============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. HIS 7 0.900 51.503 195.818 19.827 -99.200 -91.000 PHE 14 1.000 52.911 191.143 33.911 -99.200 -91.000 HIS 17 0.900 55.231 192.519 28.347 -99.200 -91.000 PHE 64 1.000 82.109 164.622 42.335 -99.200 -91.000 HIS 66 0.900 73.531 159.007 43.636 -99.200 -91.000 HIS 69 0.900 86.785 161.489 44.407 -99.200 -91.000 TYR 71 0.840 80.089 157.579 36.266 -99.200 -91.000 HIS 72 0.900 81.010 161.754 39.606 -99.200 -91.000 PHE 86 1.000 81.255 170.666 18.623 -99.200 -91.000 TYR 93 0.840 86.038 176.315 22.360 -99.200 -91.000 TYR 136 0.840 67.037 148.346 69.539 -99.200 -91.000 TRP 146 1.040 70.595 153.654 64.704 -99.200 -91.000 TRP6 146 1.020 71.996 154.355 62.924 -99.200 -91.000 TYR 149 0.840 70.816 165.728 63.458 -99.200 -91.000 TYR 163 0.840 57.680 165.813 56.099 -99.200 -91.000 PHE 180 1.000 62.631 157.835 74.274 -99.200 -91.000 PHE 190 1.000 54.887 148.073 51.451 -99.200 -91.000 PHE 219 1.000 87.997 163.828 41.420 -99.200 -91.000 PHE 229 1.000 75.999 174.042 39.984 -99.200 -91.000 PHE 232 1.000 70.543 170.381 54.889 -99.200 -91.000 HIS 240 0.900 81.407 183.313 55.651 -99.200 -91.000 HIS 262 0.900 60.147 174.819 56.318 -99.200 -91.000 PHE 268 1.000 68.282 184.106 48.940 -99.200 -91.000 PHE 295 1.000 53.337 180.252 44.433 -99.200 -91.000 TYR 358 0.840 62.335 159.927 24.182 -99.200 -91.000 HIS 367 0.900 68.123 177.293 21.736 -99.200 -91.000 PHE 378 1.000 56.052 195.794 30.662 -99.200 -91.000 HIS 379 0.900 63.472 192.550 27.590 -99.200 -91.000 PHE 383 1.000 67.510 200.022 32.629 -99.200 -91.000 HIS 392 0.900 71.980 199.945 47.210 -99.200 -91.000 TYR 409 0.840 66.283 197.863 27.656 -99.200 -91.000 HIS 427 0.900 80.511 188.048 35.483 -99.200 -91.000 TYR 432 0.840 71.706 197.644 36.368 -99.200 -91.000 HIS 445 0.900 91.716 180.001 27.251 -99.200 -91.000 HIS 452 0.900 78.281 179.385 28.570 -99.200 -91.000 TYR 454 0.840 77.593 186.177 36.243 -99.200 -91.000 PHE 458 1.000 74.542 184.616 23.642 -99.200 -91.000 TRP 470 1.040 94.001 200.059 25.382 -99.200 -91.000 TRP6 470 1.020 93.717 198.023 26.536 -99.200 -91.000 PHE 490 1.000 74.361 185.485 18.623 -99.200 -91.000 PHE 491 1.000 76.703 191.291 15.464 -99.200 -91.000 TRP 503 1.040 90.712 206.756 27.316 -99.200 -91.000 TRP6 503 1.020 89.837 207.436 25.228 -99.200 -91.000 PHE 509 1.000 85.017 201.903 35.130 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1a49H1 ILE 4812 HA -0.01 -0.10 0.25 -0.75 4.18 3.55 1a49H1 ILE 4812 HB -0.00 -0.00 0.08 -0.04 1.89 1.92 1a49H1 ILE 4812 HG12 -0.01 -0.04 0.05 -0.04 1.49 1.46 1a49H1 ILE 4812 HG13 -0.01 -0.01 0.04 -0.04 1.21 1.19 1a49H1 ILE 4812 HG23 -0.00 0.01 -0.17 -0.04 0.93 0.73 1a49H1 ILE 4812 HD13 -0.00 0.00 0.01 -0.04 0.88 0.85 1a49H1 GLN 4813 H -0.01 0.11 0.14 -0.55 8.47 8.17 1a49H1 GLN 4813 HA -0.01 0.13 0.70 -0.75 4.36 4.42 1a49H1 GLN 4813 HB2 -0.01 0.13 0.06 -0.04 2.15 2.29 1a49H1 GLN 4813 HB3 -0.00 -0.09 0.01 -0.04 2.02 1.89 1a49H1 GLN 4813 HG2 -0.03 0.01 0.03 -0.04 2.40 2.36 1a49H1 GLN 4813 HG3 -0.03 -0.04 -0.05 -0.04 2.39 2.23 1a49H1 GLN 4813 HE21 -0.09 0.02 -0.14 -0.04 6.97 6.73 1a49H1 GLN 4813 HE22 -0.05 0.07 -0.22 -0.04 7.69 7.44 1a49H1 THR 4814 H 0.01 0.19 0.24 -0.55 8.28 8.17 1a49H1 THR 4814 HA 0.01 0.06 0.96 -0.75 4.39 4.68 1a49H1 THR 4814 HB 0.01 -0.02 -0.63 -0.04 4.32 3.64 1a49H1 THR 4814 HG23 0.02 0.00 -0.07 -0.04 1.22 1.13 1a49H1 GLN 4815 H 0.02 0.57 -0.15 -0.55 8.47 8.37 1a49H1 GLN 4815 HA 0.03 0.05 0.23 -0.75 4.36 3.92 1a49H1 GLN 4815 HB2 0.02 -0.00 -0.62 -0.04 2.15 1.50 1a49H1 GLN 4815 HB3 0.02 0.05 0.26 -0.04 2.02 2.31 1a49H1 GLN 4815 HG2 0.03 0.03 0.12 -0.04 2.40 2.53 1a49H1 GLN 4815 HG3 0.02 -0.03 0.08 -0.04 2.39 2.42 1a49H1 GLN 4815 HE21 0.01 0.07 0.00 -0.04 6.97 7.00 1a49H1 GLN 4815 HE22 0.02 -0.04 -0.03 -0.04 7.69 7.60 1a49H1 GLN 4816 H 0.02 0.02 -0.35 -0.55 8.47 7.61 1a49H1 GLN 4816 HA 0.00 -0.12 0.28 -0.75 4.36 3.77 1a49H1 GLN 4816 HB2 0.04 0.49 -0.12 -0.04 2.15 2.53 1a49H1 GLN 4816 HB3 -0.07 -0.09 0.17 -0.04 2.02 1.99 1a49H1 GLN 4816 HG2 0.02 -0.01 -0.23 -0.04 2.40 2.14 1a49H1 GLN 4816 HG3 0.00 0.06 -0.16 -0.04 2.39 2.25 1a49H1 GLN 4816 HE21 -0.01 0.58 0.22 -0.04 6.97 7.72 1a49H1 GLN 4816 HE22 0.00 0.09 0.05 -0.04 7.69 7.79 1a49H1 LEU 4817 H 0.03 0.55 -0.45 -0.55 8.37 7.96 1a49H1 LEU 4817 HA 0.04 0.13 0.40 -0.75 4.35 4.17 1a49H1 LEU 4817 HB2 0.03 0.01 0.18 -0.04 1.64 1.82 1a49H1 LEU 4817 HB3 0.03 -0.05 0.11 -0.04 1.64 1.70 1a49H1 LEU 4817 HG 0.02 0.15 0.08 -0.04 1.64 1.85 1a49H1 LEU 4817 HD13 0.01 -0.01 0.03 -0.04 0.93 0.93 1a49H1 LEU 4817 HD23 -0.00 -0.01 0.07 -0.04 0.89 0.91 1a49H1 HIS 4818 H 0.11 0.01 -0.35 -0.55 8.41 7.63 1a49H1 HIS 4818 HA -0.01 0.15 0.51 -0.75 4.63 4.53 1a49H1 HIS 4818 HB2 -0.02 -0.00 0.03 -0.04 3.26 3.23 1a49H1 HIS 4818 HB3 -0.04 0.01 0.04 -0.04 3.20 3.16 1a49H1 HIS 4818 HD2 -0.01 0.03 0.02 -0.04 6.97 6.97 1a49H1 HIS 4818 HE1 -0.03 -0.02 -0.05 -0.04 7.75 7.60 1a49H1 ALA 4819 H -0.04 0.08 -0.09 -0.55 8.40 7.80 1a49H1 ALA 4819 HA -0.32 -0.00 0.48 -0.75 4.34 3.75 1a49H1 ALA 4819 HB3 -0.45 0.10 0.00 -0.04 1.41 1.02 1a49H1 ALA 4820 H 0.00 0.36 -0.41 -0.55 8.40 7.80 1a49H1 ALA 4820 HA 0.20 -0.01 0.23 -0.75 4.34 4.00 1a49H1 ALA 4820 HB3 0.08 0.08 0.09 -0.04 1.41 1.61 1a49H1 MET 4821 H -0.03 0.37 -0.57 -0.55 8.47 7.69 1a49H1 MET 4821 HA 0.06 0.11 0.58 -0.75 4.52 4.51 1a49H1 MET 4821 HB2 -0.03 0.13 0.10 -0.04 2.15 2.31 1a49H1 MET 4821 HB3 0.02 -0.12 0.07 -0.04 2.03 1.96 1a49H1 MET 4821 HG2 0.05 0.23 0.08 -0.04 2.63 2.95 1a49H1 MET 4821 HG3 0.06 -0.10 0.04 -0.04 2.56 2.52 1a49H1 MET 4821 HE3 0.04 -0.02 0.07 -0.04 2.10 2.16 1a49H1 ALA 4822 H -0.04 0.49 -0.33 -0.55 8.40 7.97 1a49H1 ALA 4822 HA -0.02 -0.06 0.28 -0.75 4.34 3.78 1a49H1 ALA 4822 HB3 -0.12 -0.03 -0.05 -0.04 1.41 1.17 1a49H1 ASP 4823 H 0.06 -0.03 0.15 -0.55 8.40 8.03 1a49H1 ASP 4823 HA 0.13 0.26 0.75 -0.75 4.63 5.02 1a49H1 ASP 4823 HB2 0.07 -0.01 0.04 -0.04 2.71 2.76 1a49H1 ASP 4823 HB3 0.06 0.09 0.10 -0.04 2.70 2.90 1a49H1 THR 4824 H 0.11 -0.02 0.13 -0.55 8.28 7.95 1a49H1 THR 4824 HA 0.19 0.26 0.74 -0.75 4.39 4.83 1a49H1 THR 4824 HB 0.10 -0.04 0.10 -0.04 4.32 4.44 1a49H1 THR 4824 HG23 0.06 0.04 -0.01 -0.04 1.22 1.27 1a49H1 PHE 4825 H 0.33 0.20 0.15 -0.55 8.34 8.47 1a49H1 PHE 4825 HA 0.31 0.20 0.36 -0.75 4.62 4.73 1a49H1 PHE 4825 HB2 0.17 0.09 0.11 -0.04 3.15 3.48 1a49H1 PHE 4825 HB3 0.10 -0.05 0.11 -0.04 3.06 3.18 1a49H1 PHE 4825 HD2 0.10 -0.02 0.04 -0.04 7.28 7.36 1a49H1 PHE 4825 HE2 0.12 0.06 -0.03 -0.04 7.38 7.48 1a49H1 PHE 4825 HZ 0.07 0.05 -0.04 -0.04 7.32 7.36 1a49H1 LEU 4826 H 0.05 0.06 -0.12 -0.55 8.37 7.82 1a49H1 LEU 4826 HA -0.27 0.11 0.38 -0.75 4.35 3.81 1a49H1 LEU 4826 HB2 -0.05 0.03 0.09 -0.04 1.64 1.66 1a49H1 LEU 4826 HB3 -0.02 -0.07 0.07 -0.04 1.64 1.58 1a49H1 LEU 4826 HG -0.07 0.03 -0.26 -0.04 1.64 1.31 1a49H1 LEU 4826 HD13 -0.09 0.01 0.01 -0.04 0.93 0.82 1a49H1 LEU 4826 HD23 -0.02 0.00 -0.03 -0.04 0.89 0.80 1a49H1 GLU 4827 H 0.00 -0.01 -0.28 -0.55 8.60 7.77 1a49H1 GLU 4827 HA -0.07 0.07 0.37 -0.75 4.29 3.91 1a49H1 GLU 4827 HB2 0.01 -0.17 0.14 -0.04 2.09 2.03 1a49H1 GLU 4827 HB3 -0.03 0.07 0.00 -0.04 1.99 1.98 1a49H1 GLU 4827 HG2 -0.03 0.01 0.02 -0.04 2.34 2.29 1a49H1 GLU 4827 HG3 -0.01 -0.03 0.04 -0.04 2.34 2.30 1a49H1 HIS 4828 H -0.01 0.52 -0.20 -0.55 8.41 8.18 1a49H1 HIS 4828 HA -0.32 0.12 0.43 -0.75 4.63 4.11 1a49H1 HIS 4828 HB2 -1.08 0.00 0.02 -0.04 3.26 2.16 1a49H1 HIS 4828 HB3 -0.14 0.07 0.16 -0.04 3.20 3.24 1a49H1 HIS 4828 HD2 0.18 -0.08 -0.16 -0.04 6.97 6.86 1a49H1 HIS 4828 HE1 -0.06 0.16 -0.15 -0.04 7.75 7.65 1a49H1 MET 4829 H -0.22 0.57 -0.12 -0.55 8.47 8.15 1a49H1 MET 4829 HA -0.15 0.04 0.30 -0.75 4.52 3.95 1a49H1 MET 4829 HB2 -0.34 0.12 0.26 -0.04 2.15 2.16 1a49H1 MET 4829 HB3 -0.20 -0.06 -0.02 -0.04 2.03 1.71 1a49H1 MET 4829 HG2 -0.23 -0.00 0.04 -0.04 2.63 2.39 1a49H1 MET 4829 HG3 -1.01 0.05 0.02 -0.04 2.56 1.59 1a49H1 MET 4829 HE3 -0.10 -0.01 -0.02 -0.04 2.10 1.93 1a49H1 CYS 4830 H -0.15 0.50 -0.18 -0.55 8.50 8.13 1a49H1 CYS 4830 HA -0.09 -0.04 0.33 -0.75 4.58 4.02 1a49H1 CYS 4830 HB2 -0.09 0.07 0.16 -0.04 2.97 3.07 1a49H1 CYS 4830 HB3 -0.06 -0.06 -0.01 -0.04 2.97 2.80 1a49H1 ARG 4831 H -0.18 0.46 -0.57 -0.55 8.46 7.62 1a49H1 ARG 4831 HA -0.05 0.06 0.71 -0.75 4.34 4.30 1a49H1 ARG 4831 HB2 -0.28 0.20 0.13 -0.04 1.90 1.91 1a49H1 ARG 4831 HB3 -0.19 -0.18 0.04 -0.04 1.80 1.43 1a49H1 ARG 4831 HG2 -0.12 -0.07 -0.06 -0.04 1.67 1.37 1a49H1 ARG 4831 HG3 -0.17 0.15 -0.05 -0.04 1.67 1.57 1a49H1 ARG 4831 HD2 -0.35 0.04 -0.05 -0.04 3.22 2.83 1a49H1 ARG 4831 HD3 -0.96 -0.02 -0.29 -0.04 3.22 1.90 1a49H1 LEU 4832 H -0.14 0.48 -0.12 -0.55 8.37 8.04 1a49H1 LEU 4832 HA -0.13 0.02 0.62 -0.75 4.35 4.10 1a49H1 LEU 4832 HB2 -0.08 -0.02 0.12 -0.04 1.64 1.62 1a49H1 LEU 4832 HB3 -0.07 -0.06 0.03 -0.04 1.64 1.51 1a49H1 LEU 4832 HG -0.22 0.18 0.12 -0.04 1.64 1.68 1a49H1 LEU 4832 HD13 -0.02 -0.03 0.03 -0.04 0.93 0.87 1a49H1 LEU 4832 HD23 -0.21 0.01 0.03 -0.04 0.89 0.68 1a49H1 ASP 4833 H -0.04 0.20 0.19 -0.55 8.40 8.20 1a49H1 ASP 4833 HA -0.02 0.14 0.87 -0.75 4.63 4.87 1a49H1 ASP 4833 HB2 -0.00 0.19 -0.02 -0.04 2.71 2.84 1a49H1 ASP 4833 HB3 -0.01 -0.07 0.15 -0.04 2.70 2.73 1a49H1 ILE 4834 H -0.02 0.21 0.16 -0.55 8.25 8.06 1a49H1 ILE 4834 HA -0.01 0.18 0.47 -0.75 4.18 4.07 1a49H1 ILE 4834 HB -0.01 0.03 0.13 -0.04 1.89 2.01 1a49H1 ILE 4834 HG12 -0.01 -0.01 0.12 -0.04 1.49 1.55 1a49H1 ILE 4834 HG13 -0.01 0.03 -0.03 -0.04 1.21 1.15 1a49H1 ILE 4834 HG23 -0.01 0.01 0.01 -0.04 0.93 0.90 1a49H1 ILE 4834 HD13 -0.01 -0.00 -0.00 -0.04 0.88 0.83 1a49H1 ASP 4835 H -0.01 -0.03 -0.36 -0.55 8.40 7.45 1a49H1 ASP 4835 HA -0.00 0.27 0.66 -0.75 4.63 4.80 1a49H1 ASP 4835 HB2 -0.01 -0.02 0.02 -0.04 2.71 2.66 1a49H1 ASP 4835 HB3 -0.01 0.03 0.14 -0.04 2.70 2.82 1a49H1 SER 4836 H -0.00 0.44 -0.45 -0.55 8.46 7.90 1a49H1 SER 4836 HA 0.00 0.16 0.75 -0.75 4.49 4.65 1a49H1 SER 4836 HB2 0.00 -0.05 0.01 -0.04 3.95 3.87 1a49H1 SER 4836 HB3 0.00 0.11 0.11 -0.04 3.93 4.11 1a49H1 ALA 4837 H 0.01 0.68 0.24 -0.55 8.40 8.78 1a49H1 ALA 4837 HA 0.01 0.23 0.55 -0.75 4.34 4.38 1a49H1 ALA 4837 HB3 0.01 0.03 0.09 -0.04 1.41 1.50 1a49H1 PRO 4838 HA 0.02 -0.04 0.49 -0.51 4.44 4.40 1a49H1 PRO 4838 HB2 0.01 0.26 -0.14 -0.04 2.28 2.37 1a49H1 PRO 4838 HB3 0.02 0.05 0.05 -0.04 2.02 2.10 1a49H1 PRO 4838 HG2 0.01 0.06 0.02 -0.04 2.03 2.07 1a49H1 PRO 4838 HG3 0.01 -0.01 0.04 -0.04 2.03 2.02 1a49H1 PRO 4838 HD2 0.01 0.04 0.23 -0.04 3.68 3.92 1a49H1 PRO 4838 HD3 0.01 0.27 0.33 -0.04 3.65 4.23 1a49H1 ILE 4839 H 0.02 0.10 0.19 -0.55 8.25 8.02 1a49H1 ILE 4839 HA 0.04 0.11 0.50 -0.75 4.18 4.06 1a49H1 ILE 4839 HB 0.02 -0.08 0.23 -0.04 1.89 2.02 1a49H1 ILE 4839 HG12 0.02 -0.07 0.14 -0.04 1.49 1.54 1a49H1 ILE 4839 HG13 0.02 0.12 -0.11 -0.04 1.21 1.20 1a49H1 ILE 4839 HG23 0.02 0.00 0.07 -0.04 0.93 0.99 1a49H1 ILE 4839 HD13 -0.03 0.01 0.05 -0.04 0.88 0.87 1a49H1 THR 4840 H 0.08 0.13 0.18 -0.55 8.28 8.12 1a49H1 THR 4840 HA 0.10 0.11 0.52 -0.75 4.39 4.37 1a49H1 THR 4840 HB 0.20 0.06 -0.11 -0.04 4.32 4.43 1a49H1 THR 4840 HG23 0.07 -0.01 0.03 -0.04 1.22 1.26 1a49H1 ALA 4841 H -0.00 -0.01 -0.00 -0.55 8.40 7.84 1a49H1 ALA 4841 HA 0.16 0.08 0.52 -0.75 4.34 4.35 1a49H1 ALA 4841 HB3 -0.90 0.01 0.06 -0.04 1.41 0.55 1a49H1 ARG 4842 H 0.41 0.21 0.14 -0.55 8.46 8.66 1a49H1 ARG 4842 HA 0.08 0.06 0.68 -0.75 4.34 4.41 1a49H1 ARG 4842 HB2 -0.05 0.10 0.02 -0.04 1.90 1.92 1a49H1 ARG 4842 HB3 0.27 0.03 0.16 -0.04 1.80 2.21 1a49H1 ARG 4842 HG2 0.01 -0.14 0.04 -0.04 1.67 1.54 1a49H1 ARG 4842 HG3 -0.20 0.07 0.11 -0.04 1.67 1.60 1a49H1 ARG 4842 HD2 0.09 0.17 -0.09 -0.04 3.22 3.34 1a49H1 ARG 4842 HD3 0.08 -0.09 0.02 -0.04 3.22 3.19 1a49H1 ASN 4843 H 0.10 0.15 0.03 -0.55 8.53 8.26 1a49H1 ASN 4843 HA 0.04 0.22 0.89 -0.75 4.76 5.15 1a49H1 ASN 4843 HB2 0.10 0.05 -0.02 -0.04 2.88 2.97 1a49H1 ASN 4843 HB3 0.11 -0.04 0.08 -0.04 2.79 2.90 1a49H1 ASN 4843 HD21 0.11 0.22 -0.25 -0.04 7.03 7.07 1a49H1 ASN 4843 HD22 0.14 0.00 -0.10 -0.04 7.74 7.74 1a49H1 THR 4844 H 0.04 -0.00 -0.02 -0.55 8.28 7.75 1a49H1 THR 4844 HA 0.02 0.34 0.84 -0.75 4.39 4.83 1a49H1 THR 4844 HB 0.02 -0.10 0.03 -0.04 4.32 4.24 1a49H1 THR 4844 HG23 0.01 0.03 -0.19 -0.04 1.22 1.04 1a49H1 GLY 4845 H 0.02 0.43 0.27 -0.55 8.43 8.59 1a49H1 GLY 4845 HA2 0.02 0.10 0.47 -0.51 4.01 4.08 1a49H1 GLY 4845 HA3 0.04 0.17 0.34 -0.51 4.01 4.04 1a49H1 ILE 4846 H -0.02 0.24 0.21 -0.55 8.25 8.14 1a49H1 ILE 4846 HA 0.02 0.14 1.01 -0.75 4.18 4.60 1a49H1 ILE 4846 HB 0.00 0.26 0.15 -0.04 1.89 2.26 1a49H1 ILE 4846 HG12 0.04 -0.15 -0.15 -0.04 1.49 1.19 1a49H1 ILE 4846 HG13 0.04 0.21 -0.38 -0.04 1.21 1.04 1a49H1 ILE 4846 HG23 0.02 -0.07 -0.31 -0.04 0.93 0.53 1a49H1 ILE 4846 HD13 0.09 0.04 -0.11 -0.04 0.88 0.86 1a49H1 ILE 4847 H 0.03 0.59 0.22 -0.55 8.25 8.54 1a49H1 ILE 4847 HA 0.04 0.22 1.06 -0.75 4.18 4.75 1a49H1 ILE 4847 HB 0.06 -0.05 0.14 -0.04 1.89 2.00 1a49H1 ILE 4847 HG12 0.10 0.02 -0.22 -0.04 1.49 1.35 1a49H1 ILE 4847 HG13 0.04 0.05 -0.39 -0.04 1.21 0.88 1a49H1 ILE 4847 HG23 0.20 -0.03 -0.26 -0.04 0.93 0.80 1a49H1 ILE 4847 HD13 0.05 -0.00 -0.24 -0.04 0.88 0.65 1a49H1 CYS 4848 H 0.04 0.84 0.34 -0.55 8.50 9.17 1a49H1 CYS 4848 HA 0.06 0.10 1.18 -0.75 4.58 5.16 1a49H1 CYS 4848 HB2 0.04 0.03 -0.09 -0.04 2.97 2.91 1a49H1 CYS 4848 HB3 0.04 -0.06 -0.04 -0.04 2.97 2.87 1a49H1 THR 4849 H 0.07 0.29 0.16 -0.55 8.28 8.25 1a49H1 THR 4849 HA 0.09 0.26 0.80 -0.75 4.39 4.79 1a49H1 THR 4849 HB 0.08 -0.07 0.20 -0.04 4.32 4.49 1a49H1 THR 4849 HG23 0.11 0.00 -0.03 -0.04 1.22 1.26 1a49H1 ILE 4850 H 0.09 0.36 0.21 -0.55 8.25 8.36 1a49H1 ILE 4850 HA 0.06 0.12 0.56 -0.75 4.18 4.16 1a49H1 ILE 4850 HB 0.07 -0.05 0.03 -0.04 1.89 1.91 1a49H1 ILE 4850 HG12 0.06 -0.02 -0.03 -0.04 1.49 1.45 1a49H1 ILE 4850 HG13 0.04 0.06 -0.08 -0.04 1.21 1.19 1a49H1 ILE 4850 HG23 0.03 0.03 -0.22 -0.04 0.93 0.73 1a49H1 ILE 4850 HD13 0.04 -0.04 -0.43 -0.04 0.88 0.41 1a49H1 GLY 4851 H 0.06 0.19 0.22 -0.55 8.43 8.36 1a49H1 GLY 4851 HA2 0.15 0.15 0.74 -0.51 4.01 4.54 1a49H1 GLY 4851 HA3 0.09 0.23 0.57 -0.51 4.01 4.39 1a49H1 PRO 4852 HA 0.08 0.02 0.50 -0.51 4.44 4.53 1a49H1 PRO 4852 HB2 0.02 0.09 0.04 -0.04 2.28 2.39 1a49H1 PRO 4852 HB3 0.05 -0.01 0.16 -0.04 2.02 2.18 1a49H1 PRO 4852 HG2 0.02 0.08 0.19 -0.04 2.03 2.28 1a49H1 PRO 4852 HG3 0.01 -0.01 0.12 -0.04 2.03 2.11 1a49H1 PRO 4852 HD2 0.06 0.27 0.30 -0.04 3.68 4.28 1a49H1 PRO 4852 HD3 0.10 0.04 0.20 -0.04 3.65 3.96 1a49H1 ALA 4853 H 0.04 0.56 -0.18 -0.55 8.40 8.27 1a49H1 ALA 4853 HA 0.01 0.10 0.38 -0.75 4.34 4.07 1a49H1 ALA 4853 HB3 0.01 0.02 -0.31 -0.04 1.41 1.09 1a49H1 SER 4854 H 0.04 0.51 -0.29 -0.55 8.46 8.17 1a49H1 SER 4854 HA 0.02 0.22 1.11 -0.75 4.49 5.08 1a49H1 SER 4854 HB2 0.03 -0.04 0.06 -0.04 3.95 3.96 1a49H1 SER 4854 HB3 0.03 0.08 -0.15 -0.04 3.93 3.86 1a49H1 ARG 4855 H 0.02 0.52 0.15 -0.55 8.46 8.60 1a49H1 ARG 4855 HA -0.01 0.12 0.43 -0.75 4.34 4.13 1a49H1 ARG 4855 HB2 -0.10 -0.04 0.04 -0.04 1.90 1.76 1a49H1 ARG 4855 HB3 -0.06 -0.04 -0.01 -0.04 1.80 1.64 1a49H1 ARG 4855 HG2 0.02 0.35 -0.01 -0.04 1.67 2.00 1a49H1 ARG 4855 HG3 -0.02 -0.01 -0.05 -0.04 1.67 1.55 1a49H1 ARG 4855 HD2 0.08 -0.06 -0.18 -0.04 3.22 3.02 1a49H1 ARG 4855 HD3 -0.02 -0.01 -0.06 -0.04 3.22 3.09 1a49H1 SER 4856 H -0.00 0.10 -0.38 -0.55 8.46 7.63 1a49H1 SER 4856 HA -0.02 0.11 0.53 -0.75 4.49 4.35 1a49H1 SER 4856 HB2 -0.01 -0.05 0.11 -0.04 3.95 3.96 1a49H1 SER 4856 HB3 -0.00 0.11 0.08 -0.04 3.93 4.07 1a49H1 VAL 4857 H -0.01 0.17 0.20 -0.55 8.24 8.05 1a49H1 VAL 4857 HA -0.01 0.17 0.43 -0.75 4.13 3.97 1a49H1 VAL 4857 HB -0.02 -0.07 0.15 -0.04 2.12 2.15 1a49H1 VAL 4857 HG13 -0.03 0.02 -0.12 -0.04 0.97 0.80 1a49H1 VAL 4857 HG23 -0.02 0.04 0.13 -0.04 0.95 1.06 1a49H1 GLU 4858 H -0.01 0.02 -0.27 -0.55 8.60 7.79 1a49H1 GLU 4858 HA -0.00 0.17 0.48 -0.75 4.29 4.19 1a49H1 GLU 4858 HB2 -0.00 -0.04 0.04 -0.04 2.09 2.05 1a49H1 GLU 4858 HB3 0.00 0.07 -0.01 -0.04 1.99 2.01 1a49H1 GLU 4858 HG2 -0.01 -0.08 -0.04 -0.04 2.34 2.16 1a49H1 GLU 4858 HG3 -0.01 0.03 -0.00 -0.04 2.34 2.32 1a49H1 THR 4859 H 0.01 0.06 -0.17 -0.55 8.28 7.63 1a49H1 THR 4859 HA 0.02 0.10 0.61 -0.75 4.39 4.37 1a49H1 THR 4859 HB 0.02 0.15 0.08 -0.04 4.32 4.53 1a49H1 THR 4859 HG23 0.02 0.05 0.07 -0.04 1.22 1.32 1a49H1 LEU 4860 H 0.02 0.49 -0.29 -0.55 8.37 8.05 1a49H1 LEU 4860 HA 0.04 0.01 0.21 -0.75 4.35 3.85 1a49H1 LEU 4860 HB2 0.02 0.05 0.05 -0.04 1.64 1.72 1a49H1 LEU 4860 HB3 0.04 -0.00 -0.06 -0.04 1.64 1.57 1a49H1 LEU 4860 HG 0.01 0.25 -0.06 -0.04 1.64 1.80 1a49H1 LEU 4860 HD13 0.01 -0.05 -0.31 -0.04 0.93 0.54 1a49H1 LEU 4860 HD23 0.02 -0.06 -0.06 -0.04 0.89 0.75 1a49H1 LYS 4861 H 0.04 0.35 -0.23 -0.55 8.42 8.03 1a49H1 LYS 4861 HA 0.28 0.11 0.43 -0.75 4.32 4.39 1a49H1 LYS 4861 HB2 0.05 0.01 0.11 -0.04 1.87 2.00 1a49H1 LYS 4861 HB3 0.17 0.02 0.06 -0.04 1.79 1.99 1a49H1 LYS 4861 HG2 -0.24 0.13 0.12 -0.04 1.46 1.42 1a49H1 LYS 4861 HG3 -0.04 0.15 0.15 -0.04 1.46 1.68 1a49H1 LYS 4861 HD2 -0.06 -0.08 -0.01 -0.04 1.69 1.50 1a49H1 LYS 4861 HD3 -0.18 0.01 0.01 -0.04 1.68 1.48 1a49H1 LYS 4861 HE2 -0.26 0.08 0.03 -0.04 2.99 2.80 1a49H1 LYS 4861 HE3 -0.10 -0.06 -0.06 -0.04 2.99 2.72 1a49H1 GLU 4862 H 0.07 0.33 -0.33 -0.55 8.60 8.12 1a49H1 GLU 4862 HA 0.08 0.05 0.44 -0.75 4.29 4.10 1a49H1 GLU 4862 HB2 0.04 0.13 0.25 -0.04 2.09 2.47 1a49H1 GLU 4862 HB3 0.04 -0.07 0.05 -0.04 1.99 1.96 1a49H1 GLU 4862 HG2 0.05 0.10 0.08 -0.04 2.34 2.53 1a49H1 GLU 4862 HG3 0.04 -0.08 0.04 -0.04 2.34 2.29 1a49H1 MET 4863 H 0.05 0.58 -0.15 -0.55 8.47 8.39 1a49H1 MET 4863 HA 0.02 -0.06 0.30 -0.75 4.52 4.02 1a49H1 MET 4863 HB2 0.04 0.26 0.16 -0.04 2.15 2.56 1a49H1 