.22 3issJ1 GLU 130 HB3 0.01 -0.02 0.01 -0.04 1.99 1.95 3issJ1 GLU 130 HG2 0.02 0.05 0.00 -0.04 2.34 2.37 3issJ1 GLU 130 HG3 0.02 0.04 -0.05 -0.04 2.34 2.32 3issJ1 GLN 131 H 0.01 0.42 -0.38 -0.55 8.47 7.98 3issJ1 GLN 131 HA 0.01 0.01 0.38 -0.75 4.36 4.00 3issJ1 GLN 131 HB2 0.00 0.18 0.14 -0.04 2.15 2.43 3issJ1 GLN 131 HB3 0.00 0.04 -0.03 -0.04 2.02 2.00 3issJ1 GLN 131 HG2 0.00 0.00 0.03 -0.04 2.40 2.39 3issJ1 GLN 131 HG3 0.00 -0.03 0.05 -0.04 2.39 2.37 3issJ1 GLN 131 HE21 -0.01 -0.10 -0.07 -0.04 6.97 6.74 3issJ1 GLN 131 HE22 -0.00 0.16 -0.10 -0.04 7.69 7.71 3issJ1 LEU 132 H 0.01 0.22 -0.54 -0.55 8.37 7.52 3issJ1 LEU 132 HA 0.01 0.26 0.65 -0.75 4.35 4.51 3issJ1 LEU 132 HB2 0.02 0.05 0.09 -0.04 1.64 1.76 3issJ1 LEU 132 HB3 0.01 -0.07 0.07 -0.04 1.64 1.61 3issJ1 LEU 132 HG 0.01 0.05 -0.08 -0.04 1.64 1.58 3issJ1 LEU 132 HD13 0.01 -0.03 -0.16 -0.04 0.93 0.71 3issJ1 LEU 132 HD23 0.01 0.00 -0.12 -0.04 0.89 0.75 3issJ1 GLY 133 H 0.01 0.41 -0.55 -0.55 8.43 7.75 3issJ1 GLY 133 HA2 0.01 -0.01 0.28 -0.51 4.01 3.78 3issJ1 GLY 133 HA3 0.01 0.07 0.58 -0.51 4.01 4.16 3issJ1 ALA 134 H 0.02 0.36 -0.12 -0.55 8.40 8.11 3issJ1 ALA 134 HA 0.01 0.19 0.55 -0.75 4.34 4.33 3issJ1 ALA 134 HB3 0.02 -0.05 -0.24 -0.04 1.41 1.11 3issJ1 THR 135 H 0.01 0.76 0.38 -0.55 8.28 8.88 3issJ1 THR 135 HA 0.01 0.12 0.92 -0.75 4.39 4.69 3issJ1 THR 135 HB 0.01 0.00 0.15 -0.04 4.32 4.44 3issJ1 THR 135 HG23 0.01 -0.02 -0.08 -0.04 1.22 1.08 3issJ1 ILE 136 H 0.02 0.19 0.11 -0.55 8.25 8.02 3issJ1 ILE 136 HA 0.03 0.44 1.15 -0.75 4.18 5.05 3issJ1 ILE 136 HB 0.02 -0.05 -0.01 -0.04 1.89 1.81 3issJ1 ILE 136 HG12 0.03 0.11 -0.28 -0.04 1.49 1.31 3issJ1 ILE 136 HG13 0.03 0.00 -0.57 -0.04 1.21 0.63 3issJ1 ILE 136 HG23 0.03 -0.03 -0.24 -0.04 0.93 0.64 3issJ1 ILE 136 HD13 0.04 -0.01 -0.14 -0.04 0.88 0.72 3issJ1 LYS 137 H 0.03 0.67 0.34 -0.55 8.42 8.91 3issJ1 LYS 137 HA 0.02 0.13 0.74 -0.75 4.32 4.45 3issJ1 LYS 137 HB2 0.02 -0.05 0.09 -0.04 1.87 1.89 3issJ1 LYS 137 HB3 0.02 0.05 -0.12 -0.04 1.79 1.71 3issJ1 LYS 137 HG2 0.02 0.09 -0.04 -0.04 1.46 1.49 3issJ1 LYS 137 HG3 0.03 -0.06 -0.23 -0.04 1.46 1.16 3issJ1 LYS 137 HD2 0.02 -0.03 -0.13 -0.04 1.69 1.50 3issJ1 LYS 137 HD3 0.02 0.01 -0.07 -0.04 1.68 1.60 3issJ1 LYS 137 HE2 0.02 -0.00 -0.09 -0.04 2.99 2.88 3issJ1 LYS 137 HE3 0.02 -0.03 -0.07 -0.04 2.99 2.86 3issJ1 LEU 138 H 0.02 0.20 0.13 -0.55 8.37 8.19 3issJ1 LEU 138 HA 0.05 0.45 1.06 -0.75 4.35 5.16 3issJ1 LEU 138 HB2 0.02 -0.01 -0.09 -0.04 1.64 1.52 3issJ1 LEU 138 HB3 0.02 -0.01 0.15 -0.04 1.64 1.75 3issJ1 LEU 138 HG 0.02 -0.11 -0.32 -0.04 1.64 1.19 3issJ1 LEU 138 HD13 0.01 0.06 -0.43 -0.04 0.93 0.53 3issJ1 LEU 138 HD23 0.00 -0.00 -0.07 -0.04 0.89 0.78 3issJ1 GLU 139 H 0.08 0.58 0.24 -0.55 8.60 8.96 3issJ1 GLU 139 HA 0.04 0.11 0.76 -0.75 4.29 4.45 3issJ1 GLU 139 HB2 0.04 -0.00 0.04 -0.04 2.09 2.12 3issJ1 GLU 139 HB3 0.03 0.07 -0.02 -0.04 1.99 2.04 3issJ1 GLU 139 HG2 0.05 0.01 -0.06 -0.04 2.34 2.30 3issJ1 GLU 139 HG3 0.05 0.00 -0.03 -0.04 2.34 2.32 3issJ1 GLU 140 H 0.04 0.20 0.13 -0.55 8.60 8.43 3issJ1 GLU 140 HA 0.05 0.05 0.33 -0.75 4.29 3.97 3issJ1 GLU 140 HB2 0.19 0.19 0.01 -0.04 2.09 2.44 3issJ1 GLU 140 HB3 0.14 0.00 0.22 -0.04 1.99 2.31 3issJ1 GLU 140 HG2 0.04 0.01 0.04 -0.04 2.34 2.39 3issJ1 GLU 140 HG3 0.05 -0.06 -0.15 -0.04 2.34 2.13 3issJ1 GLY 141 H 0.03 0.06 -0.34 -0.55 8.43 7.63 3issJ1 GLY 141 HA2 -0.04 0.01 0.22 -0.51 4.01 3.69 3issJ1 GLY 141 HA3 -0.11 0.12 0.52 -0.51 4.01 4.03 3issJ1 TYR 142 H 0.19 0.51 -0.46 -0.55 8.29 7.98 3issJ1 TYR 142 HA 0.03 0.10 0.87 -0.75 4.56 4.80 3issJ1 TYR 142 HB2 0.02 0.14 0.05 -0.04 3.06 3.23 3issJ1 TYR 142 HB3 0.03 0.03 -0.22 -0.04 2.98 2.77 3issJ1 TYR 142 HD2 0.03 0.07 -0.30 -0.04 7.15 6.90 3issJ1 TYR 142 HE2 0.03 0.04 -0.03 -0.04 6.85 6.86 3issJ1 VAL 143 H 0.06 0.61 0.27 -0.55 8.24 8.63 3issJ1 VAL 143 HA 0.06 0.16 0.92 -0.75 4.13 4.51 3issJ1 VAL 143 HB 0.02 -0.05 0.02 -0.04 2.12 2.07 3issJ1 VAL 143 HG13 0.00 0.02 0.05 -0.04 0.97 1.00 3issJ1 VAL 143 HG23 0.04 -0.02 -0.16 -0.04 0.95 0.78 3issJ1 LYS 144 H 0.06 0.80 0.36 -0.55 8.42 9.09 3issJ1 LYS 144 HA 0.06 0.24 1.04 -0.75 4.32 4.91 3issJ1 LYS 144 HB2 0.04 -0.05 0.17 -0.04 1.87 2.00 3issJ1 LYS 144 HB3 0.03 0.06 0.01 -0.04 1.79 1.86 3issJ1 LYS 144 HG2 0.06 -0.02 -0.13 -0.04 1.46 1.33 3issJ1 LYS 144 HG3 0.09 0.03 -0.12 -0.04 1.46 1.43 3issJ1 LYS 144 HD2 0.03 -0.06 -0.04 -0.04 1.69 1.58 3issJ1 LYS 144 HD3 0.01 0.05 -0.05 -0.04 1.68 1.65 3issJ1 LYS 144 HE2 -0.04 0.02 -0.06 -0.04 2.99 2.87 3issJ1 LYS 144 HE3 -0.06 -0.02 -0.08 -0.04 2.99 2.79 3issJ1 ALA 145 H 0.05 0.79 0.39 -0.55 8.40 9.08 3issJ1 ALA 145 HA 0.03 0.35 1.11 -0.75 4.34 5.07 3issJ1 ALA 145 HB3 0.04 -0.03 -0.07 -0.04 1.41 1.31 3issJ1 SER 146 H 0.02 0.44 0.34 -0.55 8.46 8.71 3issJ1 SER 146 HA -0.00 0.37 0.76 -0.75 4.49 4.86 3issJ1 SER 146 HB2 -0.01 0.04 0.07 -0.04 3.95 4.02 3issJ1 SER 146 HB3 -0.00 -0.00 -0.11 -0.04 3.93 3.77 3issJ1 VAL 147 H -0.01 0.74 0.30 -0.55 8.24 8.71 3issJ1 VAL 147 HA 0.00 0.02 0.63 -0.75 4.13 4.03 3issJ1 VAL 147 HB 0.01 -0.07 -0.26 -0.04 2.12 1.76 3issJ1 VAL 147 HG13 -0.00 0.03 -0.11 -0.04 0.97 0.85 3issJ1 VAL 147 HG23 -0.00 0.02 -0.47 -0.04 0.95 0.46 3issJ1 ASP 148 H -0.00 0.12 0.06 -0.55 8.40 8.03 3issJ1 ASP 148 HA -0.01 0.06 0.70 -0.75 4.63 4.63 3issJ1 ASP 148 HB2 -0.00 -0.05 0.13 -0.04 2.71 2.75 3issJ1 ASP 148 HB3 -0.00 0.01 0.20 -0.04 2.70 2.87 3issJ1 GLY 149 H -0.01 0.19 0.22 -0.55 8.43 8.28 3issJ1 GLY 149 HA2 -0.01 -0.02 0.34 -0.51 4.01 3.81 3issJ1 GLY 149 HA3 -0.01 0.05 0.80 -0.51 4.01 4.35 3issJ1 ARG 150 H -0.01 0.07 0.16 -0.55 8.46 8.12 3issJ1 ARG 150 HA -0.02 0.32 1.01 -0.75 4.34 4.90 3issJ1 ARG 150 HB2 -0.02 0.12 0.20 -0.04 1.90 2.16 3issJ1 ARG 150 HB3 -0.03 0.17 0.14 -0.04 1.80 2.04 3issJ1 ARG 150 HG2 -0.02 -0.20 0.07 -0.04 1.67 1.48 3issJ1 ARG 150 HG3 -0.01 -0.05 0.03 -0.04 1.67 1.60 3issJ1 ARG 150 HD2 -0.03 0.14 0.04 -0.04 3.22 3.33 3issJ1 ARG 150 HD3 -0.02 -0.13 0.01 -0.04 3.22 3.04 3issJ1 LEU 151 H -0.01 0.22 0.14 -0.55 8.37 8.17 3issJ1 LEU 151 HA 0.00 0.14 0.47 -0.75 4.35 4.21 3issJ1 LEU 151 HB2 0.00 -0.02 -0.04 -0.04 1.64 1.54 3issJ1 LEU 151 HB3 0.01 0.11 0.06 -0.04 1.64 1.78 3issJ1 LEU 151 HG 0.00 0.06 -0.08 -0.04 1.64 1.58 3issJ1 LEU 151 HD13 0.02 -0.01 -0.16 -0.04 0.93 0.73 3issJ1 LEU 151 HD23 0.01 -0.02 -0.27 -0.04 0.89 0.56 3issJ1 LYS 152 H 0.00 0.59 0.21 -0.55 8.42 8.68 3issJ1 LYS 152 HA -0.00 0.06 1.03 -0.75 4.32 4.66 3issJ1 LYS 152 HB2 0.01 -0.01 0.07 -0.04 1.87 1.90 3issJ1 LYS 152 HB3 0.00 0.05 0.04 -0.04 1.79 1.84 3issJ1 LYS 152 HG2 -0.00 0.03 -0.08 -0.04 1.46 1.37 3issJ1 LYS 152 HG3 0.00 0.06 -0.05 -0.04 1.46 1.43 3issJ1 LYS 152 HD2 0.00 -0.04 0.03 -0.04 1.69 1.64 3issJ1 LYS 152 HD3 0.00 -0.03 0.01 -0.04 1.68 1.62 3issJ1 LYS 152 HE2 0.00 -0.00 0.01 -0.04 2.99 2.96 3issJ1 LYS 152 HE3 0.01 0.09 -0.00 -0.04 2.99 3.04 3issJ1 GLY 153 H 0.00 0.51 -0.05 -0.55 8.43 8.35 3issJ1 GLY 153 HA2 0.01 -0.08 0.16 -0.51 4.01 3.59 3issJ1 GLY 153 HA3 0.01 -0.03 -0.24 -0.51 4.01 3.24 3issJ1 ALA 154 H 0.03 0.07 0.26 -0.55 8.40 8.21 3issJ1 ALA 154 HA 0.04 0.11 0.69 -0.75 4.34 4.43 3issJ1 ALA 154 HB3 0.03 0.03 -0.03 -0.04 1.41 1.39 3issJ1 HIS 155 H 0.12 0.20 0.16 -0.55 8.41 8.35 3issJ1 HIS 155 HA -0.00 0.10 0.92 -0.75 4.63 4.90 3issJ1 HIS 155 HB2 -0.00 0.01 0.11 -0.04 3.26 3.34 3issJ1 HIS 155 HB3 -0.00 -0.01 0.22 -0.04 3.20 3.36 3issJ1 HIS 155 HD2 -0.00 0.05 0.03 -0.04 6.97 7.00 3issJ1 HIS 155 HE1 -0.00 -0.03 -0.06 -0.04 7.75 7.62 3issJ1 ILE 156 H -0.02 0.84 0.36 -0.55 8.25 8.88 3issJ1 ILE 156 HA -0.09 0.16 0.96 -0.75 4.18 4.46 3issJ1 ILE 156 HB -0.03 -0.05 0.11 -0.04 1.89 1.89 3issJ1 ILE 156 HG12 -0.01 0.07 -0.34 -0.04 1.49 1.18 3issJ1 ILE 156 HG13 0.01 0.07 -0.38 -0.04 1.21 0.87 3issJ1 ILE 156 HG23 -0.03 -0.02 -0.16 -0.04 0.93 0.68 3issJ1 ILE 156 HD13 0.00 0.00 -0.11 -0.04 0.88 0.74 3issJ1 VAL 157 H -0.13 0.23 0.14 -0.55 8.24 7.93 3issJ1 VAL 157 HA -0.12 0.09 0.96 -0.75 4.13 4.31 3issJ1 VAL 157 HB -0.10 -0.00 0.12 -0.04 2.12 2.10 3issJ1 VAL 157 HG13 -0.06 0.00 -0.19 -0.04 0.97 0.68 3issJ1 VAL 157 HG23 -0.28 0.01 -0.12 -0.04 0.95 0.52 3issJ1 MET 158 H -0.05 0.66 0.18 -0.55 8.47 8.73 3issJ1 MET 158 HA -0.03 -0.03 0.37 -0.75 4.52 4.08 3issJ1 MET 158 HB2 -0.02 0.16 0.08 -0.04 2.15 2.34 3issJ1 MET 158 HB3 -0.02 -0.07 0.02 -0.04 2.03 1.91 3issJ1 MET 158 HG2 -0.03 -0.04 -0.16 -0.04 2.63 2.35 3issJ1 MET 158 HG3 -0.02 0.12 -0.14 -0.04 2.56 2.47 3issJ1 MET 158 HE3 -0.03 -0.00 -0.09 -0.04 2.10 1.93 3issJ1 ASP 159 H -0.02 0.08 0.19 -0.55 8.40 8.10 3issJ1 ASP 159 HA -0.01 0.09 0.33 -0.75 4.63 4.28 3issJ1 ASP 159 HB2 -0.01 -0.05 0.17 -0.04 2.71 2.78 3issJ1 ASP 159 HB3 -0.01 -0.03 -0.04 -0.04 2.70 2.58 3issJ1 LYS 160 H -0.01 0.04 -0.05 -0.55 8.42 7.84 3issJ1 LYS 160 HA -0.01 0.27 0.63 -0.75 4.32 4.46 3issJ1 LYS 160 HB2 -0.01 -0.01 0.06 -0.04 1.87 1.87 3issJ1 LYS 160 HB3 -0.01 0.11 0.09 -0.04 1.79 1.94 3issJ1 LYS 160 HG2 -0.00 -0.09 -0.16 -0.04 1.46 1.16 3issJ1 LYS 160 HG3 -0.00 -0.07 -0.12 -0.04 1.46 1.23 3issJ1 LYS 160 HD2 -0.01 0.04 -0.02 -0.04 1.69 1.66 3issJ1 LYS 160 HD3 -0.00 0.06 -0.06 -0.04 1.68 1.64 3issJ1 LYS 160 HE2 0.00 -0.02 -0.05 -0.04 2.99 2.88 3issJ1 LYS 160 HE3 0.01 -0.06 -0.05 -0.04 2.99 2.84 3issJ1 VAL 161 H -0.01 0.15 0.12 -0.55 8.24 7.95 3issJ1 VAL 161 HA -0.01 0.26 0.48 -0.75 4.13 4.10 3issJ1 VAL 161 HB -0.01 -0.02 0.18 -0.04 2.12 2.22 3issJ1 VAL 161 HG13 0.00 -0.04 -0.20 -0.04 0.97 0.69 3issJ1 VAL 161 HG23 -0.00 0.07 -0.05 -0.04 0.95 0.93 3issJ1 SER 162 H -0.00 0.29 0.17 -0.55 8.46 8.37 3issJ1 SER 162 HA 0.00 0.16 0.91 -0.75 4.49 4.81 3issJ1 SER 162 HB2 0.00 0.16 -0.15 -0.04 3.95 3.93 3issJ1 SER 162 HB3 -0.02 0.12 0.03 -0.04 3.93 4.01 3issJ1 VAL 163 H 0.05 0.22 0.14 -0.55 8.24 8.09 3issJ1 VAL 163 HA 0.08 0.09 0.52 -0.75 4.13 4.06 3issJ1 VAL 163 HB 0.12 -0.01 0.14 -0.04 2.12 2.34 3issJ1 VAL 163 HG13 0.22 0.02 -0.13 -0.04 0.97 1.04 3issJ1 VAL 163 HG23 0.06 -0.00 0.07 -0.04 0.95 1.03 3issJ1 GLY 164 H 0.13 0.09 -0.06 -0.55 8.43 8.04 3issJ1 GLY 164 HA2 0.59 0.13 0.30 -0.51 4.01 4.52 3issJ1 GLY 164 HA3 0.22 0.09 0.25 -0.51 4.01 4.06 3issJ1 ALA 165 H -0.12 0.04 -0.25 -0.55 8.40 7.52 3issJ1 ALA 165 HA -0.80 0.12 0.37 -0.75 4.34 3.28 3issJ1 ALA 165 HB3 -0.26 0.03 -0.14 -0.04 1.41 1.00 3issJ1 THR 166 H -0.02 0.33 -0.20 -0.55 8.28 7.84 3issJ1 THR 166 HA -0.02 0.09 