MET 4863 HB3 0.02 -0.08 -0.11 -0.04 2.03 1.82 1a49H1 MET 4863 HG2 0.03 -0.01 -0.08 -0.04 2.63 2.53 1a49H1 MET 4863 HG3 0.03 -0.03 -0.24 -0.04 2.56 2.27 1a49H1 MET 4863 HE3 0.03 -0.00 -0.18 -0.04 2.10 1.91 1a49H1 ILE 4864 H 0.06 0.65 -0.15 -0.55 8.25 8.26 1a49H1 ILE 4864 HA -0.05 0.12 0.62 -0.75 4.18 4.12 1a49H1 ILE 4864 HB 0.16 0.07 0.19 -0.04 1.89 2.27 1a49H1 ILE 4864 HG12 -0.00 0.08 -0.01 -0.04 1.49 1.52 1a49H1 ILE 4864 HG13 0.05 -0.04 0.03 -0.04 1.21 1.20 1a49H1 ILE 4864 HG23 -0.21 0.03 -0.20 -0.04 0.93 0.51 1a49H1 ILE 4864 HD13 0.17 -0.03 -0.17 -0.04 0.88 0.81 1a49H1 LYS 4865 H -0.02 0.56 -0.04 -0.55 8.42 8.37 1a49H1 LYS 4865 HA -0.21 0.07 0.45 -0.75 4.32 3.88 1a49H1 LYS 4865 HB2 -0.01 0.05 0.09 -0.04 1.87 1.96 1a49H1 LYS 4865 HB3 -0.06 -0.06 0.03 -0.04 1.79 1.66 1a49H1 LYS 4865 HG2 -0.14 -0.01 0.05 -0.04 1.46 1.31 1a49H1 LYS 4865 HG3 0.09 0.24 0.12 -0.04 1.46 1.87 1a49H1 LYS 4865 HD2 0.15 -0.08 -0.13 -0.04 1.69 1.59 1a49H1 LYS 4865 HD3 0.05 -0.03 -0.01 -0.04 1.68 1.64 1a49H1 LYS 4865 HE2 0.08 0.02 -0.01 -0.04 2.99 3.05 1a49H1 LYS 4865 HE3 0.33 0.01 -0.03 -0.04 2.99 3.26 1a49H1 SER 4866 H -0.04 0.37 -0.48 -0.55 8.46 7.76 1a49H1 SER 4866 HA -0.08 0.07 0.53 -0.75 4.49 4.26 1a49H1 SER 4866 HB2 -0.01 0.02 0.11 -0.04 3.95 4.02 1a49H1 SER 4866 HB3 -0.02 -0.11 -0.02 -0.04 3.93 3.74 1a49H1 GLY 4867 H -0.09 0.47 -0.40 -0.55 8.43 7.86 1a49H1 GLY 4867 HA2 -0.10 0.07 0.22 -0.51 4.01 3.69 1a49H1 GLY 4867 HA3 -0.10 0.13 0.92 -0.51 4.01 4.45 1a49H1 MET 4868 H -0.05 0.50 0.19 -0.55 8.47 8.56 1a49H1 MET 4868 HA -0.03 -0.07 0.32 -0.75 4.52 3.98 1a49H1 MET 4868 HB2 -0.01 -0.12 -0.06 -0.04 2.15 1.92 1a49H1 MET 4868 HB3 -0.02 0.05 -0.21 -0.04 2.03 1.80 1a49H1 MET 4868 HG2 -0.05 0.08 -0.70 -0.04 2.63 1.91 1a49H1 MET 4868 HG3 -0.02 -0.05 -0.09 -0.04 2.56 2.36 1a49H1 MET 4868 HE3 0.03 -0.03 -0.04 -0.04 2.10 2.02 1a49H1 ASN 4869 H -0.08 0.46 0.44 -0.55 8.53 8.80 1a49H1 ASN 4869 HA -0.38 0.32 1.01 -0.75 4.76 4.95 1a49H1 ASN 4869 HB2 -0.14 -0.17 0.19 -0.04 2.88 2.72 1a49H1 ASN 4869 HB3 -0.73 0.02 0.12 -0.04 2.79 2.16 1a49H1 ASN 4869 HD21 -0.07 0.04 -0.08 -0.04 7.03 6.87 1a49H1 ASN 4869 HD22 -0.41 0.05 0.06 -0.04 7.74 7.40 1a49H1 VAL 4870 H -0.05 0.30 0.33 -0.55 8.24 8.27 1a49H1 VAL 4870 HA -0.03 0.24 0.88 -0.75 4.13 4.47 1a49H1 VAL 4870 HB 0.07 -0.16 -0.08 -0.04 2.12 1.91 1a49H1 VAL 4870 HG13 0.06 -0.03 -0.36 -0.04 0.97 0.61 1a49H1 VAL 4870 HG23 0.05 0.04 -0.34 -0.04 0.95 0.66 1a49H1 ALA 4871 H 0.00 0.85 0.26 -0.55 8.40 8.97 1a49H1 ALA 4871 HA 0.03 0.19 0.81 -0.75 4.34 4.62 1a49H1 ALA 4871 HB3 0.02 0.01 0.08 -0.04 1.41 1.49 1a49H1 ARG 4872 H 0.06 0.97 0.30 -0.55 8.46 9.24 1a49H1 ARG 4872 HA -0.04 0.11 0.83 -0.75 4.34 4.49 1a49H1 ARG 4872 HB2 0.19 0.04 -0.23 -0.04 1.90 1.86 1a49H1 ARG 4872 HB3 0.12 -0.02 -0.25 -0.04 1.80 1.62 1a49H1 ARG 4872 HG2 0.11 -0.04 -0.49 -0.04 1.67 1.21 1a49H1 ARG 4872 HG3 0.23 0.01 -0.26 -0.04 1.67 1.62 1a49H1 ARG 4872 HD2 0.23 0.05 -0.22 -0.04 3.22 3.24 1a49H1 ARG 4872 HD3 0.15 -0.05 -0.14 -0.04 3.22 3.13 1a49H1 MET 4873 H -0.01 0.72 0.21 -0.55 8.47 8.84 1a49H1 MET 4873 HA 0.16 0.10 0.71 -0.75 4.52 4.73 1a49H1 MET 4873 HB2 0.14 0.14 0.36 -0.04 2.15 2.74 1a49H1 MET 4873 HB3 0.31 -0.05 0.03 -0.04 2.03 2.27 1a49H1 MET 4873 HG2 0.10 0.12 -0.01 -0.04 2.63 2.79 1a49H1 MET 4873 HG3 0.23 -0.01 -0.02 -0.04 2.56 2.71 1a49H1 MET 4873 HE3 0.06 -0.00 -0.20 -0.04 2.10 1.91 1a49H1 ASN 4874 H 0.15 0.28 0.12 -0.55 8.53 8.54 1a49H1 ASN 4874 HA 0.12 0.07 0.52 -0.75 4.76 4.71 1a49H1 ASN 4874 HB2 0.12 0.02 0.07 -0.04 2.88 3.05 1a49H1 ASN 4874 HB3 0.14 0.05 0.21 -0.04 2.79 3.16 1a49H1 ASN 4874 HD21 0.04 0.01 -0.04 -0.04 7.03 6.99 1a49H1 ASN 4874 HD22 0.12 0.01 -0.02 -0.04 7.74 7.80 1a49H1 PHE 4875 H 0.27 0.70 0.35 -0.55 8.34 9.10 1a49H1 PHE 4875 HA -0.24 0.24 0.39 -0.75 4.62 4.26 1a49H1 PHE 4875 HB2 -0.08 0.11 0.12 -0.04 3.15 3.26 1a49H1 PHE 4875 HB3 -0.06 -0.12 0.11 -0.04 3.06 2.95 1a49H1 PHE 4875 HD2 -0.12 0.06 -0.09 -0.04 7.28 7.08 1a49H1 PHE 4875 HE2 -0.22 -0.01 -0.08 -0.04 7.38 7.02 1a49H1 PHE 4875 HZ 0.23 0.02 -0.12 -0.04 7.32 7.41 1a49H1 SER 4876 H -0.05 0.04 -0.60 -0.55 8.46 7.30 1a49H1 SER 4876 HA -0.14 -0.01 0.47 -0.75 4.49 4.06 1a49H1 SER 4876 HB2 -0.52 -0.02 0.01 -0.04 3.95 3.38 1a49H1 SER 4876 HB3 -0.68 -0.00 0.02 -0.04 3.93 3.23 1a49H1 HIS 4877 H -0.11 0.33 -0.24 -0.55 8.41 7.85 1a49H1 HIS 4877 HA -0.01 0.16 0.78 -0.75 4.63 4.79 1a49H1 HIS 4877 HB2 -0.06 0.02 -0.07 -0.04 3.26 3.11 1a49H1 HIS 4877 HB3 -0.07 -0.06 0.09 -0.04 3.20 3.12 1a49H1 HIS 4877 HD2 0.02 0.01 -0.07 -0.04 6.97 6.89 1a49H1 HIS 4877 HE1 0.01 0.01 -0.07 -0.04 7.75 7.65 1a49H1 GLY 4878 H -0.04 0.06 0.07 -0.55 8.43 7.97 1a49H1 GLY 4878 HA2 -0.38 -0.09 0.44 -0.51 4.01 3.48 1a49H1 GLY 4878 HA3 -0.44 0.20 0.63 -0.51 4.01 3.89 1a49H1 THR 4879 H -0.16 0.06 0.14 -0.55 8.28 7.77 1a49H1 THR 4879 HA -0.05 0.27 0.63 -0.75 4.39 4.48 1a49H1 THR 4879 HB -0.04 0.03 0.14 -0.04 4.32 4.41 1a49H1 THR 4879 HG23 -0.07 0.05 0.04 -0.04 1.22 1.20 1a49H1 HIS 4880 H -0.02 0.19 0.15 -0.55 8.41 8.19 1a49H1 HIS 4880 HA -0.38 0.16 0.29 -0.75 4.63 3.95 1a49H1 HIS 4880 HB2 -0.16 -0.02 0.16 -0.04 3.26 3.20 1a49H1 HIS 4880 HB3 -0.37 0.09 0.05 -0.04 3.20 2.93 1a49H1 HIS 4880 HD2 -0.22 -0.00 -0.22 -0.04 6.97 6.49 1a49H1 HIS 4880 HE1 -0.02 0.07 -0.27 -0.04 7.75 7.48 1a49H1 GLU 4881 H 0.06 0.04 -0.14 -0.55 8.60 8.02 1a49H1 GLU 4881 HA 0.12 0.15 0.09 -0.75 4.29 3.90 1a49H1 GLU 4881 HB2 0.07 0.03 0.06 -0.04 2.09 2.21 1a49H1 GLU 4881 HB3 0.05 -0.05 0.06 -0.04 1.99 2.01 1a49H1 GLU 4881 HG2 0.05 0.01 -0.07 -0.04 2.34 2.28 1a49H1 GLU 4881 HG3 0.06 0.05 0.01 -0.04 2.34 2.41 1a49H1 TYR 4882 H 0.08 -0.06 -0.35 -0.55 8.29 7.41 1a49H1 TYR 4882 HA -0.08 0.09 0.41 -0.75 4.56 4.23 1a49H1 TYR 4882 HB2 -0.16 -0.08 0.13 -0.04 3.06 2.90 1a49H1 TYR 4882 HB3 -0.40 0.12 0.15 -0.04 2.98 2.81 1a49H1 TYR 4882 HD2 -0.53 0.04 -0.07 -0.04 7.15 6.55 1a49H1 TYR 4882 HE2 -0.09 0.06 -0.05 -0.04 6.85 6.72 1a49H1 HIS 4883 H -0.06 0.64 -0.10 -0.55 8.41 8.34 1a49H1 HIS 4883 HA -0.03 -0.01 0.28 -0.75 4.63 4.12 1a49H1 HIS 4883 HB2 0.02 0.06 -0.05 -0.04 3.26 3.24 1a49H1 HIS 4883 HB3 0.15 -0.01 -0.05 -0.04 3.20 3.25 1a49H1 HIS 4883 HD2 -0.59 -0.03 -0.42 -0.04 6.97 5.88 1a49H1 HIS 4883 HE1 -0.04 0.07 -0.07 -0.04 7.75 7.66 1a49H1 ALA 4884 H 0.22 0.47 -0.32 -0.55 8.40 8.22 1a49H1 ALA 4884 HA 0.20 0.07 0.47 -0.75 4.34 4.33 1a49H1 ALA 4884 HB3 0.27 0.00 0.07 -0.04 1.41 1.71 1a49H1 GLU 4885 H -0.01 0.45 -0.29 -0.55 8.60 8.21 1a49H1 GLU 4885 HA -0.02 0.02 0.34 -0.75 4.29 3.88 1a49H1 GLU 4885 HB2 -0.06 0.03 0.15 -0.04 2.09 2.17 1a49H1 GLU 4885 HB3 -0.21 0.12 0.20 -0.04 1.99 2.06 1a49H1 GLU 4885 HG2 -0.10 -0.01 -0.16 -0.04 2.34 2.03 1a49H1 GLU 4885 HG3 -0.05 -0.02 0.03 -0.04 2.34 2.26 1a49H1 THR 4886 H -0.19 0.45 0.01 -0.55 8.28 8.00 1a49H1 THR 4886 HA -0.11 0.03 0.44 -0.75 4.39 4.00 1a49H1 THR 4886 HB 0.03 0.09 0.12 -0.04 4.32 4.53 1a49H1 THR 4886 HG23 0.01 -0.00 -0.07 -0.04 1.22 1.12 1a49H1 ILE 4887 H 0.04 0.54 -0.25 -0.55 8.25 8.04 1a49H1 ILE 4887 HA 0.03 -0.01 0.23 -0.75 4.18 3.67 1a49H1 ILE 4887 HB 0.03 0.14 0.10 -0.04 1.89 2.12 1a49H1 ILE 4887 HG12 0.15 0.37 0.07 -0.04 1.49 2.04 1a49H1 ILE 4887 HG13 0.06 -0.02 -0.04 -0.04 1.21 1.18 1a49H1 ILE 4887 HG23 -0.01 0.01 -0.11 -0.04 0.93 0.78 1a49H1 ILE 4887 HD13 0.11 -0.06 -0.05 -0.04 0.88 0.83 1a49H1 LYS 4888 H 0.00 0.44 -0.20 -0.55 8.42 8.11 1a49H1 LYS 4888 HA 0.00 0.03 0.50 -0.75 4.32 4.10 1a49H1 LYS 4888 HB2 -0.00 0.08 0.16 -0.04 1.87 2.07 1a49H1 LYS 4888 HB3 -0.01 0.06 0.18 -0.04 1.79 1.98 1a49H1 LYS 4888 HG2 -0.01 -0.05 -0.07 -0.04 1.46 1.29 1a49H1 LYS 4888 HG3 -0.00 0.00 0.06 -0.04 1.46 1.48 1a49H1 LYS 4888 HD2 -0.00 -0.01 -0.01 -0.04 1.69 1.63 1a49H1 LYS 4888 HD3 -0.00 -0.00 -0.00 -0.04 1.68 1.63 1a49H1 LYS 4888 HE2 -0.01 0.00 -0.05 -0.04 2.99 2.89 1a49H1 LYS 4888 HE3 -0.01 -0.01 -0.04 -0.04 2.99 2.90 1a49H1 ASN 4889 H -0.02 0.64 -0.03 -0.55 8.53 8.57 1a49H1 ASN 4889 HA -0.01 -0.06 0.41 -0.75 4.76 4.34 1a49H1 ASN 4889 HB2 -0.03 0.13 0.23 -0.04 2.88 3.17 1a49H1 ASN 4889 HB3 -0.02 -0.08 0.01 -0.04 2.79 2.66 1a49H1 ASN 4889 HD21 -0.05 -0.13 0.00 -0.04 7.03 6.82 1a49H1 ASN 4889 HD22 -0.05 0.53 0.11 -0.04 7.74 8.29 1a49H1 VAL 4890 H 0.00 0.78 -0.01 -0.55 8.24 8.47 1a49H1 VAL 4890 HA 0.02 -0.04 0.29 -0.75 4.13 3.65 1a49H1 VAL 4890 HB 0.02 0.10 0.11 -0.04 2.12 2.31 1a49H1 VAL 4890 HG13 0.03 -0.00 -0.20 -0.04 0.97 0.76 1a49H1 VAL 4890 HG23 0.02 0.01 -0.04 -0.04 0.95 0.90 1a49H1 ARG 4891 H 0.02 0.58 -0.24 -0.55 8.46 8.26 1a49H1 ARG 4891 HA 0.05 0.08 0.52 -0.75 4.34 4.25 1a49H1 ARG 4891 HB2 0.02 0.06 0.16 -0.04 1.90 2.09 1a49H1 ARG 4891 HB3 0.04 -0.07 0.08 -0.04 1.80 1.81 1a49H1 ARG 4891 HG2 0.04 -0.03 -0.01 -0.04 1.67 1.63 1a49H1 ARG 4891 HG3 0.02 0.35 0.12 -0.04 1.67 2.11 1a49H1 ARG 4891 HD2 0.00 -0.04 -0.03 -0.04 3.22 3.12 1a49H1 ARG 4891 HD3 0.02 -0.05 0.02 -0.04 3.22 3.16 1a49H1 THR 4892 H 0.01 0.62 -0.05 -0.55 8.28 8.31 1a49H1 THR 4892 HA 0.01 -0.00 0.43 -0.75 4.39 4.08 1a49H1 THR 4892 HB -0.01 0.07 0.21 -0.04 4.32 4.56 1a49H1 THR 4892 HG23 -0.02 -0.03 -0.10 -0.04 1.22 1.03 1a49H1 ALA 4893 H 0.01 0.62 -0.01 -0.55 8.40 8.48 1a49H1 ALA 4893 HA -0.07 -0.01 0.50 -0.75 4.34 4.01 1a49H1 ALA 4893 HB3 0.03 0.01 0.03 -0.04 1.41 1.44 1a49H1 THR 4894 H 0.07 0.45 -0.33 -0.55 8.28 7.92 1a49H1 THR 4894 HA 0.19 0.06 0.29 -0.75 4.39 4.18 1a49H1 THR 4894 HB 0.12 0.03 0.21 -0.04 4.32 4.64 1a49H1 THR 4894 HG23 0.13 -0.01 -0.04 -0.04 1.22 1.26 1a49H1 GLU 4895 H 0.10 0.68 0.03 -0.55 8.60 8.87 1a49H1 GLU 4895 HA 0.29 0.05 0.40 -0.75 4.29 4.27 1a49H1 GLU 4895 HB2 0.05 0.06 0.09 -0.04 2.09 2.25 1a49H1 GLU 4895 HB3 0.04 -0.08 0.08 -0.04 1.99 2.00 1a49H1 GLU 4895 HG2 0.09 0.13 0.08 -0.04 2.34 2.59 1a49H1 GLU 4895 HG3 0.04 -0.07 0.03 -0.04 2.34 2.30 1a49H1 SER 4896 H -0.02 0.44 -0.66 -0.55 8.46 7.67 1a49H1 SER 4896 HA -0.08 -0.02 0.49 -0.75 4.49 4.12 1a49H1 SER 4896 HB2 -0.21 -0.15 0.13 -0.04 3.95 3.68 1a49H1 SER 4896 HB3 -0.17 0.20 0.18 -0.04 3.93 4.11 1a49H1 PHE 4897 H 0.17 0.51 -0.32 -0.55 8.34 8.16 1a49H1 PHE 4897 HA 0.07 0.08 0.54 -0.75 4.62 4.56 1a49H1 PHE 4897 HB2 0.08 0.15 0.13 -0.04 3.15 3.47 1a49H1 PHE 4897 HB3 0.07 0.06 0.12 -0.04 3.06 3.27 1a49H1 PHE 4897 HD2 0.01 0.05 0.03 -0.04 7.28 7.34 1a49H1 PHE 4897 HE2 -0.00 -0.06 0.01 -0.04 7.38 7.29 1a49H1 PHE 4897 HZ -0.00 -0.04 0.01 -0.04 7.32 7.25 1a49H1 ALA 4898 H 0.20 0.43 -0.57 -0.55 8.40 7.91 1a49H1 ALA 4898 HA 0.13 0.08 0.23 -0.75 4.34 4.02 1a49H1 ALA 4898 HB3 -0.04 0.04 0.07 -0.04 1.41 1.44 1a49H1 SER 4899 H 0.08 0.22 -0.38 -0.55 8.46 7.83 1a49H1 SER 4899 HA 0.02 0.03 0.43 -0.75 4.49 4.21 1a49H1 SER 4899 HB2 0.02 -0.05 0.04 -0.04 3.95 3.92 1a49H1 SER 4899 HB3 0.02 -0.02 0.08 -0.04 3.93 3.97 1a49H1 ASP 4900 H 0.11 0.32 -0.44 -0.55 8.40 7.84 1a49H1 ASP 4900 HA 0.04 0.18 0.90 -0.75 4.63 4.99 1a49H1 ASP 4900 HB2 0.05 0.00 -0.01 -0.04 2.71 2.72 1a49H1 ASP 4900 HB3 0.09 0.11 0.12 -0.04 2.70 2.97 1a49H1 PRO 4901 HA 0.04 0.08 0.24 -0.51 4.44 4.29 1a49H1 PRO 4901 HB2 0.01 0.00 -0.08 -0.04 2.28 2.17 1a49H1 PRO 4901 HB3 -0.01 0.00 0.10 -0.04 2.02 2.08 1a49H1 PRO 4901 HG2 0.01 -0.03 0.04 -0.04 2.03 2.01 1a49H1 PRO 4901 HG3 -0.00 0.04 0.06 -0.04 2.03 2.09 1a49H1 PRO 4901 HD2 0.02 0.02 0.18 -0.04 3.68 3.87 1a49H1 PRO 4901 HD3 0.02 0.45 -0.08 -0.04 3.65 4.00 1a49H1 ILE 4902 H 0.04 -0.05 -0.68 -0.55 8.25 7.01 1a49H1 ILE 4902 HA 0.03 0.11 0.70 -0.75 4.18 4.27 1a49H1 ILE 4902 HB 0.01 -0.08 0.12 -0.04 1.89 1.90 1a49H1 ILE 4902 HG12 0.01 -0.07 -0.04 -0.04 1.49 1.34 1a49H1 ILE 4902 HG13 -0.00 -0.00 -0.03 -0.04 1.21 1.14 1a49H1 ILE 4902 HG23 -0.03 0.01 -0.11 -0.04 0.93 0.76 1a49H1 ILE 4902 HD13 0.01 0.01 -0.09 -0.04 0.88 0.76 1a49H1 LEU 4903 H 0.04 -0.00 0.08 -0.55 8.37 7.94 1a49H1 LEU 4903 HA -0.01 0.16 0.31 -0.75 4.35 4.06 1a49H1 LEU 4903 HB2 0.03 -0.03 0.12 -0.04 1.64 1.71 1a49H1 LEU 4903 HB3 -0.03 0.03 0.14 -0.04 1.64 1.73 1a49H1 LEU 4903 HG -0.01 -0.15 0.06 -0.04 1.64 1.51 1a49H1 LEU 4903 HD13 -0.02 -0.01 0.01 -0.04 0.93 0.87 1a49H1 LEU 4903 HD23 -0.07 0.03 -0.19 -0.04 0.89 0.62 1a49H1 TYR 4904 H 0.19 0.13 -0.73 -0.55 8.29 7.33 1a49H1 TYR 4904 HA 0.08 0.03 0.46 -0.75 4.56 4.38 1a49H1 TYR 4904 HB2 0.07 -0.02 -0.25 -0.04 3.06 2.82 1a49H1 TYR 4904 HB3 0.04 0.07 -0.11 -0.04 2.98 2.94 1a49H1 TYR 4904 HD2 0.09 -0.04 -0.35 -0.04 7.15 6.82 1a49H1 TYR 4904 HE2 0.09 -0.04 -0.21 -0.04 6.85 6.66 1a49H1 ARG 4905 H -0.68 0.14 0.07 -0.55 8.46 7.44 1a49H1 ARG 4905 HA -0.13 0.33 1.03 -0.75 4.34 4.81 1a49H1 ARG 4905 HB2 -0.25 -0.10 0.05 -0.04 1.90 1.56 1a49H1 ARG 4905 HB3 -0.13 0.10 -0.05 -0.04 1.80 1.68 1a49H1 ARG 4905 HG2 -0.01 0.00 -0.02 -0.04 1.67 1.59 1a49H1 ARG 4905 HG3 -0.03 0.16 -0.13 -0.04 1.67 1.63 1a49H1 ARG 4905 HD2 -0.16 0.15 -0.23 -0.04 3.22 2.95 1a49H1 ARG 4905 HD3 -0.21 -0.05 -0.08 -0.04 3.22 2.84 1a49H1 PRO 4906 HA -0.09 0.00 0.54 -0.51 4.44 4.37 1a49H1 PRO 4906 HB2 0.17 0.06 -0.23 -0.04 2.28 2.24 1a49H1 PRO 4906 HB3 0.18 -0.07 -0.03 -0.04 2.02 2.07 1a49H1 PRO 4906 HG2 0.08 0.04 -0.10 -0.04 2.03 2.00 1a49H1 PRO 4906 HG3 0.18 -0.11 -0.11 -0.04 2.03 1.95 1a49H1 PRO 4906 HD2 0.06 0.28 0.20 -0.04 3.68 4.18 1a49H1 PRO 4906 HD3 0.05 0.12 -0.09 -0.04 3.65 3.70 1a49H1 VAL 4907 H 0.05 0.12 0.18 -0.55 8.24 8.04 1a49H1 VAL 4907 HA -0.09 0.39 0.88 -0.75 4.13 4.57 1a49H1 VAL 4907 HB 0.01 -0.11 0.08 -0.04 2.12 2.06 1a49H1 VAL 4907 HG13 -0.04 0.00 -0.21 -0.04 0.97 0.69 1a49H1 VAL 4907 HG23 -0.07 0.08 -0.13 -0.04 0.95 0.79 1a49H1 ALA 4908 H -0.00 0.56 0.26 -0.55 8.40 8.68 1a49H1 ALA 4908 HA 0.07 0.11 0.78 -0.75 4.34 4.53 1a49H1 ALA 4908 HB3 0.10 0.04 -0.04 -0.04 1.41 1.46 1a49H1 VAL 4909 H 0.01 0.19 0.17 -0.55 8.24 8.06 1a49H1 VAL 4909 HA -0.01 0.22 1.00 -0.75 4.13 4.59 1a49H1 VAL 4909 HB -0.01 0.01 0.21 -0.04 2.12 2.29 1a49H1 VAL 4909 HG13 -0.01 -0.01 -0.09 -0.04 0.97 0.82 1a49H1 VAL 4909 HG23 0.02 0.03 -0.13 -0.04 0.95 0.82 1a49H1 ALA 4910 H -0.09 0.79 0.30 -0.55 8.40 8.86 1a49H1 ALA 4910 HA -0.28 0.28 1.03 -0.75 4.34 4.61 1a49H1 ALA 4910 HB3 -0.77 -0.03 -0.15 -0.04 1.41 0.42 1a49H1 LEU 4911 H -0.39 0.49 0.29 -0.55 8.37 8.21 1a49H1 LEU 4911 HA -0.14 0.21 1.01 -0.75 4.35 4.68 1a49H1 LEU 4911 HB2 -0.21 0.06 -0.06 -0.04 1.64 1.39 1a49H1 LEU 4911 HB3 -0.25 -0.03 0.17 -0.04 1.64 1.49 1a49H1 LEU 4911 HG -0.81 0.07 0.01 -0.04 1.64 0.87 1a49H1 LEU 4911 HD13 -0.51 0.01 -0.07 -0.04 0.93 0.32 1a49H1 LEU 4911 HD23 -0.47 -0.04 -0.40 -0.04 0.89 -0.05 1a49H1 ASP 4912 H -0.02 0.70 0.16 -0.55 8.40 8.69 1a49H1 ASP 4912 HA 0.05 0.31 1.17 -0.75 4.63 5.41 1a49H1 ASP 4912 HB2 0.14 -0.02 -0.17 -0.04 2.71 2.62 1a49H1 ASP 4912 HB3 0.12 -0.11 0.03 -0.04 2.70 2.70 1a49H1 THR 4913 H 0.03 0.63 0.25 -0.55 8.28 8.65 1a49H1 THR 4913 HA -0.01 0.06 0.51 -0.75 4.39 4.20 1a49H1 THR 4913 HB 0.00 -0.15 0.10 -0.04 4.32 4.23 1a49H1 THR 4913 HG23 -0.06 0.08 -0.05 -0.04 1.22 1.15 1a49H1 LYS 4914 H 0.05 0.10 0.07 -0.55 8.42 8.10 1a49H1 LYS 4914 HA -0.00 0.05 0.35 -0.75 4.32 3.96 1a49H1 LYS 4914 HB2 0.05 0.16 -0.04 -0.04 1.87 2.00 1a49H1 LYS 4914 HB3 0.03 -0.15 0.07 -0.04 1.79 1.70 1a49H1 LYS 4914 HG2 -0.01 0.11 -0.11 -0.04 1.46 1.40 1a49H1 LYS 4914 HG3 -0.05 -0.04 0.09 -0.04 1.46 1.41 1a49H1 LYS 4914 HD2 -0.01 0.21 0.09 -0.04 1.69 1.94 1a49H1 LYS 4914 HD3 0.02 -0.14 0.01 -0.04 1.68 1.52 1a49H1 LYS 4914 HE2 0.02 -0.00 0.04 -0.04 2.99 3.00 1a49H1 LYS 4914 HE3 0.00 -0.06 -0.01 -0.04 2.99 2.88 1a49H1 GLY 4915 H 0.03 -0.12 -0.09 -0.55 8.43 7.70 1a49H1 GLY 4915 HA2 0.05 0.03 0.25 -0.51 4.01 3.83 1a49H1 GLY 4915 HA3 0.03 0.17 0.36 -0.51 4.01 4.06 1a49H1 PRO 4916 HA -0.01 -0.07 0.44 -0.51 4.44 4.29 1a49H1 PRO 4916 HB2 -0.01 -0.01 -0.10 -0.04 2.28 2.12 1a49H1 PRO 4916 HB3 0.04 -0.02 -0.04 -0.04 2.02 1.96 1a49H1 PRO 4916 HG2 0.35 0.12 -0.02 -0.04 2.03 2.43 1a49H1 PRO 4916 HG3 0.11 0.21 -0.29 -0.04 2.03 2.03 1a49H1 PRO 4916 HD2 0.14 0.22 0.09 -0.04 3.68 4.09 1a49H1 PRO 4916 HD3 0.07 -0.03 -0.02 -0.04 3.65 3.62 1a49H1 GLU 4917 H -0.06 0.15 0.19 -0.55 8.60 8.33 1a49H1 GLU 4917 HA -0.22 0.19 0.79 -0.75 4.29 4.30 1a49H1 GLU 4917 HB2 -0.04 -0.02 -0.06 -0.04 2.09 1.93 1a49H1 GLU 4917 HB3 -0.05 -0.02 -0.22 -0.04 1.99 1.66 1a49H1 GLU 4917 HG2 -0.08 -0.07 0.01 -0.04 2.34 2.16 1a49H1 GLU 4917 HG3 -0.12 0.21 -0.17 -0.04 2.34 2.22 1a49H1 ILE 4918 H -0.14 0.28 0.20 -0.55 8.25 8.04 1a49H1 ILE 4918 HA -0.07 0.13 0.93 -0.75 4.18 4.42 1a49H1 ILE 4918 HB -0.11 0.09 0.20 -0.04 1.89 2.04 1a49H1 ILE 4918 HG12 -0.30 0.01 -0.15 -0.04 1.49 1.01 1a49H1 ILE 4918 HG13 -0.27 0.02 -0.11 -0.04 1.21 0.81 1a49H1 ILE 4918 HG23 -0.03 -0.01 -0.12 -0.04 0.93 0.72 1a49H1 ILE 4918 HD13 -0.32 0.00 -0.09 -0.04 0.88 0.43 1a49H1 ARG 4919 H -0.02 0.16 0.20 -0.55 8.46 8.25 1a49H1 ARG 4919 HA 0.01 0.41 1.09 -0.75 4.34 5.10 1a49H1 ARG 4919 HB2 0.09 -0.02 -0.05 -0.04 1.90 1.88 1a49H1 ARG 4919 HB3 0.07 0.07 -0.09 -0.04 1.80 1.81 1a49H1 ARG 4919 HG2 0.00 -0.08 -0.73 -0.04 1.67 0.82 1a49H1 ARG 4919 HG3 0.03 -0.02 -0.23 -0.04 1.67 1.40 1a49H1 ARG 4919 HD2 0.05 0.07 -0.09 -0.04 3.22 3.21 1a49H1 ARG 4919 HD3 0.04 0.04 -0.42 -0.04 3.22 2.83 1a49H1 THR 4920 H 0.07 0.47 0.25 -0.55 8.28 8.52 1a49H1 THR 4920 HA 0.12 0.22 0.82 -0.75 4.39 4.79 1a49H1 THR 4920 HB 0.13 0.03 0.20 -0.04 4.32 4.64 1a49H1 THR 4920 HG23 0.04 0.04 -0.09 -0.04 1.22 1.18 1a49H1 GLY 4921 H 0.43 0.24 0.21 -0.55 8.43 8.76 1a49H1 GLY 4921 HA2 0.25 0.15 0.84 -0.51 4.01 4.75 1a49H1 GLY 4921 HA3 0.24 0.32 0.50 -0.51 4.01 4.56 1a49H1 LEU 4922 H 0.00 0.41 0.35 -0.55 8.37 8.58 1a49H1 LEU 4922 HA 0.06 0.17 1.19 -0.75 4.35 5.02 1a49H1 LEU 4922 HB2 -0.00 -0.07 -0.11 -0.04 1.64 1.42 1a49H1 LEU 4922 HB3 0.02 0.49 -0.02 -0.04 1.64 2.08 1a49H1 LEU 4922 HG -0.02 -0.06 0.06 -0.04 1.64 1.57 1a49H1 LEU 4922 HD13 -0.03 0.02 -0.11 -0.04 0.93 0.77 1a49H1 LEU 4922 HD23 0.02 0.01 -0.22 -0.04 0.89 0.66 1a49H1 ILE 4923 H 0.05 0.23 0.11 -0.55 8.25 8.09 1a49H1 ILE 4923 HA 0.05 0.21 0.48 -0.75 4.18 4.17 1a49H1 ILE 4923 HB 0.04 0.05 0.05 -0.04 1.89 2.00 1a49H1 ILE 4923 HG12 0.06 -0.05 -0.19 -0.04 1.49 1.27 1a49H1 ILE 4923 HG13 0.06 0.09 -0.23 -0.04 1.21 1.08 1a49H1 ILE 4923 HG23 0.04 -0.02 -0.36 -0.04 0.93 0.55 1a49H1 ILE 4923 HD13 0.05 -0.03 -0.30 -0.04 0.88 0.56 1a49H1 LYS 4924 H 0.04 0.50 0.20 -0.55 8.42 8.61 1a49H1 LYS 4924 HA 0.02 0.03 0.40 -0.75 4.32 4.02 1a49H1 LYS 4924 HB2 0.02 0.01 -0.27 -0.04 1.87 1.59 1a49H1 LYS 4924 HB3 0.02 0.00 0.12 -0.04 1.79 1.88 1a49H1 LYS 4924 HG2 0.02 0.01 0.05 -0.04 1.46 1.50 1a49H1 LYS 4924 HG3 0.03 0.05 -0.03 -0.04 1.46 1.46 1a49H1 LYS 4924 HD2 0.03 -0.02 -0.10 -0.04 1.69 1.56 1a49H1 LYS 4924 HD3 0.02 0.01 -0.01 -0.04 1.68 1.67 1a49H1 LYS 4924 HE2 0.02 -0.00 0.01 -0.04 2.99 2.98 1a49H1 LYS 4924 HE3 0.02 -0.04 -0.01 -0.04 2.99 2.92 1a49H1 GLY 4925 H 0.01 0.20 -1.12 -0.55 8.43 6.98 1a49H1 GLY 4925 HA2 -0.02 0.01 0.28 -0.51 4.01 3.77 1a49H1 GLY 4925 HA3 -0.01 0.15 0.89 -0.51 4.01 4.53 1a49H1 SER 4926 H 0.01 0.41 0.12 -0.55 8.46 8.46 1a49H1 SER 4926 HA 0.00 0.21 0.82 -0.75 4.49 4.76 1a49H1 SER 4926 HB2 0.02 0.18 0.15 -0.04 3.95 4.25 1a49H1 SER 4926 HB3 0.02 -0.72 0.17 -0.04 3.93 3.35 1a49H1 GLY 4927 H 0.00 0.20 0.20 -0.55 8.43 8.29 1a49H1 GLY 4927 HA2 0.02 0.19 0.82 -0.51 4.01 4.54 1a49H1 GLY 4927 HA3 0.01 0.06 0.35 -0.51 4.01 3.91 1a49H1 THR 4928 H 0.01 -0.16 -0.01 -0.55 8.28 7.58 1a49H1 THR 4928 HA 0.01 0.26 0.88 -0.75 4.39 4.79 1a49H1 THR 4928 HB 0.00 0.04 0.06 -0.04 4.32 4.38 1a49H1 THR 4928 HG23 -0.00 0.01 -0.10 -0.04 1.22 1.09 1a49H1 ALA 4929 H 0.02 -0.10 -0.03 -0.55 8.40 7.75 1a49H1 ALA 4929 HA 0.04 0.14 0.57 -0.75 4.34 4.33 1a49H1 ALA 4929 HB3 0.03 0.03 0.03 -0.04 1.41 1.46 1a49H1 GLU 4930 H 0.08 0.19 0.20 -0.55 8.60 8.53 1a49H1 GLU 4930 HA 0.09 0.37 0.93 -0.75 4.29 4.93 1a49H1 GLU 4930 HB2 0.23 -0.06 -0.00 -0.04 2.09 2.22 1a49H1 GLU 4930 HB3 0.31 -0.00 -0.15 -0.04 1.99 2.11 1a49H1 GLU 4930 HG2 0.09 -0.01 -0.30 -0.04 2.34 2.08 1a49H1 GLU 4930 HG3 0.07 0.08 -0.29 -0.04 2.34 2.16 1a49H1 VAL 4931 H 0.05 0.48 0.28 -0.55 8.24 8.50 1a49H1 VAL 4931 HA 0.01 0.23 1.03 -0.75 4.13 4.65 1a49H1 VAL 4931 HB -0.03 0.01 -0.11 -0.04 2.12 1.96 1a49H1 VAL 4931 HG13 -0.03 -0.03 0.11 -0.04 0.97 0.98 1a49H1 VAL 4931 HG23 0.02 -0.00 -0.13 -0.04 0.95 0.80 1a49H1 GLU 4932 H -0.16 0.17 0.15 -0.55 8.60 8.21 1a49H1 GLU 4932 HA -0.68 0.21 0.99 -0.75 4.29 4.06 1a49H1 GLU 4932 HB2 -0.41 -0.01 0.05 -0.04 2.09 1.68 1a49H1 GLU 4932 HB3 -0.25 0.00 0.02 -0.04 1.99 1.73 1a49H1 GLU 4932 HG2 -1.15 0.02 -0.13 -0.04 2.34 1.03 1a49H1 GLU 4932 HG3 -0.94 0.01 -0.09 -0.04 2.34 1.28 1a49H1 LEU 4933 H -0.23 0.71 0.32 -0.55 8.37 8.62 1a49H1 LEU 4933 HA -0.08 0.12 0.83 -0.75 4.35 4.47 1a49H1 LEU 4933 HB2 -0.06 0.12 0.21 -0.04 1.64 1.87 1a49H1 LEU 4933 HB3 -0.03 0.01 -0.06 -0.04 1.64 1.52 1a49H1 LEU 4933 HG -0.05 -0.04 -0.14 -0.04 1.64 1.38 1a49H1 LEU 4933 HD13 -0.00 -0.00 -0.16 -0.04 0.93 0.73 1a49H1 LEU 4933 HD23 -0.03 0.03 -0.07 -0.04 0.89 0.78 1a49H1 LYS 4934 H -0.05 0.21 0.16 -0.55 8.42 8.19 1a49H1 LYS 4934 HA -0.05 0.12 0.88 -0.75 4.32 4.53 1a49H1 LYS 4934 HB2 -0.03 0.01 0.06 -0.04 1.87 1.87 1a49H1 LYS 4934 HB3 -0.03 0.07 0.04 -0.04 1.79 1.83 1a49H1 LYS 4934 HG2 -0.05 0.00 -0.08 -0.04 1.46 1.28 1a49H1 LYS 4934 HG3 -0.08 -0.01 -0.21 -0.04 1.46 1.13 1a49H1 LYS 4934 HD2 -0.04 0.01 0.03 -0.04 1.69 1.65 1a49H1 LYS 4934 HD3 -0.02 0.03 0.01 -0.04 1.68 1.66 1a49H1 LYS 4934 HE2 -0.02 0.00 -0.01 -0.04 2.99 2.92 1a49H1 LYS 4934 HE3 -0.04 -0.02 -0.01 -0.04 2.99 2.87 1a49H1 LYS 4935 H -0.01 0.11 0.16 -0.55 8.42 8.12 1a49H1 LYS 4935 HA -0.00 0.11 0.26 -0.75 4.32 3.94 1a49H1 LYS 4935 HB2 0.00 -0.05 0.04 -0.04 1.87 1.82 1a49H1 LYS 4935 HB3 -0.00 -0.06 0.18 -0.04 1.79 1.87 1a49H1 LYS 4935 HG2 0.00 -0.04 -0.20 -0.04 1.46 1.18 1a49H1 LYS 4935 HG3 0.01 0.14 0.13 -0.04 1.46 1.70 1a49H1 LYS 4935 HD2 0.01 -0.08 0.09 -0.04 1.69 1.66 1a49H1 LYS 4935 HD3 0.01 -0.06 0.03 -0.04 1.68 1.61 1a49H1 LYS 4935 HE2 0.01 -0.09 0.07 -0.04 2.99 2.93 1a49H1 LYS 4935 HE3 0.01 0.20 0.21 -0.04 2.99 3.37 1a49H1 GLY 4936 H 0.00 0.77 0.32 -0.55 8.43 8.97 1a49H1 GLY 4936 HA2 0.00 0.02 0.41 -0.51 4.01 3.93 1a49H1 GLY 4936 HA3 0.00 0.01 0.47 -0.51 4.01 3.98 1a49H1 ALA 4937 H -0.01 0.39 -0.64 -0.55 8.40 7.60 1a49H1 ALA 4937 HA -0.01 0.03 0.48 -0.75 4.34 4.08 1a49H1 ALA 4937 HB3 -0.02 -0.00 0.14 -0.04 1.41 1.49 1a49H1 THR 4938 H -0.01 0.14 0.27 -0.55 8.28 8.13 1a49H1 THR 4938 HA 0.00 0.28 1.13 -0.75 4.39 5.05 1a49H1 THR 4938 HB -0.01 -0.07 0.17 -0.04 4.32 4.37 1a49H1 THR 4938 HG23 -0.00 0.03 -0.00 -0.04 1.22 1.21 1a49H1 LEU 4939 H 0.00 0.59 0.24 -0.55 8.37 8.66 1a49H1 LEU 4939 HA -0.01 0.24 0.67 -0.75 4.35 4.49 1a49H1 LEU 4939 HB2 -0.00 0.19 -0.15 -0.04 1.64 1.64 1a49H1 LEU 4939 HB3 0.00 -0.10 -0.22 -0.04 1.64 1.28 1a49H1 LEU 4939 HG 0.01 -0.00 -0.54 -0.04 1.64 1.07 1a49H1 LEU 4939 HD13 0.00 0.01 -0.65 -0.04 0.93 0.25 1a49H1 LEU 4939 HD23 0.01 -0.03 -0.29 -0.04 0.89 0.54 1a49H1 LYS 4940 H -0.02 0.55 0.18 -0.55 8.42 8.57 1a49H1 LYS 4940 HA 0.03 0.27 1.28 -0.75 4.32 5.14 1a49H1 LYS 4940 HB2 -0.04 -0.02 -0.01 -0.04 1.87 1.76 1a49H1 LYS 4940 HB3 -0.07 0.07 0.21 -0.04 1.79 1.96 1a49H1 LYS 4940 HG2 -0.02 0.00 -0.44 -0.04 1.46 0.96 1a49H1 LYS 4940 HG3 -0.01 0.00 -0.08 -0.04 1.46 1.33 1a49H1 LYS 4940 HD2 -0.24 0.01 -0.07 -0.04 1.69 1.36 1a49H1 LYS 4940 HD3 -0.19 -0.02 -0.06 -0.04 1.68 1.37 1a49H1 LYS 4940 HE2 -0.22 -0.07 -0.10 -0.04 2.99 2.57 1a49H1 LYS 4940 HE3 -0.34 -0.01 -0.10 -0.04 2.99 2.50 1a49H1 ILE 4941 H 0.05 0.52 0.27 -0.55 8.25 8.54 1a49H1 ILE 4941 HA 0.01 0.31 0.84 -0.75 4.18 4.58 1a49H1 ILE 4941 HB 0.02 -0.02 0.03 -0.04 1.89 1.88 1a49H1 ILE 4941 HG12 -0.00 -0.03 -0.19 -0.04 1.49 1.23 1a49H1 ILE 4941 HG13 0.01 0.00 -0.24 -0.04 1.21 0.95 1a49H1 ILE 4941 HG23 -0.04 -0.01 -0.25 -0.04 0.93 0.59 1a49H1 ILE 4941 HD13 0.01 0.01 -0.22 -0.04 0.88 0.65 1a49H1 THR 4942 H 0.01 0.77 0.42 -0.55 8.28 8.93 1a49H1 THR 4942 HA 0.10 0.22 1.05 -0.75 4.39 5.00 1a49H1 THR 4942 HB 0.02 0.06 -0.04 -0.04 4.32 4.32 1a49H1 THR 4942 HG23 0.24 -0.09 -0.19 -0.04 1.22 1.13 1a49H1 LEU 4943 H 0.09 0.45 0.29 -0.55 8.37 8.65 1a49H1 LEU 4943 HA -0.20 0.20 0.81 -0.75 4.35 4.40 1a49H1 LEU 4943 HB2 0.03 0.06 0.17 -0.04 1.64 1.86 1a49H1 LEU 4943 HB3 0.00 -0.04 0.12 -0.04 1.64 1.68 1a49H1 LEU 4943 HG -0.07 0.05 -0.21 -0.04 1.64 1.36 1a49H1 LEU 4943 HD13 -0.11 -0.04 0.03 -0.04 0.93 0.76 1a49H1 LEU 4943 HD23 -0.22 0.01 -0.29 -0.04 0.89 0.35 1a49H1 ASP 4944 H 0.24 0.04 -0.09 -0.55 8.40 8.04 1a49H1 ASP 4944 HA 0.24 0.08 0.51 -0.75 4.63 4.70 1a49H1 ASP 4944 HB2 0.23 0.04 0.12 -0.04 2.71 3.05 1a49H1 ASP 4944 HB3 0.46 -0.00 0.13 -0.04 2.70 3.25 1a49H1 ASN 4945 H 0.26 0.27 0.25 -0.55 8.53 8.76 1a49H1 ASN 4945 HA -0.09 0.07 0.33 -0.75 4.76 4.32 1a49H1 ASN 4945 HB2 0.05 0.01 0.08 -0.04 2.88 2.98 1a49H1 ASN 4945 HB3 -0.10 0.02 0.07 -0.04 2.79 2.75 1a49H1 ASN 4945 HD21 0.23 0.03 0.05 -0.04 7.03 7.30 1a49H1 ASN 4945 HD22 0.05 -0.00 0.04 -0.04 7.74 7.79 1a49H1 ALA 4946 H 0.03 0.08 -0.46 -0.55 8.40 7.50 1a49H1 ALA 4946 HA -0.16 0.11 0.41 -0.75 4.34 3.94 1a49H1 ALA 4946 HB3 -0.22 0.02 0.01 -0.04 1.41 1.18 1a49H1 TYR 4947 H 0.07 0.46 -0.44 -0.55 8.29 7.83 1a49H1 TYR 4947 HA -0.03 0.19 0.63 -0.75 4.56 4.59 1a49H1 TYR 4947 HB2 0.20 0.19 -0.02 -0.04 3.06 3.39 1a49H1 TYR 4947 HB3 0.12 -0.05 -0.12 -0.04 2.98 2.90 1a49H1 TYR 4947 HD2 0.05 0.03 -0.03 -0.04 7.15 7.17 1a49H1 TYR 4947 HE2 0.01 0.00 -0.05 -0.04 6.85 6.77 1a49H1 MET 4948 H -0.45 0.25 -0.28 -0.55 8.47 7.44 1a49H1 MET 4948 HA -1.61 -0.02 0.27 -0.75 4.52 2.40 1a49H1 MET 4948 HB2 -0.97 0.04 0.23 -0.04 2.15 1.40 1a49H1 MET 4948 HB3 -0.55 0.04 0.05 -0.04 2.03 1.52 1a49H1 MET 4948 HG2 -0.81 -0.03 -0.09 -0.04 2.63 1.66 1a49H1 MET 4948 HG3 -2.90 -0.02 0.01 -0.04 2.56 -0.40 1a49H1 MET 4948 HE3 -0.32 -0.03 0.07 -0.04 2.10 1.78 1a49H1 GLU 4949 H -0.21 0.18 -0.46 -0.55 8.60 7.56 1a49H1 GLU 4949 HA -0.09 -0.01 1.10 -0.75 4.29 4.54 1a49H1 GLU 4949 HB2 -0.10 0.05 0.03 -0.04 2.09 2.03 1a49H1 GLU 4949 HB3 -0.07 0.00 0.16 -0.04 1.99 2.05 1a49H1 GLU 4949 HG2 -0.15 -0.01 -0.15 -0.04 2.34 1.99 1a49H1 GLU 4949 HG3 -0.20 -0.04 -0.16 -0.04 2.34 1.91 1a49H1 LYS 4950 H 0.02 0.83 -0.17 -0.55 8.42 8.55 1a49H1 LYS 4950 HA 0.03 0.13 0.89 -0.75 4.32 4.63 1a49H1 LYS 4950 HB2 0.16 -0.06 0.20 -0.04 1.87 2.12 1a49H1 LYS 4950 HB3 0.04 0.00 0.09 -0.04 1.79 1.88 1a49H1 LYS 4950 HG2 -0.05 0.09 -0.49 -0.04 1.46 0.97 1a49H1 LYS 4950 HG3 -0.06 -0.10 -0.18 -0.04 1.46 1.09 1a49H1 LYS 4950 HD2 -0.23 0.08 0.04 -0.04 1.69 1.53 1a49H1 LYS 4950 HD3 -0.05 -0.05 -0.01 -0.04 1.68 1.53 1a49H1 LYS 4950 HE2 -0.07 0.00 -0.05 -0.04 2.99 2.83 1a49H1 LYS 4950 HE3 -0.13 0.02 -0.02 -0.04 2.99 2.82 1a49H1 CYS 4951 H 0.07 0.71 0.01 -0.55 8.50 8.75 1a49H1 CYS 4951 HA 0.11 0.17 0.67 -0.75 4.58 4.77 1a49H1 CYS 4951 HB2 0.09 -0.07 -0.30 -0.04 2.97 2.65 1a49H1 CYS 4951 HB3 0.10 0.14 0.09 -0.04 2.97 3.25 1a49H1 ASP 4952 H 0.05 0.94 0.45 -0.55 8.40 9.29 1a49H1 ASP 4952 HA 0.03 0.14 0.63 -0.75 4.63 4.67 1a49H1 ASP 4952 HB2 0.01 -0.15 0.25 -0.04 2.71 2.78 1a49H1 ASP 4952 HB3 0.03 0.14 -0.06 -0.04 2.70 2.77 1a49H1 GLU 4953 H -0.00 0.19 0.15 -0.55 8.60 8.39 1a49H1 GLU 4953 HA -0.01 0.11 0.27 -0.75 4.29 3.90 1a49H1 GLU 4953 HB2 -0.03 0.08 0.15 -0.04 2.09 2.25 1a49H1 GLU 4953 HB3 -0.04 -0.02 0.07 -0.04 1.99 1.96 1a49H1 GLU 4953 HG2 -0.01 0.02 -0.06 -0.04 2.34 2.25 1a49H1 GLU 4953 HG3 -0.02 0.06 0.05 -0.04 2.34 2.39 1a49H1 ASN 4954 H -0.00 -0.13 -0.50 -0.55 8.53 7.34 1a49H1 ASN 4954 HA -0.02 0.37 1.06 -0.75 4.76 5.41 1a49H1 ASN 4954 HB2 -0.02 -0.05 0.03 -0.04 2.88 2.79 1a49H1 ASN 4954 HB3 -0.03 0.03 -0.02 -0.04 2.79 2.72 1a49H1 ASN 4954 HD21 -0.01 0.03 -0.02 -0.04 7.03 7.00 1a49H1 ASN 4954 HD22 -0.00 -0.01 -0.00 -0.04 7.74 7.68 1a49H1 ILE 4955 H -0.01 -0.07 0.01 -0.55 8.25 7.64 1a49H1 ILE 4955 HA -0.05 0.33 1.06 -0.75 4.18 4.77 1a49H1 ILE 4955 HB -0.05 0.04 0.07 -0.04 1.89 1.92 1a49H1 ILE 4955 HG12 -0.08 -0.22 -0.57 -0.04 1.49 0.58 1a49H1 ILE 4955 HG13 -0.16 0.03 -0.08 -0.04 1.21 0.96 1a49H1 ILE 4955 HG23 -0.30 0.00 -0.08 -0.04 0.93 0.52 1a49H1 ILE 4955 HD13 -0.21 0.03 -0.05 -0.04 0.88 0.61 1a49H1 LEU 4956 H 0.01 0.64 0.26 -0.55 8.37 8.74 1a49H1 LEU 4956 HA 0.11 0.01 0.77 -0.75 4.35 4.50 1a49H1 LEU 4956 HB2 0.05 0.12 -0.17 -0.04 1.64 1.59 1a49H1 LEU 4956 HB3 0.03 0.01 -0.15 -0.04 1.64 1.49 1a49H1 LEU 4956 HG 0.04 -0.04 -0.40 -0.04 1.64 1.20 1a49H1 LEU 4956 HD13 0.11 -0.03 0.00 -0.04 0.93 0.97 1a49H1 LEU 4956 HD23 0.04 -0.00 -0.21 -0.04 0.89 0.68 1a49H1 TRP 4957 H 0.30 0.16 0.08 -0.55 7.97 7.96 1a49H1 TRP 4957 HA 0.05 0.30 0.84 -0.75 4.62 5.06 1a49H1 TRP 4957 HB2 0.10 -0.00 -0.30 -0.04 3.23 2.99 1a49H1 TRP 4957 HB3 0.06 -0.06 -0.03 -0.04 3.23 3.16 1a49H1 TRP 4957 HD1 0.12 0.03 -0.46 -0.04 7.22 6.86 1a49H1 TRP 4957 HE1 0.06 -0.01 -0.46 -0.04 10.20 9.75 1a49H1 TRP 4957 HE3 0.04 -0.16 -0.38 -0.04 7.59 7.06 1a49H1 TRP 4957 HZ2 0.04 -0.03 -0.02 -0.04 7.44 7.39 1a49H1 TRP 4957 HZ3 0.03 0.06 -0.26 -0.04 7.13 6.92 1a49H1 TRP 4957 HH2 0.03 -0.02 -0.08 -0.04 7.19 7.08 1a49H1 LEU 4958 H -0.78 0.43 0.21 -0.55 8.37 7.68 1a49H1 LEU 4958 HA -0.44 0.27 0.77 -0.75 4.35 4.19 1a49H1 LEU 4958 HB2 -0.22 -0.20 0.06 -0.04 1.64 1.24 1a49H1 LEU 4958 HB3 -0.12 0.04 -0.19 -0.04 1.64 1.33 1a49H1 LEU 4958 HG -0.24 0.05 -0.14 -0.04 1.64 1.26 1a49H1 LEU 4958 HD13 -0.16 -0.00 -0.21 -0.04 0.93 0.52 1a49H1 LEU 4958 HD23 -0.05 0.01 -0.23 -0.04 0.89 0.58 1a49H1 ASP 4959 H -0.37 0.22 0.20 -0.55 8.40 7.91 1a49H1 ASP 4959 HA -0.74 0.31 0.95 -0.75 4.63 4.39 1a49H1 ASP 4959 HB2 0.05 -0.01 0.21 -0.04 2.71 2.92 1a49H1 ASP 4959 HB3 0.03 0.08 0.03 -0.04 2.70 2.79 1a49H1 TYR 4960 H -0.13 0.11 -0.15 -0.55 8.29 7.57 1a49H1 TYR 4960 HA -0.08 0.15 0.74 -0.75 4.56 4.61 1a49H1 TYR 4960 HB2 -0.09 0.04 0.03 -0.04 3.06 3.00 1a49H1 TYR 4960 HB3 -0.11 0.03 0.12 -0.04 2.98 2.97 1a49H1 TYR 4960 HD2 -0.04 0.08 -0.02 -0.04 7.15 7.12 1a49H1 TYR 4960 HE2 -0.01 0.10 -0.17 -0.04 6.85 6.74 1a49H1 LYS 4961 H -0.07 0.38 0.19 -0.55 8.42 8.37 1a49H1 LYS 4961 HA -0.16 0.10 0.22 -0.75 4.32 3.72 1a49H1 LYS 4961 HB2 -0.07 -0.01 0.12 -0.04 1.87 1.87 1a49H1 LYS 4961 HB3 -0.08 0.04 0.06 -0.04 1.79 1.77 1a49H1 LYS 4961 HG2 0.01 0.09 0.10 -0.04 1.46 1.62 1a49H1 LYS 4961 HG3 0.02 0.01 0.07 -0.04 1.46 1.52 1a49H1 LYS 4961 HD2 -0.02 -0.00 0.06 -0.04 1.69 1.68 1a49H1 LYS 4961 HD3 -0.10 -0.11 -0.20 -0.04 1.68 1.23 1a49H1 LYS 4961 HE2 0.14 -0.02 0.06 -0.04 2.99 3.13 1a49H1 LYS 4961 HE3 0.15 0.02 0.09 -0.04 2.99 3.20 1a49H1 ASN 4962 H -0.86 0.02 -0.45 -0.55 8.53 6.70 1a49H1 ASN 4962 HA -0.29 0.30 0.94 -0.75 4.76 4.95 1a49H1 ASN 4962 HB2 -0.46 -0.04 -0.04 -0.04 2.88 2.30 1a49H1 ASN 4962 HB3 -0.22 0.01 0.10 -0.04 2.79 2.65 1a49H1 ASN 4962 HD21 -0.04 0.05 -0.03 -0.04 7.03 6.97 1a49H1 ASN 4962 HD22 -0.04 0.01 -0.02 -0.04 7.74 7.66 1a49H1 ILE 4963 H -0.71 0.79 -0.24 -0.55 8.25 7.55 1a49H1 ILE 4963 HA -0.06 -0.03 0.20 -0.75 4.18 3.54 1a49H1 ILE 4963 HB 0.17 -0.07 0.06 -0.04 1.89 2.01 1a49H1 ILE 4963 HG12 -0.01 0.06 -0.25 -0.04 1.49 1.26 1a49H1 ILE 4963 HG13 0.12 -0.05 0.01 -0.04 1.21 1.25 1a49H1 ILE 4963 HG23 -0.13 0.07 -0.18 -0.04 0.93 0.65 1a49H1 ILE 4963 HD13 0.05 -0.01 -0.15 -0.04 0.88 0.73 1a49H1 CYS 4964 H -0.20 0.13 -0.65 -0.55 8.50 7.24 1a49H1 CYS 4964 HA -0.10 0.08 0.24 -0.75 4.58 4.05 1a49H1 CYS 4964 HB2 -0.13 0.02 0.02 -0.04 2.97 2.84 1a49H1 CYS 4964 HB3 -0.12 0.09 -0.02 -0.04 2.97 2.88 1a49H1 LYS 4965 H -0.13 0.32 -0.11 -0.55 8.42 7.95 1a49H1 LYS 4965 HA -0.06 0.16 0.69 -0.75 4.32 4.36 1a49H1 LYS 4965 HB2 -0.04 -0.01 -0.03 -0.04 1.87 1.75 1a49H1 LYS 4965 HB3 -0.05 -0.01 0.12 -0.04 1.79 1.81 1a49H1 LYS 4965 HG2 -0.13 0.12 0.18 -0.04 1.46 1.59 1a49H1 LYS 4965 HG3 -0.07 -0.04 0.05 -0.04 1.46 1.36 1a49H1 LYS 4965 HD2 -0.06 0.02 -0.00 -0.04 1.69 1.61 1a49H1 LYS 4965 HD3 -0.09 -0.08 -0.10 -0.04 1.68 1.37 1a49H1 LYS 4965 HE2 -0.11 -0.00 0.07 -0.04 2.99 2.92 1a49H1 LYS 4965 HE3 -0.06 -0.02 0.02 -0.04 2.99 2.88 1a49H1 VAL 4966 H -0.02 0.20 -0.29 -0.55 8.24 7.58 1a49H1 VAL 4966 HA 0.01 0.25 0.99 -0.75 4.13 4.63 1a49H1 VAL 4966 HB 0.06 -0.08 -0.08 -0.04 2.12 1.98 1a49H1 VAL 4966 HG13 0.10 -0.02 -0.13 -0.04 0.97 0.88 1a49H1 VAL 4966 HG23 0.18 -0.01 -0.18 -0.04 0.95 0.90 1a49H1 VAL 4967 H -0.01 0.37 0.02 -0.55 8.24 8.07 1a49H1 VAL 4967 HA -0.02 0.16 0.93 -0.75 4.13 4.45 1a49H1 VAL 4967 HB -0.03 0.01 -0.09 -0.04 2.12 1.97 1a49H1 VAL 4967 HG13 0.01 -0.03 -0.12 -0.04 0.97 0.78 1a49H1 VAL 4967 HG23 -0.03 0.13 -0.11 -0.04 0.95 0.91 1a49H1 ASP 4968 H -0.04 0.14 0.11 -0.55 8.40 8.06 1a49H1 ASP 4968 HA -0.04 0.21 0.84 -0.75 4.63 4.88 1a49H1 ASP 4968 HB2 -0.04 -0.00 -0.04 -0.04 2.71 2.59 1a49H1 ASP 4968 HB3 -0.03 0.01 0.04 -0.04 2.70 2.67 1a49H1 VAL 4969 H -0.04 0.12 0.09 -0.55 8.24 7.87 1a49H1 VAL 4969 HA -0.03 0.06 0.33 -0.75 4.13 3.74 1a49H1 VAL 4969 HB -0.02 -0.03 0.13 -0.04 2.12 2.15 1a49H1 VAL 4969 HG13 -0.01 0.04 -0.09 -0.04 0.97 0.86 1a49H1 VAL 4969 HG23 -0.03 -0.01 -0.16 -0.04 0.95 0.70 1a49H1 GLY 4970 H -0.02 0.71 0.35 -0.55 8.43 8.92 1a49H1 GLY 4970 HA2 -0.01 -0.02 0.37 -0.51 4.01 3.84 1a49H1 GLY 4970 HA3 -0.02 0.10 0.66 -0.51 4.01 4.24 1a49H1 SER 4971 H -0.04 0.51 -0.34 -0.55 8.46 8.05 1a49H1 SER 4971 HA -0.06 0.11 0.69 -0.75 4.49 4.48 1a49H1 SER 4971 HB2 -0.05 -0.06 0.03 -0.04 3.95 3.82 1a49H1 SER 4971 HB3 -0.07 0.04 0.16 -0.04 3.93 4.01 1a49H1 LYS 4972 H -0.13 0.19 0.24 -0.55 8.42 8.17 1a49H1 LYS 4972 HA -0.07 0.25 1.17 -0.75 4.32 4.92 1a49H1 LYS 4972 HB2 -0.49 -0.04 0.02 -0.04 1.87 1.32 1a49H1 LYS 4972 HB3 -0.04 0.14 0.20 -0.04 1.79 2.05 1a49H1 LYS 4972 HG2 -0.06 -0.05 -0.04 -0.04 1.46 1.26 1a49H1 LYS 4972 HG3 -0.06 -0.02 0.04 -0.04 1.46 1.39 1a49H1 LYS 4972 HD2 0.11 -0.05 -0.03 -0.04 1.69 1.68 1a49H1 LYS 4972 HD3 0.04 0.05 -0.06 -0.04 1.68 1.67 1a49H1 LYS 4972 HE2 0.01 0.03 -0.05 -0.04 2.99 2.94 1a49H1 LYS 4972 HE3 0.01 0.04 -0.00 -0.04 2.99 2.99 1a49H1 VAL 4973 H -0.05 0.51 0.25 -0.55 8.24 8.40 1a49H1 VAL 4973 HA -0.10 0.20 0.84 -0.75 4.13 4.31 1a49H1 VAL 4973 HB 0.01 -0.08 -0.00 -0.04 2.12 2.01 1a49H1 VAL 4973 HG13 0.01 -0.01 -0.20 -0.04 0.97 0.73 1a49H1 VAL 4973 HG23 -0.03 0.01 -0.28 -0.04 0.95 0.60 1a49H1 TYR 4974 H 0.01 0.88 0.37 -0.55 8.29 9.00 1a49H1 TYR 4974 HA 0.01 0.35 1.20 -0.75 4.56 5.37 1a49H1 TYR 4974 HB2 0.02 -0.06 0.13 -0.04 3.06 3.11 1a49H1 TYR 4974 HB3 0.01 -0.10 -0.03 -0.04 2.98 2.82 1a49H1 TYR 4974 HD2 0.02 0.05 -0.02 -0.04 7.15 7.16 1a49H1 TYR 4974 HE2 0.03 0.05 -0.02 -0.04 6.85 6.87 1a49H1 VAL 4975 H 0.12 0.86 0.23 -0.55 8.24 8.89 1a49H1 VAL 4975 HA 0.06 0.27 1.00 -0.75 4.13 4.71 1a49H1 VAL 4975 HB 0.05 -0.00 -0.03 -0.04 2.12 2.10 1a49H1 VAL 4975 HG13 0.04 -0.01 -0.14 -0.04 0.97 0.82 1a49H1 VAL 4975 HG23 0.06 0.03 -0.40 -0.04 0.95 0.60 1a49H1 ASP 4976 H 0.04 0.86 0.25 -0.55 8.40 9.01 1a49H1 ASP 4976 HA 0.03 -0.07 0.44 -0.75 4.63 4.27 1a49H1 ASP 4976 HB2 0.04 -0.04 -0.16 -0.04 2.71 2.51 1a49H1 ASP 4976 HB3 0.03 0.13 0.12 -0.04 2.70 2.93 1a49H1 ASP 4977 H 0.02 0.09 0.06 -0.55 8.40 8.03 1a49H1 ASP 4977 HA 0.02 0.02 0.20 -0.75 4.63 4.11 1a49H1 ASP 4977 HB2 0.01 0.07 -0.00 -0.04 2.71 2.75 1a49H1 ASP 4977 HB3 0.01 0.05 0.12 -0.04 2.70 2.84 1a49H1 GLY 4978 H 0.02 -0.04 -0.72 -0.55 8.43 7.15 1a49H1 GLY 4978 HA2 -0.16 -0.03 0.09 -0.51 4.01 3.40 1a49H1 GLY 4978 HA3 -0.16 0.12 0.36 -0.51 4.01 3.81 1a49H1 LEU 4979 H -0.01 0.66 -0.25 -0.55 8.37 8.22 1a49H1 LEU 4979 HA -0.03 0.02 0.29 -0.75 4.35 3.88 1a49H1 