0.42 -0.75 4.39 4.13 3issJ1 THR 166 HB 0.03 0.05 0.22 -0.04 4.32 4.58 3issJ1 THR 166 HG23 0.00 0.04 -0.07 -0.04 1.22 1.16 3issJ1 VAL 167 H 0.11 0.39 -0.23 -0.55 8.24 7.95 3issJ1 VAL 167 HA -0.06 0.05 0.37 -0.75 4.13 3.74 3issJ1 VAL 167 HB 0.25 0.06 0.13 -0.04 2.12 2.53 3issJ1 VAL 167 HG13 -0.79 0.01 -0.17 -0.04 0.97 -0.02 3issJ1 VAL 167 HG23 -0.11 -0.01 0.00 -0.04 0.95 0.80 3issJ1 THR 168 H 0.18 0.37 -0.13 -0.55 8.28 8.15 3issJ1 THR 168 HA 0.15 0.07 0.36 -0.75 4.39 4.21 3issJ1 THR 168 HB 0.02 -0.02 0.16 -0.04 4.32 4.43 3issJ1 THR 168 HG23 0.15 -0.00 -0.18 -0.04 1.22 1.14 3issJ1 ILE 169 H 0.00 0.56 -0.16 -0.55 8.25 8.10 3issJ1 ILE 169 HA 0.02 0.08 0.29 -0.75 4.18 3.82 3issJ1 ILE 169 HB -0.01 0.02 0.09 -0.04 1.89 1.96 3issJ1 ILE 169 HG12 0.00 0.02 -0.11 -0.04 1.49 1.36 3issJ1 ILE 169 HG13 -0.02 -0.05 0.01 -0.04 1.21 1.12 3issJ1 ILE 169 HG23 0.00 0.01 -0.18 -0.04 0.93 0.72 3issJ1 ILE 169 HD13 -0.03 -0.01 -0.07 -0.04 0.88 0.74 3issJ1 MET 170 H -0.01 0.57 -0.10 -0.55 8.47 8.38 3issJ1 MET 170 HA -0.01 -0.00 0.23 -0.75 4.52 3.98 3issJ1 MET 170 HB2 -0.02 -0.02 0.06 -0.04 2.15 2.13 3issJ1 MET 170 HB3 -0.03 0.03 0.07 -0.04 2.03 2.06 3issJ1 MET 170 HG2 -0.03 0.06 -0.33 -0.04 2.63 2.30 3issJ1 MET 170 HG3 -0.02 -0.02 -0.08 -0.04 2.56 2.41 3issJ1 MET 170 HE3 -0.06 0.02 -0.13 -0.04 2.10 1.90 3issJ1 CYS 171 H -0.02 0.50 -0.28 -0.55 8.50 8.15 3issJ1 CYS 171 HA -0.02 0.03 0.38 -0.75 4.58 4.22 3issJ1 CYS 171 HB2 -0.01 0.07 0.07 -0.04 2.97 3.06 3issJ1 CYS 171 HB3 0.01 0.03 -0.06 -0.04 2.97 2.90 3issJ1 ALA 172 H 0.02 0.44 -0.18 -0.55 8.40 8.14 3issJ1 ALA 172 HA 0.03 0.08 0.21 -0.75 4.34 3.91 3issJ1 ALA 172 HB3 0.03 -0.02 0.00 -0.04 1.41 1.39 3issJ1 ALA 173 H 0.00 0.46 -0.39 -0.55 8.40 7.93 3issJ1 ALA 173 HA 0.00 0.04 0.18 -0.75 4.34 3.81 3issJ1 ALA 173 HB3 0.00 -0.00 -0.01 -0.04 1.41 1.35 3issJ1 THR 174 H -0.01 0.35 -0.45 -0.55 8.28 7.62 3issJ1 THR 174 HA -0.02 -0.04 0.13 -0.75 4.39 3.70 3issJ1 THR 174 HB -0.04 -0.08 0.05 -0.04 4.32 4.22 3issJ1 THR 174 HG23 -0.03 0.02 0.02 -0.04 1.22 1.18 3issJ1 LEU 175 H -0.01 0.29 -0.66 -0.55 8.37 7.43 3issJ1 LEU 175 HA -0.03 0.36 0.98 -0.75 4.35 4.91 3issJ1 LEU 175 HB2 -0.02 -0.00 -0.01 -0.04 1.64 1.57 3issJ1 LEU 175 HB3 -0.04 0.06 0.17 -0.04 1.64 1.79 3issJ1 LEU 175 HG -0.03 -0.11 -0.25 -0.04 1.64 1.21 3issJ1 LEU 175 HD13 -0.06 0.01 -0.09 -0.04 0.93 0.75 3issJ1 LEU 175 HD23 -0.04 0.04 -0.23 -0.04 0.89 0.62 3issJ1 ALA 176 H -0.01 0.55 -0.07 -0.55 8.40 8.31 3issJ1 ALA 176 HA -0.01 0.21 0.77 -0.75 4.34 4.56 3issJ1 ALA 176 HB3 -0.00 -0.03 -0.26 -0.04 1.41 1.07 3issJ1 GLU 177 H -0.01 0.83 0.35 -0.55 8.60 9.22 3issJ1 GLU 177 HA -0.01 0.09 0.73 -0.75 4.29 4.35 3issJ1 GLU 177 HB2 -0.01 0.12 0.26 -0.04 2.09 2.42 3issJ1 GLU 177 HB3 -0.01 -0.09 0.06 -0.04 1.99 1.92 3issJ1 GLU 177 HG2 -0.01 -0.05 0.04 -0.04 2.34 2.27 3issJ1 GLU 177 HG3 -0.01 0.09 -0.01 -0.04 2.34 2.37 3issJ1 GLY 178 H -0.01 0.26 0.21 -0.55 8.43 8.35 3issJ1 GLY 178 HA2 -0.01 0.01 0.35 -0.51 4.01 3.85 3issJ1 GLY 178 HA3 -0.00 0.12 0.63 -0.51 4.01 4.24 3issJ1 THR 179 H -0.00 0.15 0.18 -0.55 8.28 8.05 3issJ1 THR 179 HA -0.00 0.41 1.04 -0.75 4.39 5.08 3issJ1 THR 179 HB -0.01 -0.05 0.08 -0.04 4.32 4.30 3issJ1 THR 179 HG23 -0.00 -0.01 -0.29 -0.04 1.22 0.87 3issJ1 THR 180 H 0.01 0.76 0.42 -0.55 8.28 8.91 3issJ1 THR 180 HA 0.03 0.21 1.05 -0.75 4.39 4.93 3issJ1 THR 180 HB 0.01 -0.03 0.13 -0.04 4.32 4.39 3issJ1 THR 180 HG23 0.02 0.02 -0.05 -0.04 1.22 1.17 3issJ1 ILE 181 H 0.09 0.61 0.33 -0.55 8.25 8.73 3issJ1 ILE 181 HA 0.05 0.34 1.08 -0.75 4.18 4.90 3issJ1 ILE 181 HB 0.30 -0.07 0.11 -0.04 1.89 2.20 3issJ1 ILE 181 HG12 0.02 0.03 -0.09 -0.04 1.49 1.41 3issJ1 ILE 181 HG13 0.02 -0.02 -0.56 -0.04 1.21 0.61 3issJ1 ILE 181 HG23 0.13 -0.02 -0.23 -0.04 0.93 0.78 3issJ1 ILE 181 HD13 -0.08 -0.01 -0.12 -0.04 0.88 0.63 3issJ1 ILE 182 H 0.03 0.69 0.30 -0.55 8.25 8.72 3issJ1 ILE 182 HA -0.01 0.29 1.04 -0.75 4.18 4.75 3issJ1 ILE 182 HB 0.01 -0.12 0.20 -0.04 1.89 1.93 3issJ1 ILE 182 HG12 0.00 0.05 -0.11 -0.04 1.49 1.39 3issJ1 ILE 182 HG13 0.01 0.06 -0.11 -0.04 1.21 1.13 3issJ1 ILE 182 HG23 -0.01 -0.01 -0.12 -0.04 0.93 0.74 3issJ1 ILE 182 HD13 -0.00 -0.02 -0.08 -0.04 0.88 0.74 3issJ1 GLU 183 H -0.06 0.80 0.42 -0.55 8.60 9.22 3issJ1 GLU 183 HA 0.01 0.17 0.94 -0.75 4.29 4.66 3issJ1 GLU 183 HB2 -0.10 -0.07 0.15 -0.04 2.09 2.03 3issJ1 GLU 183 HB3 -0.02 -0.02 0.03 -0.04 1.99 1.95 3issJ1 GLU 183 HG2 -0.00 0.04 -0.26 -0.04 2.34 2.08 3issJ1 GLU 183 HG3 -0.11 -0.00 -0.12 -0.04 2.34 2.07 3issJ1 ASN 184 H 0.00 0.21 0.25 -0.55 8.53 8.45 3issJ1 ASN 184 HA -0.00 -0.01 0.37 -0.75 4.76 4.36 3issJ1 ASN 184 HB2 -0.01 -0.06 -0.13 -0.04 2.88 2.64 3issJ1 ASN 184 HB3 -0.02 0.15 0.29 -0.04 2.79 3.17 3issJ1 ASN 184 HD21 -0.01 -0.14 -0.11 -0.04 7.03 6.73 3issJ1 ASN 184 HD22 -0.01 0.48 -0.12 -0.04 7.74 8.04 3issJ1 ALA 185 H 0.00 0.58 0.02 -0.55 8.40 8.45 3issJ1 ALA 185 HA -0.00 -0.01 0.39 -0.75 4.34 3.96 3issJ1 ALA 185 HB3 0.00 0.03 -0.08 -0.04 1.41 1.32 3issJ1 ALA 186 H 0.01 0.07 0.12 -0.55 8.40 8.05 3issJ1 ALA 186 HA 0.02 0.13 0.55 -0.75 4.34 4.28 3issJ1 ALA 186 HB3 0.03 -0.05 -0.07 -0.04 1.41 1.28 3issJ1 ARG 187 H 0.06 0.14 0.06 -0.55 8.46 8.17 3issJ1 ARG 187 HA 0.04 0.20 0.68 -0.75 4.34 4.51 3issJ1 ARG 187 HB2 0.10 0.07 -0.09 -0.04 1.90 1.94 3issJ1 ARG 187 HB3 0.11 0.11 0.03 -0.04 1.80 2.00 3issJ1 ARG 187 HG2 0.03 0.15 -0.30 -0.04 1.67 1.51 3issJ1 ARG 187 HG3 0.03 0.11 -0.78 -0.04 1.67 0.99 3issJ1 ARG 187 HD2 0.02 0.01 -0.25 -0.04 3.22 2.96 3issJ1 ARG 187 HD3 0.03 -0.13 -0.08 -0.04 3.22 3.00 3issJ1 GLU 188 H 0.04 -0.03 -0.16 -0.55 8.60 7.90 3issJ1 GLU 188 HA -0.23 0.14 0.42 -0.75 4.29 3.87 3issJ1 GLU 188 HB2 0.01 0.02 0.08 -0.04 2.09 2.16 3issJ1 GLU 188 HB3 -0.05 -0.14 0.02 -0.04 1.99 1.78 3issJ1 GLU 188 HG2 0.01 -0.01 0.07 -0.04 2.34 2.37 3issJ1 GLU 188 HG3 -0.06 0.08 0.13 -0.04 2.34 2.44 3issJ1 PRO 189 HA -0.08 0.19 0.48 -0.51 4.44 4.53 3issJ1 PRO 189 HB2 -0.11 -0.05 0.07 -0.04 2.28 2.15 3issJ1 PRO 189 HB3 -0.09 0.12 0.14 -0.04 2.02 2.15 3issJ1 PRO 189 HG2 -0.29 0.03 0.18 -0.04 2.03 1.91 3issJ1 PRO 189 HG3 -0.36 0.18 0.18 -0.04 2.03 1.99 3issJ1 PRO 189 HD2 -0.40 -0.03 0.27 -0.04 3.68 3.48 3issJ1 PRO 189 HD3 -1.32 0.21 0.26 -0.04 3.65 2.75 3issJ1 GLU 190 H -0.07 0.06 -0.30 -0.55 8.60 7.73 3issJ1 GLU 190 HA -0.03 0.08 0.36 -0.75 4.29 3.95 3issJ1 GLU 190 HB2 -0.00 -0.05 -0.05 -0.04 2.09 1.95 3issJ1 GLU 190 HB3 -0.02 0.24 -0.02 -0.04 1.99 2.15 3issJ1 GLU 190 HG2 0.01 -0.07 -0.37 -0.04 2.34 1.86 3issJ1 GLU 190 HG3 -0.02 0.03 -0.13 -0.04 2.34 2.17 3issJ1 ILE 191 H -0.03 0.34 -0.39 -0.55 8.25 7.61 3issJ1 ILE 191 HA -0.05 0.12 0.52 -0.75 4.18 4.01 3issJ1 ILE 191 HB -0.01 0.20 -0.05 -0.04 1.89 2.00 3issJ1 ILE 191 HG12 0.00 0.06 -0.04 -0.04 1.49 1.47 3issJ1 ILE 191 HG13 0.01 -0.18 -0.05 -0.04 1.21 0.95 3issJ1 ILE 191 HG23 -0.01 0.04 -0.16 -0.04 0.93 0.75 3issJ1 ILE 191 HD13 0.03 -0.01 -0.04 -0.04 0.88 0.81 3issJ1 VAL 192 H -0.02 0.29 -0.23 -0.55 8.24 7.73 3issJ1 VAL 192 HA -0.00 0.04 0.39 -0.75 4.13 3.80 3issJ1 VAL 192 HB -0.00 0.19 0.20 -0.04 2.12 2.47 3issJ1 VAL 192 HG13 0.02 0.01 -0.16 -0.04 0.97 0.80 3issJ1 VAL 192 HG23 0.01 0.02 -0.18 -0.04 0.95 0.76 3issJ1 ASP 193 H 0.00 0.44 -0.04 -0.55 8.40 8.25 3issJ1 ASP 193 HA 0.13 0.08 0.36 -0.75 4.63 4.45 3issJ1 ASP 193 HB2 0.03 0.02 0.15 -0.04 2.71 2.87 3issJ1 ASP 193 HB3 0.02 0.06 0.02 -0.04 2.70 2.76 3issJ1 THR 194 H -0.05 0.34 -0.40 -0.55 8.28 7.63 3issJ1 THR 194 HA -0.11 0.02 0.26 -0.75 4.39 3.81 3issJ1 THR 194 HB -0.10 0.08 0.09 -0.04 4.32 4.35 3issJ1 THR 194 HG23 -0.14 0.00 -0.18 -0.04 1.22 0.86 3issJ1 ALA 195 H -0.04 0.45 -0.27 -0.55 8.40 7.99 3issJ1 ALA 195 HA -0.04 0.07 0.49 -0.75 4.34 4.11 3issJ1 ALA 195 HB3 -0.02 0.01 0.05 -0.04 1.41 1.41 3issJ1 ASN 196 H -0.01 0.57 -0.12 -0.55 8.53 8.42 3issJ1 ASN 196 HA 0.00 0.04 0.44 -0.75 4.76 4.49 3issJ1 ASN 196 HB2 0.17 0.04 0.13 -0.04 2.88 3.17 3issJ1 ASN 196 HB3 0.24 -0.02 0.03 -0.04 2.79 3.00 3issJ1 ASN 196 HD21 0.06 -0.03 -0.05 -0.04 7.03 6.96 3issJ1 ASN 196 HD22 0.12 -0.04 -0.05 -0.04 7.74 7.73 3issJ1 PHE 197 H -0.28 0.52 -0.16 -0.55 8.34 7.87 3issJ1 PHE 197 HA -0.76 0.03 0.51 -0.75 4.62 3.65 3issJ1 PHE 197 HB2 -1.11 -0.07 -0.01 -0.04 3.15 1.92 3issJ1 PHE 197 HB3 -0.42 0.10 0.10 -0.04 3.06 2.80 3issJ1 PHE 197 HD2 -0.20 -0.00 -0.13 -0.04 7.28 6.90 3issJ1 PHE 197 HE2 -0.05 0.00 -0.26 -0.04 7.38 7.02 3issJ1 PHE 197 HZ -0.05 0.03 -0.17 -0.04 7.32 7.09 3issJ1 LEU 198 H -0.08 0.49 -0.17 -0.55 8.37 8.06 3issJ1 LEU 198 HA -0.36 0.06 0.31 -0.75 4.35 3.61 3issJ1 LEU 198 HB2 -0.07 0.08 0.16 -0.04 1.64 1.77 3issJ1 LEU 198 HB3 -0.09 -0.03 -0.07 -0.04 1.64 1.42 3issJ1 LEU 198 HG 0.03 0.10 0.03 -0.04 1.64 1.77 3issJ1 LEU 198 HD13 -0.03 -0.03 -0.12 -0.04 0.93 0.71 3issJ1 LEU 198 HD23 -0.05 0.00 -0.04 -0.04 0.89 0.76 3issJ1 ILE 199 H -0.11 0.54 -0.17 -0.55 8.25 7.97 3issJ1 ILE 199 HA -0.07 0.19 0.51 -0.75 4.18 4.05 3issJ1 ILE 199 HB -0.03 0.04 0.16 -0.04 1.89 2.01 3issJ1 ILE 199 HG12 -0.03 0.02 0.07 -0.04 1.49 1.51 3issJ1 ILE 199 HG13 -0.04 0.01 -0.00 -0.04 1.21 1.13 3issJ1 ILE 199 HG23 -0.02 0.01 -0.07 -0.04 0.93 0.81 3issJ1 ILE 199 HD13 -0.01 0.01 -0.00 -0.04 0.88 0.83 3issJ1 THR 200 H -0.13 0.39 -0.29 -0.55 8.28 7.70 3issJ1 THR 200 HA -0.04 -0.02 0.41 -0.75 4.39 3.98 3issJ1 THR 200 HB -0.17 0.22 0.16 -0.04 4.32 4.49 3issJ1 THR 200 HG23 0.02 -0.00 -0.08 -0.04 1.22 1.12 3issJ1 LEU 201 H -0.29 0.32 -0.46 -0.55 8.37 7.39 3issJ1 LEU 201 HA -0.15 0.18 0.53 -0.75 4.35 4.15 3issJ1 LEU 201 HB2 -0.27 0.12 0.00 -0.04 1.64 1.45 3issJ1 LEU 201 HB3 -0.18 -0.09 -0.01 -0.04 1.64 1.32 3issJ1 LEU 201 HG -0.85 0.11 -0.16 -0.04 1.64 0.69 3issJ1 LEU 201 HD13 -0.41 -0.02 -0.16 -0.04 0.93 0.30 3issJ1 LEU 201 HD23 -0.22 0.07 -0.36 -0.04 0.89 0.34 3issJ1 GLY 202 H -0.10 0.51 -0.39 -0.55 8.43 7.91 3issJ1 GLY 202 HA2 -0.05 -0.01 0.33 -0.51 4.01 3.77 3issJ1 GLY 202 HA3 -0.06 0.08 0.90 -0.51 4.01 4.42 3issJ1 ALA 203 H -0.10 0.32 0.23 -0.55 8.40 8.31 3issJ1 ALA 203 HA -0.05 0.19 0.62 -0.75 4.34 4.35 3issJ1 ALA 203 HB3 -0.07 -0.05 -0.20 -0.04 1.41 1.05 3issJ1 LYS 204 H -0.03 0.32 0.14 -0.55 8.42 8.29 3issJ1 LYS 204 HA -0.02 0.14 0.97 -0.75 4.32 4.65 3issJ1 LYS 204 HB2 -0.02 0.16 0.29 -0.04 1.87 2.27 3issJ1 LYS 204 HB3 -0.02 -0.09 0.07 -0.04 1.79 1.71 3issJ1 LYS 204 HG2 -0.02 -0.01 -0.07 -0.04 1.46 1.32 3issJ1 