LEU 4979 HB2 0.01 -0.07 0.11 -0.04 1.64 1.65 1a49H1 LEU 4979 HB3 0.02 0.02 0.23 -0.04 1.64 1.87 1a49H1 LEU 4979 HG 0.02 0.02 -0.44 -0.04 1.64 1.20 1a49H1 LEU 4979 HD13 0.02 -0.00 0.09 -0.04 0.93 0.99 1a49H1 LEU 4979 HD23 0.06 -0.06 0.01 -0.04 0.89 0.87 1a49H1 ILE 4980 H 0.01 0.57 0.06 -0.55 8.25 8.33 1a49H1 ILE 4980 HA 0.00 0.34 0.68 -0.75 4.18 4.45 1a49H1 ILE 4980 HB 0.03 -0.07 0.02 -0.04 1.89 1.83 1a49H1 ILE 4980 HG12 0.01 -0.06 -0.21 -0.04 1.49 1.19 1a49H1 ILE 4980 HG13 0.01 0.19 -0.53 -0.04 1.21 0.84 1a49H1 ILE 4980 HG23 0.03 -0.00 -0.25 -0.04 0.93 0.67 1a49H1 ILE 4980 HD13 0.03 -0.05 -0.36 -0.04 0.88 0.46 1a49H1 SER 4981 H 0.02 0.58 0.34 -0.55 8.46 8.86 1a49H1 SER 4981 HA 0.32 0.20 0.97 -0.75 4.49 5.22 1a49H1 SER 4981 HB2 -0.04 0.13 0.03 -0.04 3.95 4.03 1a49H1 SER 4981 HB3 0.05 -0.20 0.25 -0.04 3.93 3.99 1a49H1 LEU 4982 H 0.16 0.80 0.37 -0.55 8.37 9.16 1a49H1 LEU 4982 HA 0.05 0.18 1.00 -0.75 4.35 4.82 1a49H1 LEU 4982 HB2 0.04 -0.06 0.01 -0.04 1.64 1.58 1a49H1 LEU 4982 HB3 0.03 -0.03 -0.11 -0.04 1.64 1.49 1a49H1 LEU 4982 HG 0.07 0.04 -0.33 -0.04 1.64 1.38 1a49H1 LEU 4982 HD13 0.03 -0.02 -0.26 -0.04 0.93 0.64 1a49H1 LEU 4982 HD23 0.03 0.06 -0.33 -0.04 0.89 0.61 1a49H1 GLN 4983 H 0.02 0.50 0.27 -0.55 8.47 8.72 1a49H1 GLN 4983 HA 0.00 0.33 1.16 -0.75 4.36 5.09 1a49H1 GLN 4983 HB2 0.02 0.03 -0.02 -0.04 2.15 2.14 1a49H1 GLN 4983 HB3 0.02 0.02 0.10 -0.04 2.02 2.11 1a49H1 GLN 4983 HG2 0.01 -0.08 -0.17 -0.04 2.40 2.11 1a49H1 GLN 4983 HG3 -0.00 0.12 -0.34 -0.04 2.39 2.13 1a49H1 GLN 4983 HE21 0.01 -0.00 -0.01 -0.04 6.97 6.92 1a49H1 GLN 4983 HE22 0.01 -0.04 -0.04 -0.04 7.69 7.58 1a49H1 VAL 4984 H -0.02 0.75 0.15 -0.55 8.24 8.57 1a49H1 VAL 4984 HA 0.00 0.05 0.55 -0.75 4.13 3.97 1a49H1 VAL 4984 HB -0.02 -0.02 0.17 -0.04 2.12 2.20 1a49H1 VAL 4984 HG13 -0.02 -0.01 -0.34 -0.04 0.97 0.55 1a49H1 VAL 4984 HG23 -0.02 0.01 -0.20 -0.04 0.95 0.69 1a49H1 LYS 4985 H 0.01 0.76 0.63 -0.55 8.42 9.27 1a49H1 LYS 4985 HA 0.00 0.10 0.76 -0.75 4.32 4.43 1a49H1 LYS 4985 HB2 0.02 -0.02 -0.01 -0.04 1.87 1.82 1a49H1 LYS 4985 HB3 0.01 -0.03 0.03 -0.04 1.79 1.77 1a49H1 LYS 4985 HG2 0.01 0.14 -0.05 -0.04 1.46 1.52 1a49H1 LYS 4985 HG3 0.01 -0.00 -0.10 -0.04 1.46 1.32 1a49H1 LYS 4985 HD2 0.01 -0.02 0.01 -0.04 1.69 1.65 1a49H1 LYS 4985 HD3 0.00 0.02 -0.09 -0.04 1.68 1.58 1a49H1 LYS 4985 HE2 0.01 -0.01 -0.03 -0.04 2.99 2.92 1a49H1 LYS 4985 HE3 0.01 0.00 -0.02 -0.04 2.99 2.94 1a49H1 GLN 4986 H 0.02 0.49 0.39 -0.55 8.47 8.82 1a49H1 GLN 4986 HA -0.00 0.13 0.66 -0.75 4.36 4.39 1a49H1 GLN 4986 HB2 0.03 0.05 0.20 -0.04 2.15 2.39 1a49H1 GLN 4986 HB3 0.03 -0.01 -0.45 -0.04 2.02 1.55 1a49H1 GLN 4986 HG2 0.14 -0.15 -0.05 -0.04 2.40 2.29 1a49H1 GLN 4986 HG3 0.12 0.13 -0.07 -0.04 2.39 2.54 1a49H1 GLN 4986 HE21 0.05 0.00 -0.04 -0.04 6.97 6.95 1a49H1 GLN 4986 HE22 0.15 -0.01 -0.06 -0.04 7.69 7.72 1a49H1 LYS 4987 H -0.05 0.19 0.18 -0.55 8.42 8.18 1a49H1 LYS 4987 HA -0.19 0.18 1.12 -0.75 4.32 4.67 1a49H1 LYS 4987 HB2 -0.11 -0.04 0.05 -0.04 1.87 1.73 1a49H1 LYS 4987 HB3 -0.20 0.13 0.11 -0.04 1.79 1.80 1a49H1 LYS 4987 HG2 -0.10 -0.02 -0.08 -0.04 1.46 1.23 1a49H1 LYS 4987 HG3 -0.07 -0.10 -0.10 -0.04 1.46 1.14 1a49H1 LYS 4987 HD2 -0.12 0.04 0.08 -0.04 1.69 1.65 1a49H1 LYS 4987 HD3 -0.10 0.02 0.02 -0.04 1.68 1.58 1a49H1 LYS 4987 HE2 -0.06 -0.21 0.08 -0.04 2.99 2.76 1a49H1 LYS 4987 HE3 -0.06 -0.13 0.05 -0.04 2.99 2.80 1a49H1 GLY 4988 H -0.56 0.55 0.30 -0.55 8.43 8.19 1a49H1 GLY 4988 HA2 -0.49 0.16 0.65 -0.51 4.01 3.82 1a49H1 GLY 4988 HA3 -2.34 -0.08 0.23 -0.51 4.01 1.31 1a49H1 PRO 4989 HA -0.13 0.22 0.67 -0.51 4.44 4.69 1a49H1 PRO 4989 HB2 0.01 0.01 0.01 -0.04 2.28 2.27 1a49H1 PRO 4989 HB3 -0.03 0.08 0.10 -0.04 2.02 2.13 1a49H1 PRO 4989 HG2 0.08 0.02 0.09 -0.04 2.03 2.19 1a49H1 PRO 4989 HG3 0.00 0.09 0.06 -0.04 2.03 2.14 1a49H1 PRO 4989 HD2 -0.02 0.11 0.24 -0.04 3.68 3.96 1a49H1 PRO 4989 HD3 -0.13 0.23 0.04 -0.04 3.65 3.75 1a49H1 ASP 4990 H 0.00 0.08 0.01 -0.55 8.40 7.95 1a49H1 ASP 4990 HA -0.03 0.29 0.87 -0.75 4.63 5.01 1a49H1 ASP 4990 HB2 0.08 -0.10 0.16 -0.04 2.71 2.81 1a49H1 ASP 4990 HB3 0.06 0.08 -0.06 -0.04 2.70 2.74 1a49H1 PHE 4991 H -0.41 0.08 -0.24 -0.55 8.34 7.22 1a49H1 PHE 4991 HA -0.04 0.26 0.69 -0.75 4.62 4.78 1a49H1 PHE 4991 HB2 -0.03 0.19 0.20 -0.04 3.15 3.47 1a49H1 PHE 4991 HB3 -0.02 -0.09 -0.28 -0.04 3.06 2.63 1a49H1 PHE 4991 HD2 -0.02 -0.06 -0.21 -0.04 7.28 6.96 1a49H1 PHE 4991 HE2 -0.01 0.03 -0.17 -0.04 7.38 7.19 1a49H1 PHE 4991 HZ -0.01 0.08 -0.09 -0.04 7.32 7.26 1a49H1 LEU 4992 H 0.29 0.59 0.31 -0.55 8.37 9.02 1a49H1 LEU 4992 HA -0.03 0.12 0.61 -0.75 4.35 4.29 1a49H1 LEU 4992 HB2 0.02 -0.10 -0.23 -0.04 1.64 1.29 1a49H1 LEU 4992 HB3 -0.03 0.10 0.07 -0.04 1.64 1.74 1a49H1 LEU 4992 HG -0.04 -0.17 -0.81 -0.04 1.64 0.58 1a49H1 LEU 4992 HD13 -0.03 -0.02 -0.25 -0.04 0.93 0.59 1a49H1 LEU 4992 HD23 -0.11 0.04 -0.06 -0.04 0.89 0.72 1a49H1 VAL 4993 H 0.09 1.02 0.40 -0.55 8.24 9.20 1a49H1 VAL 4993 HA 0.08 0.18 1.02 -0.75 4.13 4.64 1a49H1 VAL 4993 HB 0.08 -0.11 0.21 -0.04 2.12 2.26 1a49H1 VAL 4993 HG13 0.03 0.02 -0.06 -0.04 0.97 0.93 1a49H1 VAL 4993 HG23 0.21 0.00 -0.16 -0.04 0.95 0.96 1a49H1 THR 4994 H 0.03 0.73 0.45 -0.55 8.28 8.93 1a49H1 THR 4994 HA 0.02 0.23 1.23 -0.75 4.39 5.11 1a49H1 THR 4994 HB 0.02 -0.09 -0.12 -0.04 4.32 4.09 1a49H1 THR 4994 HG23 0.01 -0.01 -0.40 -0.04 1.22 0.78 1a49H1 GLU 4995 H 0.01 0.45 0.35 -0.55 8.60 8.87 1a49H1 GLU 4995 HA 0.01 0.33 1.04 -0.75 4.29 4.92 1a49H1 GLU 4995 HB2 0.01 0.00 -0.01 -0.04 2.09 2.05 1a49H1 GLU 4995 HB3 0.01 -0.04 0.12 -0.04 1.99 2.04 1a49H1 GLU 4995 HG2 0.01 -0.05 -0.34 -0.04 2.34 1.92 1a49H1 GLU 4995 HG3 0.01 0.22 -0.05 -0.04 2.34 2.47 1a49H1 VAL 4996 H 0.01 0.66 0.03 -0.55 8.24 8.39 1a49H1 VAL 4996 HA 0.02 0.07 0.58 -0.75 4.13 4.05 1a49H1 VAL 4996 HB -0.00 0.08 -0.09 -0.04 2.12 2.07 1a49H1 VAL 4996 HG13 0.00 -0.04 -0.50 -0.04 0.97 0.39 1a49H1 VAL 4996 HG23 -0.00 -0.01 -0.22 -0.04 0.95 0.68 1a49H1 GLU 4997 H 0.04 0.57 0.34 -0.55 8.60 9.00 1a49H1 GLU 4997 HA 0.02 0.08 0.67 -0.75 4.29 4.31 1a49H1 GLU 4997 HB2 0.06 0.03 -0.06 -0.04 2.09 2.08 1a49H1 GLU 4997 HB3 0.06 -0.07 0.07 -0.04 1.99 2.01 1a49H1 GLU 4997 HG2 0.04 -0.01 -0.05 -0.04 2.34 2.28 1a49H1 GLU 4997 HG3 0.03 0.00 0.01 -0.04 2.34 2.35 1a49H1 ASN 4998 H 0.03 0.27 0.24 -0.55 8.53 8.53 1a49H1 ASN 4998 HA 0.01 0.14 0.97 -0.75 4.76 5.12 1a49H1 ASN 4998 HB2 0.00 -0.02 0.07 -0.04 2.88 2.89 1a49H1 ASN 4998 HB3 -0.02 0.02 0.21 -0.04 2.79 2.97 1a49H1 ASN 4998 HD21 0.00 -0.03 0.09 -0.04 7.03 7.05 1a49H1 ASN 4998 HD22 0.00 0.01 0.16 -0.04 7.74 7.87 1a49H1 GLY 4999 H 0.00 0.09 0.04 -0.55 8.43 8.02 1a49H1 GLY 4999 HA2 -0.01 0.05 0.48 -0.51 4.01 4.01 1a49H1 GLY 4999 HA3 -0.02 0.09 0.34 -0.51 4.01 3.91 1a49H1 GLY 5000 H -0.06 0.48 0.35 -0.55 8.43 8.65 1a49H1 GLY 5000 HA2 0.06 0.02 0.31 -0.51 4.01 3.89 1a49H1 GLY 5000 HA3 0.05 0.18 0.49 -0.51 4.01 4.23 1a49H1 PHE 5001 H 0.30 0.18 0.14 -0.55 8.34 8.41 1a49H1 PHE 5001 HA 0.01 0.22 0.80 -0.75 4.62 4.91 1a49H1 PHE 5001 HB2 0.01 -0.01 0.14 -0.04 3.15 3.24 1a49H1 PHE 5001 HB3 0.01 0.03 -0.12 -0.04 3.06 2.94 1a49H1 PHE 5001 HD2 0.01 -0.01 -0.13 -0.04 7.28 7.10 1a49H1 PHE 5001 HE2 0.01 0.02 -0.10 -0.04 7.38 7.27 1a49H1 PHE 5001 HZ 0.00 0.01 -0.06 -0.04 7.32 7.23 1a49H1 LEU 5002 H -0.00 0.59 0.36 -0.55 8.37 8.77 1a49H1 LEU 5002 HA 0.07 0.19 1.00 -0.75 4.35 4.85 1a49H1 LEU 5002 HB2 0.03 0.01 -0.12 -0.04 1.64 1.52 1a49H1 LEU 5002 HB3 0.01 -0.01 0.03 -0.04 1.64 1.62 1a49H1 LEU 5002 HG 0.05 0.19 -0.35 -0.04 1.64 1.49 1a49H1 LEU 5002 HD13 0.05 -0.06 -0.05 -0.04 0.93 0.83 1a49H1 LEU 5002 HD23 0.04 -0.03 -0.15 -0.04 0.89 0.72 1a49H1 GLY 5003 H 0.06 0.09 0.08 -0.55 8.43 8.12 1a49H1 GLY 5003 HA2 0.07 0.34 0.95 -0.51 4.01 4.85 1a49H1 GLY 5003 HA3 0.06 0.03 0.30 -0.51 4.01 3.89 1a49H1 SER 5004 H 0.05 0.23 0.08 -0.55 8.46 8.27 1a49H1 SER 5004 HA 0.07 0.18 0.77 -0.75 4.49 4.76 1a49H1 SER 5004 HB2 0.04 0.07 0.05 -0.04 3.95 4.06 1a49H1 SER 5004 HB3 0.05 0.03 -0.03 -0.04 3.93 3.94 1a49H1 LYS 5005 H 0.10 0.68 0.09 -0.55 8.42 8.74 1a49H1 LYS 5005 HA 0.12 0.40 0.36 -0.75 4.32 4.44 1a49H1 LYS 5005 HB2 0.06 0.02 -0.49 -0.04 1.87 1.42 1a49H1 LYS 5005 HB3 0.06 -0.07 0.34 -0.04 1.79 2.09 1a49H1 LYS 5005 HG2 0.10 -0.05 0.07 -0.04 1.46 1.54 1a49H1 LYS 5005 HG3 0.12 0.11 0.09 -0.04 1.46 1.74 1a49H1 LYS 5005 HD2 0.05 -0.02 -0.11 -0.04 1.69 1.56 1a49H1 LYS 5005 HD3 0.05 -0.03 -0.01 -0.04 1.68 1.65 1a49H1 LYS 5005 HE2 0.08 0.00 -0.00 -0.04 2.99 3.02 1a49H1 LYS 5005 HE3 0.04 -0.03 -0.04 -0.04 2.99 2.92 1a49H1 LYS 5006 H 0.07 0.07 -0.16 -0.55 8.42 7.85 1a49H1 LYS 5006 HA 0.04 0.28 0.95 -0.75 4.32 4.84 1a49H1 LYS 5006 HB2 0.05 -0.01 -0.03 -0.04 1.87 1.83 1a49H1 LYS 5006 HB3 0.04 -0.12 0.14 -0.04 1.79 1.81 1a49H1 LYS 5006 HG2 0.05 0.06 -0.56 -0.04 1.46 0.97 1a49H1 LYS 5006 HG3 0.05 -0.07 -0.08 -0.04 1.46 1.31 1a49H1 LYS 5006 HD2 0.04 -0.07 0.01 -0.04 1.69 1.63 1a49H1 LYS 5006 HD3 0.04 0.33 -0.30 -0.04 1.68 1.71 1a49H1 LYS 5006 HE2 0.05 -0.18 -0.05 -0.04 2.99 2.77 1a49H1 LYS 5006 HE3 0.04 0.02 -0.02 -0.04 2.99 2.99 1a49H1 GLY 5007 H 0.03 0.07 0.21 -0.55 8.43 8.20 1a49H1 GLY 5007 HA2 -0.00 0.30 0.67 -0.51 4.01 4.47 1a49H1 GLY 5007 HA3 0.00 -0.01 0.37 -0.51 4.01 3.86 1a49H1 VAL 5008 H -0.03 0.57 0.40 -0.55 8.24 8.62 1a49H1 VAL 5008 HA 0.03 0.37 1.12 -0.75 4.13 4.88 1a49H1 VAL 5008 HB -0.04 -0.11 -0.02 -0.04 2.12 1.91 1a49H1 VAL 5008 HG13 0.00 0.01 -0.16 -0.04 0.97 0.78 1a49H1 VAL 5008 HG23 -0.00 0.02 -0.29 -0.04 0.95 0.64 1a49H1 ASN 5009 H 0.07 0.79 0.33 -0.55 8.53 9.17 1a49H1 ASN 5009 HA -0.00 0.10 0.88 -0.75 4.76 4.98 1a49H1 ASN 5009 HB2 0.21 -0.00 -0.01 -0.04 2.88 3.03 1a49H1 ASN 5009 HB3 0.12 0.05 -0.15 -0.04 2.79 2.77 1a49H1 ASN 5009 HD21 -0.00 -0.02 -0.08 -0.04 7.03 6.88 1a49H1 ASN 5009 HD22 0.06 0.01 -0.03 -0.04 7.74 7.74 1a49H1 LEU 5010 H 0.01 0.14 0.02 -0.55 8.37 8.00 1a49H1 LEU 5010 HA -0.09 0.32 0.87 -0.75 4.35 4.70 1a49H1 LEU 5010 HB2 -0.00 -0.06 0.12 -0.04 1.64 1.66 1a49H1 LEU 5010 HB3 -0.01 0.01 0.07 -0.04 1.64 1.67 1a49H1 LEU 5010 HG 0.02 0.08 -0.08 -0.04 1.64 1.61 1a49H1 LEU 5010 HD13 -0.02 0.00 -0.31 -0.04 0.93 0.56 1a49H1 LEU 5010 HD23 0.01 -0.02 -0.11 -0.04 0.89 0.73 1a49H1 PRO 5011 HA 0.10 -0.09 0.54 -0.51 4.44 4.48 1a49H1 PRO 5011 HB2 -0.14 -0.02 0.11 -0.04 2.28 2.19 1a49H1 PRO 5011 HB3 0.06 0.39 0.21 -0.04 2.02 2.63 1a49H1 PRO 5011 HG2 -0.62 -0.01 0.06 -0.04 2.03 1.42 1a49H1 PRO 5011 HG3 -1.20 0.11 0.01 -0.04 2.03 0.91 1a49H1 PRO 5011 HD2 -0.31 0.29 0.30 -0.04 3.68 3.91 1a49H1 PRO 5011 HD3 -0.21 0.02 -0.43 -0.04 3.65 3.00 1a49H1 GLY 5012 H 0.07 0.01 0.31 -0.55 8.43 8.27 1a49H1 GLY 5012 HA2 -0.35 -0.08 0.36 -0.51 4.01 3.43 1a49H1 GLY 5012 HA3 -0.30 0.16 0.49 -0.51 4.01 3.85 1a49H1 ALA 5013 H -0.03 0.44 -0.25 -0.55 8.40 8.01 1a49H1 ALA 5013 HA -0.03 0.18 0.57 -0.75 4.34 4.31 1a49H1 ALA 5013 HB3 0.01 0.00 -0.11 -0.04 1.41 1.27 1a49H1 ALA 5014 H -0.00 0.28 0.10 -0.55 8.40 8.23 1a49H1 ALA 5014 HA -0.02 0.06 0.70 -0.75 4.34 4.33 1a49H1 ALA 5014 HB3 -0.01 0.03 0.11 -0.04 1.41 1.50 1a49H1 VAL 5015 H 0.00 0.23 0.03 -0.55 8.24 7.94 1a49H1 VAL 5015 HA 0.10 0.01 0.47 -0.75 4.13 3.96 1a49H1 VAL 5015 HB 0.09 0.06 0.09 -0.04 2.12 2.32 1a49H1 VAL 5015 HG13 -0.09 -0.01 -0.17 -0.04 0.97 0.67 1a49H1 VAL 5015 HG23 -0.05 0.01 -0.08 -0.04 0.95 0.80 1a49H1 ASP 5016 H 0.24 0.09 0.11 -0.55 8.40 8.30 1a49H1 ASP 5016 HA 0.08 0.11 0.30 -0.75 4.63 4.37 1a49H1 ASP 5016 HB2 0.28 -0.00 0.03 -0.04 2.71 2.98 1a49H1 ASP 5016 HB3 0.34 -0.07 -0.27 -0.04 2.70 2.66 1a49H1 LEU 5017 H 0.06 -0.09 -0.45 -0.55 8.37 7.35 1a49H1 LEU 5017 HA 0.10 -0.02 0.39 -0.75 4.35 4.07 1a49H1 LEU 5017 HB2 0.15 0.05 -0.08 -0.04 1.64 1.72 1a49H1 LEU 5017 HB3 0.06 0.03 -0.03 -0.04 1.64 1.66 1a49H1 LEU 5017 HG -0.21 -0.14 -0.05 -0.04 1.64 1.20 1a49H1 LEU 5017 HD13 -0.16 -0.01 -0.17 -0.04 0.93 0.55 1a49H1 LEU 5017 HD23 -0.02 -0.01 -0.04 -0.04 0.89 0.78 1a49H1 PRO 5018 HA 0.04 0.15 0.37 -0.51 4.44 4.49 1a49H1 PRO 5018 HB2 0.04 0.12 -0.07 -0.04 2.28 2.33 1a49H1 PRO 5018 HB3 0.04 0.02 0.15 -0.04 2.02 2.18 1a49H1 PRO 5018 HG2 0.05 -0.02 0.04 -0.04 2.03 2.06 1a49H1 PRO 5018 HG3 0.05 0.06 0.07 -0.04 2.03 2.17 1a49H1 PRO 5018 HD2 0.06 0.01 0.17 -0.04 3.68 3.88 1a49H1 PRO 5018 HD3 0.08 0.19 0.15 -0.04 3.65 4.03 1a49H1 ALA 5019 H 0.03 0.11 0.15 -0.55 8.40 8.14 1a49H1 ALA 5019 HA 0.03 0.15 0.51 -0.75 4.34 4.27 1a49H1 ALA 5019 HB3 0.01 0.00 0.13 -0.04 1.41 1.52 1a49H1 VAL 5020 H 0.04 0.08 -0.01 -0.55 8.24 7.79 1a49H1 VAL 5020 HA 0.04 0.12 0.78 -0.75 4.13 4.32 1a49H1 VAL 5020 HB 0.03 -0.02 0.01 -0.04 2.12 2.09 1a49H1 VAL 5020 HG13 0.03 0.02 -0.26 -0.04 0.97 0.71 1a49H1 VAL 5020 HG23 0.02 0.01 -0.20 -0.04 0.95 0.74 1a49H1 SER 5021 H 0.04 0.05 -0.02 -0.55 8.46 7.97 1a49H1 SER 5021 HA 0.03 0.19 0.49 -0.75 4.49 4.44 1a49H1 SER 5021 HB2 0.02 0.04 0.11 -0.04 3.95 4.09 1a49H1 SER 5021 HB3 0.02 0.14 -0.19 -0.04 3.93 3.86 1a49H1 GLU 5022 H 0.03 0.18 0.15 -0.55 8.60 8.41 1a49H1 GLU 5022 HA 0.03 0.21 0.52 -0.75 4.29 4.29 1a49H1 GLU 5022 HB2 0.03 -0.02 0.14 -0.04 2.09 2.19 1a49H1 GLU 5022 HB3 0.03 0.05 0.03 -0.04 1.99 2.05 1a49H1 GLU 5022 HG2 0.03 -0.02 0.04 -0.04 2.34 2.35 1a49H1 GLU 5022 HG3 0.03 0.04 0.04 -0.04 2.34 2.42 1a49H1 LYS 5023 H 0.03 0.10 -0.04 -0.55 8.42 7.95 1a49H1 LYS 5023 HA 0.02 0.12 0.41 -0.75 4.32 4.13 1a49H1 LYS 5023 HB2 0.02 0.06 0.11 -0.04 1.87 2.02 1a49H1 LYS 5023 HB3 0.03 -0.05 0.09 -0.04 1.79 1.82 1a49H1 LYS 5023 HG2 0.09 -0.04 -0.24 -0.04 1.46 1.23 1a49H1 LYS 5023 HG3 0.02 0.00 0.04 -0.04 1.46 1.48 1a49H1 LYS 5023 HD2 0.01 0.00 0.00 -0.04 1.69 1.67 1a49H1 LYS 5023 HD3 0.04 -0.01 -0.01 -0.04 1.68 1.66 1a49H1 LYS 5023 HE2 0.03 0.02 -0.05 -0.04 2.99 2.95 1a49H1 LYS 5023 HE3 0.07 0.17 -0.00 -0.04 2.99 3.19 1a49H1 ASP 5024 H 0.04 0.02 -0.38 -0.55 8.40 7.53 1a49H1 ASP 5024 HA 0.03 0.00 0.20 -0.75 4.63 4.11 1a49H1 ASP 5024 HB2 0.03 0.15 -0.02 -0.04 2.71 2.83 1a49H1 ASP 5024 HB3 0.01 0.09 0.02 -0.04 2.70 2.79 1a49H1 ILE 5025 H 0.04 0.29 -0.82 -0.55 8.25 7.21 1a49H1 ILE 5025 HA 0.03 0.09 0.56 -0.75 4.18 4.11 1a49H1 ILE 5025 HB 0.04 0.14 0.16 -0.04 1.89 2.18 1a49H1 ILE 5025 HG12 0.03 -0.06 -0.11 -0.04 1.49 1.31 1a49H1 ILE 5025 HG13 0.03 0.25 0.00 -0.04 1.21 1.46 1a49H1 ILE 5025 HG23 0.04 0.00 -0.08 -0.04 0.93 0.84 1a49H1 ILE 5025 HD13 0.03 -0.00 -0.03 -0.04 0.88 0.83 1a49H1 GLN 5026 H 0.06 0.40 0.07 -0.55 8.47 8.46 1a49H1 GLN 5026 HA 0.11 0.08 0.48 -0.75 4.36 4.28 1a49H1 GLN 5026 HB2 0.08 0.04 0.12 -0.04 2.15 2.35 1a49H1 GLN 5026 HB3 0.14 -0.02 0.06 -0.04 2.02 2.16 1a49H1 GLN 5026 HG2 0.04 0.12 0.11 -0.04 2.40 2.63 1a49H1 GLN 5026 HG3 0.02 -0.03 0.03 -0.04 2.39 2.37 1a49H1 GLN 5026 HE21 0.07 0.04 -0.01 -0.04 6.97 7.02 1a49H1 GLN 5026 HE22 0.10 -0.02 0.03 -0.04 7.69 7.76 1a49H1 ASP 5027 H 0.12 0.51 -0.22 -0.55 8.40 8.26 1a49H1 ASP 5027 HA 0.23 0.03 0.35 -0.75 4.63 4.48 1a49H1 ASP 5027 HB2 -0.00 -0.02 0.03 -0.04 2.71 2.68 1a49H1 ASP 5027 HB3 -0.32 0.01 -0.06 -0.04 2.70 2.28 1a49H1 LEU 5028 H 0.00 0.58 -0.16 -0.55 8.37 8.24 1a49H1 LEU 5028 HA -0.08 -0.01 0.37 -0.75 4.35 3.88 1a49H1 LEU 5028 HB2 0.00 0.08 0.09 -0.04 1.64 1.77 1a49H1 LEU 5028 HB3 -0.02 0.03 -0.03 -0.04 1.64 1.58 1a49H1 LEU 5028 HG -0.05 -0.08 0.04 -0.04 1.64 1.51 1a49H1 LEU 5028 HD13 -0.00 0.00 -0.04 -0.04 0.93 0.85 1a49H1 LEU 5028 HD23 -0.05 -0.00 -0.06 -0.04 0.89 0.73 1a49H1 LYS 5029 H 0.06 0.50 -0.27 -0.55 8.42 8.16 1a49H1 LYS 5029 HA 0.03 0.07 0.33 -0.75 4.32 4.00 1a49H1 LYS 5029 HB2 0.05 0.01 0.07 -0.04 1.87 1.95 1a49H1 LYS 5029 HB3 0.08 0.09 0.19 -0.04 1.79 2.11 1a49H1 LYS 5029 HG2 0.13 0.00 -0.16 -0.04 1.46 1.39 1a49H1 LYS 5029 HG3 0.07 -0.02 -0.08 -0.04 1.46 1.39 1a49H1 LYS 5029 HD2 0.05 0.02 -0.01 -0.04 1.69 1.71 1a49H1 LYS 5029 HD3 0.08 -0.05 -0.01 -0.04 1.68 1.65 1a49H1 LYS 5029 HE2 0.08 -0.03 -0.03 -0.04 2.99 2.97 1a49H1 LYS 5029 HE3 0.06 0.02 -0.03 -0.04 2.99 3.00 1a49H1 PHE 5030 H 0.22 0.63 -0.15 -0.55 8.34 8.50 1a49H1 PHE 5030 HA -0.03 0.02 0.52 -0.75 4.62 4.38 1a49H1 PHE 5030 HB2 -0.05 -0.02 0.10 -0.04 3.15 3.13 1a49H1 PHE 5030 HB3 -0.16 0.15 0.20 -0.04 3.06 3.22 1a49H1 PHE 5030 HD2 -0.08 0.04 -0.06 -0.04 7.28 7.13 1a49H1 PHE 5030 HE2 0.13 -0.01 -0.11 -0.04 7.38 7.35 1a49H1 PHE 5030 HZ 0.04 0.03 -0.03 -0.04 7.32 7.32 1a49H1 GLY 5031 H 0.01 0.61 -0.11 -0.55 8.43 8.39 1a49H1 GLY 5031 HA2 -0.18 -0.01 0.26 -0.51 4.01 3.57 1a49H1 GLY 5031 HA3 -0.13 0.03 0.26 -0.51 4.01 3.66 1a49H1 VAL 5032 H -0.06 0.52 -0.22 -0.55 8.24 7.93 1a49H1 VAL 5032 HA -0.06 0.05 0.38 -0.75 4.13 3.75 1a49H1 VAL 5032 HB -0.02 0.12 0.11 -0.04 2.12 2.29 1a49H1 VAL 5032 HG13 -0.02 -0.00 -0.17 -0.04 0.97 0.74 1a49H1 VAL 5032 HG23 -0.02 0.03 0.01 -0.04 0.95 0.92 1a49H1 GLU 5033 H -0.10 0.27 -0.31 -0.55 8.60 7.92 1a49H1 GLU 5033 HA -0.08 0.00 0.40 -0.75 4.29 3.86 1a49H1 GLU 5033 HB2 -0.19 0.09 0.30 -0.04 2.09 2.25 1a49H1 GLU 5033 HB3 -0.23 -0.06 -0.05 -0.04 1.99 1.61 1a49H1 GLU 5033 HG2 -0.03 -0.04 0.05 -0.04 2.34 2.27 1a49H1 GLU 5033 HG3 -0.02 0.02 0.07 -0.04 2.34 2.37 1a49H1 GLN 5034 H -0.32 0.55 -0.16 -0.55 8.47 8.00 1a49H1 GLN 5034 HA -0.20 0.03 0.51 -0.75 4.36 3.95 1a49H1 GLN 5034 HB2 -0.28 -0.00 0.02 -0.04 2.15 1.84 1a49H1 GLN 5034 HB3 -0.18 -0.05 0.03 -0.04 2.02 1.78 1a49H1 GLN 5034 HG2 -1.06 0.11 -0.05 -0.04 2.40 1.36 1a49H1 GLN 5034 HG3 -0.93 -0.12 -0.12 -0.04 2.39 1.17 1a49H1 GLN 5034 HE21 -0.14 -0.02 -0.04 -0.04 6.97 6.72 1a49H1 GLN 5034 HE22 -0.59 -0.04 -0.08 -0.04 7.69 6.94 1a49H1 ASP 5035 H -0.11 0.26 -0.69 -0.55 8.40 7.31 1a49H1 ASP 5035 HA -0.05 0.05 0.34 -0.75 4.63 4.22 1a49H1 ASP 5035 HB2 -0.05 0.01 -0.15 -0.04 2.71 2.49 1a49H1 ASP 5035 HB3 -0.04 0.13 -0.06 -0.04 2.70 2.69 1a49H1 VAL 5036 H -0.08 0.29 -0.10 -0.55 8.24 7.80 1a49H1 VAL 5036 HA -0.04 0.08 0.47 -0.75 4.13 3.87 1a49H1 VAL 5036 HB -0.10 0.05 0.05 -0.04 2.12 2.08 1a49H1 VAL 5036 HG13 -0.10 0.03 -0.09 -0.04 0.97 0.77 1a49H1 VAL 5036 HG23 -0.09 -0.01 -0.24 -0.04 0.95 0.57 1a49H1 ASP 5037 H -0.04 0.68 0.39 -0.55 8.40 8.88 1a49H1 ASP 5037 HA 0.01 0.24 0.86 -0.75 4.63 4.99 1a49H1 ASP 5037 HB2 0.02 -0.02 -0.02 -0.04 2.71 2.65 1a49H1 ASP 5037 HB3 0.05 0.02 -0.01 -0.04 2.70 2.73 1a49H1 MET 5038 H -0.08 0.29 0.27 -0.55 8.47 8.41 1a49H1 MET 5038 HA -0.00 0.18 0.67 -0.75 4.52 4.62 1a49H1 MET 5038 HB2 0.09 0.05 -0.05 -0.04 2.15 2.20 1a49H1 MET 5038 HB3 0.06 0.11 -0.11 -0.04 2.03 2.05 1a49H1 MET 5038 HG2 -0.07 -0.04 -0.12 -0.04 2.63 2.36 1a49H1 MET 5038 HG3 -0.27 -0.17 -0.29 -0.04 2.56 1.79 1a49H1 MET 5038 HE3 0.09 0.03 -0.21 -0.04 2.10 1.97 1a49H1 VAL 5039 H 0.01 0.89 0.33 -0.55 8.24 8.91 1a49H1 VAL 5039 HA -0.18 0.11 1.14 -0.75 4.13 4.44 1a49H1 VAL 5039 HB 0.00 0.02 0.03 -0.04 2.12 2.13 1a49H1 VAL 5039 HG13 -0.04 -0.03 -0.25 -0.04 0.97 0.61 1a49H1 VAL 5039 HG23 -0.06 0.01 -0.22 -0.04 0.95 0.64 1a49H1 PHE 5040 H -0.13 0.87 0.29 -0.55 8.34 8.82 1a49H1 PHE 5040 HA -0.01 0.29 0.91 -0.75 4.62 5.05 1a49H1 PHE 5040 HB2 0.00 -0.14 0.14 -0.04 3.15 3.11 1a49H1 PHE 5040 HB3 0.00 -0.02 -0.09 -0.04 3.06 2.92 1a49H1 PHE 5040 HD2 0.00 0.02 -0.36 -0.04 7.28 6.90 1a49H1 PHE 5040 HE2 0.00 0.04 -0.29 -0.04 7.38 7.10 1a49H1 PHE 5040 HZ 0.00 0.09 -0.27 -0.04 7.32 7.10 1a49H1 ALA 5041 H 0.11 0.69 0.22 -0.55 8.40 8.87 1a49H1 ALA 5041 HA 0.05 -0.05 0.62 -0.75 4.34 4.20 1a49H1 ALA 5041 HB3 0.03 0.03 0.03 -0.04 1.41 1.46 1a49H1 SER 5042 H 0.07 0.06 0.14 -0.55 8.46 8.19 1a49H1 SER 5042 HA 0.09 0.01 0.42 -0.75 4.49 4.26 1a49H1 SER 5042 HB2 0.07 -0.12 -0.22 -0.04 3.95 3.64 1a49H1 SER 5042 HB3 0.09 0.01 -0.07 -0.04 3.93 3.92 1a49H1 PHE 5043 H 0.19 0.06 0.12 -0.55 8.34 8.16 1a49H1 PHE 5043 HA -0.00 -0.06 0.27 -0.75 4.62 4.07 1a49H1 PHE 5043 HB2 -0.01 -0.03 -0.20 -0.04 3.15 2.88 1a49H1 PHE 5043 HB3 -0.01 0.18 0.03 -0.04 3.06 3.22 1a49H1 PHE 5043 HD2 -0.02 0.02 -0.02 -0.04 7.28 7.22 1a49H1 PHE 5043 HE2 -0.05 -0.03 -0.06 -0.04 7.38 7.20 1a49H1 PHE 5043 HZ -0.06 -0.05 -0.01 -0.04 7.32 7.16 1a49H1 ILE 5044 H 0.01 0.35 -0.02 -0.55 8.25 8.04 1a49H1 ILE 5044 HA -0.08 0.00 0.58 -0.75 4.18 3.93 1a49H1 ILE 5044 HB -0.03 0.12 0.07 -0.04 1.89 2.01 1a49H1 ILE 5044 HG12 0.01 0.14 -0.23 -0.04 1.49 1.38 1a49H1 ILE 5044 HG13 -0.01 -0.04 -0.00 -0.04 1.21 1.12 1a49H1 ILE 5044 HG23 -0.08 -0.01 -0.14 -0.04 0.93 0.66 1a49H1 ILE 5044 HD13 -0.02 -0.01 -0.15 -0.04 0.88 0.66 1a49H1 ARG 5045 H -0.15 0.10 0.24 -0.55 8.46 8.10 1a49H1 ARG 5045 HA -0.18 0.09 0.85 -0.75 4.34 4.34 1a49H1 ARG 5045 HB2 -0.21 0.06 0.07 -0.04 1.90 1.79 1a49H1 ARG 5045 HB3 -0.16 -0.00 -0.08 -0.04 1.80 1.52 1a49H1 ARG 5045 HG2 -0.32 -0.12 0.00 -0.04 1.67 1.19 1a49H1 ARG 5045 HG3 -0.61 -0.02 -0.24 -0.04 1.67 0.76 1a49H1 ARG 5045 HD2 -0.26 0.10 0.01 -0.04 3.22 3.03 1a49H1 ARG 5045 HD3 -1.05 -0.10 -0.02 -0.04 3.22 2.01 1a49H1 LYS 5046 H -0.11 0.16 0.16 -0.55 8.42 8.08 1a49H1 LYS 5046 HA -0.09 0.23 0.43 -0.75 4.32 4.13 1a49H1 LYS 5046 HB2 -0.07 -0.03 0.12 -0.04 1.87 1.85 1a49H1 LYS 5046 HB3 -0.07 0.26 -0.18 -0.04 1.79 1.76 1a49H1 LYS 5046 HG2 -0.08 -0.17 -0.06 -0.04 1.46 1.11 1a49H1 LYS 5046 HG3 -0.06 -0.09 -0.10 -0.04 1.46 1.17 1a49H1 LYS 5046 HD2 -0.04 0.05 -0.09 -0.04 1.69 1.57 1a49H1 LYS 5046 HD3 -0.06 0.10 -0.21 -0.04 1.68 1.47 1a49H1 LYS 5046 HE2 -0.06 -0.14 -0.07 -0.04 2.99 2.67 1a49H1 LYS 5046 HE3 -0.03 0.05 -0.10 -0.04 2.99 2.88 1a49H1 ALA 5047 H -0.11 0.24 0.06 -0.55 8.40 8.05 1a49H1 ALA 5047 HA -0.26 0.14 0.40 -0.75 4.34 3.87 1a49H1 ALA 5047 HB3 -0.18 0.06 -0.00 -0.04 1.41 1.25 1a49H1 ALA 5048 H -0.10 0.11 -0.15 -0.55 8.40 7.72 1a49H1 ALA 5048 HA 0.03 0.13 0.40 -0.75 4.34 4.15 1a49H1 ALA 5048 HB3 0.01 0.03 0.01 -0.04 1.41 1.41 1a49H1 ASP 5049 H -0.10 0.15 -0.41 -0.55 8.40 7.50 1a49H1 ASP 5049 HA -0.03 0.00 0.43 -0.75 4.63 4.28 1a49H1 ASP 5049 HB2 -0.09 0.32 0.27 -0.04 2.71 3.16 1a49H1 ASP 5049 HB3 -0.05 0.08 0.09 -0.04 2.70 2.78 1a49H1 VAL 5050 H -0.16 0.27 -0.13 -0.55 8.24 7.66 1a49H1 VAL 5050 HA -0.05 -0.01 0.31 -0.75 4.13 3.62 1a49H1 VAL 5050 HB -0.30 0.15 0.14 -0.04 2.12 2.07 1a49H1 VAL 5050 HG13 -0.04 0.02 -0.20 -0.04 0.97 0.71 1a49H1 VAL 5050 HG23 -0.13 0.02 0.01 -0.04 0.95 0.82 1a49H1 HIS 5051 H -0.35 0.55 -0.06 -0.55 8.41 8.00 1a49H1 HIS 5051 HA -0.01 0.09 0.40 -0.75 4.63 4.35 1a49H1 HIS 5051 HB2 -0.01 0.05 0.10 -0.04 3.26 3.36 1a49H1 HIS 5051 HB3 -0.01 -0.03 -0.02 -0.04 3.20 3.11 1a49H1 HIS 5051 HD2 -0.01 0.05 -0.02 -0.04 6.97 6.94 1a49H1 HIS 5051 HE1 -0.02 -0.05 -0.09 -0.04 7.75 7.54 1a49H1 GLU 5052 H 0.04 0.50 -0.40 -0.55 8.60 8.20 1a49H1 GLU 5052 HA 0.05 0.01 0.45 -0.75 4.29 4.05 1a49H1 GLU 5052 HB2 0.01 0.21 0.32 -0.04 2.09 2.58 1a49H1 GLU 5052 HB3 0.02 -0.11 0.07 -0.04 1.99 1.93 1a49H1 GLU 5052 HG2 0.03 0.07 -0.00 -0.04 2.34 2.39 1a49H1 GLU 5052 HG3 0.02 -0.16 0.04 -0.04 2.34 2.21 1a49H1 VAL 5053 H 0.01 0.61 -0.02 -0.55 8.24 8.29 1a49H1 VAL 5053 HA 0.02 -0.08 0.21 -0.75 4.13 3.53 1a49H1 VAL 5053 HB 0.01 0.20 0.19 -0.04 2.12 2.48 1a49H1 VAL 5053 HG13 0.01 -0.01 -0.16 -0.04 0.97 0.77 1a49H1 VAL 5053 HG23 0.01 0.03 -0.02 -0.04 0.95 0.92 1a49H1 ARG 5054 H 0.04 0.76 -0.13 -0.55 8.46 8.57 1a49H1 ARG 5054 HA 0.03 0.02 0.26 -0.75 4.34 3.89 1a49H1 ARG 5054 HB2 0.06 0.05 0.08 -0.04 1.90 2.04 1a49H1 ARG 5054 HB3 0.08 0.06 0.11 -0.04 1.80 2.01 1a49H1 ARG 5054 HG2 0.05 -0.04 -0.04 -0.04 1.67 1.60 1a49H1 ARG 5054 HG3 0.03 -0.04 -0.14 -0.04 1.67 1.48 1a49H1 ARG 5054 HD2 0.03 0.01 0.00 -0.04 3.22 3.22 1a49H1 ARG 5054 HD3 0.03 -0.00 0.03 -0.04 3.22 3.23 1a49H1 LYS 5055 H 0.04 0.49 -0.49 -0.55 8.42 7.91 1a49H1 LYS 5055 HA 0.02 -0.02 0.51 -0.75 4.32 4.07 1a49H1 LYS 5055 HB2 0.03 0.01 0.13 -0.04 1.87 2.00 1a49H1 LYS 5055 HB3 0.03 0.16 0.27 -0.04 1.79 2.21 1a49H1 LYS 5055 HG2 0.02 -0.02 -0.22 -0.04 1.46 1.19 1a49H1 LYS 5055 HG3 0.01 -0.06 0.06 -0.04 1.46 1.43 1a49H1 LYS 5055 HD2 0.01 0.00 -0.00 -0.04 1.69 1.67 1a49H1 LYS 5055 HD3 0.02 -0.04 -0.00 -0.04 1.68 1.62 1a49H1 LYS 5055 HE2 0.01 -0.02 -0.03 -0.04 2.99 2.91 1a49H1 LYS 5055 HE3 0.01 -0.01 -0.01 -0.04 2.99 2.95 1a49H1 ILE 5056 H 0.02 0.47 0.01 -0.55 8.25 8.20 1a49H1 ILE 5056 HA 0.02 -0.02 0.41 -0.75 4.18 3.83 1a49H1 ILE 5056 HB 0.01 0.11 0.12 -0.04 1.89 2.09 1a49H1 ILE 5056 HG12 0.02 0.15 -0.02 -0.04 1.49 1.61 1a49H1 ILE 5056 HG13 0.02 -0.11 -0.05 -0.04 1.21 1.03 1a49H1 ILE 5056 HG23 0.02 -0.03 -0.09 -0.04 0.93 0.79 1a49H1 ILE 5056 HD13 0.02 -0.02 -0.03 -0.04 0.88 0.81 1a49H1 LEU 5057 H 0.01 0.48 -0.16 -0.55 8.37 8.16 1a49H1 LEU 5057 HA -0.00 -0.04 0.31 -0.75 4.35 3.86 1a49H1 LEU 5057 HB2 0.01 0.17 -0.01 -0.04 1.64 1.77 1a49H1 LEU 5057 HB3 -0.00 0.01 0.02 -0.04 1.64 1.63 1a49H1 LEU 5057 HG -0.00 0.00 -0.03 -0.04 1.64 1.57 1a49H1 LEU 5057 HD13 -0.00 -0.00 -0.15 -0.04 0.93 0.73 1a49H1 LEU 5057 HD23 -0.02 -0.03 -0.07 -0.04 0.89 0.73 1a49H1 GLY 5058 H 0.01 0.27 -0.52 -0.55 8.43 7.64 1a49H1 GLY 5058 HA2 0.01 0.07 0.28 -0.51 4.01 3.86 1a49H1 GLY 5058 HA3 0.01 -0.03 0.28 -0.51 4.01 3.76 1a49H1 GLU 5059 H 0.01 0.13 0.17 -0.55 8.60 8.36 1a49H1 GLU 5059 HA 0.01 0.08 0.44 -0.75 4.29 4.06 1a49H1 GLU 5059 HB2 0.01 -0.06 0.18 -0.04 2.09 2.17 1a49H1 GLU 5059 HB3 0.01 0.04 -0.09 -0.04 1.99 1.91 1a49H1 GLU 5059 HG2 0.00 -0.01 0.10 -0.04 2.34 2.40 1a49H1 GLU 5059 HG3 0.00 -0.00 0.06 -0.04 2.34 2.36 1a49H1 LYS 5060 H 0.00 0.04 -0.12 -0.55 8.42 7.79 1a49H1 LYS 5060 HA 0.00 0.01 0.42 -0.75 4.32 4.00 1a49H1 LYS 5060 HB2 0.00 0.03 0.11 -0.04 1.87 1.97 1a49H1 LYS 5060 HB3 -0.00 0.06 -0.01 -0.04 1.79 1.79 1a49H1 LYS 5060 HG2 0.00 -0.05 0.05 -0.04 1.46 1.43 1a49H1 LYS 5060 HG3 0.00 -0.03 0.04 -0.04 1.46 1.43 1a49H1 LYS 5060 HD2 -0.01 0.07 0.01 -0.04 1.69 1.72 1a49H1 LYS 5060 HD3 -0.00 -0.03 0.02 -0.04 1.68 1.63 1a49H1 LYS 5060 HE2 -0.00 -0.04 -0.00 -0.04 2.99 2.91 1a49H1 LYS 5060 HE3 0.00 -0.01 -0.00 -0.04 2.99 2.94 1a49H1 GLY 5061 H 0.00 0.74 -0.28 -0.55 8.43 8.35 1a49H1 GLY 5061 HA2 -0.00 0.14 0.85 -0.51 4.01 4.49 1a49H1 GLY 5061 HA3 -0.01 -0.05 0.32 -0.51 4.01 3.77 1a49H1 LYS 5062 H 0.01 0.43 -0.36 -0.55 8.42 7.94 1a49H1 LYS 5062 HA 0.01 0.12 0.36 -0.75 4.32 4.06 1a49H1 LYS 5062 HB2 0.01 -0.06 0.09 -0.04 1.87 1.87 1a49H1 LYS 5062 HB3 0.01 0.03 0.14 -0.04 1.79 1.92 1a49H1 LYS 5062 HG2 0.02 -0.01 -0.02 -0.04 1.46 1.40 1a49H1 LYS 5062 HG3 0.02 -0.05 -0.11 -0.04 1.46 1.27 1a49H1 LYS 5062 HD2 0.01 -0.09 0.04 -0.04 1.69 1.61 1a49H1 LYS 5062 HD3 0.01 0.20 0.14 -0.04 1.68 1.99 1a49H1 LYS 5062 HE2 0.01 0.02 0.01 -0.04 2.99 2.99 1a49H1 LYS 5062 HE3 0.02 -0.03 -0.02 -0.04 2.99 2.92 1a49H1 ASN 5063 H 0.02 0.06 -0.42 -0.55 8.53 7.64 1a49H1 ASN 5063 HA 0.03 0.22 0.82 -0.75 4.76 5.08 1a49H1 ASN 5063 HB2 0.02 0.02 -0.00 -0.04 2.88 2.88 1a49H1 ASN 5063 HB3 0.04 -0.02 0.06 -0.04 2.79 2.83 1a49H1 ASN 5063 HD21 0.02 -0.03 -0.05 -0.04 7.03 6.93 1a49H1 ASN 5063 HD22 0.02 0.03 -0.01 -0.04 7.74 7.74 1a49H1 ILE 5064 H 0.01 0.19 -0.33 -0.55 8.25 7.57 1a49H1 ILE 5064 HA 0.02 0.21 0.47 -0.75 4.18 4.12 1a49H1 ILE 5064 HB -0.00 0.20 0.05 -0.04 1.89 2.10 1a49H1 ILE 5064 HG12 -0.01 0.23 -0.15 -0.04 1.49 1.52 1a49H1 ILE 5064 HG13 -0.00 -0.13 -0.03 -0.04 1.21 1.01 1a49H1 ILE 5064 HG23 -0.02 -0.05 -0.44 -0.04 0.93 0.39 1a49H1 ILE 5064 HD13 -0.03 -0.03 -0.09 -0.04 0.88 0.68 1a49H1 LYS 5065 H 0.03 0.50 0.34 -0.55 8.42 8.74 1a49H1 LYS 5065 HA 0.04 0.18 0.80 -0.75 4.32 4.58 1a49H1 LYS 5065 HB2 0.05 -0.03 0.09 -0.04 1.87 1.94 1a49H1 LYS 5065 HB3 0.04 -0.03 -0.02 -0.04 1.79 1.74 1a49H1 LYS 5065 HG2 0.06 0.03 -0.06 -0.04 1.46 1.44 1a49H1 LYS 5065 HG3 0.06 0.14 0.06 -0.04 1.46 1.69 1a49H1 LYS 5065 HD2 0.10 -0.01 0.01 -0.04 1.69 1.74 1a49H1 LYS 5065 HD3 0.06 0.02 -0.02 -0.04 1.68 1.70 1a49H1 LYS 5065 HE2 0.10 -0.01 0.00 -0.04 2.99 3.04 1a49H1 LYS 5065 HE3 0.13 -0.01 0.01 -0.04 2.99 3.07 1a49H1 ILE 5066 H 0.03 0.23 0.20 -0.55 8.25 8.16 1a49H1 ILE 5066 HA 0.05 0.17 0.98 -0.75 4.18 4.62 1a49H1 ILE 5066 HB 0.02 0.01 0.21 -0.04 1.89 2.08 1a49H1 ILE 5066 HG12 0.02 -0.05 -0.19 -0.04 1.49 1.23 1a49H1 ILE 5066 HG13 0.02 0.18 -0.13 -0.04 1.21 1.24 1a49H1 ILE 5066 HG23 0.02 -0.03 -0.19 -0.04 0.93 0.69 1a49H1 ILE 5066 HD13 0.02 0.01 -0.06 -0.04 0.88 0.81 1a49H1 ILE 5067 H 0.13 0.72 0.32 -0.55 8.25 8.87 1a49H1 ILE 5067 HA 0.00 0.38 0.72 -0.75 4.18 4.53 1a49H1 ILE 5067 HB 0.27 -0.06 0.03 -0.04 1.89 2.08 1a49H1 ILE 5067 HG12 0.24 0.03 -0.27 -0.04 1.49 1.44 1a49H1 ILE 5067 HG13 0.06 0.02 -0.29 -0.04 1.21 0.95 1a49H1 ILE 5067 HG23 -0.20 -0.03 -0.54 -0.04 0.93 0.12 1a49H1 ILE 5067 HD13 -0.01 -0.01 -0.56 -0.04 0.88 0.26 1a49H1 SER 5068 H -0.01 0.63 0.34 -0.55 8.46 8.87 1a49H1 SER 5068 HA 0.01 0.07 0.85 -0.75 4.49 4.67 1a49H1 SER 5068 HB2 -0.03 0.04 0.03 -0.04 3.95 3.95 1a49H1 SER 5068 HB3 -0.03 -0.05 -0.06 -0.04 3.93 3.75 1a49H1 LYS 5069 H 0.03 0.63 0.27 -0.55 8.42 8.80 1a49H1 LYS 5069 HA -0.02 0.25 0.90 -0.75 4.32 4.71 1a49H1 LYS 5069 HB2 0.05 -0.18 0.01 -0.04 1.87 1.71 1a49H1 LYS 5069 HB3 0.01 -0.05 -0.05 -0.04 1.79 1.67 1a49H1 LYS 5069 HG2 -0.04 0.02 -0.25 -0.04 1.46 1.15 1a49H1 LYS 5069 HG3 0.05 0.10 -0.29 -0.04 1.46 1.28 1a49H1 LYS 5069 HD2 0.13 0.00 -0.24 -0.04 1.69 1.54 1a49H1 LYS 5069 HD3 0.10 0.01 -0.53 -0.04 1.68 1.22 1a49H1 LYS 5069 HE2 0.06 -0.09 -0.10 -0.04 2.99 2.82 1a49H1 LYS 5069 HE3 0.04 -0.04 -0.13 -0.04 2.99 2.82 1a49H1 ILE 5070 H 0.01 0.69 0.37 -0.55 8.25 8.77 1a49H1 ILE 5070 HA 0.01 0.18 0.83 -0.75 4.18 4.46 1a49H1 ILE 5070 HB 0.00 -0.01 0.17 -0.04 1.89 2.02 1a49H1 ILE 5070 HG12 0.11 0.08 -0.10 -0.04 1.49 1.54 1a49H1 ILE 5070 HG13 0.25 0.05 -0.12 -0.04 1.21 1.36 1a49H1 ILE 5070 HG23 0.01 -0.03 -0.24 -0.04 0.93 0.62 1a49H1 ILE 5070 HD13 0.11 0.04 -0.25 -0.04 0.88 0.74 1a49H1 GLU 5071 H 0.01 0.17 0.12 -0.55 8.60 8.36 1a49H1 GLU 5071 HA 0.03 0.27 0.96 -0.75 4.29 4.79 1a49H1 GLU 5071 HB2 0.25 0.03 -0.06 -0.04 2.09 2.27 1a49H1 GLU 5071 HB3 0.10 -0.07 0.07 -0.04 1.99 2.05 1a49H1 GLU 5071 HG2 0.07 -0.01 -0.75 -0.04 2.34 1.61 1a49H1 GLU 5071 HG3 0.17 -0.00 -0.06 -0.04 2.34 2.41 1a49H1 ASN 5072 H -0.01 0.21 0.12 -0.55 8.53 8.31 1a49H1 ASN 5072 HA 0.02 0.19 0.40 -0.75 4.76 4.62 1a49H1 ASN 5072 HB2 0.13 -0.06 0.22 -0.04 2.88 3.12 1a49H1 ASN 5072 HB3 0.20 0.17 -0.04 -0.04 2.79 3.09 1a49H1 ASN 5072 HD21 -0.25 0.08 0.03 -0.04 7.03 6.85 1a49H1 ASN 5072 HD22 0.05 0.10 0.06 -0.04 7.74 7.91 1a49H1 HIS 5073 H 0.13 0.19 0.11 -0.55 8.41 8.31 1a49H1 HIS 5073 HA -0.01 0.12 0.42 -0.75 4.63 4.40 1a49H1 HIS 5073 HB2 -0.01 -0.07 0.15 -0.04 3.26 3.29 1a49H1 HIS 5073 HB3 -0.02 0.10 0.02 -0.04 3.20 3.26 1a49H1 HIS 5073 HD2 -0.01 0.03 0.02 -0.04 6.97 6.97 1a49H1 HIS 5073 HE1 0.03 0.28 0.06 -0.04 7.75 8.07 1a49H1 GLU 5074 H 0.04 0.09 -0.20 -0.55 8.60 7.98 1a49H1 GLU 5074 HA 0.01 0.10 0.28 -0.75 4.29 3.93 1a49H1 GLU 5074 HB2 -0.03 0.06 -0.01 -0.04 2.09 2.08 1a49H1 GLU 5074 HB3 -0.09 -0.04 0.10 -0.04 1.99 1.91 1a49H1 GLU 5074 HG2 -0.07 0.21 -0.09 -0.04 2.34 2.35 1a49H1 GLU 5074 HG3 -0.04 -0.01 0.03 -0.04 2.34 2.29 1a49H1 GLY 5075 H -0.07 -0.04 -0.22 -0.55 8.43 7.56 1a49H1 GLY 5075 HA2 -0.04 0.10 0.24 -0.51 4.01 3.80 1a49H1 GLY 5075 HA3 -0.04 0.03 0.32 -0.51 4.01 3.81 1a49H1 VAL 5076 H -0.00 0.45 -0.17 -0.55 8.24 7.97 1a49H1 VAL 5076 HA 0.03 0.05 0.44 -0.75 4.13 3.89 1a49H1 VAL 5076 HB -0.02 0.05 0.18 -0.04 2.12 2.29 1a49H1 VAL 5076 HG13 -0.07 0.01 -0.11 -0.04 0.97 0.75 1a49H1 VAL 5076 HG23 -0.08 0.01 -0.07 -0.04 0.95 0.76 1a49H1 ARG 5077 H 0.03 0.67 0.05 -0.55 8.46 8.66 1a49H1 ARG 5077 HA 0.03 -0.00 0.29 -0.75 4.34 3.90 1a49H1 ARG 5077 HB2 0.01 0.03 0.12 -0.04 1.90 2.02 1a49H1 ARG 5077 HB3 0.01 -0.04 0.10 -0.04 1.80 1.83 1a49H1 ARG 5077 HG2 0.04 -0.04 0.04 -0.04 1.67 1.66 1a49H1 ARG 5077 HG3 0.05 0.22 0.17 -0.04 1.67 2.08 1a49H1 ARG 5077 HD2 0.06 -0.12 -0.28 -0.04 3.22 2.84 1a49H1 ARG 5077 HD3 0.01 0.01 -0.04 -0.04 3.22 3.17 1a49H1 ARG 5078 H 0.02 0.65 -0.28 -0.55 8.46 8.30 1a49H1 ARG 5078 HA -0.00 0.13 0.84 -0.75 4.34 4.55 1a49H1 ARG 5078 HB2 -0.04 0.20 0.09 -0.04 1.90 2.11 1a49H1 ARG 5078 HB3 -0.05 -0.22 0.19 -0.04 1.80 1.69 1a49H1 ARG 5078 HG2 -0.02 0.01 -0.16 -0.04 1.67 1.47 1a49H1 ARG 5078 HG3 -0.02 0.08 -0.04 -0.04 1.67 1.65 1a49H1 ARG 5078 HD2 -0.03 -0.03 -0.01 -0.04 3.22 3.11 1a49H1 ARG 5078 HD3 -0.04 0.11 0.04 -0.04 3.22 3.29 1a49H1 PHE 5079 H 0.15 0.63 -0.40 -0.55 8.34 8.16 1a49H1 PHE 5079 HA -0.05 0.01 0.22 -0.75 4.62 4.04 1a49H1 PHE 5079 HB2 -0.05 0.15 0.26 -0.04 3.15 3.47 1a49H1 PHE 5079 HB3 -0.04 -0.04 0.10 -0.04 3.06 3.04 1a49H1 PHE 5079 HD2 -0.05 -0.00 -0.13 -0.04 7.28 7.06 1a49H1 PHE 5079 HE2 -0.05 0.01 -0.13 -0.04 7.38 7.18 1a49H1 PHE 5079 HZ -0.05 0.11 -0.11 -0.04 7.32 7.23 1a49H1 ASP 5080 H 0.03 0.17 -0.12 -0.55 8.40 7.93 1a49H1 ASP 5080 HA -0.23 0.12 0.43 -0.75 4.63 4.19 1a49H1 ASP 5080 HB2 -0.03 -0.03 0.09 -0.04 2.71 2.69 1a49H1 ASP 5080 HB3 -0.05 0.04 0.03 -0.04 2.70 2.68 1a49H1 GLU 5081 H -0.11 0.24 -0.12 -0.55 8.60 8.06 1a49H1 GLU 5081 HA -0.10 0.11 0.35 -0.75 4.29 3.90 1a49H1 GLU 5081 HB2 -0.08 -0.09 0.01 -0.04 2.09 1.89 1a49H1 GLU 5081 HB3 -0.06 0.03 0.07 -0.04 1.99 1.99 1a49H1 GLU 5081 HG2 -0.07 0.04 0.11 -0.04 2.34 2.38 1a49H1 GLU 5081 HG3 -0.10 0.14 0.04 -0.04 2.34 2.38 1a49H1 ILE 5082 H -0.23 0.40 -0.34 -0.55 8.25 7.53 1a49H1 ILE 5082 HA -0.18 -0.08 0.44 -0.75 4.18 3.61 1a49H1 ILE 5082 HB -0.32 0.20 -0.05 -0.04 1.89 1.67 1a49H1 ILE 5082 HG12 -0.13 -0.22 -0.45 -0.04 1.49 0.65 1a49H1 ILE 5082 HG13 -0.13 0.14 -0.23 -0.04 1.21 0.95 1a49H1 ILE 5082 HG23 -0.13 -0.01 -0.27 -0.04 0.93 0.48 1a49H1 ILE 5082 HD13 -0.06 0.05 -0.43 -0.04 0.88 0.40 1a49H1 LEU 5083 H -0.63 0.78 -0.04 -0.55 8.37 7.93 1a49H1 LEU 5083 HA -0.31 0.00 0.30 -0.75 4.35 3.59 1a49H1 LEU 5083 HB2 -1.07 -0.05 0.02 -0.04 1.64 0.49 1a49H1 LEU 5083 HB3 -0.41 0.04 0.18 -0.04 1.64 1.40 1a49H1 LEU 5083 HG -0.10 0.05 -0.20 -0.04 1.64 1.35 1a49H1 LEU 5083 HD13 -0.02 -0.00 -0.10 -0.04 0.93 0.77 1a49H1 LEU 5083 HD23 0.09 -0.00 -0.13 -0.04 0.89 0.80 1a49H1 GLU 5084 H -0.18 0.45 -0.13 -0.55 8.60 8.20 1a49H1 GLU 5084 HA -0.06 0.08 0.14 -0.75 4.29 3.69 1a49H1 GLU 5084 HB2 -0.07 0.01 0.11 -0.04 2.09 2.10 1a49H1 GLU 5084 HB3 -0.06 -0.03 0.10 -0.04 1.99 1.96 1a49H1 GLU 5084 HG2 -0.02 0.05 0.05 -0.04 2.34 2.38 1a49H1 GLU 5084 HG3 -0.02 -0.07 0.00 -0.04 2.34 2.20 1a49H1 ALA 5085 H -0.10 0.27 -0.39 -0.55 8.40 7.63 1a49H1 ALA 5085 HA 0.02 0.06 0.53 -0.75 4.34 4.19 1a49H1 ALA 5085 HB3 -0.09 -0.06 0.10 -0.04 1.41 1.32 1a49H1 SER 5086 H -0.08 0.57 -0.20 -0.55 8.46 8.20 1a49H1 SER 5086 HA -0.02 -0.04 0.68 -0.75 4.49 4.35 1a49H1 SER 5086 HB2 -0.08 0.11 0.03 -0.04 3.95 3.98 1a49H1 SER 5086 HB3 -0.04 -0.02 0.21 -0.04 3.93 4.04 1a49H1 ASP 5087 H -0.00 0.32 0.40 -0.55 8.40 8.57 1a49H1 ASP 5087 HA 0.01 0.17 0.61 -0.75 4.63 4.67 1a49H1 ASP 5087 HB2 0.01 -0.08 0.13 -0.04 2.71 2.74 1a49H1 ASP 5087 HB3 0.01 0.02 0.05 -0.04 2.70 2.74 1a49H1 GLY 5088 H -0.03 0.31 0.21 -0.55 8.43 8.38 1a49H1 GLY 5088 HA2 -0.07 0.21 0.41 -0.51 4.01 4.05 1a49H1 GLY 5088 HA3 -0.09 0.00 0.26 -0.51 4.01 3.67 1a49H1 ILE 5089 H -0.06 0.67 0.30 -0.55 8.25 8.61 1a49H1 ILE 5089 HA -0.02 0.12 1.05 -0.75 4.18 4.58 1a49H1 ILE 5089 HB 0.04 0.07 -0.02 -0.04 1.89 1.94 1a49H1 ILE 5089 HG12 0.03 0.09 -0.34 -0.04 1.49 1.23 1a49H1 ILE 5089 HG13 0.30 0.00 -0.17 -0.04 1.21 1.31 1a49H1 ILE 5089 HG23 0.10 -0.04 -0.40 -0.04 0.93 0.55 1a49H1 ILE 5089 HD13 -0.02 0.03 -0.18 -0.04 0.88 0.67 1a49H1 MET 5090 H -0.04 0.73 0.19 -0.55 8.47 8.81 1a49H1 MET 5090 HA -0.14 0.27 1.07 -0.75 4.52 4.97 1a49H1 MET 5090 HB2 -0.35 0.05 -0.34 -0.04 2.15 1.47 1a49H1 MET 5090 HB3 -0.14 -0.11 -0.14 -0.04 2.03 