LYS 204 HG3 -0.03 0.11 -0.21 -0.04 1.46 1.30 3issJ1 LYS 204 HD2 -0.02 0.13 -0.04 -0.04 1.69 1.72 3issJ1 LYS 204 HD3 -0.02 -0.11 -0.01 -0.04 1.68 1.51 3issJ1 LYS 204 HE2 -0.02 -0.03 -0.02 -0.04 2.99 2.88 3issJ1 LYS 204 HE3 -0.02 0.07 0.00 -0.04 2.99 3.00 3issJ1 ILE 205 H -0.02 0.26 0.10 -0.55 8.25 8.04 3issJ1 ILE 205 HA -0.01 0.41 1.17 -0.75 4.18 4.99 3issJ1 ILE 205 HB -0.02 -0.01 -0.01 -0.04 1.89 1.81 3issJ1 ILE 205 HG12 -0.02 0.05 -0.12 -0.04 1.49 1.36 3issJ1 ILE 205 HG13 -0.03 -0.07 -0.57 -0.04 1.21 0.51 3issJ1 ILE 205 HG23 -0.01 -0.04 -0.19 -0.04 0.93 0.64 3issJ1 ILE 205 HD13 -0.04 0.01 -0.10 -0.04 0.88 0.71 3issJ1 SER 206 H -0.00 0.65 0.39 -0.55 8.46 8.96 3issJ1 SER 206 HA -0.00 0.11 0.83 -0.75 4.49 4.67 3issJ1 SER 206 HB2 -0.00 -0.03 0.10 -0.04 3.95 3.97 3issJ1 SER 206 HB3 -0.00 0.09 -0.15 -0.04 3.93 3.83 3issJ1 GLY 207 H 0.00 0.18 0.17 -0.55 8.43 8.24 3issJ1 GLY 207 HA2 0.01 0.00 0.34 -0.51 4.01 3.85 3issJ1 GLY 207 HA3 0.01 0.39 0.79 -0.51 4.01 4.69 3issJ1 GLN 208 H 0.00 0.05 -0.21 -0.55 8.47 7.76 3issJ1 GLN 208 HA 0.01 0.06 0.34 -0.75 4.36 4.01 3issJ1 GLN 208 HB2 0.00 -0.03 -0.08 -0.04 2.15 1.99 3issJ1 GLN 208 HB3 -0.00 0.05 -0.03 -0.04 2.02 2.00 3issJ1 GLN 208 HG2 0.01 -0.01 0.01 -0.04 2.40 2.37 3issJ1 GLN 208 HG3 0.01 0.04 -0.01 -0.04 2.39 2.39 3issJ1 GLN 208 HE21 0.00 0.18 -0.06 -0.04 6.97 7.05 3issJ1 GLN 208 HE22 0.01 -0.00 -0.07 -0.04 7.69 7.59 3issJ1 GLY 209 H 0.01 0.19 0.11 -0.55 8.43 8.20 3issJ1 GLY 209 HA2 0.04 0.03 0.32 -0.51 4.01 3.89 3issJ1 GLY 209 HA3 0.03 0.11 0.64 -0.51 4.01 4.28 3issJ1 THR 210 H 0.02 0.50 -0.20 -0.55 8.28 8.05 3issJ1 THR 210 HA 0.02 0.18 0.84 -0.75 4.39 4.68 3issJ1 THR 210 HB 0.01 -0.10 0.16 -0.04 4.32 4.35 3issJ1 THR 210 HG23 0.01 0.03 -0.21 -0.04 1.22 1.01 3issJ1 ASP 211 H 0.01 0.15 0.12 -0.55 8.40 8.13 3issJ1 ASP 211 HA 0.01 0.24 0.36 -0.75 4.63 4.49 3issJ1 ASP 211 HB2 0.01 -0.14 0.20 -0.04 2.71 2.73 3issJ1 ASP 211 HB3 0.01 0.06 0.09 -0.04 2.70 2.82 3issJ1 ARG 212 H 0.01 0.08 -0.40 -0.55 8.46 7.60 3issJ1 ARG 212 HA 0.02 0.45 1.20 -0.75 4.34 5.26 3issJ1 ARG 212 HB2 0.03 -0.06 -0.08 -0.04 1.90 1.75 3issJ1 ARG 212 HB3 0.02 -0.05 0.08 -0.04 1.80 1.81 3issJ1 ARG 212 HG2 0.02 -0.02 -0.26 -0.04 1.67 1.36 3issJ1 ARG 212 HG3 0.04 0.12 -0.17 -0.04 1.67 1.62 3issJ1 ARG 212 HD2 0.07 0.02 -0.14 -0.04 3.22 3.13 3issJ1 ARG 212 HD3 0.05 -0.05 -0.08 -0.04 3.22 3.10 3issJ1 ILE 213 H 0.02 0.47 0.24 -0.55 8.25 8.43 3issJ1 ILE 213 HA 0.01 0.27 1.02 -0.75 4.18 4.73 3issJ1 ILE 213 HB 0.01 -0.06 0.08 -0.04 1.89 1.87 3issJ1 ILE 213 HG12 0.01 0.04 -0.47 -0.04 1.49 1.02 3issJ1 ILE 213 HG13 0.01 0.00 -0.28 -0.04 1.21 0.90 3issJ1 ILE 213 HG23 -0.00 -0.00 -0.21 -0.04 0.93 0.67 3issJ1 ILE 213 HD13 -0.00 -0.01 -0.10 -0.04 0.88 0.73 3issJ1 VAL 214 H 0.00 0.81 0.38 -0.55 8.24 8.89 3issJ1 VAL 214 HA 0.01 0.31 1.16 -0.75 4.13 4.87 3issJ1 VAL 214 HB 0.00 -0.07 0.13 -0.04 2.12 2.14 3issJ1 VAL 214 HG13 -0.00 0.01 -0.20 -0.04 0.97 0.73 3issJ1 VAL 214 HG23 0.01 -0.01 -0.16 -0.04 0.95 0.74 3issJ1 ILE 215 H 0.01 0.75 0.34 -0.55 8.25 8.80 3issJ1 ILE 215 HA -0.01 0.32 1.19 -0.75 4.18 4.93 3issJ1 ILE 215 HB -0.00 -0.08 0.09 -0.04 1.89 1.85 3issJ1 ILE 215 HG12 -0.01 0.12 -0.07 -0.04 1.49 1.49 3issJ1 ILE 215 HG13 -0.01 -0.03 -0.32 -0.04 1.21 0.82 3issJ1 ILE 215 HG23 -0.01 0.03 -0.35 -0.04 0.93 0.55 3issJ1 ILE 215 HD13 0.00 -0.01 -0.21 -0.04 0.88 0.62 3issJ1 GLU 216 H -0.01 0.69 0.28 -0.55 8.60 9.00 3issJ1 GLU 216 HA -0.01 0.07 0.83 -0.75 4.29 4.42 3issJ1 GLU 216 HB2 -0.01 -0.10 0.00 -0.04 2.09 1.94 3issJ1 GLU 216 HB3 -0.01 -0.01 0.19 -0.04 1.99 2.12 3issJ1 GLU 216 HG2 -0.01 -0.04 -0.04 -0.04 2.34 2.21 3issJ1 GLU 216 HG3 -0.01 0.25 -0.19 -0.04 2.34 2.34 3issJ1 GLY 217 H -0.01 0.59 0.23 -0.55 8.43 8.70 3issJ1 GLY 217 HA2 -0.02 0.04 0.33 -0.51 4.01 3.86 3issJ1 GLY 217 HA3 -0.01 0.39 0.41 -0.51 4.01 4.28 3issJ1 VAL 218 H -0.03 0.57 0.37 -0.55 8.24 8.60 3issJ1 VAL 218 HA -0.02 0.08 0.83 -0.75 4.13 4.26 3issJ1 VAL 218 HB -0.03 -0.14 0.24 -0.04 2.12 2.16 3issJ1 VAL 218 HG13 -0.03 0.07 0.04 -0.04 0.97 1.01 3issJ1 VAL 218 HG23 -0.04 0.05 -0.10 -0.04 0.95 0.82 3issJ1 GLU 219 H -0.03 0.06 0.19 -0.55 8.60 8.28 3issJ1 GLU 219 HA -0.03 0.25 0.50 -0.75 4.29 4.26 3issJ1 GLU 219 HB2 -0.03 0.02 0.13 -0.04 2.09 2.17 3issJ1 GLU 219 HB3 -0.02 -0.06 0.07 -0.04 1.99 1.94 3issJ1 GLU 219 HG2 -0.02 -0.04 0.10 -0.04 2.34 2.33 3issJ1 GLU 219 HG3 -0.03 0.05 -0.16 -0.04 2.34 2.16 3issJ1 ARG 220 H -0.03 0.13 0.04 -0.55 8.46 8.04 3issJ1 ARG 220 HA -0.05 0.18 0.42 -0.75 4.34 4.14 3issJ1 ARG 220 HB2 -0.04 0.07 0.16 -0.04 1.90 2.05 3issJ1 ARG 220 HB3 -0.04 0.10 -0.13 -0.04 1.80 1.68 3issJ1 ARG 220 HG2 -0.03 -0.09 -0.05 -0.04 1.67 1.46 3issJ1 ARG 220 HG3 -0.03 0.03 -0.23 -0.04 1.67 1.40 3issJ1 ARG 220 HD2 -0.02 -0.04 -0.10 -0.04 3.22 3.02 3issJ1 ARG 220 HD3 -0.02 -0.07 -0.05 -0.04 3.22 3.04 3issJ1 LEU 221 H -0.05 0.30 0.19 -0.55 8.37 8.27 3issJ1 LEU 221 HA -0.06 0.24 0.93 -0.75 4.35 4.71 3issJ1 LEU 221 HB2 -0.05 0.14 -0.06 -0.04 1.64 1.63 3issJ1 LEU 221 HB3 -0.09 -0.02 -0.06 -0.04 1.64 1.43 3issJ1 LEU 221 HG -0.05 -0.03 -0.43 -0.04 1.64 1.09 3issJ1 LEU 221 HD13 -0.05 -0.01 -0.16 -0.04 0.93 0.68 3issJ1 LEU 221 HD23 -0.08 0.00 -0.31 -0.04 0.89 0.46 3issJ1 GLY 222 H -0.06 0.67 0.28 -0.55 8.43 8.76 3issJ1 GLY 222 HA2 -0.02 0.05 0.70 -0.51 4.01 4.23 3issJ1 GLY 222 HA3 -0.03 0.00 0.46 -0.51 4.01 3.93 3issJ1 GLY 223 H -0.02 0.10 0.18 -0.55 8.43 8.13 3issJ1 GLY 223 HA2 -0.01 0.22 0.77 -0.51 4.01 4.48 3issJ1 GLY 223 HA3 0.01 0.16 0.21 -0.51 4.01 3.88 3issJ1 GLY 224 H 0.04 0.39 0.38 -0.55 8.43 8.69 3issJ1 GLY 224 HA2 0.03 -0.01 0.32 -0.51 4.01 3.84 3issJ1 GLY 224 HA3 0.01 0.24 0.77 -0.51 4.01 4.52 3issJ1 VAL 225 H 0.07 0.25 0.21 -0.55 8.24 8.22 3issJ1 VAL 225 HA 0.11 0.28 1.13 -0.75 4.13 4.90 3issJ1 VAL 225 HB 0.05 -0.02 0.11 -0.04 2.12 2.22 3issJ1 VAL 225 HG13 0.03 -0.01 -0.12 -0.04 0.97 0.83 3issJ1 VAL 225 HG23 0.05 -0.01 -0.13 -0.04 0.95 0.82 3issJ1 TYR 226 H 0.17 0.59 0.36 -0.55 8.29 8.86 3issJ1 TYR 226 HA 0.06 0.13 0.83 -0.75 4.56 4.82 3issJ1 TYR 226 HB2 0.27 0.10 -0.26 -0.04 3.06 3.12 3issJ1 TYR 226 HB3 0.22 -0.05 -0.02 -0.04 2.98 3.09 3issJ1 TYR 226 HD2 0.04 0.00 -0.23 -0.04 7.15 6.92 3issJ1 TYR 226 HE2 0.03 -0.07 -0.17 -0.04 6.85 6.59 3issJ1 ARG 227 H -0.58 0.21 0.13 -0.55 8.46 7.66 3issJ1 ARG 227 HA -0.07 0.12 0.97 -0.75 4.34 4.60 3issJ1 ARG 227 HB2 -0.12 -0.02 -0.01 -0.04 1.90 1.70 3issJ1 ARG 227 HB3 -0.22 -0.01 0.08 -0.04 1.80 1.61 3issJ1 ARG 227 HG2 -0.08 0.21 -0.28 -0.04 1.67 1.48 3issJ1 ARG 227 HG3 -0.06 -0.07 -0.15 -0.04 1.67 1.36 3issJ1 ARG 227 HD2 -0.06 -0.03 -0.05 -0.04 3.22 3.04 3issJ1 ARG 227 HD3 -0.08 -0.02 -0.07 -0.04 3.22 3.01 3issJ1 VAL 228 H -0.02 0.56 0.20 -0.55 8.24 8.43 3issJ1 VAL 228 HA 0.11 -0.01 0.45 -0.75 4.13 3.93 3issJ1 VAL 228 HB -0.00 0.20 0.10 -0.04 2.12 2.37 3issJ1 VAL 228 HG13 0.01 0.01 -0.05 -0.04 0.97 0.89 3issJ1 VAL 228 HG23 0.00 0.00 -0.10 -0.04 0.95 0.82 3issJ1 LEU 229 H 0.05 -0.00 0.16 -0.55 8.37 8.03 3issJ1 LEU 229 HA -0.01 0.19 0.40 -0.75 4.35 4.17 3issJ1 LEU 229 HB2 0.00 0.06 0.14 -0.04 1.64 1.80 3issJ1 LEU 229 HB3 0.03 0.00 0.15 -0.04 1.64 1.77 3issJ1 LEU 229 HG -0.00 0.28 -0.22 -0.04 1.64 1.66 3issJ1 LEU 229 HD13 -0.01 -0.03 -0.03 -0.04 0.93 0.83 3issJ1 LEU 229 HD23 0.01 -0.08 -0.01 -0.04 0.89 0.78 3issJ1 PRO 230 HA 0.01 0.23 0.41 -0.51 4.44 4.58 3issJ1 PRO 230 HB2 0.02 -0.22 -0.12 -0.04 2.28 1.91 3issJ1 PRO 230 HB3 0.02 0.37 0.13 -0.04 2.02 2.50 3issJ1 PRO 230 HG2 0.01 -0.04 -0.37 -0.04 2.03 1.58 3issJ1 PRO 230 HG3 0.01 0.19 -0.07 -0.04 2.03 2.11 3issJ1 PRO 230 HD2 -0.00 0.00 0.13 -0.04 3.68 3.77 3issJ1 PRO 230 HD3 -0.01 0.17 0.16 -0.04 3.65 3.94 3issJ1 ASP 231 H 0.03 0.60 0.11 -0.55 8.40 8.60 3issJ1 ASP 231 HA -0.00 -0.02 0.62 -0.75 4.63 4.47 3issJ1 ASP 231 HB2 0.01 0.28 -0.27 -0.04 2.71 2.69 3issJ1 ASP 231 HB3 0.04 0.01 0.16 -0.04 2.70 2.87 3issJ1 ARG 232 H -0.01 0.23 0.20 -0.55 8.46 8.32 3issJ1 ARG 232 HA 0.02 0.13 0.32 -0.75 4.34 4.05 3issJ1 ARG 232 HB2 -0.01 0.07 -0.04 -0.04 1.90 1.88 3issJ1 ARG 232 HB3 -0.01 0.11 0.06 -0.04 1.80 1.91 3issJ1 ARG 232 HG2 -0.03 -0.19 0.14 -0.04 1.67 1.55 3issJ1 ARG 232 HG3 -0.03 -0.01 -0.12 -0.04 1.67 1.47 3issJ1 ARG 232 HD2 -0.06 0.20 0.08 -0.04 3.22 3.39 3issJ1 ARG 232 HD3 -0.08 0.06 0.09 -0.04 3.22 3.26 3issJ1 ILE 233 H -0.01 0.03 -0.15 -0.55 8.25 7.56 3issJ1 ILE 233 HA 0.00 0.15 0.50 -0.75 4.18 4.08 3issJ1 ILE 233 HB -0.06 -0.01 0.03 -0.04 1.89 1.81 3issJ1 ILE 233 HG12 -0.03 -0.08 0.05 -0.04 1.49 1.38 3issJ1 ILE 233 HG13 -0.03 0.01 -0.00 -0.04 1.21 1.14 3issJ1 ILE 233 HG23 0.01 0.03 -0.12 -0.04 0.93 0.81 3issJ1 ILE 233 HD13 -0.04 0.01 -0.15 -0.04 0.88 0.66 3issJ1 GLU 234 H 0.03 0.05 -0.16 -0.55 8.60 7.97 3issJ1 GLU 234 HA 0.19 0.09 0.48 -0.75 4.29 4.30 3issJ1 GLU 234 HB2 0.09 -0.04 0.13 -0.04 2.09 2.23 3issJ1 GLU 234 HB3 0.15 0.10 0.08 -0.04 1.99 2.29 3issJ1 GLU 234 HG2 0.55 0.04 -0.10 -0.04 2.34 2.79 3issJ1 GLU 234 HG3 0.39 -0.01 0.05 -0.04 2.34 2.73 3issJ1 THR 235 H 0.10 0.45 -0.23 -0.55 8.28 8.05 3issJ1 THR 235 HA 0.20 0.07 0.31 -0.75 4.39 4.22 3issJ1 THR 235 HB 0.06 0.09 0.05 -0.04 4.32 4.48 3issJ1 THR 235 HG23 0.08 -0.01 -0.18 -0.04 1.22 1.07 3issJ1 GLY 236 H 0.06 0.53 -0.18 -0.55 8.43 8.29 3issJ1 GLY 236 HA2 0.08 0.05 0.34 -0.51 4.01 3.97 3issJ1 GLY 236 HA3 0.06 0.02 0.25 -0.51 4.01 3.84 3issJ1 THR 237 H 0.03 0.39 -0.38 -0.55 8.28 7.78 3issJ1 THR 237 HA -0.07 0.01 0.27 -0.75 4.39 3.85 3issJ1 THR 237 HB -0.32 0.10 0.08 -0.04 4.32 4.14 3issJ1 THR 237 HG23 -0.36 -0.02 -0.11 -0.04 1.22 0.69 3issJ1 PHE 238 H 0.06 0.44 -0.24 -0.55 8.34 8.05 3issJ1 PHE 238 HA -0.02 0.08 0.45 -0.75 4.62 4.38 3issJ1 PHE 238 HB2 0.02 0.06 0.02 -0.04 3.15 3.21 3issJ1 PHE 238 HB3 0.00 0.03 -0.14 -0.04 3.06 2.91 3issJ1 PHE 238 HD2 0.01 0.07 -0.13 -0.04 7.28 7.19 3issJ1 PHE 238 HE2 0.01 -0.03 -0.13 -0.04 7.38 7.19 3issJ1 PHE 238 HZ -0.00 -0.05 -0.06 -0.04 7.32 7.17 3issJ1 LEU 239 H 0.14 0.49 -0.14 -0.55 8.37 8.31 3issJ1 LEU 239 HA 0.07 0.05 0.36 -0.75 4.35 4.08 3issJ1 LEU 239 HB2 0.07 0.04 0.03 -0.04 1.64 1.73 3issJ1 LEU 239 HB3 0.06 0.01 -0.11 -0.04 1.64 1.55 3issJ1 LEU 239 HG 0.10 0.12 -0.05 -0.04 1.64 1.77 3issJ1 LEU 239 HD13 0.08 -0.04 -0.19 -0.04 0.93 0.74 3issJ1 LEU 239 HD23 0.08 -0.00 -0.18 -0.04 0.89 0.74 3issJ1 VAL 240 H -0.01 0.50 -0.37 -0.55 8.24 7.81 