1.59 1a49H1 MET 5090 HG2 -0.12 -0.03 -0.51 -0.04 2.63 1.93 1a49H1 MET 5090 HG3 -0.25 0.10 -0.25 -0.04 2.56 2.12 1a49H1 MET 5090 HE3 -0.04 -0.02 -0.26 -0.04 2.10 1.74 1a49H1 VAL 5091 H -0.07 0.79 0.21 -0.55 8.24 8.62 1a49H1 VAL 5091 HA -0.05 0.10 0.67 -0.75 4.13 4.09 1a49H1 VAL 5091 HB -0.05 -0.06 0.37 -0.04 2.12 2.33 1a49H1 VAL 5091 HG13 -0.06 -0.02 -0.00 -0.04 0.97 0.85 1a49H1 VAL 5091 HG23 -0.08 0.05 -0.01 -0.04 0.95 0.87 1a49H1 ALA 5092 H -0.02 0.37 0.01 -0.55 8.40 8.21 1a49H1 ALA 5092 HA -0.02 0.01 0.46 -0.75 4.34 4.03 1a49H1 ALA 5092 HB3 0.02 0.00 0.00 -0.04 1.41 1.39 1a49H1 ARG 5093 H -0.01 0.54 0.19 -0.55 8.46 8.63 1a49H1 ARG 5093 HA -0.01 0.04 0.23 -0.75 4.34 3.85 1a49H1 ARG 5093 HB2 0.00 0.12 0.09 -0.04 1.90 2.08 1a49H1 ARG 5093 HB3 0.00 -0.06 0.06 -0.04 1.80 1.76 1a49H1 ARG 5093 HG2 -0.02 -0.08 -0.03 -0.04 1.67 1.50 1a49H1 ARG 5093 HG3 -0.02 0.22 0.20 -0.04 1.67 2.03 1a49H1 ARG 5093 HD2 0.01 -0.08 -0.03 -0.04 3.22 3.08 1a49H1 ARG 5093 HD3 -0.01 -0.03 0.03 -0.04 3.22 3.17 1a49H1 GLY 5094 H 0.01 0.02 -0.36 -0.55 8.43 7.56 1a49H1 GLY 5094 HA2 0.01 0.15 0.45 -0.51 4.01 4.11 1a49H1 GLY 5094 HA3 0.02 -0.03 0.28 -0.51 4.01 3.76 1a49H1 ASP 5095 H 0.03 0.08 -0.08 -0.55 8.40 7.88 1a49H1 ASP 5095 HA 0.03 0.06 0.25 -0.75 4.63 4.21 1a49H1 ASP 5095 HB2 0.06 0.03 0.10 -0.04 2.71 2.86 1a49H1 ASP 5095 HB3 0.06 0.06 0.06 -0.04 2.70 2.83 1a49H1 LEU 5096 H 0.02 0.47 -0.18 -0.55 8.37 8.13 1a49H1 LEU 5096 HA 0.00 0.03 0.16 -0.75 4.35 3.79 1a49H1 LEU 5096 HB2 -0.01 0.12 0.02 -0.04 1.64 1.73 1a49H1 LEU 5096 HB3 -0.02 0.03 -0.07 -0.04 1.64 1.54 1a49H1 LEU 5096 HG -0.07 0.00 -0.19 -0.04 1.64 1.34 1a49H1 LEU 5096 HD13 -0.07 -0.04 -0.33 -0.04 0.93 0.46 1a49H1 LEU 5096 HD23 -0.07 0.02 -0.17 -0.04 0.89 0.63 1a49H1 GLY 5097 H 0.01 0.42 -0.69 -0.55 8.43 7.62 1a49H1 GLY 5097 HA2 -0.00 0.09 0.31 -0.51 4.01 3.89 1a49H1 GLY 5097 HA3 0.01 0.03 0.28 -0.51 4.01 3.82 1a49H1 ILE 5098 H 0.03 0.35 -0.22 -0.55 8.25 7.86 1a49H1 ILE 5098 HA 0.00 0.15 0.65 -0.75 4.18 4.23 1a49H1 ILE 5098 HB 0.06 0.00 0.03 -0.04 1.89 1.94 1a49H1 ILE 5098 HG12 0.00 0.11 -0.16 -0.04 1.49 1.41 1a49H1 ILE 5098 HG13 0.02 0.25 -0.04 -0.04 1.21 1.39 1a49H1 ILE 5098 HG23 0.05 -0.03 -0.31 -0.04 0.93 0.60 1a49H1 ILE 5098 HD13 0.02 -0.10 -0.12 -0.04 0.88 0.63 1a49H1 GLU 5099 H 0.07 0.39 -0.01 -0.55 8.60 8.50 1a49H1 GLU 5099 HA 0.18 -0.05 0.33 -0.75 4.29 4.00 1a49H1 GLU 5099 HB2 0.02 0.13 0.12 -0.04 2.09 2.33 1a49H1 GLU 5099 HB3 0.09 -0.27 0.04 -0.04 1.99 1.81 1a49H1 GLU 5099 HG2 0.11 0.04 0.07 -0.04 2.34 2.51 1a49H1 GLU 5099 HG3 0.14 0.27 0.25 -0.04 2.34 2.96 1a49H1 ILE 5100 H -0.03 0.53 -0.07 -0.55 8.25 8.12 1a49H1 ILE 5100 HA 0.04 0.15 0.78 -0.75 4.18 4.40 1a49H1 ILE 5100 HB -0.29 -0.01 0.04 -0.04 1.89 1.60 1a49H1 ILE 5100 HG12 -0.09 0.44 -0.03 -0.04 1.49 1.77 1a49H1 ILE 5100 HG13 -0.06 0.21 -0.55 -0.04 1.21 0.76 1a49H1 ILE 5100 HG23 -0.71 -0.03 -0.13 -0.04 0.93 0.02 1a49H1 ILE 5100 HD13 -0.14 -0.06 -0.22 -0.04 0.88 0.42 1a49H1 PRO 5101 HA 0.06 0.12 0.43 -0.51 4.44 4.53 1a49H1 PRO 5101 HB2 0.04 -0.13 -0.04 -0.04 2.28 2.12 1a49H1 PRO 5101 HB3 0.05 0.07 0.10 -0.04 2.02 2.20 1a49H1 PRO 5101 HG2 0.06 0.02 0.05 -0.04 2.03 2.12 1a49H1 PRO 5101 HG3 0.08 0.09 0.07 -0.04 2.03 2.23 1a49H1 PRO 5101 HD2 0.05 0.05 0.16 -0.04 3.68 3.90 1a49H1 PRO 5101 HD3 0.16 0.18 0.15 -0.04 3.65 4.10 1a49H1 ALA 5102 H 0.02 0.20 0.23 -0.55 8.40 8.31 1a49H1 ALA 5102 HA 0.02 0.15 0.44 -0.75 4.34 4.19 1a49H1 ALA 5102 HB3 0.02 0.03 0.13 -0.04 1.41 1.54 1a49H1 GLU 5103 H 0.04 0.09 -0.20 -0.55 8.60 7.99 1a49H1 GLU 5103 HA 0.09 0.10 0.39 -0.75 4.29 4.11 1a49H1 GLU 5103 HB2 0.09 0.03 0.11 -0.04 2.09 2.29 1a49H1 GLU 5103 HB3 0.05 0.00 0.08 -0.04 1.99 2.08 1a49H1 GLU 5103 HG2 0.07 0.05 -0.31 -0.04 2.34 2.11 1a49H1 GLU 5103 HG3 0.06 0.04 -0.05 -0.04 2.34 2.34 1a49H1 LYS 5104 H 0.03 0.57 -0.73 -0.55 8.42 7.74 1a49H1 LYS 5104 HA -0.04 0.19 0.87 -0.75 4.32 4.58 1a49H1 LYS 5104 HB2 -0.04 0.20 -0.04 -0.04 1.87 1.95 1a49H1 LYS 5104 HB3 -0.10 -0.07 0.06 -0.04 1.79 1.63 1a49H1 LYS 5104 HG2 -0.02 0.03 -0.07 -0.04 1.46 1.35 1a49H1 LYS 5104 HG3 0.02 -0.07 -0.16 -0.04 1.46 1.20 1a49H1 LYS 5104 HD2 0.00 0.01 -0.01 -0.04 1.69 1.65 1a49H1 LYS 5104 HD3 -0.03 -0.01 -0.01 -0.04 1.68 1.59 1a49H1 LYS 5104 HE2 0.03 -0.03 -0.03 -0.04 2.99 2.92 1a49H1 LYS 5104 HE3 0.05 0.01 -0.00 -0.04 2.99 3.01 1a49H1 VAL 5105 H 0.04 0.50 -0.15 -0.55 8.24 8.08 1a49H1 VAL 5105 HA -0.06 0.04 0.38 -0.75 4.13 3.73 1a49H1 VAL 5105 HB 0.05 0.11 0.13 -0.04 2.12 2.37 1a49H1 VAL 5105 HG13 0.00 -0.01 -0.13 -0.04 0.97 0.79 1a49H1 VAL 5105 HG23 -0.01 0.03 -0.08 -0.04 0.95 0.85 1a49H1 PHE 5106 H 0.30 0.21 -0.25 -0.55 8.34 8.05 1a49H1 PHE 5106 HA -0.03 0.04 0.28 -0.75 4.62 4.16 1a49H1 PHE 5106 HB2 -0.02 0.05 0.04 -0.04 3.15 3.18 1a49H1 PHE 5106 HB3 -0.02 0.01 0.05 -0.04 3.06 3.07 1a49H1 PHE 5106 HD2 -0.01 0.03 -0.12 -0.04 7.28 7.14 1a49H1 PHE 5106 HE2 -0.00 0.07 0.01 -0.04 7.38 7.41 1a49H1 PHE 5106 HZ -0.00 0.00 -0.01 -0.04 7.32 7.27 1a49H1 LEU 5107 H -0.88 0.22 -0.41 -0.55 8.37 6.75 1a49H1 LEU 5107 HA -0.52 0.06 0.40 -0.75 4.35 3.54 1a49H1 LEU 5107 HB2 -0.39 0.18 0.17 -0.04 1.64 1.56 1a49H1 LEU 5107 HB3 -0.31 -0.01 0.04 -0.04 1.64 1.32 1a49H1 LEU 5107 HG -1.68 -0.06 0.04 -0.04 1.64 -0.10 1a49H1 LEU 5107 HD13 -0.22 -0.01 0.05 -0.04 0.93 0.71 1a49H1 LEU 5107 HD23 -0.33 0.01 0.01 -0.04 0.89 0.53 1a49H1 ALA 5108 H -0.23 0.38 -0.13 -0.55 8.40 7.88 1a49H1 ALA 5108 HA -0.18 0.03 0.26 -0.75 4.34 3.70 1a49H1 ALA 5108 HB3 -0.14 0.01 0.01 -0.04 1.41 1.25 1a49H1 GLN 5109 H -0.10 0.57 -0.14 -0.55 8.47 8.25 1a49H1 GLN 5109 HA -0.10 0.01 0.52 -0.75 4.36 4.03 1a49H1 GLN 5109 HB2 -0.03 -0.06 0.05 -0.04 2.15 2.06 1a49H1 GLN 5109 HB3 -0.00 0.04 0.09 -0.04 2.02 2.10 1a49H1 GLN 5109 HG2 -0.00 0.09 -0.27 -0.04 2.40 2.17 1a49H1 GLN 5109 HG3 -0.03 -0.02 -0.13 -0.04 2.39 2.16 1a49H1 GLN 5109 HE21 0.01 -0.00 -0.09 -0.04 6.97 6.86 1a49H1 GLN 5109 HE22 0.01 0.08 -0.11 -0.04 7.69 7.62 1a49H1 LYS 5110 H -0.06 0.66 -0.08 -0.55 8.42 8.39 1a49H1 LYS 5110 HA -0.04 0.07 0.43 -0.75 4.32 4.03 1a49H1 LYS 5110 HB2 -0.03 0.02 0.13 -0.04 1.87 1.95 1a49H1 LYS 5110 HB3 -0.01 0.01 0.07 -0.04 1.79 1.82 1a49H1 LYS 5110 HG2 0.04 -0.00 0.02 -0.04 1.46 1.48 1a49H1 LYS 5110 HG3 0.09 0.18 0.11 -0.04 1.46 1.80 1a49H1 LYS 5110 HD2 0.24 -0.05 -0.05 -0.04 1.69 1.79 1a49H1 LYS 5110 HD3 0.09 0.03 -0.01 -0.04 1.68 1.76 1a49H1 LYS 5110 HE2 0.19 -0.05 -0.03 -0.04 2.99 3.05 1a49H1 LYS 5110 HE3 0.21 -0.06 -0.05 -0.04 2.99 3.05 1a49H1 MET 5111 H -0.14 0.62 -0.09 -0.55 8.47 8.32 1a49H1 MET 5111 HA -0.10 0.02 0.35 -0.75 4.52 4.04 1a49H1 MET 5111 HB2 -0.13 -0.01 0.10 -0.04 2.15 2.06 1a49H1 MET 5111 HB3 -0.19 0.05 0.13 -0.04 2.03 1.98 1a49H1 MET 5111 HG2 -0.11 -0.02 0.03 -0.04 2.63 2.48 1a49H1 MET 5111 HG3 -0.11 -0.04 -0.03 -0.04 2.56 2.34 1a49H1 MET 5111 HE3 -0.19 -0.00 -0.04 -0.04 2.10 1.83 1a49H1 ILE 5112 H -0.24 0.49 -0.31 -0.55 8.25 7.63 1a49H1 ILE 5112 HA -0.68 -0.01 0.31 -0.75 4.18 3.04 1a49H1 ILE 5112 HB -0.23 0.10 0.14 -0.04 1.89 1.85 1a49H1 ILE 5112 HG12 -0.89 -0.08 -0.02 -0.04 1.49 0.46 1a49H1 ILE 5112 HG13 -0.34 0.52 0.14 -0.04 1.21 1.49 1a49H1 ILE 5112 HG23 -0.38 -0.03 -0.18 -0.04 0.93 0.30 1a49H1 ILE 5112 HD13 -0.30 -0.06 -0.08 -0.04 0.88 0.41 1a49H1 ILE 5113 H -0.13 0.60 -0.15 -0.55 8.25 8.02 1a49H1 ILE 5113 HA -0.06 0.01 0.35 -0.75 4.18 3.73 1a49H1 ILE 5113 HB -0.05 0.01 0.08 -0.04 1.89 1.89 1a49H1 ILE 5113 HG12 -0.06 -0.09 -0.12 -0.04 1.49 1.18 1a49H1 ILE 5113 HG13 -0.07 0.38 0.06 -0.04 1.21 1.54 1a49H1 ILE 5113 HG23 -0.03 0.02 -0.43 -0.04 0.93 0.44 1a49H1 ILE 5113 HD13 -0.03 -0.04 -0.10 -0.04 0.88 0.66 1a49H1 GLY 5114 H -0.07 0.59 -0.12 -0.55 8.43 8.28 1a49H1 GLY 5114 HA2 -0.04 0.08 0.32 -0.51 4.01 3.86 1a49H1 GLY 5114 HA3 -0.05 0.01 0.34 -0.51 4.01 3.81 1a49H1 ARG 5115 H -0.05 0.54 0.01 -0.55 8.46 8.42 1a49H1 ARG 5115 HA 0.04 -0.02 0.35 -0.75 4.34 3.96 1a49H1 ARG 5115 HB2 0.11 0.07 0.08 -0.04 1.90 2.12 1a49H1 ARG 5115 HB3 0.26 -0.07 0.01 -0.04 1.80 1.96 1a49H1 ARG 5115 HG2 0.03 -0.05 0.05 -0.04 1.67 1.67 1a49H1 ARG 5115 HG3 -0.04 0.29 0.14 -0.04 1.67 2.03 1a49H1 ARG 5115 HD2 0.25 -0.05 -0.05 -0.04 3.22 3.33 1a49H1 ARG 5115 HD3 0.13 -0.04 -0.00 -0.04 3.22 3.27 1a49H1 CYS 5116 H 0.03 0.60 -0.29 -0.55 8.50 8.29 1a49H1 CYS 5116 HA 0.07 -0.04 0.60 -0.75 4.58 4.46 1a49H1 CYS 5116 HB2 0.00 0.07 0.08 -0.04 2.97 3.07 1a49H1 CYS 5116 HB3 0.00 0.35 -0.04 -0.04 2.97 3.24 1a49H1 ASN 5117 H -0.01 0.73 0.06 -0.55 8.53 8.76 1a49H1 ASN 5117 HA -0.03 0.05 0.53 -0.75 4.76 4.57 1a49H1 ASN 5117 HB2 -0.03 0.10 0.25 -0.04 2.88 3.16 1a49H1 ASN 5117 HB3 -0.04 -0.03 -0.00 -0.04 2.79 2.68 1a49H1 ASN 5117 HD21 -0.02 0.37 0.06 -0.04 7.03 7.39 1a49H1 ASN 5117 HD22 -0.02 -0.12 -0.02 -0.04 7.74 7.54 1a49H1 ARG 5118 H -0.01 0.73 0.01 -0.55 8.46 8.64 1a49H1 ARG 5118 HA -0.03 0.02 0.39 -0.75 4.34 3.97 1a49H1 ARG 5118 HB2 0.00 0.15 0.05 -0.04 1.90 2.06 1a49H1 ARG 5118 HB3 0.02 0.06 0.02 -0.04 1.80 1.86 1a49H1 ARG 5118 HG2 0.01 0.05 0.04 -0.04 1.67 1.73 1a49H1 ARG 5118 HG3 -0.00 -0.07 -0.02 -0.04 1.67 1.54 1a49H1 ARG 5118 HD2 0.02 0.01 -0.03 -0.04 3.22 3.18 1a49H1 ARG 5118 HD3 0.03 0.04 -0.00 -0.04 3.22 3.24 1a49H1 ALA 5119 H 0.01 0.36 -0.32 -0.55 8.40 7.91 1a49H1 ALA 5119 HA 0.02 0.05 0.60 -0.75 4.34 4.25 1a49H1 ALA 5119 HB3 0.01 -0.04 0.02 -0.04 1.41 1.35 1a49H1 GLY 5120 H -0.03 0.40 -0.41 -0.55 8.43 7.84 1a49H1 GLY 5120 HA2 -0.03 0.06 0.27 -0.51 4.01 3.80 1a49H1 GLY 5120 HA3 -0.01 -0.04 0.30 -0.51 4.01 3.74 1a49H1 LYS 5121 H -0.00 0.42 -0.00 -0.55 8.42 8.28 1a49H1 LYS 5121 HA 0.00 0.21 0.93 -0.75 4.32 4.70 1a49H1 LYS 5121 HB2 -0.01 -0.13 -0.01 -0.04 1.87 1.68 1a49H1 LYS 5121 HB3 -0.04 0.02 -0.09 -0.04 1.79 1.64 1a49H1 LYS 5121 HG2 0.02 0.06 -0.05 -0.04 1.46 1.44 1a49H1 LYS 5121 HG3 0.02 0.02 -0.45 -0.04 1.46 1.01 1a49H1 LYS 5121 HD2 -0.02 -0.14 -0.17 -0.04 1.69 1.33 1a49H1 LYS 5121 HD3 -0.03 0.04 -0.16 -0.04 1.68 1.50 1a49H1 LYS 5121 HE2 0.01 -0.02 0.01 -0.04 2.99 2.95 1a49H1 LYS 5121 HE3 0.01 -0.11 -0.06 -0.04 2.99 2.79 1a49H1 PRO 5122 HA -0.21 0.06 0.45 -0.51 4.44 4.23 1a49H1 PRO 5122 HB2 -0.31 -0.12 -0.09 -0.04 2.28 1.72 1a49H1 PRO 5122 HB3 -0.63 0.26 -0.16 -0.04 2.02 1.46 1a49H1 PRO 5122 HG2 -0.37 -0.06 0.02 -0.04 2.03 1.57 1a49H1 PRO 5122 HG3 -1.43 0.00 -0.05 -0.04 2.03 0.51 1a49H1 PRO 5122 HD2 -0.17 0.40 0.37 -0.04 3.68 4.24 1a49H1 PRO 5122 HD3 -0.32 0.17 0.19 -0.04 3.65 3.66 1a49H1 VAL 5123 H -0.10 0.20 0.32 -0.55 8.24 8.11 1a49H1 VAL 5123 HA -0.08 0.19 1.09 -0.75 4.13 4.58 1a49H1 VAL 5123 HB -0.03 0.12 -0.08 -0.04 2.12 2.10 1a49H1 VAL 5123 HG13 -0.04 -0.01 0.06 -0.04 0.97 0.94 1a49H1 VAL 5123 HG23 -0.05 -0.04 -0.23 -0.04 0.95 0.59 1a49H1 ILE 5124 H -0.11 0.66 0.36 -0.55 8.25 8.61 1a49H1 ILE 5124 HA -0.09 0.31 0.95 -0.75 4.18 4.60 1a49H1 ILE 5124 HB -0.22 -0.15 0.01 -0.04 1.89 1.49 1a49H1 ILE 5124 HG12 -0.14 0.09 -0.22 -0.04 1.49 1.18 1a49H1 ILE 5124 HG13 -0.17 0.05 -0.29 -0.04 1.21 0.76 1a49H1 ILE 5124 HG23 -0.14 -0.02 -0.52 -0.04 0.93 0.20 1a49H1 ILE 5124 HD13 -0.55 -0.03 -0.28 -0.04 0.88 -0.03 1a49H1 CYS 5125 H -0.05 0.76 0.30 -0.55 8.50 8.96 1a49H1 CYS 5125 HA -0.05 0.06 0.84 -0.75 4.58 4.69 1a49H1 CYS 5125 HB2 -0.03 0.09 0.09 -0.04 2.97 3.09 1a49H1 CYS 5125 HB3 -0.02 -0.02 0.16 -0.04 2.97 3.06 1a49H1 ALA 5126 H -0.03 0.41 0.27 -0.55 8.40 8.50 1a49H1 ALA 5126 HA -0.01 0.17 1.02 -0.75 4.34 4.76 1a49H1 ALA 5126 HB3 -0.04 -0.00 -0.19 -0.04 1.41 1.14 1a49H1 THR 5127 H 0.01 0.12 0.04 -0.55 8.28 7.90 1a49H1 THR 5127 HA 0.02 -0.20 0.47 -0.75 4.39 3.93 1a49H1 THR 5127 HB 0.01 0.14 0.02 -0.04 4.32 4.44 1a49H1 THR 5127 HG23 0.02 -0.01 -0.12 -0.04 1.22 1.07 1a49H1 GLN 5128 H 0.02 0.01 0.15 -0.55 8.47 8.11 1a49H1 GLN 5128 HA 0.02 -0.10 0.34 -0.75 4.36 3.87 1a49H1 GLN 5128 HB2 0.01 0.28 0.01 -0.04 2.15 2.41 1a49H1 GLN 5128 HB3 0.01 0.00 0.21 -0.04 2.02 2.21 1a49H1 GLN 5128 HG2 0.02 -0.02 0.06 -0.04 2.40 2.41 1a49H1 GLN 5128 HG3 0.02 -0.12 -0.02 -0.04 2.39 2.23 1a49H1 GLN 5128 HE21 0.01 0.11 -0.03 -0.04 6.97 7.02 1a49H1 GLN 5128 HE22 0.02 -0.07 -0.03 -0.04 7.69 7.57 1a49H1 MET 5129 H 0.02 -0.00 -0.32 -0.55 8.47 7.62 1a49H1 MET 5129 HA 0.01 0.18 0.26 -0.75 4.52 4.22 1a49H1 MET 5129 HB2 0.02 -0.01 0.08 -0.04 2.15 2.20 1a49H1 MET 5129 HB3 0.01 0.12 -0.01 -0.04 2.03 2.11 1a49H1 MET 5129 HG2 0.01 0.08 -0.22 -0.04 2.63 2.46 1a49H1 MET 5129 HG3 0.01 -0.21 -0.19 -0.04 2.56 2.13 1a49H1 MET 5129 HE3 0.01 0.02 -0.11 -0.04 2.10 1.97 1a49H1 LEU 5130 H 0.02 -0.05 -0.26 -0.55 8.37 7.54 1a49H1 LEU 5130 HA 0.02 0.22 0.81 -0.75 4.35 4.64 1a49H1 LEU 5130 HB2 0.03 -0.05 -0.01 -0.04 1.64 1.57 1a49H1 LEU 5130 HB3 0.02 -0.00 0.11 -0.04 1.64 1.73 1a49H1 LEU 5130 HG 0.02 -0.07 -0.40 -0.04 1.64 1.15 1a49H1 LEU 5130 HD13 0.03 0.03 -0.10 -0.04 0.93 0.85 1a49H1 LEU 5130 HD23 0.01 0.08 -0.08 -0.04 0.89 0.86 1a49H1 GLU 5131 H 0.02 0.40 -0.36 -0.55 8.60 8.11 1a49H1 GLU 5131 HA 0.03 -0.07 0.34 -0.75 4.29 3.84 1a49H1 GLU 5131 HB2 0.02 -0.03 0.14 -0.04 2.09 2.18 1a49H1 GLU 5131 HB3 0.02 0.08 0.08 -0.04 1.99 2.12 1a49H1 GLU 5131 HG2 0.02 0.10 -0.00 -0.04 2.34 2.42 1a49H1 GLU 5131 HG3 0.02 0.03 -0.10 -0.04 2.34 2.26 1a49H1 SER 5132 H 0.02 0.11 -0.17 -0.55 8.46 7.87 1a49H1 SER 5132 HA 0.03 0.07 0.34 -0.75 4.49 4.17 1a49H1 SER 5132 HB2 0.01 0.09 0.09 -0.04 3.95 4.10 1a49H1 SER 5132 HB3 0.01 -0.03 0.10 -0.04 3.93 3.97 1a49H1 MET 5133 H 0.03 0.39 -0.43 -0.55 8.47 7.92 1a49H1 MET 5133 HA 0.06 0.25 0.47 -0.75 4.52 4.54 1a49H1 MET 5133 HB2 0.05 0.08 0.05 -0.04 2.15 2.28 1a49H1 MET 5133 HB3 0.07 0.05 0.08 -0.04 2.03 2.19 1a49H1 MET 5133 HG2 -0.01 0.11 -0.43 -0.04 2.63 2.25 1a49H1 MET 5133 HG3 0.01 -0.16 -0.11 -0.04 2.56 2.25 1a49H1 MET 5133 HE3 0.01 -0.01 -0.05 -0.04 2.10 2.00 1a49H1 ILE 5134 H 0.06 0.49 -0.45 -0.55 8.25 7.80 1a49H1 ILE 5134 HA 0.08 0.06 0.71 -0.75 4.18 4.27 1a49H1 ILE 5134 HB 0.04 0.10 0.09 -0.04 1.89 2.08 1a49H1 ILE 5134 HG12 0.04 0.06 -0.36 -0.04 1.49 1.19 1a49H1 ILE 5134 HG13 0.05 -0.03 -0.20 -0.04 1.21 0.99 1a49H1 ILE 5134 HG23 0.03 -0.00 -0.13 -0.04 0.93 0.79 1a49H1 ILE 5134 HD13 0.03 -0.05 -0.01 -0.04 0.88 0.81 1a49H1 LYS 5135 H 0.10 0.39 -0.01 -0.55 8.42 8.34 1a49H1 LYS 5135 HA 0.09 0.18 0.97 -0.75 4.32 4.81 1a49H1 LYS 5135 HB2 0.07 0.04 0.02 -0.04 1.87 1.96 1a49H1 LYS 5135 HB3 0.08 0.01 0.07 -0.04 1.79 1.91 1a49H1 LYS 5135 HG2 0.04 -0.10 -0.17 -0.04 1.46 1.19 1a49H1 LYS 5135 HG3 0.03 -0.00 -0.03 -0.04 1.46 1.42 1a49H1 LYS 5135 HD2 0.02 0.05 0.09 -0.04 1.69 1.82 1a49H1 LYS 5135 HD3 0.01 0.03 -0.17 -0.04 1.68 1.52 1a49H1 LYS 5135 HE2 0.00 -0.03 -0.03 -0.04 2.99 2.89 1a49H1 LYS 5135 HE3 0.01 -0.01 -0.00 -0.04 2.99 2.95 1a49H1 LYS 5136 H 0.17 0.09 0.08 -0.55 8.42 8.21 1a49H1 LYS 5136 HA 0.09 0.28 0.99 -0.75 4.32 4.92 1a49H1 LYS 5136 HB2 -0.01 -0.00 -0.08 -0.04 1.87 1.74 1a49H1 LYS 5136 HB3 -0.07 -0.03 0.05 -0.04 1.79 1.69 1a49H1 LYS 5136 HG2 0.03 0.05 0.01 -0.04 1.46 1.51 1a49H1 LYS 5136 HG3 0.07 -0.09 -0.55 -0.04 1.46 0.84 1a49H1 LYS 5136 HD2 0.01 -0.07 -0.03 -0.04 1.69 1.55 1a49H1 LYS 5136 HD3 -0.00 0.01 -0.03 -0.04 1.68 1.62 1a49H1 LYS 5136 HE2 0.03 0.04 -0.05 -0.04 2.99 2.97 1a49H1 LYS 5136 HE3 0.02 -0.07 -0.02 -0.04 2.99 2.88 1a49H1 PRO 5137 HA -0.90 0.12 0.42 -0.51 4.44 3.57 1a49H1 PRO 5137 HB2 -0.30 0.04 -0.01 -0.04 2.28 1.97 1a49H1 PRO 5137 HB3 -0.81 0.02 0.06 -0.04 2.02 1.25 1a49H1 PRO 5137 HG2 -0.22 0.03 0.01 -0.04 2.03 1.81 1a49H1 PRO 5137 HG3 -0.26 0.04 0.04 -0.04 2.03 1.81 1a49H1 PRO 5137 HD2 -0.20 0.07 0.20 -0.04 3.68 3.72 1a49H1 PRO 5137 HD3 -0.43 0.17 0.14 -0.04 3.65 3.49 1a49H1 ARG 5138 H -0.16 0.12 -0.21 -0.55 8.46 7.66 1a49H1 ARG 5138 HA -0.07 0.24 0.72 -0.75 4.34 4.48 1a49H1 ARG 5138 HB2 -0.06 -0.07 -0.00 -0.04 1.90 1.73 1a49H1 ARG 5138 HB3 -0.04 0.08 0.08 -0.04 1.80 1.87 1a49H1 ARG 5138 HG2 -0.08 0.18 -0.21 -0.04 1.67 1.53 1a49H1 ARG 5138 HG3 -0.08 -0.08 -0.17 -0.04 1.67 1.29 1a49H1 ARG 5138 HD2 -0.03 -0.04 -0.03 -0.04 3.22 3.07 1a49H1 ARG 5138 HD3 -0.03 0.03 -0.00 -0.04 3.22 3.18 1a49H1 PRO 5139 HA -0.01 -0.00 0.53 -0.51 4.44 4.45 1a49H1 PRO 5139 HB2 -0.00 0.04 -0.05 -0.04 2.28 2.22 1a49H1 PRO 5139 HB3 0.00 -0.02 0.02 -0.04 2.02 1.98 1a49H1 PRO 5139 HG2 -0.01 0.06 -0.06 -0.04 2.03 1.98 1a49H1 PRO 5139 HG3 -0.00 0.09 -0.03 -0.04 2.03 2.05 1a49H1 PRO 5139 HD2 -0.02 0.12 0.15 -0.04 3.68 3.89 1a49H1 PRO 5139 HD3 -0.02 0.21 0.09 -0.04 3.65 3.88 1a49H1 THR 5140 H -0.00 -0.02 0.13 -0.55 8.28 7.84 1a49H1 THR 5140 HA -0.01 0.27 0.58 -0.75 4.39 4.48 1a49H1 THR 5140 HB -0.00 -0.01 0.17 -0.04 4.32 4.43 1a49H1 THR 5140 HG23 -0.00 0.03 0.03 -0.04 1.22 1.24 1a49H1 ARG 5141 H -0.01 0.19 0.17 -0.55 8.46 8.26 1a49H1 ARG 5141 HA -0.01 0.20 0.39 -0.75 4.34 4.18 1a49H1 ARG 5141 HB2 -0.01 -0.02 0.13 -0.04 1.90 1.96 1a49H1 ARG 5141 HB3 -0.01 0.09 0.09 -0.04 1.80 1.92 1a49H1 ARG 5141 HG2 -0.01 -0.08 0.15 -0.04 1.67 1.69 1a49H1 ARG 5141 HG3 -0.01 0.06 0.06 -0.04 1.67 1.74 1a49H1 ARG 5141 HD2 -0.01 0.05 0.02 -0.04 3.22 3.24 1a49H1 ARG 5141 HD3 -0.01 0.02 -0.07 -0.04 3.22 3.12 1a49H1 ALA 5142 H -0.01 0.08 -0.08 -0.55 8.40 7.85 1a49H1 ALA 5142 HA -0.01 0.10 0.36 -0.75 4.34 4.04 1a49H1 ALA 5142 HB3 -0.01 0.02 0.08 -0.04 1.41 1.46 1a49H1 GLU 5143 H -0.00 0.01 -0.40 -0.55 8.60 7.66 1a49H1 GLU 5143 HA 0.00 0.16 0.45 -0.75 4.29 4.15 1a49H1 GLU 5143 HB2 0.00 0.02 0.13 -0.04 2.09 2.21 1a49H1 GLU 5143 HB3 0.01 0.11 0.18 -0.04 1.99 2.25 1a49H1 GLU 5143 HG2 0.01 0.20 -0.02 -0.04 2.34 2.49 1a49H1 GLU 5143 HG3 0.00 -0.08 0.01 -0.04 2.34 2.24 1a49H1 GLY 5144 H -0.00 0.40 -0.25 -0.55 8.43 8.04 1a49H1 GLY 5144 HA2 0.00 0.06 0.39 -0.51 4.01 3.96 1a49H1 GLY 5144 HA3 -0.00 0.08 0.30 -0.51 4.01 3.88 1a49H1 SER 5145 H -0.00 0.46 -0.05 -0.55 8.46 8.32 1a49H1 SER 5145 HA 0.00 0.08 0.42 -0.75 4.49 4.24 1a49H1 SER 5145 HB2 -0.01 0.00 0.07 -0.04 3.95 3.97 1a49H1 SER 5145 HB3 -0.01 0.02 0.10 -0.04 3.93 4.00 1a49H1 ASP 5146 H -0.00 0.75 -0.03 -0.55 8.40 8.57 1a49H1 ASP 5146 HA 0.00 -0.05 0.27 -0.75 4.63 4.10 1a49H1 ASP 5146 HB2 0.00 -0.02 0.10 -0.04 2.71 2.75 1a49H1 ASP 5146 HB3 0.01 0.12 0.19 -0.04 2.70 2.98 1a49H1 VAL 5147 H 0.01 0.56 -0.20 -0.55 8.24 8.06 1a49H1 VAL 5147 HA 0.01 -0.03 0.42 -0.75 4.13 3.78 1a49H1 VAL 5147 HB 0.01 0.14 0.11 -0.04 2.12 2.34 1a49H1 VAL 5147 HG13 0.01 -0.00 -0.11 -0.04 0.97 0.83 1a49H1 VAL 5147 HG23 0.01 0.01 -0.00 -0.04 0.95 0.92 1a49H1 ALA 5148 H 0.01 0.40 -0.25 -0.55 8.40 8.02 1a49H1 ALA 5148 HA 0.01 0.08 0.38 -0.75 4.34 4.06 1a49H1 ALA 5148 HB3 0.01 0.01 0.12 -0.04 1.41 1.51 1a49H1 ASN 5149 H 0.01 0.93 0.05 -0.55 8.53 8.98 1a49H1 ASN 5149 HA 0.03 0.04 0.28 -0.75 4.76 4.35 1a49H1 ASN 5149 HB2 0.01 0.06 0.01 -0.04 2.88 2.92 1a49H1 ASN 5149 HB3 0.02 -0.05 -0.01 -0.04 2.79 2.71 1a49H1 ASN 5149 HD21 0.04 -0.01 -0.03 -0.04 7.03 6.99 1a49H1 ASN 5149 HD22 0.05 0.03 0.00 -0.04 7.74 7.77 1a49H1 ALA 5150 H 0.01 0.44 -0.44 -0.55 8.40 7.86 1a49H1 ALA 5150 HA 0.00 -0.03 0.40 -0.75 4.34 3.96 1a49H1 ALA 5150 HB3 0.00 0.04 0.05 -0.04 1.41 1.46 1a49H1 VAL 5151 H 0.01 0.46 -0.15 -0.55 8.24 8.02 1a49H1 VAL 5151 HA 0.01 0.12 0.61 -0.75 4.13 4.10 1a49H1 VAL 5151 HB 0.02 0.12 0.16 -0.04 2.12 2.38 1a49H1 VAL 5151 HG13 0.02 0.03 -0.19 -0.04 0.97 0.79 1a49H1 VAL 5151 HG23 0.01 -0.00 0.04 -0.04 0.95 0.96 1a49H1 LEU 5152 H 0.02 0.53 -0.06 -0.55 8.37 8.30 1a49H1 LEU 5152 HA 0.00 0.13 0.37 -0.75 4.35 4.10 1a49H1 LEU 5152 HB2 0.03 -0.04 -0.01 -0.04 1.64 1.58 1a49H1 LEU 5152 HB3 0.04 -0.06 -0.08 -0.04 1.64 1.49 1a49H1 LEU 5152 HG 0.04 0.07 -0.08 -0.04 1.64 1.63 1a49H1 LEU 5152 HD13 0.07 -0.05 -0.15 -0.04 0.93 0.76 1a49H1 LEU 5152 HD23 0.07 0.01 -0.20 -0.04 0.89 0.73 1a49H1 ASP 5153 H 0.00 0.22 -0.39 -0.55 8.40 7.68 1a49H1 ASP 5153 HA -0.02 -0.01 0.52 -0.75 4.63 4.37 1a49H1 ASP 5153 HB2 -0.01 0.05 0.10 -0.04 2.71 2.81 1a49H1 ASP 5153 HB3 -0.02 -0.09 0.03 -0.04 2.70 2.58 1a49H1 GLY 5154 H -0.01 0.22 -0.43 -0.55 8.43 7.66 1a49H1 GLY 5154 HA2 -0.02 0.13 0.15 -0.51 4.01 3.76 1a49H1 GLY 5154 HA3 -0.02 0.13 0.77 -0.51 4.01 4.38 1a49H1 ALA 5155 H -0.01 0.33 0.17 -0.55 8.40 8.34 1a49H1 ALA 5155 HA -0.03 -0.04 0.38 -0.75 4.34 3.89 1a49H1 ALA 5155 HB3 -0.02 -0.02 -0.01 -0.04 1.41 1.32 1a49H1 ASP 5156 H -0.04 0.22 0.43 -0.55 8.40 8.46 1a49H1 ASP 5156 HA -0.00 0.12 0.59 -0.75 4.63 4.59 1a49H1 ASP 5156 HB2 -0.09 -0.08 0.31 -0.04 2.71 2.81 1a49H1 ASP 5156 HB3 -0.05 0.11 0.18 -0.04 2.70 2.89 1a49H1 CYS 5157 H -0.05 0.31 0.25 -0.55 8.50 8.46 1a49H1 CYS 5157 HA -0.00 0.30 0.95 -0.75 4.58 5.08 1a49H1 CYS 5157 HB2 -0.05 -0.20 -0.09 -0.04 2.97 2.59 1a49H1 CYS 5157 HB3 -0.01 0.05 -0.08 -0.04 2.97 2.89 1a49H1 ILE 5158 H 0.00 0.64 0.24 -0.55 8.25 8.59 1a49H1 ILE 5158 HA -0.01 0.16 0.93 -0.75 4.18 4.50 1a49H1 ILE 5158 HB 0.01 -0.14 0.14 -0.04 1.89 1.86 1a49H1 ILE 5158 HG12 0.01 0.16 -0.03 -0.04 1.49 1.59 1a49H1 ILE 5158 HG13 0.02 -0.08 -0.03 -0.04 1.21 1.08 1a49H1 ILE 5158 HG23 -0.00 0.02 -0.13 -0.04 0.93 0.78 1a49H1 ILE 5158 HD13 0.02 0.00 -0.06 -0.04 0.88 0.81 1a49H1 MET 5159 H 0.00 0.19 0.25 -0.55 8.47 8.37 1a49H1 MET 5159 HA 0.03 0.35 1.18 -0.75 4.52 5.31 1a49H1 MET 5159 HB2 -0.02 0.13 -0.31 -0.04 2.15 1.91 1a49H1 MET 5159 HB3 0.01 -0.32 -0.01 -0.04 2.03 1.66 1a49H1 MET 5159 HG2 0.05 -0.07 -0.18 -0.04 2.63 2.39 1a49H1 MET 5159 HG3 0.06 0.14 -0.00 -0.04 2.56 2.72 1a49H1 MET 5159 HE3 0.12 0.03 -0.23 -0.04 2.10 1.97 1a49H1 LEU 5160 H 0.05 0.88 0.37 -0.55 8.37 9.11 1a49H1 LEU 5160 HA 0.04 -0.06 0.90 -0.75 4.35 4.48 1a49H1 LEU 5160 HB2 0.04 0.12 0.11 -0.04 1.64 1.87 1a49H1 LEU 5160 HB3 0.04 -0.18 -0.03 -0.04 1.64 1.43 1a49H1 LEU 5160 HG 0.03 0.06 -0.44 -0.04 1.64 1.25 1a49H1 LEU 5160 HD13 0.04 0.06 -0.29 -0.04 0.93 0.70 1a49H1 LEU 5160 HD23 0.03 -0.00 -0.08 -0.04 0.89 0.80 1a49H1 SER 5161 H 0.04 -0.03 0.10 -0.55 8.46 8.03 1a49H1 SER 5161 HA 0.07 0.32 0.90 -0.75 4.49 5.02 1a49H1 SER 5161 HB2 0.05 -0.16 0.23 -0.04 3.95 4.03 1a49H1 SER 5161 HB3 0.06 0.11 0.12 -0.04 3.93 4.18 1a49H1 GLY 5162 H 0.05 0.15 0.16 -0.55 8.43 8.24 1a49H1 GLY 5162 HA2 0.05 0.12 0.41 -0.51 4.01 4.08 1a49H1 GLY 5162 HA3 0.04 0.13 0.37 -0.51 4.01 4.04 1a49H1 GLU 5163 H 0.04 -0.13 -0.35 -0.55 8.60 7.62 1a49H1 GLU 5163 HA 0.05 0.12 0.12 -0.75 4.29 3.83 1a49H1 GLU 5163 HB2 0.05 -0.12 -0.04 -0.04 2.09 1.93 1a49H1 GLU 5163 HB3 0.05 0.20 -0.11 -0.04 1.99 2.08 1a49H1 GLU 5163 HG2 0.04 0.20 -0.24 -0.04 2.34 2.30 1a49H1 GLU 5163 HG3 0.04 0.04 -0.16 -0.04 2.34 2.22 1a49H1 THR 5164 H 0.05 0.12 -0.31 -0.55 8.28 7.59 1a49H1 THR 5164 HA 0.04 0.24 0.95 -0.75 4.39 4.88 1a49H1 THR 5164 HB 0.04 0.06 -0.06 -0.04 4.32 4.33 1a49H1 THR 5164 HG23 0.04 0.01 -0.12 -0.04 1.22 1.11 1a49H1 ALA 5165 H 0.05 0.25 -0.03 -0.55 8.40 8.13 1a49H1 ALA 5165 HA 0.06 0.12 0.74 -0.75 4.34 4.50 1a49H1 ALA 5165 HB3 0.08 -0.02 -0.17 -0.04 1.41 1.25 1a49H1 LYS 5166 H 0.04 0.31 0.11 -0.55 8.42 8.32 1a49H1 LYS 5166 HA 0.02 0.11 1.01 -0.75 4.32 4.71 1a49H1 LYS 5166 HB2 0.01 0.03 0.10 -0.04 1.87 1.96 1a49H1 LYS 5166 HB3 0.03 -0.08 -0.23 -0.04 1.79 1.46 1a49H1 LYS 5166 HG2 0.03 -0.04 0.06 -0.04 1.46 1.46 1a49H1 LYS 5166 HG3 0.01 0.07 -0.30 -0.04 1.46 1.20 1a49H1 LYS 5166 HD2 -0.00 0.04 -0.03 -0.04 1.69 1.66 1a49H1 LYS 5166 HD3 0.01 -0.05 -0.03 -0.04 1.68 1.58 1a49H1 LYS 5166 HE2 0.01 0.01 -0.05 -0.04 2.99 2.93 1a49H1 LYS 5166 HE3 0.00 0.04 -0.03 -0.04 2.99 2.97 1a49H1 GLY 5167 H 0.03 0.20 0.04 -0.55 8.43 8.15 1a49H1 GLY 5167 HA2 0.01 0.04 0.39 -0.51 4.01 3.93 1a49H1 GLY 5167 HA3 0.03 0.00 0.36 -0.51 4.01 3.90 1a49H1 ASP 5168 H -0.04 0.93 0.34 -0.55 8.40 9.08 1a49H1 ASP 5168 HA -0.19 0.11 0.57 -0.75 4.63 4.36 1a49H1 ASP 5168 HB2 -0.36 0.02 0.01 -0.04 2.71 2.34 1a49H1 ASP 5168 HB3 -0.74 -0.04 0.05 -0.04 2.70 1.93 1a49H1 TYR 5169 H 0.06 0.15 -0.35 -0.55 8.29 7.60 1a49H1 TYR 5169 HA 0.01 0.15 0.79 -0.75 4.56 4.76 1a49H1 TYR 5169 HB2 0.01 0.19 0.04 -0.04 3.06 3.27 1a49H1 TYR 5169 HB3 0.01 -0.11 0.08 -0.04 2.98 2.92 1a49H1 TYR 5169 HD2 0.01 0.01 -0.33 -0.04 7.15 6.80 1a49H1 TYR 5169 HE2 0.01 0.15 -0.36 -0.04 6.85 6.60 1a49H1 PRO 5170 HA 0.06 0.21 0.43 -0.51 4.44 4.63 1a49H1 PRO 5170 HB2 0.04 0.03 -0.04 -0.04 2.28 2.26 1a49H1 PRO 5170 HB3 0.04 0.05 0.09 -0.04 2.02 2.15 1a49H1 PRO 5170 HG2 0.02 -0.02 0.06 -0.04 2.03 2.06 1a49H1 PRO 5170 HG3 0.01 0.19 -0.00 -0.04 2.03 2.19 1a49H1 PRO 5170 HD2 -0.00 0.21 -0.18 -0.04 3.68 3.66 1a49H1 PRO 5170 HD3 -0.01 0.30 -0.40 -0.04 3.65 3.50 1a49H1 LEU 5171 H 0.06 0.17 -0.15 -0.55 8.37 7.91 1a49H1 LEU 5171 HA 0.04 0.12 0.34 -0.75 4.35 4.09 1a49H1 LEU 5171 HB2 0.06 -0.04 0.02 -0.04 1.64 1.64 1a49H1 LEU 5171 HB3 0.04 0.10 -0.08 -0.04 1.64 1.66 1a49H1 LEU 5171 HG 0.04 -0.05 0.02 -0.04 1.64 1.61 1a49H1 LEU 5171 HD13 0.03 0.02 -0.01 -0.04 0.93 0.93 1a49H1 LEU 5171 HD23 0.03 0.04 -0.16 -0.04 0.89 0.75 1a49H1 GLU 5172 H 0.10 0.08 -0.21 -0.55 8.60 8.03 1a49H1 GLU 5172 HA 0.04 0.10 0.42 -0.75 4.29 4.09 1a49H1 GLU 5172 HB2 0.11 0.05 0.10 -0.04 2.09 2.31 1a49H1 GLU 5172 HB3 -0.00 0.13 0.06 -0.04 1.99 2.13 1a49H1 GLU 5172 HG2 -0.03 0.04 0.09 -0.04 2.34 2.40 1a49H1 GLU 5172 HG3 0.03 0.03 0.07 -0.04 2.34 2.42 1a49H1 ALA 5173 H 0.07 0.41 -0.46 -0.55 8.40 7.87 1a49H1 ALA 5173 HA 0.04 -0.02 0.24 -0.75 4.34 3.84 1a49H1 ALA 5173 HB3 0.06 0.05 0.01 -0.04 1.41 1.49 1a49H1 VAL 5174 H 0.04 0.42 -0.05 -0.55 8.24 8.11 1a49H1 VAL 5174 HA 0.04 -0.05 0.31 -0.75 4.13 3.67 1a49H1 VAL 5174 HB 0.02 0.14 0.06 -0.04 2.12 2.30 1a49H1 VAL 5174 HG13 0.00 0.07 -0.35 -0.04 0.97 0.66 1a49H1 VAL 5174 HG23 0.03 0.01 -0.03 -0.04 0.95 0.91 1a49H1 ARG 5175 H 0.04 0.52 -0.37 -0.55 8.46 8.10 1a49H1 ARG 5175 HA 0.05 0.20 0.49 -0.75 4.34 4.32 1a49H1 ARG 5175 HB2 0.03 0.04 0.19 -0.04 1.90 2.12 1a49H1 ARG 5175 HB3 0.04 -0.06 0.05 -0.04 1.80 1.79 1a49H1 ARG 5175 HG2 0.00 0.06 0.07 -0.04 1.67 1.75 1a49H1 ARG 5175 HG3 0.01 0.06 0.05 -0.04 1.67 1.75 1a49H1 ARG 5175 HD2 0.03 -0.12 -0.32 -0.04 3.22 2.76 1a49H1 ARG 5175 HD3 0.02 -0.04 -0.04 -0.04 3.22 3.13 1a49H1 MET 5176 H 0.04 0.57 -0.12 -0.55 8.47 8.42 1a49H1 MET 5176 HA 0.04 0.02 0.47 -0.75 4.52 4.30 1a49H1 MET 5176 HB2 0.02 0.16 0.12 -0.04 2.15 2.40 1a49H1 MET 5176 HB3 0.03 0.04 0.12 -0.04 2.03 2.18 1a49H1 MET 5176 HG2 0.01 -0.11 -0.04 -0.04 2.63 2.46 1a49H1 MET 5176 HG3 0.02 -0.04 -0.14 -0.04 2.56 2.36 1a49H1 MET 5176 HE3 0.01 -0.03 -0.00 -0.04 2.10 2.04 1a49H1 GLN 5177 H 0.05 0.58 -0.11 -0.55 8.47 8.45 1a49H1 GLN 5177 HA 0.03 -0.05 0.45 -0.75 4.36 4.04 1a49H1 GLN 5177 HB2 0.05 0.11 0.08 -0.04 2.15 2.35 1a49H1 GLN 5177 HB3 0.05 0.08 -0.10 -0.04 2.02 2.01 1a49H1 GLN 5177 HG2 0.03 -0.00 -0.00 -0.04 2.40 2.38 1a49H1 GLN 5177 HG3 0.03 -0.07 -0.07 -0.04 2.39 2.24 1a49H1 GLN 5177 HE21 0.02 0.08 -0.23 -0.04 6.97 6.80 1a49H1 GLN 5177 HE22 0.02 -0.08 -0.09 -0.04 7.69 7.50 1a49H1 HIS 5178 H 0.16 0.49 -0.20 -0.55 8.41 8.31 1a49H1 HIS 5178 HA 0.03 0.04 0.50 -0.75 4.63 4.44 1a49H1 HIS 5178 HB2 0.02 0.09 0.19 -0.04 3.26 3.52 1a49H1 HIS 5178 HB3 0.02 0.15 0.24 -0.04 3.20 3.57 1a49H1 HIS 5178 HD2 0.03 -0.06 -0.04 -0.04 6.97 6.85 1a49H1 HIS 5178 HE1 0.10 0.06 0.04 -0.04 7.75 7.91 1a49H1 LEU 5179 H 0.12 0.52 -0.02 -0.55 8.37 8.44 1a49H1 LEU 5179 HA -0.07 0.07 0.40 -0.75 4.35 3.99 1a49H1 LEU 5179 HB2 0.04 0.05 0.18 -0.04 1.64 1.86 1a49H1 LEU 5179 HB3 0.02 -0.07 -0.02 -0.04 1.64 1.52 1a49H1 LEU 5179 HG 0.12 0.22 0.12 -0.04 1.64 2.07 1a49H1 LEU 5179 HD13 0.04 -0.04 -0.00 -0.04 0.93 0.88 1a49H1 LEU 5179 HD23 0.07 -0.00 0.03 -0.04 0.89 0.95 1a49H1 ILE 5180 H 0.01 0.53 -0.14 -0.55 8.25 8.10 1a49H1 ILE 5180 HA -0.00 -0.00 0.51 -0.75 4.18 3.93 1a49H1 ILE 5180 HB 0.01 0.05 0.10 -0.04 1.89 2.01 1a49H1 ILE 5180 HG12 0.01 -0.07 0.05 -0.04 1.49 1.44 1a49H1 ILE 5180 HG13 0.01 0.10 0.09 -0.04 1.21 1.37 1a49H1 ILE 5180 HG23 0.01 -0.02 -0.17 -0.04 0.93 0.71 1a49H1 ILE 5180 HD13 0.01 -0.03 -0.06 -0.04 0.88 0.76 1a49H1 ALA 5181 H -0.01 0.68 -0.04 -0.55 8.40 8.48 1a49H1 ALA 5181 HA 0.00 -0.04 0.38 -0.75 4.34 3.93 1a49H1 ALA 5181 HB3 -0.00 0.01 0.16 -0.04 1.41 1.54 1a49H1 ARG 5182 H -0.11 0.56 -0.20 -0.55 8.46 8.16 1a49H1 ARG 5182 HA -0.03 0.01 0.36 -0.75 4.34 3.93 1a49H1 ARG 5182 HB2 -0.11 0.12 0.16 -0.04 1.90 2.02 1a49H1 ARG 5182 HB3 -0.04 -0.03 -0.11 -0.04 1.80 1.58 1a49H1 ARG 5182 HG2 -0.16 -0.11 0.01 -0.04 1.67 1.37 1a49H1 ARG 5182 HG3 -0.44 0.01 -0.01 -0.04 1.67 1.19 1a49H1 ARG 5182 HD2 -0.02 -0.05 -0.04 -0.04 3.22 3.06 1a49H1 ARG 5182 HD3 -0.00 0.08 -0.28 -0.04 3.22 2.98 1a49H1 GLU 5183 H -0.02 0.43 -0.10 -0.55 8.60 8.35 1a49H1 GLU 5183 HA 0.01 0.04 0.58 -0.75 4.29 4.16 1a49H1 GLU 5183 HB2 0.00 0.08 0.17 -0.04 2.09 2.29 1a49H1 GLU 5183 HB3 0.01 -0.10 0.06 -0.04 1.99 1.91 1a49H1 GLU 5183 HG2 -0.01 0.21 0.19 -0.04 2.34 2.68 1a49H1 GLU 5183 HG3 -0.00 -0.10 0.07 -0.04 2.34 2.26 1a49H1 ALA 5184 H 0.01 0.59 -0.18 -0.55 8.40 8.27 1a49H1 ALA 5184 HA 0.04 -0.00 0.46 -0.75 4.34 4.07 1a49H1 ALA 5184 HB3 0.02 -0.02 0.06 -0.04 1.41 1.43 1a49H1 GLU 5185 H 0.03 0.70 -0.01 -0.55 8.60 8.78 1a49H1 GLU 5185 HA 0.06 0.03 0.34 -0.75 4.29 3.97 1a49H1 GLU 5185 HB2 0.07 0.10 0.13 -0.04 2.09 2.34 1a49H1 GLU 5185 HB3 0.12 0.05 0.05 -0.04 1.99 2.17 1a49H1 GLU 5185 HG2 0.07 0.03 0.02 -0.04 2.34 2.42 1a49H1 GLU 5185 HG3 0.04 0.01 0.09 -0.04 2.34 2.44 1a49H1 ALA 5186 H 0.07 0.35 -0.50 -0.55 8.40 7.78 1a49H1 ALA 5186 HA 0.17 0.11 0.45 -0.75 4.34 4.32 1a49H1 ALA 5186 HB3 0.06 -0.02 -0.04 -0.04 1.41 1.37 1a49H1 ALA 5187 H 0.08 0.28 -0.29 -0.55 8.40 7.92 1a49H1 ALA 5187 HA 0.09 0.03 0.45 -0.75 4.34 4.16 1a49H1 ALA 5187 HB3 0.06 -0.04 0.10 -0.04 1.41 1.49 1a49H1 MET 5188 H 0.10 0.29 -0.69 -0.55 8.47 7.62 1a49H1 MET 5188 HA 0.03 -0.03 0.43 -0.75 4.52 4.20 1a49H1 MET 5188 HB2 -0.48 0.15 -0.01 -0.04 2.15 1.77 1a49H1 MET 5188 HB3 -0.34 -0.12 -0.01 -0.04 2.03 1.51 1a49H1 MET 5188 HG2 -0.04 -0.09 -0.04 -0.04 2.63 2.42 1a49H1 MET 5188 HG3 -0.00 0.19 0.02 -0.04 2.56 2.73 1a49H1 MET 5188 HE3 -0.21 0.08 0.00 -0.04 2.10 1.93 1a49H1 PHE 5189 H -0.06 0.14 0.04 -0.55 8.34 7.90 1a49H1 PHE 5189 HA -0.32 0.26 0.80 -0.75 4.62 4.60 1a49H1 PHE 5189 HB2 -0.68 0.06 0.03 -0.04 3.15 2.53 1a49H1 PHE 5189 HB3 -0.35 -0.07 0.20 -0.04 3.06 2.80 1a49H1 PHE 5189 HD2 -0.17 -0.01 -0.06 -0.04 7.28 7.00 1a49H1 PHE 5189 HE2 0.06 0.01 -0.30 -0.04 7.38 7.12 1a49H1 PHE 5189 HZ 0.04 0.20 -0.43 -0.04 7.32 7.08 1a49H1 HIS 5190 H 0.21 0.42 -0.23 -0.55 8.41 8.27 1a49H1 HIS 5190 HA 0.05 0.10 0.23 -0.75 4.63 4.25 1a49H1 HIS 5190 HB2 -0.21 -0.04 0.10 -0.04 3.26 3.08 1a49H1 HIS 5190 HB3 -0.31 0.07 -0.03 -0.04 3.20 2.89 1a49H1 HIS 5190 HD2 0.23 0.35 -0.17 -0.04 6.97 7.34 1a49H1 HIS 5190 HE1 0.08 0.23 0.09 -0.04 7.75 8.11 1a49H1 ARG 5191 H 0.04 0.20 -0.07 -0.55 8.46 8.07 1a49H1 ARG 5191 HA -0.12 0.07 0.40 -0.75 4.34 3.93 1a49H1 ARG 5191 HB2 0.01 0.14 0.15 -0.04 1.90 2.16 1a49H1 ARG 5191 HB3 -0.14 -0.05 0.06 -0.04 1.80 1.63 1a49H1 ARG 5191 HG2 -0.03 -0.04 0.07 -0.04 1.67 1.62 1a49H1 ARG 5191 HG3 -0.01 0.06 0.03 -0.04 1.67 1.71 1a49H1 ARG 5191 HD2 -0.10 -0.06 -0.38 -0.04 3.22 2.64 1a49H1 ARG 5191 HD3 -0.01 -0.05 -0.05 -0.04 3.22 3.07 1a49H1 LYS 5192 H -0.67 0.17 -0.16 -0.55 8.42 7.20 1a49H1 LYS 5192 HA -0.27 0.01 0.46 -0.75 4.32 3.76 1a49H1 LYS 5192 HB2 -1.33 0.11 0.11 -0.04 1.87 0.71 1a49H1 LYS 5192 HB3 -0.47 -0.01 -0.13 -0.04 1.79 1.14 1a49H1 LYS 5192 HG2 -1.08 0.09 -0.01 -0.04 1.46 0.41 1a49H1 LYS 5192 HG3 -0.63 -0.09 -0.01 -0.04 1.46 0.69 1a49H1 LYS 5192 HD2 -0.22 -0.03 0.03 -0.04 1.69 1.43 1a49H1 LYS 5192 HD3 -0.24 0.02 0.03 -0.04 1.68 1.45 1a49H1 LYS 5192 HE2 -0.10 0.14 0.05 -0.04 2.99 3.04 1a49H1 LYS 5192 HE3 -0.08 -0.11 0.03 -0.04 2.99 2.79 1a49H1 LEU 5193 H -0.18 0.63 -0.08 -0.55 8.37 8.20 1a49H1 LEU 5193 HA -0.09 -0.05 0.40 -0.75 4.35 3.86 1a49H1 LEU 5193 HB2 -0.09 -0.08 0.00 -0.04 1.64 1.43 1a49H1 LEU 5193 HB3 0.00 0.10 0.04 -0.04 1.64 1.74 1a49H1 LEU 5193 HG 0.07 0.07 -0.27 -0.04 1.64 1.47 1a49H1 LEU 5193 HD13 -0.04 -0.03 -0.01 -0.04 0.93 0.81 1a49H1 LEU 5193 HD23 -0.02 0.02 -0.09 -0.04 0.89 0.76 1a49H1 PHE 5194 H 0.20 0.75 -0.19 -0.55 8.34 8.55 1a49H1 PHE 5194 HA 0.15 0.10 0.29 -0.75 4.62 4.40 1a49H1 PHE 5194 HB2 0.32 0.15 0.08 -0.04 3.15 3.65 1a49H1 PHE 5194 HB3 0.14 0.05 0.14 -0.04 3.06 3.35 1a49H1 PHE 5194 HD2 0.18 0.18 -0.07 -0.04 7.28 7.52 1a49H1 PHE 5194 HE2 -0.01 -0.04 -0.03 -0.04 7.38 7.25 1a49H1 PHE 5194 HZ -0.12 0.03 0.03 -0.04 7.32 7.22 1a49H1 GLU 5195 H 0.13 0.44 -0.07 -0.55 8.60 8.56 1a49H1 GLU 5195 HA -0.03 0.00 0.52 -0.75 4.29 4.03 1a49H1 GLU 5195 HB2 -0.03 0.07 0.18 -0.04 2.09 2.27 1a49H1 GLU 5195 HB3 0.00 -0.10 0.08 -0.04 1.99 1.94 1a49H1 GLU 5195 HG2 0.18 -0.07 0.07 -0.04 2.34 2.47 1a49H1 GLU 5195 HG3 0.11 0.63 0.29 -0.04 2.34 3.32 1a49H1 GLU 5196 H -0.05 0.68 -0.12 -0.55 8.60 8.57 1a49H1 GLU 5196 HA -0.04 -0.07 0.49 -0.75 4.29 3.91 1a49H1 GLU 5196 HB2 -0.06 0.19 0.13 -0.04 2.09 2.30 1a49H1 GLU 5196 HB3 -0.05 -0.09 0.07 -0.04 1.99 1.88 1a49H1 GLU 5196 HG2 -0.06 -0.11 0.04 -0.04 2.34 2.17 1a49H1 GLU 5196 HG3 -0.09 0.24 0.10 -0.04 2.34 2.54 1a49H1 LEU 5197 H -0.05 0.57 -0.22 -0.55 8.37 8.12 1a49H1 LEU 5197 HA -0.04 0.01 0.38 -0.75 4.35 3.94 1a49H1 LEU 5197 HB2 -0.01 0.07 0.09 -0.04 1.64 1.75 1a49H1 LEU 5197 HB3 -0.07 -0.01 -0.05 -0.04 1.64 1.46 1a49H1 LEU 5197 HG -0.01 0.11 -0.03 -0.04 1.64 1.67 1a49H1 LEU 5197 HD13 -0.01 0.04 -0.04 -0.04 0.93 0.88 1a49H1 LEU 5197 HD23 -0.07 -0.01 -0.13 -0.04 0.89 0.65 1a49H1 ALA 5198 H -0.18 0.55 -0.16 -0.55 8.40 8.07 1a49H1 ALA 5198 HA -0.06 0.03 0.44 -0.75 4.34 3.99 1a49H1 ALA 5198 HB3 -0.29 0.01 0.12 -0.04 1.41 1.21 1a49H1 ARG 5199 H -0.06 0.62 -0.09 -0.55 8.46 8.38 1a49H1 ARG 5199 HA -0.02 -0.01 0.44 -0.75 4.34 3.99 1a49H1 ARG 5199 HB2 -0.03 0.11 0.21 -0.04 1.90 2.15 1a49H1 ARG 5199 HB3 -0.01 -0.05 0.01 -0.04 1.80 1.71 1a49H1 ARG 5199 HG2 -0.01 -0.04 0.07 -0.04 1.67 1.64 1a49H1 ARG 5199 HG3 -0.02 0.04 0.04 -0.04 1.67 1.68 1a49H1 ARG 5199 HD2 -0.01 -0.01 0.01 -0.04 3.22 3.17 1a49H1 ARG 5199 HD3 -0.01 -0.05 0.01 -0.04 3.22 3.13 1a49H1 SER 5200 H -0.01 0.67 -0.13 -0.55 8.46 8.44 1a49H1 SER 5200 HA 0.04 -0.09 0.25 -0.75 4.49 3.94 1a49H1 SER 5200 HB2 0.02 -0.13 0.12 -0.04 3.95 3.92 1a49H1 SER 5200 HB3 -0.01 0.09 0.17 -0.04 3.93 4.15 1a49H1 SER 5201 H 0.00 0.38 -0.65 -0.55 8.46 7.64 1a49H1 SER 5201 HA -0.05 0.17 1.15 -0.75 4.49 5.00 1a49H1 SER 5201 HB2 -0.14 -0.20 0.19 -0.04 3.95 3.76 1a49H1 SER 5201 HB3 -0.01 0.14 0.02 -0.04 3.93 4.04 1a49H1 SER 5202 H 0.00 0.66 -0.04 -0.55 8.46 8.53 1a49H1 SER 5202 HA -0.07 0.07 0.34 -0.75 4.49 4.08 1a49H1 SER 5202 HB2 -0.01 -0.12 0.09 -0.04 3.95 3.87 1a49H1 SER 5202 HB3 -0.03 0.02 0.17 -0.04 3.93 4.06 1a49H1 HIS 5203 H -0.01 0.06 -0.74 -0.55 8.41 7.17 1a49H1 HIS 5203 HA -0.01 0.02 0.44 -0.75 4.63 4.33 1a49H1 HIS 5203 HB2 -0.01 -0.07 0.04 -0.04 3.26 3.19 1a49H1 HIS 5203 HB3 -0.01 -0.02 0.02 -0.04 3.20 3.15 1a49H1 HIS 5203 HD2 -0.00 0.13 -0.05 -0.04 6.97 7.00 1a49H1 HIS 5203 HE1 -0.00 -0.03 0.01 -0.04 7.75 7.68 1a49H1 SER 5204 H -0.69 0.69 0.00 -0.55 8.46 7.92 1a49H1 SER 5204 HA -0.08 0.02 0.64 -0.75 4.49 4.31 1a49H1 SER 5204 HB2 -0.18 -0.01 0.09 -0.04 3.95 3.81 1a49H1 SER 5204 HB3 -0.27 0.23 0.14 -0.04 3.93 3.98 1a49H1 THR 5205 H -0.05 0.05 0.15 -0.55 8.28 7.87 1a49H1 THR 5205 HA -0.05 0.31 0.91 -0.75 4.39 4.80 1a49H1 THR 5205 HB -0.03 0.01 -0.07 -0.04 4.32 4.19 1a49H1 THR 5205 HG23 -0.03 -0.04 -0.00 -0.04 1.22 1.11 1a49H1 ASP 5206 H -0.06 0.12 -0.04 -0.55 8.40 7.87 1a49H1 ASP 5206 HA -0.08 0.07 0.48 -0.75 4.63 4.34 1a49H1 ASP 5206 HB2 -0.06 0.09 0.13 -0.04 