3issJ1 VAL 240 HA -0.14 0.06 0.37 -0.75 4.13 3.67 3issJ1 VAL 240 HB -0.10 0.07 0.06 -0.04 2.12 2.10 3issJ1 VAL 240 HG13 -0.18 -0.01 -0.24 -0.04 0.97 0.50 3issJ1 VAL 240 HG23 -0.35 -0.01 -0.11 -0.04 0.95 0.44 3issJ1 ALA 241 H -0.03 0.42 -0.19 -0.55 8.40 8.04 3issJ1 ALA 241 HA -0.04 0.02 0.38 -0.75 4.34 3.94 3issJ1 ALA 241 HB3 0.04 0.04 0.04 -0.04 1.41 1.48 3issJ1 ALA 242 H 0.03 0.44 -0.36 -0.55 8.40 7.96 3issJ1 ALA 242 HA 0.00 0.16 0.40 -0.75 4.34 4.14 3issJ1 ALA 242 HB3 0.01 0.01 -0.13 -0.04 1.41 1.26 3issJ1 ALA 243 H -0.03 0.40 -0.21 -0.55 8.40 8.02 3issJ1 ALA 243 HA -0.02 0.02 0.13 -0.75 4.34 3.72 3issJ1 ALA 243 HB3 -0.05 -0.01 0.01 -0.04 1.41 1.31 3issJ1 ILE 244 H -0.05 0.34 -0.44 -0.55 8.25 7.56 3issJ1 ILE 244 HA -0.04 0.20 0.67 -0.75 4.18 4.26 3issJ1 ILE 244 HB -0.04 0.03 -0.01 -0.04 1.89 1.83 3issJ1 ILE 244 HG12 -0.05 0.17 0.06 -0.04 1.49 1.63 3issJ1 ILE 244 HG13 -0.03 0.11 -0.20 -0.04 1.21 1.04 3issJ1 ILE 244 HG23 -0.08 -0.01 -0.12 -0.04 0.93 0.68 3issJ1 ILE 244 HD13 -0.05 -0.06 -0.19 -0.04 0.88 0.54 3issJ1 SER 245 H -0.02 0.28 -0.18 -0.55 8.46 8.00 3issJ1 SER 245 HA -0.01 0.21 0.76 -0.75 4.49 4.69 3issJ1 SER 245 HB2 -0.01 -0.04 0.36 -0.04 3.95 4.21 3issJ1 SER 245 HB3 -0.02 0.03 0.14 -0.04 3.93 4.04 3issJ1 ARG 246 H -0.01 0.20 -0.51 -0.55 8.46 7.58 3issJ1 ARG 246 HA -0.01 0.13 0.23 -0.75 4.34 3.94 3issJ1 ARG 246 HB2 -0.00 0.13 -0.01 -0.04 1.90 1.98 3issJ1 ARG 246 HB3 0.00 -0.15 -0.02 -0.04 1.80 1.59 3issJ1 ARG 246 HG2 -0.00 0.26 -0.26 -0.04 1.67 1.63 3issJ1 ARG 246 HG3 -0.01 0.01 -0.39 -0.04 1.67 1.25 3issJ1 ARG 246 HD2 0.00 -0.06 -0.11 -0.04 3.22 3.00 3issJ1 ARG 246 HD3 0.01 0.07 -0.23 -0.04 3.22 3.03 3issJ1 GLY 247 H -0.02 0.45 -0.18 -0.55 8.43 8.14 3issJ1 GLY 247 HA2 -0.02 0.13 0.66 -0.51 4.01 4.27 3issJ1 GLY 247 HA3 -0.01 0.29 0.31 -0.51 4.01 4.09 3issJ1 LYS 248 H -0.02 0.36 0.34 -0.55 8.42 8.54 3issJ1 LYS 248 HA -0.04 0.24 0.85 -0.75 4.32 4.62 3issJ1 LYS 248 HB2 -0.09 -0.03 0.28 -0.04 1.87 1.99 3issJ1 LYS 248 HB3 -0.06 -0.03 -0.14 -0.04 1.79 1.52 3issJ1 LYS 248 HG2 -0.03 -0.04 0.04 -0.04 1.46 1.39 3issJ1 LYS 248 HG3 -0.03 0.04 -0.40 -0.04 1.46 1.03 3issJ1 LYS 248 HD2 -0.05 -0.01 -0.02 -0.04 1.69 1.57 3issJ1 LYS 248 HD3 -0.04 0.01 -0.01 -0.04 1.68 1.60 3issJ1 LYS 248 HE2 -0.03 0.00 -0.02 -0.04 2.99 2.90 3issJ1 LYS 248 HE3 -0.04 -0.02 -0.07 -0.04 2.99 2.82 3issJ1 ILE 249 H -0.01 0.55 0.44 -0.55 8.25 8.68 3issJ1 ILE 249 HA -0.02 0.44 1.16 -0.75 4.18 5.01 3issJ1 ILE 249 HB 0.01 0.05 -0.43 -0.04 1.89 1.48 3issJ1 ILE 249 HG12 -0.01 -0.03 -0.20 -0.04 1.49 1.21 3issJ1 ILE 249 HG13 -0.03 0.10 -0.27 -0.04 1.21 0.97 3issJ1 ILE 249 HG23 0.05 -0.01 -0.21 -0.04 0.93 0.71 3issJ1 ILE 249 HD13 0.02 -0.03 -0.33 -0.04 0.88 0.50 3issJ1 ILE 250 H -0.02 0.50 0.48 -0.55 8.25 8.65 3issJ1 ILE 250 HA 0.08 0.29 1.21 -0.75 4.18 5.01 3issJ1 ILE 250 HB -0.05 -0.07 0.11 -0.04 1.89 1.85 3issJ1 ILE 250 HG12 -0.04 0.04 -0.11 -0.04 1.49 1.33 3issJ1 ILE 250 HG13 -0.10 -0.01 -0.04 -0.04 1.21 1.02 3issJ1 ILE 250 HG23 -0.04 -0.01 -0.11 -0.04 0.93 0.74 3issJ1 ILE 250 HD13 -0.09 0.01 -0.06 -0.04 0.88 0.71 3issJ1 CYS 251 H 0.14 0.74 0.38 -0.55 8.50 9.22 3issJ1 CYS 251 HA 0.02 0.27 1.06 -0.75 4.58 5.17 3issJ1 CYS 251 HB2 0.11 -0.11 0.15 -0.04 2.97 3.07 3issJ1 CYS 251 HB3 0.08 -0.00 -0.03 -0.04 2.97 2.97 3issJ1 ARG 252 H 0.02 0.77 0.47 -0.55 8.46 9.16 3issJ1 ARG 252 HA 0.13 0.15 0.95 -0.75 4.34 4.81 3issJ1 ARG 252 HB2 0.00 -0.01 0.10 -0.04 1.90 1.96 3issJ1 ARG 252 HB3 0.03 -0.00 0.11 -0.04 1.80 1.89 3issJ1 ARG 252 HG2 -0.01 0.03 -0.17 -0.04 1.67 1.48 3issJ1 ARG 252 HG3 -0.02 0.02 -0.06 -0.04 1.67 1.57 3issJ1 ARG 252 HD2 0.00 -0.00 0.01 -0.04 3.22 3.18 3issJ1 ARG 252 HD3 0.08 0.03 -0.08 -0.04 3.22 3.21 3issJ1 ASN 253 H 0.09 0.25 0.32 -0.55 8.53 8.64 3issJ1 ASN 253 HA 0.04 0.05 0.42 -0.75 4.76 4.52 3issJ1 ASN 253 HB2 0.02 0.07 -0.01 -0.04 2.88 2.92 3issJ1 ASN 253 HB3 0.02 0.05 0.32 -0.04 2.79 3.14 3issJ1 ASN 253 HD21 0.01 -0.02 0.00 -0.04 7.03 6.98 3issJ1 ASN 253 HD22 0.01 0.08 0.03 -0.04 7.74 7.82 3issJ1 ALA 254 H 0.07 0.44 -0.12 -0.55 8.40 8.25 3issJ1 ALA 254 HA 0.03 0.12 0.58 -0.75 4.34 4.32 3issJ1 ALA 254 HB3 0.05 -0.03 -0.32 -0.04 1.41 1.06 3issJ1 GLN 255 H 0.01 0.09 -0.11 -0.55 8.47 7.91 3issJ1 GLN 255 HA -0.02 0.34 0.68 -0.75 4.36 4.61 3issJ1 GLN 255 HB2 -0.01 0.12 -0.03 -0.04 2.15 2.19 3issJ1 GLN 255 HB3 -0.01 -0.08 0.14 -0.04 2.02 2.04 3issJ1 GLN 255 HG2 -0.01 -0.19 -0.09 -0.04 2.40 2.07 3issJ1 GLN 255 HG3 -0.02 0.14 0.06 -0.04 2.39 2.53 3issJ1 GLN 255 HE21 0.00 0.03 -0.00 -0.04 6.97 6.95 3issJ1 GLN 255 HE22 -0.00 -0.04 -0.05 -0.04 7.69 7.55 3issJ1 PRO 256 HA -0.03 0.01 0.21 -0.51 4.44 4.12 3issJ1 PRO 256 HB2 -0.10 0.08 -0.01 -0.04 2.28 2.21 3issJ1 PRO 256 HB3 -0.10 0.05 0.02 -0.04 2.02 1.94 3issJ1 PRO 256 HG2 -0.22 0.34 -0.03 -0.04 2.03 2.08 3issJ1 PRO 256 HG3 -0.15 0.04 -0.14 -0.04 2.03 1.74 3issJ1 PRO 256 HD2 -0.08 0.28 -0.01 -0.04 3.68 3.82 3issJ1 PRO 256 HD3 -0.06 0.09 -0.50 -0.04 3.65 3.13 3issJ1 ASP 257 H -0.03 0.21 -0.22 -0.55 8.40 7.81 3issJ1 ASP 257 HA -0.01 0.09 0.31 -0.75 4.63 4.26 3issJ1 ASP 257 HB2 0.00 0.03 0.15 -0.04 2.71 2.85 3issJ1 ASP 257 HB3 -0.02 0.04 0.09 -0.04 2.70 2.77 3issJ1 THR 258 H 0.00 0.28 -0.88 -0.55 8.28 7.13 3issJ1 THR 258 HA 0.06 0.10 0.55 -0.75 4.39 4.35 3issJ1 THR 258 HB -0.00 0.62 0.19 -0.04 4.32 5.09 3issJ1 THR 258 HG23 -0.01 -0.05 -0.08 -0.04 1.22 1.04 3issJ1 LEU 259 H 0.02 0.67 -0.08 -0.55 8.37 8.43 3issJ1 LEU 259 HA 0.02 0.16 0.88 -0.75 4.35 4.66 3issJ1 LEU 259 HB2 0.01 0.13 0.05 -0.04 1.64 1.79 3issJ1 LEU 259 HB3 0.02 -0.07 0.15 -0.04 1.64 1.69 3issJ1 LEU 259 HG 0.01 -0.07 -0.33 -0.04 1.64 1.21 3issJ1 LEU 259 HD13 0.03 0.00 -0.12 -0.04 0.93 0.80 3issJ1 LEU 259 HD23 -0.00 0.04 -0.03 -0.04 0.89 0.85 3issJ1 ASP 260 H 0.02 0.26 -0.17 -0.55 8.40 7.96 3issJ1 ASP 260 HA -0.00 0.09 0.28 -0.75 4.63 4.24 3issJ1 ASP 260 HB2 -0.03 0.01 0.15 -0.04 2.71 2.81 3issJ1 ASP 260 HB3 -0.02 0.05 0.03 -0.04 2.70 2.72 3issJ1 ALA 261 H -0.03 0.23 -0.06 -0.55 8.40 8.00 3issJ1 ALA 261 HA 0.01 0.09 0.30 -0.75 4.34 3.99 3issJ1 ALA 261 HB3 0.01 0.04 -0.03 -0.04 1.41 1.39 3issJ1 VAL 262 H -0.04 0.08 -0.35 -0.55 8.24 7.39 3issJ1 VAL 262 HA 0.01 0.06 0.38 -0.75 4.13 3.82 3issJ1 VAL 262 HB -0.01 0.06 0.07 -0.04 2.12 2.21 3issJ1 VAL 262 HG13 0.20 0.01 -0.16 -0.04 0.97 0.98 3issJ1 VAL 262 HG23 -0.35 -0.02 -0.01 -0.04 0.95 0.53 3issJ1 LEU 263 H 0.04 0.59 -0.07 -0.55 8.37 8.38 3issJ1 LEU 263 HA 0.09 0.03 0.33 -0.75 4.35 4.05 3issJ1 LEU 263 HB2 0.02 0.11 0.12 -0.04 1.64 1.85 3issJ1 LEU 263 HB3 0.03 -0.00 -0.01 -0.04 1.64 1.61 3issJ1 LEU 263 HG 0.03 0.17 0.04 -0.04 1.64 1.84 3issJ1 LEU 263 HD13 -0.01 -0.02 -0.09 -0.04 0.93 0.77 3issJ1 LEU 263 HD23 0.05 -0.02 -0.10 -0.04 0.89 0.78 3issJ1 ALA 264 H 0.04 0.58 -0.07 -0.55 8.40 8.40 3issJ1 ALA 264 HA 0.03 0.05 0.46 -0.75 4.34 4.13 3issJ1 ALA 264 HB3 0.02 0.02 0.07 -0.04 1.41 1.47 3issJ1 LYS 265 H 0.07 0.40 -0.25 -0.55 8.42 8.09 3issJ1 LYS 265 HA 0.04 0.05 0.44 -0.75 4.32 4.10 3issJ1 LYS 265 HB2 0.03 0.13 0.18 -0.04 1.87 2.18 3issJ1 LYS 265 HB3 0.09 0.01 -0.04 -0.04 1.79 1.81 3issJ1 LYS 265 HG2 -0.38 -0.10 -0.05 -0.04 1.46 0.89 3issJ1 LYS 265 HG3 -0.07 0.03 -0.01 -0.04 1.46 1.37 3issJ1 LYS 265 HD2 -0.03 -0.03 -0.03 -0.04 1.69 1.56 3issJ1 LYS 265 HD3 -0.09 -0.09 0.04 -0.04 1.68 1.49 3issJ1 LYS 265 HE2 -0.19 0.18 0.07 -0.04 2.99 3.00 3issJ1 LYS 265 HE3 -0.08 -0.02 0.07 -0.04 2.99 2.92 3issJ1 LEU 266 H 0.21 0.46 -0.15 -0.55 8.37 8.35 3issJ1 LEU 266 HA 0.19 0.06 0.40 -0.75 4.35 4.25 3issJ1 LEU 266 HB2 0.14 0.09 0.12 -0.04 1.64 1.95 3issJ1 LEU 266 HB3 0.09 -0.02 -0.07 -0.04 1.64 1.60 3issJ1 LEU 266 HG 0.48 0.05 -0.01 -0.04 1.64 2.11 3issJ1 LEU 266 HD13 0.13 -0.04 -0.17 -0.04 0.93 0.81 3issJ1 LEU 266 HD23 -0.06 0.00 -0.12 -0.04 0.89 0.67 3issJ1 ARG 267 H 0.08 0.46 -0.18 -0.55 8.46 8.26 3issJ1 ARG 267 HA 0.05 0.17 0.55 -0.75 4.34 4.36 3issJ1 ARG 267 HB2 0.04 0.10 0.20 -0.04 1.90 2.20 3issJ1 ARG 267 HB3 0.04 -0.02 0.06 -0.04 1.80 1.84 3issJ1 ARG 267 HG2 0.04 0.05 0.08 -0.04 1.67 1.80 3issJ1 ARG 267 HG3 0.05 0.16 0.08 -0.04 1.67 1.92 3issJ1 ARG 267 HD2 0.03 -0.06 0.00 -0.04 3.22 3.15 3issJ1 ARG 267 HD3 0.03 0.00 0.04 -0.04 3.22 3.24 3issJ1 ASP 268 H 0.05 0.44 -0.09 -0.55 8.40 8.25 3issJ1 ASP 268 HA 0.02 -0.00 0.44 -0.75 4.63 4.34 3issJ1 ASP 268 HB2 0.03 0.14 0.14 -0.04 2.71 2.99 3issJ1 ASP 268 HB3 0.01 -0.03 0.09 -0.04 2.70 2.73 3issJ1 ALA 269 H 0.08 0.24 -0.49 -0.55 8.40 7.68 3issJ1 ALA 269 HA 0.04 0.29 0.64 -0.75 4.34 4.55 3issJ1 ALA 269 HB3 0.06 -0.02 0.09 -0.04 1.41 1.50 3issJ1 GLY 270 H 0.04 0.46 -0.34 -0.55 8.43 8.04 3issJ1 GLY 270 HA2 0.03 0.00 0.27 -0.51 4.01 3.81 3issJ1 GLY 270 HA3 0.03 0.11 0.69 -0.51 4.01 4.33 3issJ1 ALA 271 H 0.04 0.36 0.16 -0.55 8.40 8.41 3issJ1 ALA 271 HA 0.03 0.19 0.55 -0.75 4.34 4.35 3issJ1 ALA 271 HB3 0.03 -0.05 -0.15 -0.04 1.41 1.21 3issJ1 ASP 272 H 0.02 0.60 0.32 -0.55 8.40 8.79 3issJ1 ASP 272 HA 0.07 0.11 0.84 -0.75 4.63 4.90 3issJ1 ASP 272 HB2 0.16 0.08 0.05 -0.04 2.71 2.96 3issJ1 ASP 272 HB3 0.04 0.04 0.27 -0.04 2.70 3.02 3issJ1 ILE 273 H 0.05 0.24 0.14 -0.55 8.25 8.13 3issJ1 ILE 273 HA 0.07 0.38 1.13 -0.75 4.18 5.00 3issJ1 ILE 273 HB 0.04 -0.01 0.05 -0.04 1.89 1.93 3issJ1 ILE 273 HG12 0.05 0.06 -0.11 -0.04 1.49 1.46 3issJ1 ILE 273 HG13 0.05 -0.05 -0.51 -0.04 1.21 0.65 3issJ1 ILE 273 HG23 0.03 -0.01 -0.16 -0.04 0.93 0.75 3issJ1 ILE 273 HD13 0.06 -0.01 -0.09 -0.04 0.88 0.80 3issJ1 GLU 274 H 0.13 0.43 0.32 -0.55 8.60 8.93 3issJ1 GLU 274 HA 0.02 0.19 0.84 -0.75 4.29 4.58 3issJ1 GLU 274 HB2 0.34 -0.05 0.03 -0.04 2.09 2.36 3issJ1 GLU 274 HB3 0.20 0.02 0.03 -0.04 1.99 2.20 3issJ1 GLU 274 HG2 0.09 0.12 -0.03 -0.04 2.34 2.48 3issJ1 GLU 274 HG3 0.13 -0.01 -0.30 -0.04 2.34 2.11 3issJ1 VAL 275 H -0.21 0.25 0.19 -0.55 8.24 7.92 3issJ1 VAL 275 HA -0.72 0.17 1.15 -0.75 4.13 3.98 3issJ1 VAL 275 HB -0.35 0.09 0.15 -0.04 2.12 1.97 3issJ1 VAL 275 HG13 -0.12 -0.02 -0.16 -0.04 0.97 0.63 3issJ1 VAL 275 HG23 -0.20 -0.00 0.00 -0.04 0.95 0.70 3issJ1 GLY 276 H -1.94 0.46 0.20 -0.55 8.43 6.61 3issJ1 GLY 276 HA2 -0.62 0.25 0.85 -0.51 4.01 3.99 3issJ1 GLY 276 HA3 -1.85 -0.07 0.42 -0.51 4.01 2.01 3issJ1 GLU 277 H -0.11 0.15 0.18 -0.55 8.60 8.27 3issJ1 GLU 277 HA -0.13 0.20 0.72 -0.75 4.29 4.31 3issJ1 GLU 277 HB2 -0.01 0.00 0.13 -0.04 2.09 2.17 3issJ1 GLU 277 HB3 0.01 0.02 0.01 -0.04 1.99 1.99 3issJ1 GLU 277 HG2 -0.03 0.00 0.14 -0.04 2.34 2.41 3issJ1 GLU 277 HG3 -0.04 0.02 0.07 -0.04 2.34 2.35 3issJ1 ASP 278 H -0.05 -0.05 0.00 -0.55 8.40 7.75 3issJ1 ASP 278 HA -0.01 0.45 0.62 -0.75 4.63 4.94 3issJ1 ASP 278 HB2 0.05 -0.02 0.26 -0.04 2.71 2.96 3issJ1 ASP 278 HB3 0.03 0.11 -0.09 -0.04 2.70 2.72 3issJ1 TRP 279 H -0.34 0.13 -0.01 -0.55 7.97 7.21 3issJ1 TRP 279 HA 0.00 0.31 0.70 -0.75 4.62 4.88 3issJ1 TRP 279 HB2 -0.00 0.14 0.11 -0.04 3.23 3.43 3issJ1 TRP 279 HB3 -0.00 0.02 0.01 -0.04 3.23 3.22 3issJ1 TRP 279 HD1 -0.00 -0.03 -0.06 -0.04 7.22 7.09 3issJ1 TRP 279 HE1 0.00 0.05 0.04 -0.04 10.20 10.25 3issJ1 TRP 279 HE3 0.00 0.05 -0.51 -0.04 7.59 7.09 3issJ1 TRP 279 HZ2 0.00 0.05 -0.12 -0.04 7.44 7.34 3issJ1 TRP 279 HZ3 0.01 0.05 -0.21 -0.04 7.13 6.93 3issJ1 TRP 279 HH2 0.01 0.05 -0.22 -0.04 7.19 6.99 3issJ1 ILE 280 H 0.29 0.49 0.35 -0.55 8.25 8.83 3issJ1 ILE 280 HA -0.00 0.24 0.94 -0.75 4.18 4.61 3issJ1 ILE 280 HB 0.09 -0.07 0.05 -0.04 1.89 1.92 3issJ1 ILE 280 HG12 -0.08 0.11 -0.03 -0.04 1.49 1.45 3issJ1 ILE 280 HG13 -0.00 -0.16 -0.53 -0.04 1.21 0.48 3issJ1 ILE 280 HG23 0.05 0.03 -0.10 -0.04 0.93 0.87 3issJ1 ILE 280 HD13 0.01 -0.02 -0.15 -0.04 0.88 0.69 3issJ1 SER 281 H 0.27 0.78 0.42 -0.55 8.46 9.39 3issJ1 SER 281 HA 0.17 0.36 1.23 -0.75 4.49 5.49 3issJ1 SER 281 HB2 0.12 0.08 0.12 -0.04 3.95 4.22 3issJ1 SER 281 HB3 0.36 -0.09 -0.00 -0.04 3.93 4.15 3issJ1 LEU 282 H 0.06 0.57 0.40 -0.55 8.37 8.85 3issJ1 LEU 282 HA 0.04 0.33 0.93 -0.75 4.35 4.90 3issJ1 LEU 282 HB2 0.05 -0.05 -0.20 -0.04 1.64 1.39 3issJ1 LEU 282 HB3 0.03 -0.04 0.04 -0.04 1.64 1.63 3issJ1 LEU 282 HG 0.02 0.01 -0.11 -0.04 1.64 1.52 3issJ1 LEU 282 HD13 0.03 -0.01 -0.13 -0.04 0.93 0.79 3issJ1 LEU 282 HD23 -0.01 0.01 -0.41 -0.04 0.89 0.45 3issJ1 ASP 283 H -0.03 0.55 0.36 -0.55 8.40 8.73 3issJ1 ASP 283 HA -0.13 0.21 1.13 -0.75 4.63 5.09 3issJ1 ASP 283 HB2 -0.16 -0.01 -0.09 -0.04 2.71 2.41 3issJ1 ASP 283 HB3 -0.28 0.04 0.13 -0.04 2.70 2.55 3issJ1 MET 284 H -0.12 0.46 0.23 -0.55 8.47 8.49 3issJ1 MET 284 HA -0.01 0.23 0.92 -0.75 4.52 4.90 3issJ1 MET 284 HB2 -0.02 0.03 -0.06 -0.04 2.15 2.06 3issJ1 MET 284 HB3 0.00 0.17 0.12 -0.04 2.03 2.28 3issJ1 MET 284 HG2 -0.03 -0.12 -0.31 -0.04 2.63 2.14 3issJ1 MET 284 HG3 -0.02 0.10 -0.07 -0.04 2.56 2.54 3issJ1 MET 284 HE3 0.01 0.08 -0.14 -0.04 2.10 2.00 3issJ1 HIS 285 H -0.35 -0.02 -0.04 -0.55 8.41 7.46 3issJ1 HIS 285 HA 0.01 -0.01 0.32 -0.75 4.63 4.19 3issJ1 HIS 285 HB2 0.01 0.14 -0.12 -0.04 3.26 3.25 3issJ1 HIS 285 HB3 0.01 -0.00 0.17 -0.04 3.20 3.34 3issJ1 HIS 285 HD2 0.02 0.09 -0.15 -0.04 6.97 6.89 3issJ1 HIS 285 HE1 0.01 -0.03 -0.02 -0.04 7.75 7.67 3issJ1 GLY 286 H 0.01 0.06 -0.54 -0.55 8.43 7.42 3issJ1 GLY 286 HA2 0.02 0.12 0.30 -0.51 4.01 3.95 3issJ1 GLY 286 HA3 0.04 -0.02 0.17 -0.51 4.01 3.69 3issJ1 LYS 287 H 0.04 0.55 -0.23 -0.55 8.42 8.23 3issJ1 LYS 287 HA 0.02 0.02 0.69 -0.75 4.32 4.31 3issJ1 LYS 287 HB2 0.04 0.05 0.06 -0.04 1.87 1.98 3issJ1 LYS 287 HB3 0.03 0.07 0.03 -0.04 1.79 1.88 3issJ1 LYS 287 HG2 0.06 0.17 -0.03 -0.04 1.46 1.62 3issJ1 LYS 287 HG3 0.05 -0.06 0.02 -0.04 1.46 1.42 3issJ1 LYS 287 HD2 0.02 -0.01 0.06 -0.04 1.69 1.72 3issJ1 LYS 287 HD3 0.03 0.03 -0.06 -0.04 1.68 1.64 3issJ1 LYS 287 HE2 0.03 0.02 0.01 -0.04 2.99 3.01 3issJ1 LYS 287 HE3 0.03 -0.04 0.02 -0.04 2.99 2.95 3issJ1 ARG 288 H 0.01 0.04 0.20 -0.55 8.46 8.17 3issJ1 ARG 288 HA 0.00 0.19 0.76 -0.75 4.34 4.54 3issJ1 ARG 288 HB2 0.01 -0.01 0.14 -0.04 1.90 2.00 3issJ1 ARG 288 HB3 0.01 -0.13 0.18 -0.04 1.80 1.82 3issJ1 ARG 288 HG2 0.01 0.03 -0.10 -0.04 1.67 1.57 3issJ1 ARG 288 HG3 0.00 0.18 0.15 -0.04 1.67 1.97 3issJ1 ARG 288 HD2 0.01 0.02 0.05 -0.04 3.22 3.25 3issJ1 ARG 288 HD3 0.01 -0.17 -0.01 -0.04 3.22 3.02 3issJ1 PRO 289 HA 0.01 0.22 0.47 -0.51 4.44 4.63 3issJ1 PRO 289 HB2 -0.01 -0.04 -0.12 -0.04 2.28 2.07 3issJ1 PRO 289 HB3 -0.01 -0.03 0.04 -0.04 2.02 1.98 3issJ1 PRO 289 HG2 -0.01 0.01 -0.05 -0.04 2.03 1.94 3issJ1 PRO 289 HG3 -0.03 -0.03 -0.01 -0.04 2.03 1.92 3issJ1 PRO 289 HD2 -0.00 0.12 0.30 -0.04 3.68 4.06 3issJ1 PRO 289 HD3 -0.01 0.32 0.29 -0.04 3.65 4.22 3issJ1 LYS 290 H 0.02 0.75 0.37 -0.55 8.42 9.01 3issJ1 LYS 290 HA 0.02 0.04 0.90 -0.75 4.32 4.53 3issJ1 LYS 290 HB2 0.02 0.08 0.13 -0.04 1.87 2.06 3issJ1 LYS 290 HB3 0.01 -0.02 0.11 -0.04 1.79 1.85 3issJ1 LYS 290 HG2 0.02 0.09 -0.02 -0.04 1.46 1.50 3issJ1 LYS 290 HG3 0.02 -0.03 -0.02 -0.04 1.46 1.38 3issJ1 LYS 290 HD2 0.02 -0.07 0.04 -0.04 1.69 1.64 3issJ1 LYS 290 HD3 0.02 0.02 0.08 -0.04 1.68 1.75 3issJ1 LYS 290 HE2 0.02 -0.02 0.02 -0.04 2.99 2.97 3issJ1 LYS 290 HE3 0.02 -0.09 0.02 -0.04 2.99 2.89 3issJ1 ALA 291 H 0.01 0.55 0.15 -0.55 8.40 8.57 3issJ1 ALA 291 HA 0.01 -0.03 0.23 -0.75 4.34 3.79 3issJ1 ALA 291 HB3 0.00 0.00 -0.37 -0.04 1.41 1.01 3issJ1 VAL 292 H -0.00 0.10 0.12 -0.55 8.24 7.90 3issJ1 VAL 292 HA -0.06 0.24 0.86 -0.75 4.13 4.41 3issJ1 VAL 292 HB -0.05 -0.07 0.07 -0.04 2.12 2.02 3issJ1 VAL 292 HG13 0.04 0.12 -0.28 -0.04 0.97 0.80 3issJ1 VAL 292 HG23 0.10 -0.03 -0.15 -0.04 0.95 0.82 3issJ1 ASN 293 H -0.18 0.20 0.18 -0.55 8.53 8.19 3issJ1 ASN 293 HA -0.48 0.39 1.11 -0.75 4.76 5.03 3issJ1 ASN 293 HB2 -0.34 -0.01 0.15 -0.04 2.88 2.63 3issJ1 ASN 293 HB3 -0.89 -0.02 0.03 -0.04 2.79 1.87 3issJ1 ASN 293 HD21 -0.09 0.05 -0.01 -0.04 7.03 6.94 3issJ1 ASN 293 HD22 -0.21 -0.01 0.01 -0.04 7.74 7.48 3issJ1 VAL 294 H -0.36 0.61 0.38 -0.55 8.24 8.31 3issJ1 VAL 294 HA -0.34 0.18 1.00 -0.75 4.13 4.22 3issJ1 VAL 294 HB -0.38 -0.00 0.02 -0.04 2.12 1.71 3issJ1 VAL 294 HG13 -1.18 -0.04 -0.24 -0.04 0.97 -0.53 3issJ1 VAL 294 HG23 -0.55 0.01 -0.33 -0.04 0.95 0.04 3issJ1 ARG 295 H -0.19 0.21 0.12 -0.55 8.46 8.05 3issJ1 ARG 295 HA -0.01 0.28 0.96 -0.75 4.34 4.82 3issJ1 ARG 295 HB2 0.03 0.03 -0.03 -0.04 1.90 1.89 3issJ1 ARG 295 HB3 -0.02 -0.03 0.11 -0.04 1.80 1.82 3issJ1 ARG 295 HG2 0.02 0.10 -0.36 -0.04 1.67 1.39 3issJ1 ARG 295 HG3 0.04 -0.01 -0.05 -0.04 1.67 1.61 3issJ1 ARG 295 HD2 0.01 -0.03 -0.04 -0.04 3.22 3.12 3issJ1 ARG 295 HD3 0.02 0.00 -0.06 -0.04 3.22 3.14 3issJ1 THR 296 H 0.03 0.59 0.27 -0.55 8.28 8.63 3issJ1 THR 296 HA 0.17 0.24 0.40 -0.75 4.39 4.45 3issJ1 THR 296 HB 0.11 -0.10 0.00 -0.04 4.32 4.29 3issJ1 THR 296 HG23 0.15 0.07 -0.07 -0.04 1.22 1.33 3issJ1 ALA 297 H 0.07 0.70 0.27 -0.55 8.40 8.90 3issJ1 ALA 297 HA -0.01 -0.01 0.32 -0.75 4.34 3.88 3issJ1 ALA 297 HB3 0.01 0.05 0.01 -0.04 1.41 1.44 3issJ1 PRO 298 HA 0.02 -0.09 0.41 -0.51 4.44 4.26 3issJ1 PRO 298 HB2 0.01 0.18 0.00 -0.04 2.28 2.43 3issJ1 PRO 298 HB3 0.01 -0.11 0.10 -0.04 2.02 1.99 3issJ1 PRO 298 HG2 -0.01 0.10 0.09 -0.04 2.03 2.16 3issJ1 PRO 298 HG3 -0.03 0.01 0.08 -0.04 2.03 2.05 3issJ1 PRO 298 HD2 -0.01 0.18 0.17 -0.04 3.68 3.98 3issJ1 PRO 298 HD3 -0.02 0.12 0.17 -0.04 3.65 3.88 3issJ1 HIS 299 H 0.12 -0.07 0.16 -0.55 8.41 8.07 3issJ1 HIS 299 HA -0.02 0.19 0.41 -0.75 4.63 4.46 3issJ1 HIS 299 HB2 -0.01 -0.11 0.15 -0.04 3.26 3.26 3issJ1 HIS 299 HB3 -0.01 -0.12 -0.08 -0.04 3.20 2.95 3issJ1 HIS 299 HD2 -0.01 0.17 -0.22 -0.04 6.97 6.87 3issJ1 HIS 299 HE1 -0.02 0.14 0.11 -0.04 7.75 7.93 3issJ1 PRO 300 HA -1.58 -0.02 0.34 -0.51 4.44 2.67 3issJ1 PRO 300 HB2 -0.38 -0.03 0.18 -0.04 2.28 2.01 3issJ1 PRO 300 HB3 -0.69 0.06 0.11 -0.04 2.02 1.45 3issJ1 PRO 300 HG2 -0.16 0.02 -0.07 -0.04 2.03 1.78 3issJ1 PRO 300 HG3 -0.15 0.07 0.07 -0.04 2.03 1.98 3issJ1 PRO 300 HD2 -0.11 0.10 0.04 -0.04 3.68 3.67 3issJ1 PRO 300 HD3 -0.11 0.15 0.44 -0.04 3.65 4.09 3issJ1 ALA 301 H -0.10 0.40 0.06 -0.55 8.40 8.21 3issJ1 ALA 301 HA -0.03 0.06 0.51 -0.75 4.34 4.13 3issJ1 ALA 301 HB3 0.00 0.05 -0.05 -0.04 1.41 1.37 3issJ1 PHE 302 H 0.13 0.18 0.11 -0.55 8.34 8.21 3issJ1 PHE 302 HA -0.06 0.02 0.41 -0.75 4.62 4.23 3issJ1 PHE 302 HB2 -0.12 0.05 0.06 -0.04 3.15 3.09 3issJ1 PHE 302 HB3 -0.09 0.08 -0.03 -0.04 3.06 2.97 3issJ1 PHE 302 HD2 -0.19 -0.04 -0.38 -0.04 7.28 6.62 3issJ1 PHE 302 HE2 -0.79 -0.02 -0.23 -0.04 7.38 6.29 3issJ1 PHE 302 HZ -0.46 0.07 -0.21 -0.04 7.32 6.67 3issJ1 PRO 303 HA -0.00 0.16 0.45 -0.51 4.44 4.53 3issJ1 PRO 303 HB2 -0.11 -0.21 -0.06 -0.04 2.28 1.86 3issJ1 PRO 303 HB3 -0.05 0.05 0.08 -0.04 2.02 2.06 3issJ1 PRO 303 HG2 -0.31 0.01 0.01 -0.04 2.03 1.70 3issJ1 PRO 303 HG3 -0.15 0.14 0.07 -0.04 2.03 2.05 3issJ1 PRO 303 HD2 -1.53 0.08 0.09 -0.04 3.68 2.28 3issJ1 PRO 303 HD3 -0.54 0.17 0.20 -0.04 3.65 3.43 3issJ1 THR 304 H 0.03 0.21 0.16 -0.55 8.28 8.14 3issJ1 THR 304 HA 0.13 0.15 0.47 -0.75 4.39 4.39 3issJ1 THR 304 HB 0.03 0.00 0.14 -0.04 4.32 4.46 3issJ1 THR 304 HG23 0.08 0.02 0.02 -0.04 1.22 1.29 3issJ1 ASP 305 H 0.03 0.09 -0.25 -0.55 8.40 7.72 3issJ1 ASP 305 HA 0.03 0.05 0.33 -0.75 4.63 4.29 3issJ1 ASP 305 HB2 -0.01 0.00 0.01 -0.04 2.71 2.67 3issJ1 ASP 305 HB3 -0.00 0.04 0.05 -0.04 2.70 2.74 3issJ1 MET 306 H -0.01 0.48 -0.63 -0.55 8.47 7.76 3issJ1 MET 306 HA 0.07 0.19 0.84 -0.75 4.52 4.87 3issJ1 MET 306 HB2 -0.48 0.13 -0.01 -0.04 2.15 1.76 3issJ1 MET 306 HB3 0.08 0.04 0.03 -0.04 2.03 2.14 3issJ1 MET 306 HG2 -0.10 -0.15 -0.20 -0.04 2.63 2.14 3issJ1 MET 306 HG3 -0.15 0.04 -0.05 -0.04 2.56 2.36 3issJ1 MET 306 HE3 0.21 0.02 -0.18 -0.04 2.10 2.11 3issJ1 GLN 307 H 0.14 0.45 -0.14 -0.55 8.47 8.38 3issJ1 GLN 307 HA 0.36 0.11 0.20 -0.75 4.36 4.27 3issJ1 GLN 307 HB2 0.19 -0.05 0.11 -0.04 2.15 2.36 3issJ1 GLN 307 HB3 0.08 0.07 0.19 -0.04 2.02 2.33 3issJ1 GLN 307 HG2 0.18 0.02 -0.11 -0.04 2.40 2.44 3issJ1 GLN 307 HG3 0.11 -0.02 -0.10 -0.04 2.39 2.35 3issJ1 GLN 307 HE21 -0.16 0.47 0.12 -0.04 6.97 7.36 3issJ1 GLN 307 HE22 -0.08 -0.13 0.05 -0.04 7.69 7.48 3issJ1 ALA 308 H -0.06 0.09 -0.14 -0.55 8.40 7.75 3issJ1 ALA 308 HA -0.25 0.13 0.36 -0.75 4.34 3.83 3issJ1 ALA 308 HB3 -0.65 0.00 0.05 -0.04 1.41 0.77 3issJ1 GLN 309 H 0.04 0.07 -0.34 -0.55 8.47 7.69 3issJ1 GLN 309 HA -0.02 0.07 0.36 -0.75 4.36 4.02 3issJ1 GLN 309 HB2 0.13 0.12 0.01 -0.04 2.15 2.38 3issJ1 GLN 309 HB3 -0.04 0.09 -0.07 -0.04 2.02 1.97 3issJ1 GLN 309 HG2 -0.04 0.04 -0.06 -0.04 2.40 2.31 3issJ1 GLN 309 HG3 -0.05 -0.05 -0.08 -0.04 2.39 2.17 3issJ1 GLN 309 HE21 0.08 0.10 0.00 -0.04 6.97 7.11 3issJ1 GLN 309 HE22 0.05 -0.01 -0.03 -0.04 7.69 7.65 3issJ1 PHE 310 H 0.39 0.39 -0.23 -0.55 8.34 8.33 3issJ1 PHE 310 HA 0.06 0.12 0.46 -0.75 4.62 4.50 3issJ1 PHE 310 HB2 0.19 0.03 0.00 -0.04 3.15 3.33 3issJ1 PHE 310 HB3 0.00 0.03 -0.12 -0.04 3.06 2.94 3issJ1 PHE 310 HD2 0.15 0.06 -0.09 -0.04 7.28 7.36 3issJ1 PHE 310 HE2 0.10 0.00 -0.17 -0.04 7.38 7.27 3issJ1 PHE 310 HZ 0.14 0.08 -0.06 -0.04 7.32 7.43 3issJ1 THR 311 H 0.18 0.27 -0.37 -0.55 8.28 7.82 3issJ1 THR 311 HA 0.13 0.07 0.42 -0.75 4.39 4.26 3issJ1 THR 311 HB 0.24 0.11 0.07 -0.04 4.32 4.69 3issJ1 THR 311 HG23 0.18 -0.01 -0.18 -0.04 1.22 1.18 3issJ1 LEU 312 H 0.06 0.38 -0.24 -0.55 8.37 8.03 3issJ1 LEU 312 HA 0.04 0.04 0.33 -0.75 4.35 4.00 3issJ1 LEU 312 HB2 0.02 -0.10 0.01 -0.04 1.64 1.52 3issJ1 LEU 312 HB3 -0.02 0.14 0.10 -0.04 1.64 1.81 3issJ1 LEU 312 HG -0.03 0.11 -0.37 -0.04 1.64 1.31 3issJ1 LEU 312 HD13 -0.00 -0.00 -0.09 -0.04 0.93 0.79 3issJ1 LEU 312 HD23 -0.04 0.02 -0.16 -0.04 0.89 0.68 3issJ1 LEU 313 H -0.05 0.38 -0.20 -0.55 8.37 7.96 3issJ1 LEU 313 HA -0.06 0.10 0.27 -0.75 4.35 3.91 3issJ1 LEU 313 HB2 -0.26 -0.04 0.02 -0.04 1.64 1.33 3issJ1 LEU 313 HB3 -0.12 0.04 0.09 -0.04 1.64 1.62 3issJ1 LEU 313 HG -0.08 0.09 -0.15 -0.04 1.64 1.46 3issJ1 LEU 313 HD13 -0.30 -0.02 -0.11 -0.04 0.93 0.46 3issJ1 LEU 313 HD23 0.01 0.02 -0.35 -0.04 0.89 0.53 3issJ1 ASN 314 H 0.03 0.52 -0.25 -0.55 8.53 8.29 3issJ1 ASN 314 HA 0.02 0.01 0.21 -0.75 4.76 4.25 3issJ1 ASN 314 HB2 0.05 0.08 0.07 -0.04 2.88 3.04 3issJ1 ASN 314 HB3 0.02 -0.04 -0.09 -0.04 2.79 2.63 3issJ1 ASN 314 HD21 -0.04 0.35 -0.04 -0.04 7.03 7.26 3issJ1 ASN 314 HD22 0.01 -0.06 -0.20 -0.04 7.74 7.45 3issJ1 LEU 315 H 0.02 0.32 -0.65 -0.55 8.37 7.51 3issJ1 LEU 315 HA 0.02 -0.01 0.20 -0.75 4.35 3.81 3issJ1 LEU 315 HB2 0.02 0.11 0.08 -0.04 1.64 1.80 3issJ1 LEU 315 HB3 0.00 -0.09 0.01 -0.04 1.64 1.52 3issJ1 LEU 315 HG 0.04 0.16 -0.09 -0.04 1.64 1.71 3issJ1 LEU 315 HD13 0.06 -0.07 -0.25 -0.04 0.93 0.63 3issJ1 LEU 315 HD23 0.03 -0.05 -0.19 -0.04 0.89 0.64 3issJ1 VAL 316 H -0.00 0.45 -0.32 -0.55 8.24 7.82 3issJ1 VAL 316 HA -0.00 0.34 0.94 -0.75 4.13 4.66 3issJ1 VAL 316 HB -0.01 0.07 0.17 -0.04 2.12 2.31 3issJ1 VAL 316 HG13 -0.02 -0.05 -0.18 -0.04 0.97 0.68 3issJ1 VAL 316 HG23 -0.02 0.03 -0.04 -0.04 0.95 0.88 3issJ1 ALA 317 H 0.01 0.20 -0.31 -0.55 8.40 7.75 3issJ1 ALA 317 HA 0.01 0.26 0.67 -0.75 4.34 4.52 3issJ1 ALA 317 HB3 0.01 -0.03 -0.29 -0.04 1.41 1.06 3issJ1 GLU 318 H 0.02 0.61 0.28 -0.55 8.60 8.96 3issJ1 GLU 318 HA 0.03 0.10 0.70 -0.75 4.29 4.36 3issJ1 GLU 318 HB2 0.02 0.19 0.13 -0.04 2.09 2.38 3issJ1 GLU 318 HB3 0.02 -0.10 0.21 -0.04 1.99 2.07 3issJ1 GLU 318 HG2 0.02 -0.08 -0.01 -0.04 2.34 2.23 3issJ1 GLU 318 HG3 0.02 0.03 0.04 -0.04 2.34 2.39 3issJ1 GLY 319 H 0.04 0.26 0.21 -0.55 8.43 8.39 3issJ1 GLY 319 HA2 0.05 -0.02 0.33 -0.51 4.01 3.86 3issJ1 GLY 319 HA3 0.03 0.15 0.78 -0.51 4.01 4.46 3issJ1 THR 320 H 0.05 0.14 0.20 -0.55 8.28 8.12 3issJ1 THR 320 HA 0.00 0.38 1.16 -0.75 4.39 5.18 3issJ1 THR 320 HB 0.08 -0.08 0.14 -0.04 4.32 4.41 3issJ1 THR 320 HG23 -0.05 0.03 -0.15 -0.04 1.22 1.01 3issJ1 GLY 321 H -0.04 0.49 0.30 -0.55 8.43 8.63 3issJ1 GLY 321 HA2 -0.05 0.08 0.76 -0.51 4.01 4.29 3issJ1 GLY 321 HA3 -0.05 0.13 0.31 -0.51 4.01 3.89 3issJ1 PHE 322 H -0.32 0.11 0.22 -0.55 8.34 7.79 3issJ1 PHE 322 HA -0.05 0.38 1.28 -0.75 4.62 5.47 3issJ1 PHE 322 HB2 -0.05 0.01 0.03 -0.04 3.15 3.11 3issJ1 PHE 322 HB3 -0.05 -0.01 -0.02 -0.04 3.06 2.93 3issJ1 PHE 322 HD2 -0.03 0.01 -0.18 -0.04 7.28 7.04 3issJ1 PHE 322 HE2 -0.02 0.01 -0.06 -0.04 7.38 7.26 3issJ1 PHE 322 HZ -0.02 0.00 -0.05 -0.04 7.32 7.21 3issJ1 ILE 323 H 0.16 0.60 0.33 -0.55 8.25 8.80 3issJ1 ILE 323 HA -0.01 0.18 1.03 -0.75 4.18 4.63 3issJ1 ILE 323 HB 0.17 -0.05 0.14 -0.04 1.89 2.11 3issJ1 ILE 323 HG12 -0.06 0.10 -0.19 -0.04 1.49 1.30 3issJ1 ILE 323 HG13 0.05 0.07 -0.30 -0.04 1.21 0.99 3issJ1 ILE 323 HG23 0.08 -0.03 -0.19 -0.04 0.93 0.75 3issJ1 ILE 323 HD13 0.10 -0.00 -0.28 -0.04 0.88 0.66 3issJ1 THR 324 H 0.09 0.82 0.39 -0.55 8.28 9.04 3issJ1 THR 324 HA 0.19 0.30 1.20 -0.75 4.39 5.32 3issJ1 THR 324 HB 0.13 -0.04 0.19 -0.04 4.32 4.56 3issJ1 THR 324 HG23 0.08 0.00 -0.16 -0.04 1.22 1.11 3issJ1 GLU 325 H 0.23 0.74 0.34 -0.55 8.60 9.37 3issJ1 GLU 325 HA 0.08 -0.06 0.86 -0.75 4.29 4.42 3issJ1 GLU 325 HB2 0.06 0.01 -0.03 -0.04 2.09 2.09 3issJ1 GLU 325 HB3 0.19 0.20 0.17 -0.04 1.99 2.51 3issJ1 GLU 325 HG2 -0.13 0.35 -0.00 -0.04 2.34 2.51 3issJ1 GLU 325 HG3 0.02 -0.19 -0.51 -0.04 2.34 1.62 3issJ1 THR 326 H 0.03 0.15 0.14 -0.55 8.28 8.05 3issJ1 THR 326 HA 0.03 0.29 1.05 -0.75 4.39 5.00 3issJ1 THR 326 HB 0.00 -0.00 0.15 -0.04 4.32 4.43 3issJ1 THR 326 HG23 0.03 0.01 -0.13 -0.04 1.22 1.09 3issJ1 VAL 327 H -0.04 -0.09 -0.05 -0.55 8.24 7.51 3issJ1 VAL 327 HA -0.19 0.29 0.84 -0.75 4.13 4.32 3issJ1 VAL 327 HB -0.21 -0.12 0.09 -0.04 2.12 1.84 3issJ1 VAL 327 HG13 -0.69 0.01 -0.08 -0.04 0.97 0.16 3issJ1 VAL 327 HG23 -0.09 0.02 -0.18 -0.04 0.95 0.66 3issJ1 PHE 328 H -0.03 0.05 -0.05 -0.55 8.34 7.76 3issJ1 PHE 328 HA -0.02 0.25 0.85 -0.75 4.62 4.94 3issJ1 PHE 328 HB2 -0.07 -0.08 0.16 -0.04 3.15 3.12 3issJ1 PHE 328 HB3 -0.06 0.16 0.03 -0.04 3.06 3.16 3issJ1 PHE 328 HD2 -0.03 0.02 -0.04 -0.04 7.28 7.19 3issJ1 PHE 328 HE2 -0.02 0.01 -0.07 -0.04 7.38 7.26 3issJ1 PHE 328 HZ -0.03 -0.03 -0.06 -0.04 7.32 7.17 3issJ1 GLU 329 H 0.10 0.24 -0.04 -0.55 8.60 8.35 3issJ1 GLU 329 HA 0.09 0.13 0.10 -0.75 4.29 3.86 3issJ1 GLU 329 HB2 0.07 -0.03 0.07 -0.04 2.09 2.16 3issJ1 GLU 329 HB3 0.10 0.04 0.03 -0.04 1.99 2.12 3issJ1 GLU 329 HG2 0.07 0.23 0.04 -0.04 2.34 2.63 3issJ1 GLU 329 HG3 0.04 -0.05 -0.17 -0.04 2.34 2.11 3issJ1 ASN 330 H 0.07 0.08 -0.31 -0.55 8.53 7.83 3issJ1 ASN 330 HA 0.17 0.23 0.73 -0.75 4.76 5.14 3issJ1 ASN 330 HB2 0.03 0.08 -0.12 -0.04 2.88 2.84 3issJ1 ASN 330 HB3 0.06 0.02 0.10 -0.04 2.79 2.93 3issJ1 ASN 330 HD21 0.05 0.02 0.00 -0.04 7.03 7.06 3issJ1 ASN 330 HD22 0.05 -0.03 0.05 -0.04 7.74 7.78 3issJ1 ARG 331 H -0.23 0.42 -0.29 -0.55 8.46 7.80 3issJ1 ARG 331 HA -0.10 0.04 0.64 -0.75 4.34 4.17 3issJ1 ARG 331 HB2 -0.05 0.08 0.13 -0.04 1.90 2.02 3issJ1 ARG 331 HB3 -0.22 0.02 0.24 -0.04 1.80 1.79 3issJ1 ARG 331 HG2 -0.04 -0.08 0.00 -0.04 1.67 1.52 3issJ1 ARG 331 HG3 -0.12 -0.02 0.03 -0.04 1.67 1.52 3issJ1 ARG 331 HD2 0.09 0.00 0.01 -0.04 3.22 3.28 3issJ1 ARG 331 HD3 -0.00 0.04 0.04 -0.04 3.22 3.25 3issJ1 PHE 332 H 0.03 0.39 -0.04 -0.55 8.34 8.17 3issJ1 PHE 332 HA -0.26 0.16 0.88 -0.75 4.62 4.65 3issJ1 PHE 332 HB2 -0.05 0.09 -0.11 -0.04 3.15 3.03 3issJ1 PHE 332 HB3 -0.15 -0.01 0.07 -0.04 3.06 2.93 3issJ1 PHE 332 HD2 -0.02 -0.02 -0.10 -0.04 7.28 7.10 3issJ1 PHE 332 HE2 0.07 0.09 -0.04 -0.04 7.38 7.46 3issJ1 PHE 332 HZ 0.06 0.06 -0.12 -0.04 7.32 7.28 3issJ1 MET 333 H 0.03 0.11 0.06 -0.55 8.47 8.12 3issJ1 MET 333 HA -0.00 0.18 0.38 -0.75 4.52 4.32 3issJ1 MET 333 HB2 0.02 -0.12 0.05 -0.04 2.15 2.06 3issJ1 MET 333 HB3 0.00 0.07 0.02 -0.04 2.03 2.08 3issJ1 MET 333 HG2 0.01 0.07 0.05 -0.04 2.63 2.71 3issJ1 MET 333 HG3 0.00 0.02 0.09 -0.04 2.56 2.64 3issJ1 MET 333 HE3 -0.05 -0.01 -0.04 -0.04 2.10 1.96 3issJ1 HIS 334 H 0.12 0.01 -0.39 -0.55 8.41 7.60 3issJ1 HIS 334 HA 0.02 0.06 0.36 -0.75 4.63 4.32 3issJ1 HIS 334 HB2 0.04 0.10 -0.11 -0.04 3.26 3.24 3issJ1 HIS 334 HB3 0.02 -0.11 -0.08 -0.04 3.20 2.99 3issJ1 HIS 334 HD2 0.09 0.12 -0.19 -0.04 6.97 6.95 3issJ1 HIS 334 HE1 -0.05 0.40 0.09 -0.04 7.75 8.15 3issJ1 VAL 335 H -0.40 0.41 -0.39 -0.55 8.24 7.31 3issJ1 VAL 335 HA -0.01 0.03 0.16 -0.75 4.13 3.56 3issJ1 VAL 335 HB -0.10 0.16 0.08 -0.04 2.12 2.23 3issJ1 VAL 335 HG13 -0.04 0.01 -0.26 -0.04 0.97 0.63 3issJ1 VAL 335 HG23 -0.17 -0.03 -0.06 -0.04 0.95 0.65 3issJ1 PRO 336 HA 0.00 0.11 0.39 -0.51 4.44 4.43 3issJ1 PRO 336 HB2 0.00 0.03 -0.02 -0.04 2.28 2.25 3issJ1 PRO 336 HB3 0.00 0.04 0.07 -0.04 2.02 2.09 3issJ1 PRO 336 HG2 -0.00 -0.00 0.06 -0.04 2.03 2.04 3issJ1 PRO 336 HG3 -0.01 0.03 0.03 -0.04 2.03 2.04 3issJ1 PRO 336 HD2 -0.03 0.34 -0.15 -0.04 3.68 3.80 3issJ1 PRO 336 HD3 -0.05 0.16 0.11 -0.04 3.65 3.83 3issJ1 GLU 337 H 0.01 0.27 -0.35 -0.55 8.60 7.99 3issJ1 GLU 337 HA 0.02 0.06 0.46 -0.75 4.29 4.07 3issJ1 GLU 337 HB2 0.04 0.09 0.10 -0.04 2.09 2.29 3issJ1 GLU 337 HB3 0.03 -0.06 0.00 -0.04 1.99 1.92 3issJ1 GLU 337 HG2 0.02 0.18 0.08 -0.04 2.34 2.58 3issJ1 GLU 337 HG3 0.02 0.01 0.03 -0.04 2.34 2.36 3issJ1 LEU 338 H 0.04 0.60 -0.05 -0.55 8.37 8.42 3issJ1 LEU 338 HA 0.02 0.03 0.37 -0.75 4.35 4.02 3issJ1 LEU 338 HB2 0.05 0.10 0.02 -0.04 1.64 1.77 3issJ1 LEU 338 HB3 0.03 0.01 -0.07 -0.04 1.64 1.58 3issJ1 LEU 338 HG 0.08 0.05 -0.06 -0.04 1.64 1.67 3issJ1 LEU 338 HD13 0.12 -0.02 -0.21 -0.04 0.93 0.77 3issJ1 LEU 338 HD23 0.03 0.01 -0.13 -0.04 0.89 0.76 3issJ1 SER 339 H 0.02 0.38 -0.45 -0.55 8.46 7.86 3issJ1 SER 339 HA 0.01 0.13 0.53 -0.75 4.49 4.40 3issJ1 SER 339 HB2 0.01 0.17 0.20 -0.04 3.95 4.30 3issJ1 SER 339 HB3 0.03 -0.04 0.04 -0.04 3.93 3.92 3issJ1 ARG 340 H 0.01 0.38 -0.18 -0.55 8.46 8.12 3issJ1 ARG 340 HA 0.01 0.02 0.58 -0.75 4.34 4.20 3issJ1 ARG 340 HB2 0.01 0.14 0.08 -0.04 1.90 2.10 3issJ1 ARG 340 HB3 0.01 -0.06 0.09 -0.04 1.80 1.80 3issJ1 ARG 340 HG2 0.01 -0.05 0.08 -0.04 1.67 1.68 3issJ1 ARG 340 HG3 0.01 0.05 0.19 -0.04 1.67 1.88 3issJ1 ARG 340 HD2 0.01 -0.12 0.06 -0.04 3.22 3.13 3issJ1 ARG 340 HD3 0.01 0.13 0.12 -0.04 3.22 3.45 3issJ1 MET 341 H 0.00 0.27 -0.50 -0.55 8.47 7.69 3issJ1 MET 341 HA -0.00 0.31 0.66 -0.75 4.52 4.74 3issJ1 MET 341 HB2 -0.01 0.03 0.07 -0.04 2.15 2.21 3issJ1 MET 341 HB3 -0.01 -0.01 0.10 -0.04 2.03 2.07 3issJ1 MET 341 HG2 0.00 0.03 -0.14 -0.04 2.63 2.48 3issJ1 MET 341 HG3 0.01 0.02 -0.14 -0.04 2.56 2.40 3issJ1 MET 341 HE3 -0.00 0.01 -0.35 -0.04 2.10 1.72 3issJ1 GLY 342 H -0.01 0.34 -0.52 -0.55 8.43 7.69 3issJ1 GLY 342 HA2 -0.04 0.02 0.29 -0.51 4.01 3.77 3issJ1 GLY 342 HA3 -0.07 0.07 0.60 -0.51 4.01 4.10 3issJ1 ALA 343 H -0.05 0.30 -0.03 -0.55 8.40 8.08 3issJ1 ALA 343 HA -0.16 0.16 0.47 -0.75 4.34 4.05 3issJ1 ALA 343 HB3 -0.01 -0.04 -0.18 -0.04 1.41 1.13 3issJ1 HIS 344 H -0.01 0.29 0.17 -0.55 8.41 8.31 3issJ1 HIS 344 HA 0.05 0.15 0.97 -0.75 4.63 5.04 3issJ1 HIS 344 HB2 0.11 0.26 0.30 -0.04 3.26 3.90 3issJ1 HIS 344 HB3 0.10 -0.09 0.05 -0.04 3.20 3.22 3issJ1 HIS 344 HD2 0.02 0.03 -0.08 -0.04 6.97 6.90 3issJ1 HIS 344 HE1 0.01 -0.06 0.03 -0.04 7.75 7.68 3issJ1 ALA 345 H 0.12 0.28 0.11 -0.55 8.40 8.37 3issJ1 ALA 345 HA 0.08 0.35 0.96 -0.75 4.34 4.97 3issJ1 ALA 345 HB3 0.02 -0.02 -0.20 -0.04 1.41 1.17 3issJ1 GLU 346 H -0.00 0.58 0.33 -0.55 8.60 8.96 3issJ1 GLU 346 HA -0.02 0.18 0.69 -0.75 4.29 4.39 3issJ1 GLU 346 HB2 -0.02 -0.01 -0.02 -0.04 2.09 2.00 3issJ1 GLU 346 HB3 0.02 0.07 0.08 -0.04 1.99 2.12 3issJ1 GLU 346 HG2 0.04 -0.00 0.11 -0.04 2.34 2.45 3issJ1 GLU 346 HG3 0.04 -0.02 -0.06 -0.04 2.34 2.26 3issJ1 ILE 347 H -0.07 0.22 0.11 -0.55 8.25 7.96 3issJ1 ILE 347 HA -0.22 0.27 1.06 -0.75 4.18 4.53 3issJ1 ILE 347 HB -0.12 -0.02 0.13 -0.04 1.89 1.83 3issJ1 ILE 347 HG12 -0.42 0.02 -0.14 -0.04 1.49 0.91 3issJ1 ILE 347 HG13 -0.16 -0.04 -0.24 -0.04 1.21 0.73 3issJ1 ILE 347 HG23 -0.28 -0.02 -0.24 -0.04 0.93 0.35 3issJ1 ILE 347 HD13 -0.15 -0.00 -0.07 -0.04 0.88 0.62 3issJ1 GLU 348 H -0.14 0.67 0.19 -0.55 8.60 8.78 3issJ1 GLU 348 HA -0.06 0.12 0.89 -0.75 4.29 4.48 3issJ1 GLU 348 HB2 -0.09 0.03 0.14 -0.04 2.09 2.13 3issJ1 GLU 348 HB3 -0.07 -0.03 0.02 -0.04 1.99 1.87 3issJ1 GLU 348 HG2 -0.05 -0.01 -0.21 -0.04 2.34 2.03 3issJ1 GLU 348 HG3 -0.05 0.01 -0.04 -0.04 2.34 2.21 3issJ1 SER 349 H -0.04 0.19 0.05 -0.55 8.46 8.11 3issJ1 SER 349 HA -0.00 0.04 0.34 -0.75 4.49 4.11 3issJ1 SER 349 HB2 -0.03 -0.00 -0.24 -0.04 3.95 3.64 3issJ1 SER 349 HB3 -0.01 -0.19 0.32 -0.04 3.93 4.01 3issJ1 ASN 350 H 0.02 0.13 0.24 -0.55 8.53 8.37 3issJ1 ASN 350 HA 0.21 0.29 0.94 -0.75 4.76 5.44 3issJ1 ASN 350 HB2 0.20 0.03 0.36 -0.04 2.88 3.43 3issJ1 ASN 350 HB3 0.13 -0.04 0.08 -0.04 2.79 2.92 3issJ1 ASN 350 HD21 0.05 -0.04 0.02 -0.04 7.03 7.02 3issJ1 ASN 350 HD22 0.09 0.31 0.16 -0.04 7.74 8.26 3issJ1 THR 351 H -0.08 0.55 -0.19 -0.55 8.28 8.00 3issJ1 THR 351 HA 0.06 0.28 1.11 -0.75 4.39 5.09 3issJ1 THR 351 HB -0.10 0.04 0.12 -0.04 4.32 4.34 3issJ1 THR 351 HG23 -0.03 -0.01 -0.29 -0.04 1.22 0.85 3issJ1 VAL 352 H -0.04 0.56 0.31 -0.55 8.24 8.52 3issJ1 VAL 352 HA -0.23 0.25 1.21 -0.75 4.13 4.61 3issJ1 VAL 352 HB -0.45 -0.06 0.00 -0.04 2.12 1.57 3issJ1 VAL 352 HG13 0.13 0.01 0.10 -0.04 0.97 1.17 3issJ1 VAL 352 HG23 -0.06 0.01 -0.27 -0.04 0.95 0.59 3issJ1 ILE 353 H -0.08 0.85 0.37 -0.55 8.25 8.84 3issJ1 ILE 353 HA -0.00 0.14 0.96 -0.75 4.18 4.53 3issJ1 ILE 353 HB -0.04 -0.07 0.15 -0.04 1.89 1.89 3issJ1 ILE 353 HG12 -0.05 -0.01 -0.17 -0.04 1.49 1.22 3issJ1 ILE 353 HG13 -0.07 0.01 -0.12 -0.04 1.21 0.99 3issJ1 ILE 353 HG23 -0.13 0.01 -0.16 -0.04 0.93 0.61 3issJ1 ILE 353 HD13 -0.06 -0.01 -0.07 -0.04 0.88 0.70 3issJ1 CYS 354 H -0.10 0.69 0.36 -0.55 8.50 8.90 3issJ1 CYS 354 HA -0.09 0.19 0.91 -0.75 4.58 4.83 3issJ1 CYS 354 HB2 -0.03 -0.03 0.07 -0.04 2.97 2.94 3issJ1 CYS 354 HB3 -0.00 0.08 -0.18 -0.04 2.97 2.82 3issJ1 HIS 355 H 0.06 0.70 0.30 -0.55 8.41 8.93 3issJ1 HIS 355 HA 0.05 0.14 0.95 -0.75 4.63 5.01 3issJ1 HIS 355 HB2 0.11 -0.00 0.19 -0.04 3.26 3.52 3issJ1 HIS 355 HB3 0.06 0.01 0.04 -0.04 3.20 3.26 3issJ1 HIS 355 HD2 0.04 0.03 -0.21 -0.04 6.97 6.78 3issJ1 HIS 355 HE1 0.01 -0.05 -0.12 -0.04 7.75 7.55 3issJ1 GLY 356 H 0.08 0.49 0.17 -0.55 8.43 8.62 3issJ1 GLY 356 HA2 0.04 0.02 0.27 -0.51 4.01 3.84 3issJ1 GLY 356 HA3 0.05 0.37 0.33 -0.51 4.01 4.25 3issJ1 VAL 357 H 0.01 0.58 0.39 -0.55 8.24 8.67 3issJ1 VAL 357 HA 0.05 0.11 1.00 -0.75 4.13 4.53 3issJ1 VAL 357 HB -0.02 -0.16 0.19 -0.04 2.12 2.08 3issJ1 VAL 357 HG13 -0.14 0.04 0.10 -0.04 0.97 0.92 3issJ1 VAL 357 HG23 -0.07 0.05 -0.19 -0.04 0.95 0.70 3issJ1 GLU 358 H 0.01 0.04 0.17 -0.55 8.60 8.28 3issJ1 GLU 358 HA 0.01 0.12 0.30 -0.75 4.29 3.96 3issJ1 GLU 358 HB2 0.02 -0.05 0.18 -0.04 2.09 2.20 3issJ1 GLU 358 HB3 0.01 -0.00 0.08 -0.04 1.99 2.04 3issJ1 GLU 358 HG2 0.01 0.02 0.05 -0.04 2.34 2.38 3issJ1 GLU 358 HG3 0.01 -0.07 0.04 -0.04 2.34 2.28 3issJ1 LYS 359 H -0.01 0.09 0.07 -0.55 8.42 8.02 3issJ1 LYS 359 HA -0.01 0.18 0.47 -0.75 4.32 4.20 3issJ1 LYS 359 HB2 -0.01 0.07 0.12 -0.04 1.87 2.01 3issJ1 LYS 359 HB3 -0.00 0.15 0.03 -0.04 1.79 1.92 3issJ1 LYS 359 HG2 -0.00 -0.15 -0.04 -0.04 1.46 1.23 3issJ1 LYS 359 HG3 -0.01 0.01 -0.07 -0.04 1.46 1.35 3issJ1 LYS 359 HD2 -0.00 0.02 -0.06 -0.04 1.69 1.61 3issJ1 LYS 359 HD3 0.00 -0.08 -0.02 -0.04 1.68 1.55 3issJ1 LYS 359 HE2 -0.00 -0.02 0.01 -0.04 2.99 2.93 3issJ1 LYS 359 HE3 -0.00 0.12 0.02 -0.04 2.99 3.09 3issJ1 LEU 360 H -0.02 0.18 0.09 -0.55 8.37 8.08 3issJ1 LEU 360 HA -0.04 0.24 0.82 -0.75 4.35 4.63 3issJ1 LEU 360 HB2 -0.02 -0.07 -0.06 -0.04 1.64 1.45 3issJ1 LEU 360 HB3 -0.02 0.13 0.08 -0.04 1.64 1.79 3issJ1 LEU 360 HG -0.02 0.01 -0.14 -0.04 1.64 1.45 3issJ1 LEU 360 HD13 -0.01 -0.02 -0.12 -0.04 0.93 0.74 3issJ1 LEU 360 HD23 -0.04 0.01 -0.25 -0.04 0.89 0.57 3issJ1 SER 361 H -0.02 0.77 0.30 -0.55 8.46 8.96 3issJ1 SER 361 HA -0.01 0.10 1.01 -0.75 4.49 4.84 3issJ1 SER 361 HB2 -0.00 0.03 0.00 -0.04 3.95 3.94 3issJ1 SER 361 HB3 -0.00 -0.01 0.11 -0.04 3.93 3.98 3issJ1 GLY 362 H -0.00 0.52 0.03 -0.55 8.43 8.43 3issJ1 GLY 362 HA2 0.00 -0.07 0.13 -0.51 4.01 3.57 3issJ1 GLY 362 HA3 0.00 0.00 -0.04 -0.51 4.01 3.46 3issJ1 ALA 363 H 0.01 0.13 0.25 -0.55 8.40 8.24 3issJ1 ALA 363 HA 0.01 0.07 0.51 -0.75 4.34 4.18 3issJ1 ALA 363 HB3 0.01 0.04 -0.08 -0.04 1.41 1.34 3issJ1 GLN 364 H 0.01 0.18 0.19 -0.55 8.47 8.30 3issJ1 GLN 364 HA 0.02 0.11 0.95 -0.75 4.36 4.69 3issJ1 GLN 364 HB2 0.01 -0.01 0.17 -0.04 2.15 2.28 3issJ1 GLN 364 HB3 0.02 0.01 0.10 -0.04 2.02 2.10 3issJ1 GLN 364 HG2 0.02 -0.01 0.03 -0.04 2.40 2.40 3issJ1 GLN 364 HG3 0.01 -0.00 0.11 -0.04 2.39 2.47 3issJ1 GLN 364 HE21 0.01 -0.00 0.00 -0.04 6.97 6.94 3issJ1 GLN 364 HE22 0.01 -0.01 0.01 -0.04 7.69 7.67 3issJ1 VAL 365 H 0.02 0.70 0.45 -0.55 8.24 8.86 3issJ1 VAL 365 HA 0.02 0.22 0.98 -0.75 4.13 4.60 3issJ1 VAL 365 HB 0.02 -0.11 -0.00 -0.04 2.12 1.99 3issJ1 VAL 365 HG13 0.02 0.04 -0.38 -0.04 0.97 0.60 3issJ1 VAL 365 HG23 0.02 -0.01 -0.15 -0.04 0.95 0.77 3issJ1 MET 366 H 0.01 0.21 0.13 -0.55 8.47 8.28 3issJ1 MET 366 HA 0.01 0.16 1.07 -0.75 4.52 5.01 3issJ1 MET 366 HB2 0.02 0.03 -0.08 -0.04 2.15 2.07 3issJ1 MET 366 HB3 0.01 -0.02 0.08 -0.04 2.03 2.06 3issJ1 MET 366 HG2 0.01 0.19 -0.25 -0.04 2.63 2.55 3issJ1 MET 366 HG3 0.03 -0.03 -0.05 -0.04 2.56 2.47 3issJ1 MET 366 HE3 0.02 0.00 -0.04 -0.04 2.10 2.04 3issJ1 ALA 367 H -0.00 0.55 0.16 -0.55 8.40 8.56 3issJ1 ALA 367 HA -0.03 -0.03 0.62 -0.75 4.34 4.14 3issJ1 ALA 367 HB3 -0.02 0.02 -0.07 -0.04 1.41 1.29 3issJ1 THR 368 H -0.16 -0.17 0.18 -0.55 8.28 7.58 3issJ1 THR 368 HA -0.75 0.27 0.74 -0.75 4.39 3.89 3issJ1 THR 368 HB -0.20 -0.02 0.04 -0.04 4.32 4.10 3issJ1 THR 368 HG23 -0.07 0.06 -0.26 -0.04 1.22 0.91 3issJ1 ASP 369 H -0.20 -0.03 0.11 -0.55 8.40 7.73 3issJ1 ASP 369 HA -0.18 0.27 0.97 -0.75 4.63 4.94 3issJ1 ASP 369 HB2 -0.09 0.16 -0.13 -0.04 2.71 2.60 3issJ1 ASP 369 HB3 -0.06 -0.14 0.12 -0.04 2.70 2.58 3issJ1 LEU 370 H -0.05 0.29 0.10 -0.55 8.37 8.16 3issJ1 LEU 370 HA 0.06 0.22 0.14 -0.75 4.35 4.02 3issJ1 LEU 370 HB2 0.00 0.05 0.12 -0.04 1.64 1.78 3issJ1 LEU 370 HB3 -0.02 -0.10 -0.04 -0.04 1.64 1.44 3issJ1 LEU 370 HG -0.02 -0.03 -0.22 -0.04 1.64 1.33 3issJ1 LEU 370 HD13 0.05 0.06 -0.06 -0.04 0.93 0.94 3issJ1 LEU 370 HD23 -0.01 0.02 -0.08 -0.04 0.89 0.78 3issJ1 ARG 371 H -0.01 -0.10 -0.28 -0.55 8.46 7.52 3issJ1 ARG 371 HA 0.21 0.33 1.08 -0.75 4.34 5.21 3issJ1 ARG 371 HB2 0.00 -0.08 0.05 -0.04 1.90 1.83 3issJ1 ARG 371 HB3 0.05 0.13 0.00 -0.04 1.80 1.94 3issJ1 ARG 371 HG2 -0.05 -0.06 -0.21 -0.04 1.67 1.31 3issJ1 ARG 371 HG3 -0.04 -0.05 -0.02 -0.04 1.67 1.51 3issJ1 ARG 371 HD2 -0.26 0.02 0.00 -0.04 3.22 2.94 3issJ1 ARG 371 HD3 -0.35 0.15 -0.04 -0.04 3.22 2.94 3issJ1 ALA 372 H -0.02 -0.05 -0.00 -0.55 8.40 7.79 3issJ1 ALA 372 HA -0.07 0.10 0.27 -0.75 4.34 3.89 3issJ1 ALA 372 HB3 -0.10 0.01 0.06 -0.04 1.41 1.34 3issJ1 SER 373 H -0.01 0.45 -0.14 -0.55 8.46 8.22 3issJ1 SER 373 HA -0.01 0.12 0.33 -0.75 4.49 4.18 3issJ1 SER 373 HB2 -0.01 0.18 -0.05 -0.04 3.95 4.03 3issJ1 SER 373 HB3 -0.01 0.09 0.06 -0.04 3.93 4.02 3issJ1 ALA 374 H -0.01 0.40 -0.53 -0.55 8.40 7.71 3issJ1 ALA 374 HA -0.15 0.02 0.40 -0.75 4.34 3.86 3issJ1 ALA 374 HB3 -0.38 0.04 0.02 -0.04 1.41 1.05 3issJ1 SER 375 H -0.06 0.41 -0.37 -0.55 8.46 7.89 3issJ1 SER 375 HA -0.08 0.11 0.29 -0.75 4.49 4.06 3issJ1 SER 375 HB2 -0.03 0.11 -0.11 -0.04 3.95 3.88 3issJ1 SER 375 HB3 -0.07 -0.11 -0.16 -0.04 3.93 3.55 3issJ1 LEU 376 H -0.02 0.30 -0.42 -0.55 8.37 7.68 3issJ1 LEU 376 HA 0.01 0.15 0.36 -0.75 4.35 4.11 3issJ1 LEU 376 HB2 0.02 0.07 -0.00 -0.04 1.64 1.69 3issJ1 LEU 376 HB3 0.02 0.04 -0.12 -0.04 1.64 1.53 3issJ1 LEU 376 HG 0.03 -0.13 -0.02 -0.04 1.64 1.48 3issJ1 LEU 376 HD13 0.02 -0.03 -0.21 -0.04 0.93 0.68 3issJ1 LEU 376 HD23 0.05 0.03 -0.15 -0.04 0.89 0.78 3issJ1 VAL 377 H -0.02 0.17 -0.23 -0.55 8.24 7.61 3issJ1 VAL 377 HA 0.00 0.07 0.39 -0.75 4.13 3.84 3issJ1 VAL 377 HB -0.11 0.11 0.06 -0.04 2.12 2.14 3issJ1 VAL 377 HG13 -0.18 0.00 -0.19 -0.04 0.97 0.57 3issJ1 VAL 377 HG23 0.11 -0.02 -0.03 -0.04 0.95 0.98 3issJ1 LEU 378 H -0.09 0.50 -0.13 -0.55 8.37 8.10 3issJ1 LEU 378 HA -0.07 0.04 0.35 -0.75 4.35 3.91 3issJ1 LEU 378 HB2 -0.09 -0.05 0.08 -0.04 1.64 1.54 3issJ1 LEU 378 HB3 -0.07 0.10 -0.14 -0.04 1.64 1.49 3issJ1 LEU 378 HG -0.09 0.06 -0.03 -0.04 1.64 1.54 3issJ1 LEU 378 HD13 -0.21 -0.01 -0.11 -0.04 0.93 0.56 3issJ1 LEU 378 HD23 -0.13 0.03 -0.11 -0.04 0.89 0.64 3issJ1 ALA 379 H -0.03 0.49 -0.35 -0.55 8.40 7.97 3issJ1 ALA 379 HA -0.02 0.07 0.25 -0.75 4.34 3.89 3issJ1 ALA 379 HB3 -0.00 0.02 0.00 -0.04 1.41 1.39 3issJ1 GLY 380 H -0.02 0.37 -0.38 -0.55 8.43 7.86 3issJ1 GLY 380 HA2 -0.00 -0.02 0.21 -0.51 4.01 3.68 3issJ1 GLY 380 HA3 -0.01 -0.04 0.20 -0.51 4.01 3.66 3issJ1 CYS 381 H -0.04 0.36 -0.32 -0.55 8.50 7.95 3issJ1 CYS 381 HA -0.03 0.01 0.23 -0.75 4.58 4.04 3issJ1 CYS 381 HB2 -0.04 0.18 0.08 -0.04 2.97 3.16 3issJ1 CYS 381 HB3 -0.03 0.02 -0.02 -0.04 2.97 2.91 3issJ1 ILE 382 H -0.02 0.31 -0.34 -0.55 8.25 7.65 3issJ1 ILE 382 HA -0.01 0.07 1.00 -0.75 4.18 4.47 3issJ1 ILE 382 HB -0.02 0.04 0.12 -0.04 1.89 2.00 3issJ1 ILE 382 HG12 -0.02 0.03 -0.00 -0.04 1.49 1.45 3issJ1 ILE 382 HG13 -0.02 -0.01 -0.29 -0.04 1.21 0.86 3issJ1 ILE 382 HG23 -0.02 0.01 -0.14 -0.04 0.93 0.75 3issJ1 ILE 382 HD13 -0.02 -0.01 -0.11 -0.04 0.88 0.69 3issJ1 ALA 383 H -0.01 0.31 -0.18 -0.55 8.40 7.97 3issJ1 ALA 383 HA -0.01 0.08 0.51 -0.75 4.34 4.16 3issJ1 ALA 383 HB3 -0.01 -0.05 -0.39 -0.04 1.41 0.93 3issJ1 GLU 384 H -0.01 0.83 0.28 -0.55 8.60 9.16 3issJ1 GLU 384 HA -0.00 0.15 0.54 -0.75 4.29 4.22 3issJ1 GLU 384 HB2 -0.00 0.06 0.15 -0.04 2.09 2.26 3issJ1 GLU 384 HB3 -0.00 -0.06 0.28 -0.04 1.99 2.16 3issJ1 GLU 384 HG2 -0.00 -0.05 0.04 -0.04 2.34 2.28 3issJ1 GLU 384 HG3 -0.00 -0.05 -0.10 -0.04 2.34 2.15 3issJ1 GLY 385 H -0.00 0.74 0.17 -0.55 8.43 8.78 3issJ1 GLY 385 HA2 0.00 0.02 0.37 -0.51 4.01 3.89 3issJ1 GLY 385 HA3 0.00 0.07 0.86 -0.51 4.01 4.43 3issJ1 THR 386 H 0.00 0.16 0.19 -0.55 8.28 8.08 3issJ1 THR 386 HA 0.01 0.48 1.22 -0.75 4.39 5.35 3issJ1 THR 386 HB 0.01 -0.04 0.10 -0.04 4.32 4.34 3issJ1 THR 386 HG23 0.02 -0.02 -0.23 -0.04 1.22 0.94 3issJ1 THR 387 H 0.01 0.70 0.36 -0.55 8.28 8.80 3issJ1 THR 387 HA 0.02 0.19 1.04 -0.75 4.39 4.89 3issJ1 THR 387 HB 0.01 -0.03 0.10 -0.04 4.32 4.37 3issJ1 THR 387 HG23 0.02 0.04 -0.14 -0.04 1.22 1.10 3issJ1 VAL 388 H 0.02 0.42 0.14 -0.55 8.24 8.28 3issJ1 VAL 388 HA 0.05 0.34 1.21 -0.75 4.13 4.98 3issJ1 VAL 388 HB 0.02 -0.05 0.16 -0.04 2.12 2.21 3issJ1 VAL 388 HG13 0.03 -0.02 -0.17 -0.04 0.97 0.76 3issJ1 VAL 388 HG23 0.03 0.01 -0.15 -0.04 0.95 0.79 3issJ1 VAL 389 H 0.09 0.66 0.26 -0.55 8.24 8.71 3issJ1 VAL 389 HA 0.04 0.25 0.96 -0.75 4.13 4.62 3issJ1 VAL 389 HB 0.16 -0.10 0.15 -0.04 2.12 2.30 3issJ1 VAL 389 HG13 0.04 -0.02 -0.22 -0.04 0.97 0.73 3issJ1 VAL 389 HG23 0.07 0.02 -0.26 -0.04 0.95 0.73 3issJ1 ASP 390 H 0.01 0.81 0.41 -0.55 8.40 9.08 3issJ1 ASP 390 HA -0.01 0.08 0.56 -0.75 4.63 4.50 3issJ1 ASP 390 HB2 0.01 0.08 0.09 -0.04 2.71 2.86 3issJ1 ASP 390 HB3 0.02 -0.06 0.12 -0.04 2.70 2.74 3issJ1 ARG 391 H -0.01 0.39 0.24 -0.55 8.46 8.54 3issJ1 ARG 391 HA 0.08 0.05 0.36 -0.75 4.34 4.08 3issJ1 ARG 391 HB2 0.05 0.00 -0.33 -0.04 1.90 1.58 3issJ1 ARG 391 HB3 0.00 0.19 0.01 -0.04 1.80 1.96 3issJ1 ARG 391 HG2 -0.21 -0.12 0.13 -0.04 1.67 1.43 3issJ1 ARG 391 HG3 0.36 -0.01 0.07 -0.04 1.67 2.05 3issJ1 ARG 391 HD2 0.10 0.06 -0.00 -0.04 3.22 3.33 3issJ1 ARG 391 HD3 0.23 -0.03 0.03 -0.04 3.22 3.42 3issJ1 ILE 392 H -0.13 0.38 -0.05 -0.55 8.25 7.90 3issJ1 ILE 392 HA -0.13 0.03 0.20 -0.75 4.18 3.53 3issJ1 ILE 392 HB -0.36 -0.09 0.03 -0.04 1.89 1.42 3issJ1 ILE 392 HG12 -0.28 0.16 -0.28 -0.04 1.49 1.05 3issJ1 ILE 392 HG13 -0.29 -0.04 -0.34 -0.04 1.21 0.51 3issJ1 ILE 392 HG23 -0.36 0.05 -0.14 -0.04 0.93 0.44 3issJ1 ILE 392 HD13 -1.20 -0.00 -0.30 -0.04 0.88 -0.66 3issJ1 TYR 393 H -0.07 0.18 -0.56 -0.55 8.29 7.29 3issJ1 TYR 393 HA -0.08 0.06 0.39 -0.75 4.56 4.18 3issJ1 TYR 393 HB2 -0.11 0.04 0.03 -0.04 3.06 2.97 3issJ1 TYR 393 HB3 -0.11 0.04 0.05 -0.04 2.98 2.92 3issJ1 TYR 393 HD2 -0.20 -0.04 -0.18 -0.04 7.15 6.69 3issJ1 TYR 393 HE2 -0.31 0.03 -0.02 -0.04 6.85 6.51 3issJ1 HIS 394 H -0.97 0.37 -0.25 -0.55 8.41 7.01 3issJ1 HIS 394 HA -0.11 0.10 0.46 -0.75 4.63 4.33 3issJ1 HIS 394 HB2 -0.25 0.01 -0.18 -0.04 3.26 2.81 3issJ1 HIS 394 HB3 -0.13 -0.17 -0.45 -0.04 3.20 2.40 3issJ1 HIS 394 HD2 -0.44 0.30 -0.16 -0.04 6.97 6.62 3issJ1 HIS 394 HE1 0.04 0.03 0.01 -0.04 7.75 7.80 3issJ1 ILE 395 H -0.00 0.20 -0.26 -0.55 8.25 7.63 3issJ1 ILE 395 HA 0.17 0.11 0.38 -0.75 4.18 4.08 3issJ1 ILE 395 HB 0.06 0.17 0.09 -0.04 1.89 2.17 3issJ1 ILE 395 HG12 0.06 -0.04 -0.22 -0.04 1.49 1.24 3issJ1 ILE 395 HG13 0.04 -0.10 -0.15 -0.04 1.21 0.95 3issJ1 ILE 395 HG23 0.16 -0.00 -0.10 -0.04 0.93 0.95 3issJ1 ILE 395 HD13 0.07 0.03 -0.16 -0.04 0.88 0.78 3issJ1 ASP 396 H 0.04 0.44 -0.22 -0.55 8.40 8.12 3issJ1 ASP 396 HA 0.11 0.07 0.46 -0.75 4.63 4.52 3issJ1 ASP 396 HB2 0.06 0.19 0.15 -0.04 2.71 3.06 3issJ1 ASP 396 HB3 0.06 -0.04 0.09 -0.04 2.70 2.78 3issJ1 ARG 397 H 0.07 0.44 -0.40 -0.55 8.46 8.02 3issJ1 ARG 397 HA 0.05 -0.17 0.73 -0.75 4.34 4.19 3issJ1 ARG 397 HB2 0.06 0.19 0.15 -0.04 1.90 2.27 3issJ1 ARG 397 HB3 0.04 -0.11 0.09 -0.04 1.80 1.78 3issJ1 ARG 397 HG2 0.06 -0.06 0.02 -0.04 1.67 1.64 3issJ1 ARG 397 HG3 0.08 0.21 0.10 -0.04 1.67 2.02 3issJ1 ARG 397 HD2 0.09 0.08 0.02 -0.04 3.22 3.38 3issJ1 ARG 397 HD3 0.11 -0.07 0.08 -0.04 3.22 3.30 3issJ1 GLY 398 H 0.10 0.49 -0.25 -0.55 8.43 8.22 3issJ1 GLY 398 HA2 -0.09 0.02 0.55 -0.51 4.01 3.98 3issJ1 GLY 398 HA3 -0.08 0.21 0.29 -0.51 4.01 3.92 3issJ1 TYR 399 H 0.21 0.54 0.21 -0.55 8.29 8.69 3issJ1 TYR 399 HA 0.04 0.12 0.94 -0.75 4.56 4.90 3issJ1 TYR 399 HB2 0.05 -0.03 0.03 -0.04 3.06 3.07 3issJ1 TYR 399 HB3 0.05 0.03 -0.08 -0.04 2.98 2.95 3issJ1 TYR 399 HD2 -0.01 0.05 0.01 -0.04 7.15 7.16 3issJ1 TYR 399 HE2 -0.07 0.01 0.01 -0.04 6.85 6.76 3issJ1 GLU 400 H 0.14 0.13 0.05 -0.55 8.60 8.38 3issJ1 GLU 400 HA 0.10 0.25 0.68 -0.75 4.29 4.57 3issJ1 GLU 400 HB2 0.06 -0.08 0.02 -0.04 2.09 2.05 3issJ1 GLU 400 HB3 0.09 0.00 0.18 -0.04 1.99 2.23 3issJ1 GLU 400 HG2 0.06 0.06 -0.17 -0.04 2.34 2.26 3issJ1 GLU 400 HG3 0.05 0.15 0.10 -0.04 2.34 2.60 3issJ1 ARG 401 H 0.12 0.28 0.21 -0.55 8.46 8.51 3issJ1 ARG 401 HA 0.12 -0.00 0.38 -0.75 4.34 4.08 3issJ1 ARG 401 HB2 0.07 0.15 -0.08 -0.04 1.90 1.99 3issJ1 ARG 401 HB3 0.06 -0.06 0.16 -0.04 1.80 1.92 3issJ1 ARG 401 HG2 0.07 0.02 0.08 -0.04 1.67 1.80 3issJ1 ARG 401 HG3 0.07 -0.01 -0.03 -0.04 1.67 1.65 3issJ1 ARG 401 HD2 0.04 0.01 0.02 -0.04 3.22 3.25 3issJ1 ARG 401 HD3 0.04 0.05 0.02 -0.04 3.22 3.28 3issJ1 ILE 402 H 0.15 0.15 -0.11 -0.55 8.25 7.89 3issJ1 ILE 402 HA 0.17 0.16 0.25 -0.75 4.18 4.01 3issJ1 ILE 402 HB 0.05 -0.02 -0.07 -0.04 1.89 1.82 3issJ1 ILE 402 HG12 -0.11 0.04 -0.09 -0.04 1.49 1.29 3issJ1 ILE 402 HG13 -0.03 0.03 -0.01 -0.04 1.21 1.15 3issJ1 ILE 402 HG23 0.01 0.00 -0.15 -0.04 0.93 0.76 3issJ1 ILE 402 HD13 -0.60 0.00 -0.07 -0.04 0.88 0.17 3issJ1 GLU 403 H 0.02 0.04 -0.25 -0.55 8.60 7.87 3issJ1 GLU 403 HA -0.21 0.14 0.38 -0.75 4.29 3.84 3issJ1 GLU 403 HB2 -0.24 0.12 -0.06 -0.04 2.09 1.86 3issJ1 GLU 403 HB3 -0.48 -0.04 -0.03 -0.04 1.99 1.40 3issJ1 GLU 403 HG2 0.02 0.03 -0.16 -0.04 2.34 2.19 3issJ1 GLU 403 HG3 0.04 0.08 -0.10 -0.04 2.34 2.32 3issJ1 ASP 404 H 0.02 0.11 -0.24 -0.55 8.40 7.74 3issJ1 ASP 404 HA -0.01 0.13 0.50 -0.75 4.63 4.50 3issJ1 ASP 404 HB2 0.02 0.12 0.15 -0.04 2.71 2.96 3issJ1 ASP 404 HB3 0.00 0.05 0.04 -0.04 2.70 2.75 3issJ1 LYS 405 H 0.04 0.28 -0.12 -0.55 8.42 8.07 3issJ1 LYS 405 HA -0.08 0.09 0.43 -0.75 4.32 4.01 3issJ1 LYS 405 HB2 0.16 0.02 0.06 -0.04 1.87 2.07 3issJ1 LYS 405 HB3 -0.36 -0.00 0.02 -0.04 1.79 1.40 3issJ1 LYS 405 HG2 -0.05 -0.02 0.05 -0.04 1.46 1.40 3issJ1 LYS 405 HG3 0.05 0.17 0.12 -0.04 1.46 1.76 3issJ1 LYS 405 HD2 0.22 -0.08 -0.01 -0.04 1.69 1.78 3issJ1 LYS 405 HD3 -0.18 -0.02 0.01 -0.04 1.68 1.45 3issJ1 LYS 405 HE2 0.01 -0.02 0.06 -0.04 2.99 3.00 3issJ1 LYS 405 HE3 0.09 0.20 0.07 -0.04 2.99 3.31 3issJ1 LEU 406 H 0.04 0.37 -0.26 -0.55 8.37 7.98 3issJ1 LEU 406 HA 0.08 0.08 0.35 -0.75 4.35 4.10 3issJ1 LEU 406 HB2 -0.06 0.00 0.09 -0.04 1.64 1.63 3issJ1 LEU 406 HB3 -0.03 0.01 -0.09 -0.04 1.64 1.49 3issJ1 LEU 406 HG 0.14 0.03 -0.01 -0.04 1.64 1.76 3issJ1 LEU 406 HD13 -0.14 -0.03 -0.18 -0.04 0.93 0.53 3issJ1 LEU 406 HD23 0.10 0.01 -0.10 -0.04 0.89 0.86 3issJ1 ARG 407 H -0.03 0.48 -0.19 -0.55 8.46 8.17 3issJ1 ARG 407 HA -0.03 0.18 0.56 -0.75 4.34 4.30 3issJ1 ARG 407 HB2 -0.04 0.08 0.22 -0.04 1.90 2.12 3issJ1 ARG 407 HB3 -0.02 0.01 0.18 -0.04 1.80 1.93 3issJ1 ARG 407 HG2 -0.02 -0.05 -0.02 -0.04 1.67 1.54 3issJ1 ARG 407 HG3 -0.02 0.20 0.17 -0.04 1.67 1.97 3issJ1 ARG 407 HD2 -0.01 -0.04 0.07 -0.04 3.22 3.20 3issJ1 ARG 407 HD3 -0.02 0.04 0.14 -0.04 3.22 3.33 3issJ1 ALA 408 H -0.03 0.49 -0.13 -0.55 8.40 8.18 3issJ1 ALA 408 HA -0.03 0.03 0.52 -0.75 4.34 4.11 3issJ1 ALA 408 HB3 -0.05 -0.00 0.18 -0.04 1.41 1.49 3issJ1 LEU 409 H -0.03 0.24 -0.87 -0.55 8.37 7.17 3issJ1 LEU 409 HA -0.04 0.31 0.95 -0.75 4.35 4.82 3issJ1 LEU 409 HB2 -0.00 0.09 0.07 -0.04 1.64 1.75 3issJ1 LEU 409 HB3 -0.01 -0.15 0.07 -0.04 1.64 1.51 3issJ1 LEU 409 HG -0.09 0.16 -0.21 -0.04 1.64 1.46 3issJ1 LEU 409 HD13 -0.03 -0.06 -0.21 -0.04 0.93 0.58 3issJ1 LEU 409 HD23 -0.07 -0.01 -0.37 -0.04 0.89 0.41 3issJ1 GLY 410 H -0.02 0.50 -0.01 -0.55 8.43 8.35 3issJ1 GLY 410 HA2 -0.02 -0.02 0.32 -0.51 4.01 3.78 3issJ1 GLY 410 HA3 -0.02 0.20 0.80 -0.51 4.01 4.49 3issJ1 ALA 411 H -0.02 0.30 0.14 -0.55 8.40 8.27 3issJ1 ALA 411 HA -0.03 0.14 0.37 -0.75 4.34 4.07 3issJ1 ALA 411 HB3 -0.04 -0.05 -0.26 -0.04 1.41 1.02 3issJ1 ASN 412 H -0.03 0.33 0.19 -0.55 8.53 8.48 3issJ1 ASN 412 HA -0.02 0.11 0.91 -0.75 4.76 5.01 3issJ1 ASN 412 HB2 -0.01 0.08 0.14 -0.04 2.88 3.04 3issJ1 ASN 412 HB3 -0.01 0.21 0.36 -0.04 2.79 3.31 3issJ1 ASN 412 HD21 -0.00 -0.06 -0.03 -0.04 7.03 6.90 3issJ1 ASN 412 HD22 -0.01 0.08 0.01 -0.04 7.74 7.78 3issJ1 ILE 413 H -0.04 0.32 0.07 -0.55 8.25 8.06 3issJ1 ILE 413 HA -0.04 0.35 1.10 -0.75 4.18 4.84 3issJ1 ILE 413 HB -0.13 0.03 -0.32 -0.04 1.89 1.43 3issJ1 ILE 413 HG12 -0.29 -0.05 -0.22 -0.04 1.49 0.88 3issJ1 ILE 413 HG13 -0.20 0.08 -0.07 -0.04 1.21 0.98 3issJ1 ILE 413 HG23 -0.12 -0.01 -0.07 -0.04 0.93 0.69 3issJ1 ILE 413 HD13 -0.73 -0.05 -0.14 -0.04 0.88 -0.07 3issJ1 GLU 414 H 0.03 0.64 0.36 -0.55 8.60 9.08 3issJ1 GLU 414 HA 0.05 0.13 0.88 -0.75 4.29 4.59 3issJ1 GLU 414 HB2 0.03 0.07 -0.20 -0.04 2.09 1.95 3issJ1 GLU 414 HB3 0.05 -0.05 0.03 -0.04 1.99 1.98 3issJ1 GLU 414 HG2 0.06 -0.01 -0.08 -0.04 2.34 2.26 3issJ1 GLU 414 HG3 0.03 0.04 0.04 -0.04 2.34 2.42 3issJ1 ARG 415 H 0.12 0.20 0.16 -0.55 8.46 8.39 3issJ1 ARG 415 HA 0.27 0.31 1.06 -0.75 4.34 5.23 3issJ1 ARG 415 HB2 0.39 -0.08 0.06 -0.04 1.90 2.22 3issJ1 ARG 415 HB3 0.14 0.00 0.21 -0.04 1.80 2.11 3issJ1 ARG 415 HG2 0.04 0.03 -0.24 -0.04 1.67 1.46 3issJ1 ARG 415 HG3 -0.02 0.02 -0.01 -0.04 1.67 1.62 3issJ1 ARG 415 HD2 0.15 -0.06 -0.00 -0.04 3.22 3.27 3issJ1 ARG 415 HD3 0.06 0.03 -0.02 -0.04 3.22 3.26 3issJ1 VAL 416 H 0.06 0.47 0.31 -0.55 8.24 8.53 3issJ1 VAL 416 HA 0.03 0.24 0.94 -0.75 4.13 4.59 3issJ1 VAL 416 HB 0.02 0.02 0.06 -0.04 2.12 2.18 3issJ1 VAL 416 HG13 0.05 0.04 -0.18 -0.04 0.97 0.84 3issJ1 VAL 416 HG23 0.02 -0.07 -0.16 -0.04 0.95 0.69 3issJ1 LYS 417 H 0.01 0.19 0.07 -0.55 8.42 8.13 3issJ1 LYS 417 HA -0.01 0.21 0.80 -0.75 4.32 4.56 3issJ1 LYS 417 HB2 0.00 0.02 0.13 -0.04 1.87 1.98 3issJ1 LYS 417 HB3 -0.00 0.05 0.11 -0.04 1.79 1.90 3issJ1 LYS 417 HG2 0.01 -0.03 -0.04 -0.04 1.46 1.35 3issJ1 LYS 417 HG3 0.01 0.04 -0.01 -0.04 1.46 1.45 3issJ1 LYS 417 HD2 -0.00 0.01 -0.08 -0.04 1.69 1.58 3issJ1 LYS 417 HD3 -0.00 0.02 -0.46 -0.04 1.68 1.21 3issJ1 LYS 417 HE2 0.01 -0.05 -0.09 -0.04 2.99 2.82 3issJ1 LYS 417 HE3 0.02 0.08 -0.09 -0.04 2.99 2.95 3issJ1 GLY 418 H 0.00 0.10 -0.34 -0.55 8.43 7.65 3issJ1 GLY 418 HA2 0.00 0.05 0.09 -0.51 4.01 3.65 3issJ1 GLY 418 HA3 0.01 0.03 0.12 -0.51 4.01 3.66