2.71 2.83 1a49H1 ASP 5206 HB3 -0.04 0.12 0.12 -0.04 2.70 2.86 1a49H1 LEU 5207 H -0.20 0.13 0.21 -0.55 8.37 7.96 1a49H1 LEU 5207 HA -0.07 0.18 0.46 -0.75 4.35 4.17 1a49H1 LEU 5207 HB2 -0.68 -0.07 0.14 -0.04 1.64 0.99 1a49H1 LEU 5207 HB3 -0.43 0.03 -0.04 -0.04 1.64 1.16 1a49H1 LEU 5207 HG -0.15 0.00 0.09 -0.04 1.64 1.54 1a49H1 LEU 5207 HD13 0.12 0.01 0.03 -0.04 0.93 1.04 1a49H1 LEU 5207 HD23 -0.03 0.03 0.03 -0.04 0.89 0.89 1a49H1 MET 5208 H -0.31 0.07 -0.05 -0.55 8.47 7.64 1a49H1 MET 5208 HA 0.19 0.15 0.53 -0.75 4.52 4.63 1a49H1 MET 5208 HB2 -0.14 -0.03 0.02 -0.04 2.15 1.95 1a49H1 MET 5208 HB3 -0.05 0.04 0.05 -0.04 2.03 2.02 1a49H1 MET 5208 HG2 0.11 -0.06 -0.07 -0.04 2.63 2.56 1a49H1 MET 5208 HG3 0.09 0.13 -0.14 -0.04 2.56 2.60 1a49H1 MET 5208 HE3 0.10 0.02 -0.07 -0.04 2.10 2.11 1a49H1 GLU 5209 H -0.02 -0.00 -0.30 -0.55 8.60 7.73 1a49H1 GLU 5209 HA 0.13 0.14 0.26 -0.75 4.29 4.07 1a49H1 GLU 5209 HB2 -0.01 -0.03 -0.03 -0.04 2.09 1.99 1a49H1 GLU 5209 HB3 0.03 0.13 -0.19 -0.04 1.99 1.91 1a49H1 GLU 5209 HG2 0.21 0.12 -0.01 -0.04 2.34 2.62 1a49H1 GLU 5209 HG3 0.05 -0.14 -0.00 -0.04 2.34 2.21 1a49H1 ALA 5210 H -0.03 0.41 -0.39 -0.55 8.40 7.84 1a49H1 ALA 5210 HA -0.07 0.10 0.47 -0.75 4.34 4.08 1a49H1 ALA 5210 HB3 -0.01 0.06 0.05 -0.04 1.41 1.47 1a49H1 MET 5211 H 0.07 0.49 -0.10 -0.55 8.47 8.38 1a49H1 MET 5211 HA 0.04 -0.02 0.42 -0.75 4.52 4.21 1a49H1 MET 5211 HB2 0.16 0.07 0.14 -0.04 2.15 2.48 1a49H1 MET 5211 HB3 0.09 -0.02 0.03 -0.04 2.03 2.09 1a49H1 MET 5211 HG2 0.23 0.22 0.14 -0.04 2.63 3.17 1a49H1 MET 5211 HG3 0.34 -0.05 0.04 -0.04 2.56 2.85 1a49H1 MET 5211 HE3 0.02 0.04 -0.26 -0.04 2.10 1.86 1a49H1 ALA 5212 H 0.04 0.42 -0.50 -0.55 8.40 7.81 1a49H1 ALA 5212 HA 0.05 -0.01 0.34 -0.75 4.34 3.97 1a49H1 ALA 5212 HB3 0.13 0.07 -0.06 -0.04 1.41 1.51 1a49H1 MET 5213 H -0.14 0.60 -0.07 -0.55 8.47 8.31 1a49H1 MET 5213 HA -0.06 0.09 0.40 -0.75 4.52 4.20 1a49H1 MET 5213 HB2 -0.16 -0.01 0.11 -0.04 2.15 2.05 1a49H1 MET 5213 HB3 -0.12 -0.05 0.01 -0.04 2.03 1.82 1a49H1 MET 5213 HG2 -1.77 0.00 -0.02 -0.04 2.63 0.81 1a49H1 MET 5213 HG3 -0.61 0.53 0.12 -0.04 2.56 2.56 1a49H1 MET 5213 HE3 -0.47 -0.01 -0.02 -0.04 2.10 1.56 1a49H1 GLY 5214 H -0.03 0.80 -0.20 -0.55 8.43 8.46 1a49H1 GLY 5214 HA2 -0.01 0.00 0.43 -0.51 4.01 3.92 1a49H1 GLY 5214 HA3 -0.01 0.02 0.28 -0.51 4.01 3.79 1a49H1 SER 5215 H -0.01 0.65 -0.18 -0.55 8.46 8.37 1a49H1 SER 5215 HA -0.04 -0.08 0.29 -0.75 4.49 3.91 1a49H1 SER 5215 HB2 -0.00 0.15 0.14 -0.04 3.95 4.20 1a49H1 SER 5215 HB3 -0.02 -0.08 -0.07 -0.04 3.93 3.72 1a49H1 VAL 5216 H -0.06 0.71 -0.12 -0.55 8.24 8.23 1a49H1 VAL 5216 HA -0.26 -0.01 0.42 -0.75 4.13 3.53 1a49H1 VAL 5216 HB -0.02 0.07 0.08 -0.04 2.12 2.20 1a49H1 VAL 5216 HG13 -0.58 0.02 -0.25 -0.04 0.97 0.12 1a49H1 VAL 5216 HG23 0.05 0.03 -0.03 -0.04 0.95 0.96 1a49H1 GLU 5217 H -0.20 0.64 -0.24 -0.55 8.60 8.26 1a49H1 GLU 5217 HA -0.43 0.03 0.46 -0.75 4.29 3.60 1a49H1 GLU 5217 HB2 -0.08 0.10 0.13 -0.04 2.09 2.19 1a49H1 GLU 5217 HB3 -0.07 0.07 0.16 -0.04 1.99 2.11 1a49H1 GLU 5217 HG2 -0.00 -0.06 -0.04 -0.04 2.34 2.21 1a49H1 GLU 5217 HG3 -0.04 -0.06 -0.21 -0.04 2.34 1.99 1a49H1 ALA 5218 H -0.11 0.68 -0.12 -0.55 8.40 8.31 1a49H1 ALA 5218 HA -0.05 -0.03 0.46 -0.75 4.34 3.96 1a49H1 ALA 5218 HB3 -0.05 0.00 0.06 -0.04 1.41 1.39 1a49H1 SER 5219 H -0.16 0.73 -0.14 -0.55 8.46 8.34 1a49H1 SER 5219 HA -0.06 -0.13 0.21 -0.75 4.49 3.76 1a49H1 SER 5219 HB2 -0.08 -0.04 0.02 -0.04 3.95 3.81 1a49H1 SER 5219 HB3 -0.12 0.03 0.07 -0.04 3.93 3.87 1a49H1 TYR 5220 H -0.22 0.52 -0.29 -0.55 8.29 7.75 1a49H1 TYR 5220 HA -0.09 0.02 0.38 -0.75 4.56 4.12 1a49H1 TYR 5220 HB2 -0.15 0.10 0.15 -0.04 3.06 3.12 1a49H1 TYR 5220 HB3 -0.09 -0.06 0.01 -0.04 2.98 2.79 1a49H1 TYR 5220 HD2 -0.27 -0.06 0.00 -0.04 7.15 6.79 1a49H1 TYR 5220 HE2 -0.41 -0.05 -0.02 -0.04 6.85 6.33 1a49H1 LYS 5221 H 0.02 0.60 -0.00 -0.55 8.42 8.49 1a49H1 LYS 5221 HA 0.03 -0.01 0.41 -0.75 4.32 3.99 1a49H1 LYS 5221 HB2 0.01 0.03 0.13 -0.04 1.87 1.99 1a49H1 LYS 5221 HB3 -0.01 0.01 0.18 -0.04 1.79 1.94 1a49H1 LYS 5221 HG2 0.00 -0.08 -0.01 -0.04 1.46 1.33 1a49H1 LYS 5221 HG3 0.00 -0.02 -0.18 -0.04 1.46 1.22 1a49H1 LYS 5221 HD2 0.01 0.05 0.13 -0.04 1.69 1.84 1a49H1 LYS 5221 HD3 0.01 0.00 0.05 -0.04 1.68 1.71 1a49H1 LYS 5221 HE2 0.01 -0.04 0.00 -0.04 2.99 2.92 1a49H1 LYS 5221 HE3 0.01 -0.03 -0.01 -0.04 2.99 2.91 1a49H1 CYS 5222 H -0.00 0.46 -0.05 -0.55 8.50 8.35 1a49H1 CYS 5222 HA 0.00 0.19 0.90 -0.75 4.58 4.92 1a49H1 CYS 5222 HB2 -0.01 -0.04 0.10 -0.04 2.97 2.98 1a49H1 CYS 5222 HB3 -0.01 -0.07 0.00 -0.04 2.97 2.85 1a49H1 LEU 5223 H 0.02 0.26 -0.50 -0.55 8.37 7.60 1a49H1 LEU 5223 HA 0.02 0.05 0.41 -0.75 4.35 4.08 1a49H1 LEU 5223 HB2 0.01 0.11 -0.12 -0.04 1.64 1.60 1a49H1 LEU 5223 HB3 0.01 -0.07 0.22 -0.04 1.64 1.76 1a49H1 LEU 5223 HG 0.01 0.08 -0.19 -0.04 1.64 1.51 1a49H1 LEU 5223 HD13 0.01 -0.04 -0.01 -0.04 0.93 0.86 1a49H1 LEU 5223 HD23 0.01 0.00 0.09 -0.04 0.89 0.95 1a49H1 ALA 5224 H -0.01 0.18 -0.10 -0.55 8.40 7.92 1a49H1 ALA 5224 HA -0.02 0.03 0.42 -0.75 4.34 4.01 1a49H1 ALA 5224 HB3 -0.04 -0.05 0.05 -0.04 1.41 1.34 1a49H1 ALA 5225 H -0.02 0.66 0.44 -0.55 8.40 8.93 1a49H1 ALA 5225 HA 0.05 0.15 0.67 -0.75 4.34 4.46 1a49H1 ALA 5225 HB3 0.14 0.02 0.15 -0.04 1.41 1.68 1a49H1 ALA 5226 H -0.00 0.12 0.02 -0.55 8.40 7.99 1a49H1 ALA 5226 HA 0.01 0.25 0.38 -0.75 4.34 4.22 1a49H1 ALA 5226 HB3 0.19 0.02 -0.19 -0.04 1.41 1.39 1a49H1 LEU 5227 H 0.02 0.70 0.27 -0.55 8.37 8.81 1a49H1 LEU 5227 HA -0.01 0.17 1.07 -0.75 4.35 4.83 1a49H1 LEU 5227 HB2 0.02 0.08 0.07 -0.04 1.64 1.76 1a49H1 LEU 5227 HB3 0.01 -0.06 -0.08 -0.04 1.64 1.46 1a49H1 LEU 5227 HG -0.03 -0.04 -0.26 -0.04 1.64 1.27 1a49H1 LEU 5227 HD13 -0.03 0.03 -0.16 -0.04 0.93 0.74 1a49H1 LEU 5227 HD23 -0.04 -0.00 -0.21 -0.04 0.89 0.60 1a49H1 ILE 5228 H -0.00 0.86 0.43 -0.55 8.25 8.99 1a49H1 ILE 5228 HA 0.05 0.37 1.11 -0.75 4.18 4.95 1a49H1 ILE 5228 HB -0.01 -0.07 0.12 -0.04 1.89 1.89 1a49H1 ILE 5228 HG12 0.11 0.08 -0.15 -0.04 1.49 1.48 1a49H1 ILE 5228 HG13 0.02 -0.01 -0.30 -0.04 1.21 0.88 1a49H1 ILE 5228 HG23 0.02 0.00 -0.12 -0.04 0.93 0.79 1a49H1 ILE 5228 HD13 0.03 -0.01 -0.17 -0.04 0.88 0.68 1a49H1 VAL 5229 H 0.03 0.69 0.31 -0.55 8.24 8.72 1a49H1 VAL 5229 HA 0.00 0.29 1.26 -0.75 4.13 4.92 1a49H1 VAL 5229 HB 0.01 -0.01 -0.05 -0.04 2.12 2.02 1a49H1 VAL 5229 HG13 -0.00 -0.03 -0.32 -0.04 0.97 0.58 1a49H1 VAL 5229 HG23 0.02 0.04 -0.35 -0.04 0.95 0.63 1a49H1 LEU 5230 H -0.01 0.49 0.29 -0.55 8.37 8.60 1a49H1 LEU 5230 HA -0.02 0.26 0.91 -0.75 4.35 4.75 1a49H1 LEU 5230 HB2 -0.03 -0.11 0.26 -0.04 1.64 1.72 1a49H1 LEU 5230 HB3 -0.04 -0.06 0.03 -0.04 1.64 1.53 1a49H1 LEU 5230 HG -0.07 0.10 0.01 -0.04 1.64 1.64 1a49H1 LEU 5230 HD13 -0.18 -0.01 0.00 -0.04 0.93 0.70 1a49H1 LEU 5230 HD23 -0.05 0.01 -0.22 -0.04 0.89 0.59 1a49H1 THR 5231 H -0.01 0.90 0.37 -0.55 8.28 9.00 1a49H1 THR 5231 HA 0.02 0.01 0.75 -0.75 4.39 4.41 1a49H1 THR 5231 HB -0.04 0.11 -0.36 -0.04 4.32 3.99 1a49H1 THR 5231 HG23 -0.06 0.10 -0.24 -0.04 1.22 0.97 1a49H1 GLU 5232 H 0.02 -0.01 0.21 -0.55 8.60 8.27 1a49H1 GLU 5232 HA 0.02 0.22 1.17 -0.75 4.29 4.95 1a49H1 GLU 5232 HB2 0.05 -0.06 0.16 -0.04 2.09 2.20 1a49H1 GLU 5232 HB3 0.05 0.09 0.06 -0.04 1.99 2.14 1a49H1 GLU 5232 HG2 0.07 -0.03 -0.18 -0.04 2.34 2.15 1a49H1 GLU 5232 HG3 0.08 0.04 -0.00 -0.04 2.34 2.41 1a49H1 SER 5233 H 0.01 -0.08 0.20 -0.55 8.46 8.05 1a49H1 SER 5233 HA 0.03 0.26 0.69 -0.75 4.49 4.72 1a49H1 SER 5233 HB2 0.04 0.16 0.14 -0.04 3.95 4.24 1a49H1 SER 5233 HB3 0.03 0.06 0.12 -0.04 3.93 4.10 1a49H1 GLY 5234 H -0.08 -0.12 -0.24 -0.55 8.43 7.45 1a49H1 GLY 5234 HA2 -0.24 0.08 0.14 -0.51 4.01 3.48 1a49H1 GLY 5234 HA3 -0.35 0.37 0.56 -0.51 4.01 4.08 1a49H1 ARG 5235 H -0.15 0.02 -0.56 -0.55 8.46 7.22 1a49H1 ARG 5235 HA -0.16 0.21 0.18 -0.75 4.34 3.82 1a49H1 ARG 5235 HB2 -0.01 -0.07 0.08 -0.04 1.90 1.86 1a49H1 ARG 5235 HB3 0.00 -0.01 0.05 -0.04 1.80 1.80 1a49H1 ARG 5235 HG2 0.03 0.00 0.01 -0.04 1.67 1.67 1a49H1 ARG 5235 HG3 0.06 0.09 0.04 -0.04 1.67 1.83 1a49H1 ARG 5235 HD2 0.06 0.07 0.02 -0.04 3.22 3.32 1a49H1 ARG 5235 HD3 0.08 0.08 0.01 -0.04 3.22 3.35 1a49H1 SER 5236 H -0.06 -0.05 -0.14 -0.55 8.46 7.66 1a49H1 SER 5236 HA 0.03 0.09 0.27 -0.75 4.49 4.12 1a49H1 SER 5236 HB2 0.01 0.08 -0.02 -0.04 3.95 3.98 1a49H1 SER 5236 HB3 0.06 0.12 0.03 -0.04 3.93 4.10 1a49H1 ALA 5237 H -0.17 -0.00 -0.32 -0.55 8.40 7.37 1a49H1 ALA 5237 HA -0.03 0.08 0.33 -0.75 4.34 3.96 1a49H1 ALA 5237 HB3 -0.12 0.04 -0.02 -0.04 1.41 1.27 1a49H1 HIS 5238 H -0.54 0.51 -0.19 -0.55 8.41 7.65 1a49H1 HIS 5238 HA -0.33 0.07 0.21 -0.75 4.63 3.82 1a49H1 HIS 5238 HB2 -0.18 -0.03 0.03 -0.04 3.26 3.05 1a49H1 HIS 5238 HB3 -0.35 0.11 0.02 -0.04 3.20 2.94 1a49H1 HIS 5238 HD2 -0.13 -0.04 -0.12 -0.04 6.97 6.64 1a49H1 HIS 5238 HE1 -0.20 0.03 -0.10 -0.04 7.75 7.43 1a49H1 GLN 5239 H 0.00 0.48 -0.21 -0.55 8.47 8.19 1a49H1 GLN 5239 HA 0.09 0.09 0.29 -0.75 4.36 4.08 1a49H1 GLN 5239 HB2 0.07 0.03 0.02 -0.04 2.15 2.23 1a49H1 GLN 5239 HB3 0.14 -0.05 -0.10 -0.04 2.02 1.96 1a49H1 GLN 5239 HG2 0.06 0.06 -0.02 -0.04 2.40 2.46 1a49H1 GLN 5239 HG3 0.05 -0.17 -0.08 -0.04 2.39 2.15 1a49H1 GLN 5239 HE21 0.04 -0.00 -0.02 -0.04 6.97 6.94 1a49H1 GLN 5239 HE22 0.03 -0.10 -0.04 -0.04 7.69 7.53 1a49H1 VAL 5240 H 0.06 0.43 -0.33 -0.55 8.24 7.84 1a49H1 VAL 5240 HA 0.17 0.01 0.54 -0.75 4.13 4.09 1a49H1 VAL 5240 HB 0.05 0.13 0.09 -0.04 2.12 2.35 1a49H1 VAL 5240 HG13 0.06 -0.00 -0.17 -0.04 0.97 0.82 1a49H1 VAL 5240 HG23 0.05 0.01 -0.05 -0.04 0.95 0.92 1a49H1 ALA 5241 H 0.08 0.45 -0.10 -0.55 8.40 8.28 1a49H1 ALA 5241 HA 0.12 0.10 0.43 -0.75 4.34 4.24 1a49H1 ALA 5241 HB3 0.15 0.02 0.01 -0.04 1.41 1.55 1a49H1 ARG 5242 H 0.07 0.44 -0.22 -0.55 8.46 8.20 1a49H1 ARG 5242 HA -0.01 0.02 0.27 -0.75 4.34 3.86 1a49H1 ARG 5242 HB2 -0.39 0.03 -0.08 -0.04 1.90 1.43 1a49H1 ARG 5242 HB3 -0.08 -0.03 0.07 -0.04 1.80 1.71 1a49H1 ARG 5242 HG2 -0.00 0.04 0.08 -0.04 1.67 1.76 1a49H1 ARG 5242 HG3 -0.42 0.02 -0.09 -0.04 1.67 1.14 1a49H1 ARG 5242 HD2 -0.03 -0.02 -0.04 -0.04 3.22 3.09 1a49H1 ARG 5242 HD3 -0.02 -0.16 -0.03 -0.04 3.22 2.97 1a49H1 TYR 5243 H 0.15 0.28 -0.63 -0.55 8.29 7.54 1a49H1 TYR 5243 HA 0.11 0.12 0.68 -0.75 4.56 4.72 1a49H1 TYR 5243 HB2 0.14 0.07 -0.03 -0.04 3.06 3.20 1a49H1 TYR 5243 HB3 0.38 -0.08 0.03 -0.04 2.98 3.26 1a49H1 TYR 5243 HD2 -0.06 0.11 -0.03 -0.04 7.15 7.12 1a49H1 TYR 5243 HE2 -0.10 -0.09 -0.17 -0.04 6.85 6.45 1a49H1 ARG 5244 H 0.15 0.61 -0.36 -0.55 8.46 8.31 1a49H1 ARG 5244 HA 0.17 0.12 0.30 -0.75 4.34 4.18 1a49H1 ARG 5244 HB2 0.26 0.02 -0.31 -0.04 1.90 1.83 1a49H1 ARG 5244 HB3 0.20 -0.06 0.01 -0.04 1.80 1.91 1a49H1 ARG 5244 HG2 0.07 0.20 -0.28 -0.04 1.67 1.62 1a49H1 ARG 5244 HG3 0.06 -0.12 -0.14 -0.04 1.67 1.43 1a49H1 ARG 5244 HD2 0.08 -0.05 -0.06 -0.04 3.22 3.14 1a49H1 ARG 5244 HD3 0.09 0.16 -0.01 -0.04 3.22 3.42 1a49H1 PRO 5245 HA -0.04 0.01 0.47 -0.51 4.44 4.37 1a49H1 PRO 5245 HB2 0.02 0.14 -0.12 -0.04 2.28 2.28 1a49H1 PRO 5245 HB3 -0.09 -0.11 0.05 -0.04 2.02 1.83 1a49H1 PRO 5245 HG2 0.08 0.13 -0.11 -0.04 2.03 2.09 1a49H1 PRO 5245 HG3 0.03 -0.10 -0.10 -0.04 2.03 1.83 1a49H1 PRO 5245 HD2 0.13 0.13 0.11 -0.04 3.68 4.01 1a49H1 PRO 5245 HD3 0.13 0.15 -0.14 -0.04 3.65 3.75 1a49H1 ARG 5246 H 0.13 0.02 0.12 -0.55 8.46 8.17 1a49H1 ARG 5246 HA 0.09 0.14 0.55 -0.75 4.34 4.37 1a49H1 ARG 5246 HB2 -0.16 -0.07 0.13 -0.04 1.90 1.76 1a49H1 ARG 5246 HB3 -0.05 0.04 -0.08 -0.04 1.80 1.66 1a49H1 ARG 5246 HG2 -0.09 -0.01 0.00 -0.04 1.67 1.53 1a49H1 ARG 5246 HG3 -0.80 0.03 0.06 -0.04 1.67 0.92 1a49H1 ARG 5246 HD2 -0.10 -0.01 0.02 -0.04 3.22 3.09 1a49H1 ARG 5246 HD3 -0.07 -0.00 0.03 -0.04 3.22 3.14 1a49H1 ALA 5247 H 0.01 -0.10 -0.05 -0.55 8.40 7.71 1a49H1 ALA 5247 HA -0.03 0.11 0.38 -0.75 4.34 4.04 1a49H1 ALA 5247 HB3 -0.01 0.03 -0.24 -0.04 1.41 1.15 1a49H1 PRO 5248 HA 0.03 0.12 0.34 -0.51 4.44 4.43 1a49H1 PRO 5248 HB2 -0.79 -0.03 -0.14 -0.04 2.28 1.28 1a49H1 PRO 5248 HB3 -1.12 0.00 0.04 -0.04 2.02 0.90 1a49H1 PRO 5248 HG2 -0.31 -0.00 0.17 -0.04 2.03 1.84 1a49H1 PRO 5248 HG3 -0.85 -0.02 0.13 -0.04 2.03 1.25 1a49H1 PRO 5248 HD2 -0.10 0.33 0.25 -0.04 3.68 4.12 1a49H1 PRO 5248 HD3 -0.20 0.11 0.23 -0.04 3.65 3.75 1a49H1 ILE 5249 H 0.25 0.68 0.28 -0.55 8.25 8.91 1a49H1 ILE 5249 HA 0.06 0.16 1.05 -0.75 4.18 4.70 1a49H1 ILE 5249 HB 0.13 0.11 0.26 -0.04 1.89 2.36 1a49H1 ILE 5249 HG12 0.06 -0.14 -0.10 -0.04 1.49 1.27 1a49H1 ILE 5249 HG13 0.08 0.13 -0.20 -0.04 1.21 1.18 1a49H1 ILE 5249 HG23 0.06 -0.06 -0.22 -0.04 0.93 0.66 1a49H1 ILE 5249 HD13 0.09 0.02 -0.19 -0.04 0.88 0.77 1a49H1 ILE 5250 H 0.08 0.52 0.22 -0.55 8.25 8.51 1a49H1 ILE 5250 HA 0.19 0.23 0.80 -0.75 4.18 4.65 1a49H1 ILE 5250 HB 0.12 -0.09 0.17 -0.04 1.89 2.06 1a49H1 ILE 5250 HG12 0.17 0.07 -0.06 -0.04 1.49 1.62 1a49H1 ILE 5250 HG13 0.07 0.01 -0.12 -0.04 1.21 1.12 1a49H1 ILE 5250 HG23 0.12 -0.01 -0.19 -0.04 0.93 0.81 1a49H1 ILE 5250 HD13 0.27 -0.01 -0.06 -0.04 0.88 1.04 1a49H1 ALA 5251 H 0.11 0.70 0.19 -0.55 8.40 8.86 1a49H1 ALA 5251 HA 0.03 0.21 1.07 -0.75 4.34 4.90 1a49H1 ALA 5251 HB3 0.01 -0.03 -0.07 -0.04 1.41 1.28 1a49H1 VAL 5252 H 0.01 0.50 0.34 -0.55 8.24 8.54 1a49H1 VAL 5252 HA 0.02 0.37 1.03 -0.75 4.13 4.79 1a49H1 VAL 5252 HB -0.01 -0.15 0.11 -0.04 2.12 2.03 1a49H1 VAL 5252 HG13 -0.01 -0.01 -0.03 -0.04 0.97 0.88 1a49H1 VAL 5252 HG23 0.02 0.08 -0.10 -0.04 0.95 0.91 1a49H1 THR 5253 H -0.01 0.74 0.39 -0.55 8.28 8.86 1a49H1 THR 5253 HA -0.00 0.09 0.82 -0.75 4.39 4.54 1a49H1 THR 5253 HB -0.00 0.14 -0.04 -0.04 4.32 4.37 1a49H1 THR 5253 HG23 -0.00 0.01 -0.22 -0.04 1.22 0.96 1a49H1 ARG 5254 H 0.01 0.12 0.23 -0.55 8.46 8.26 1a49H1 ARG 5254 HA -0.04 0.33 0.94 -0.75 4.34 4.82 1a49H1 ARG 5254 HB2 0.04 -0.10 0.09 -0.04 1.90 1.89 1a49H1 ARG 5254 HB3 0.04 0.04 0.18 -0.04 1.80 2.02 1a49H1 ARG 5254 HG2 -0.00 0.30 0.05 -0.04 1.67 1.98 1a49H1 ARG 5254 HG3 0.01 -0.12 -0.03 -0.04 1.67 1.48 1a49H1 ARG 5254 HD2 0.04 -0.12 -0.01 -0.04 3.22 3.09 1a49H1 ARG 5254 HD3 0.04 0.02 0.03 -0.04 3.22 3.26 1a49H1 ASN 5255 H 0.02 0.05 0.02 -0.55 8.53 8.08 1a49H1 ASN 5255 HA 0.14 0.15 0.85 -0.75 4.76 5.15 1a49H1 ASN 5255 HB2 0.06 -0.02 0.16 -0.04 2.88 3.04 1a49H1 ASN 5255 HB3 0.05 0.12 0.26 -0.04 2.79 3.18 1a49H1 ASN 5255 HD21 0.06 0.04 0.03 -0.04 7.03 7.12 1a49H1 ASN 5255 HD22 0.06 -0.01 0.04 -0.04 7.74 7.79 1a49H1 HIS 5256 H 0.44 0.26 0.15 -0.55 8.41 8.71 1a49H1 HIS 5256 HA 0.07 0.11 0.18 -0.75 4.63 4.24 1a49H1 HIS 5256 HB2 0.05 -0.01 0.07 -0.04 3.26 3.33 1a49H1 HIS 5256 HB3 0.08 0.07 0.02 -0.04 3.20 3.32 1a49H1 HIS 5256 HD2 0.04 0.03 -0.02 -0.04 6.97 6.98 1a49H1 HIS 5256 HE1 0.00 0.05 0.05 -0.04 7.75 7.80 1a49H1 GLN 5257 H 0.14 0.06 -0.12 -0.55 8.47 8.02 1a49H1 GLN 5257 HA 0.10 0.14 0.51 -0.75 4.36 4.36 1a49H1 GLN 5257 HB2 0.07 0.05 0.08 -0.04 2.15 2.30 1a49H1 GLN 5257 HB3 0.07 -0.07 0.07 -0.04 2.02 2.06 1a49H1 GLN 5257 HG2 0.07 0.02 -0.22 -0.04 2.40 2.23 1a49H1 GLN 5257 HG3 0.06 0.03 0.04 -0.04 2.39 2.48 1a49H1 GLN 5257 HE21 0.02 -0.05 -0.07 -0.04 6.97 6.83 1a49H1 GLN 5257 HE22 0.03 0.10 -0.03 -0.04 7.69 7.75 1a49H1 THR 5258 H 0.09 0.04 -0.23 -0.55 8.28 7.62 1a49H1 THR 5258 HA 0.10 0.10 0.35 -0.75 4.39 4.18 1a49H1 THR 5258 HB 0.05 0.12 0.07 -0.04 4.32 4.52 1a49H1 THR 5258 HG23 0.02 -0.02 -0.47 -0.04 1.22 0.70 1a49H1 ALA 5259 H 0.06 0.31 -0.32 -0.55 8.40 7.91 1a49H1 ALA 5259 HA 0.01 0.02 0.31 -0.75 4.34 3.93 1a49H1 ALA 5259 HB3 0.06 0.06 -0.06 -0.04 1.41 1.43 1a49H1 ARG 5260 H 0.11 0.40 -0.10 -0.55 8.46 8.32 1a49H1 ARG 5260 HA 0.21 0.13 0.37 -0.75 4.34 4.29 1a49H1 ARG 5260 HB2 0.11 0.02 -0.01 -0.04 1.90 1.98 1a49H1 ARG 5260 HB3 0.13 -0.12 -0.14 -0.04 1.80 1.63 1a49H1 ARG 5260 HG2 0.13 0.05 -0.15 -0.04 1.67 1.67 1a49H1 ARG 5260 HG3 0.15 0.14 0.06 -0.04 1.67 1.97 1a49H1 ARG 5260 HD2 0.09 -0.03 0.04 -0.04 3.22 3.27 1a49H1 ARG 5260 HD3 0.08 0.01 0.07 -0.04 3.22 3.34 1a49H1 GLN 5261 H 0.11 0.54 -0.22 -0.55 8.47 8.36 1a49H1 GLN 5261 HA 0.14 0.00 0.49 -0.75 4.36 4.24 1a49H1 GLN 5261 HB2 0.14 0.03 0.10 -0.04 2.15 2.38 1a49H1 GLN 5261 HB3 0.15 -0.06 0.07 -0.04 2.02 2.15 1a49H1 GLN 5261 HG2 0.09 -0.08 -0.01 -0.04 2.40 2.36 1a49H1 GLN 5261 HG3 0.09 0.12 0.07 -0.04 2.39 2.63 1a49H1 GLN 5261 HE21 0.05 0.41 0.28 -0.04 6.97 7.67 1a49H1 GLN 5261 HE22 0.05 0.63 0.36 -0.04 7.69 8.69 1a49H1 ALA 5262 H 0.07 0.35 -0.46 -0.55 8.40 7.81 1a49H1 ALA 5262 HA 0.23 -0.06 0.23 -0.75 4.34 3.98 1a49H1 ALA 5262 HB3 -0.04 0.04 0.02 -0.04 1.41 1.38 1a49H1 HIS 5263 H -0.03 0.28 -0.47 -0.55 8.41 7.64 1a49H1 HIS 5263 HA 0.01 0.21 0.34 -0.75 4.63 4.44 1a49H1 HIS 5263 HB2 0.04 0.01 -0.08 -0.04 3.26 3.19 1a49H1 HIS 5263 HB3 0.00 -0.15 -0.02 -0.04 3.20 2.98 1a49H1 HIS 5263 HD2 0.03 0.06 0.11 -0.04 6.97 7.13 1a49H1 HIS 5263 HE1 -0.06 -0.00 0.10 -0.04 7.75 7.75 1a49H1 LEU 5264 H 0.17 0.52 -0.61 -0.55 8.37 7.91 1a49H1 LEU 5264 HA -0.01 -0.10 0.34 -0.75 4.35 3.82 1a49H1 LEU 5264 HB2 0.05 0.38 0.12 -0.04 1.64 2.15 1a49H1 LEU 5264 HB3 -0.56 0.00 -0.10 -0.04 1.64 0.94 1a49H1 LEU 5264 HG -0.20 -0.02 -0.11 -0.04 1.64 1.27 1a49H1 LEU 5264 HD13 0.01 -0.04 -0.15 -0.04 0.93 0.71 1a49H1 LEU 5264 HD23 0.06 -0.03 -0.10 -0.04 0.89 0.79 1a49H1 TYR 5265 H 0.33 0.56 -0.19 -0.55 8.29 8.44 1a49H1 TYR 5265 HA -0.00 0.00 0.72 -0.75 4.56 4.53 1a49H1 TYR 5265 HB2 0.07 0.08 0.03 -0.04 3.06 3.20 1a49H1 TYR 5265 HB3 0.05 0.03 -0.09 -0.04 2.98 2.93 1a49H1 TYR 5265 HD2 -0.03 0.12 -0.00 -0.04 7.15 7.20 1a49H1 TYR 5265 HE2 -0.27 0.07 -0.03 -0.04 6.85 6.59 1a49H1 ARG 5266 H 0.10 0.04 0.14 -0.55 8.46 8.18 1a49H1 ARG 5266 HA 0.05 0.22 0.41 -0.75 4.34 4.26 1a49H1 ARG 5266 HB2 0.04 -0.04 0.14 -0.04 1.90 2.00 1a49H1 ARG 5266 HB3 0.09 -0.00 0.11 -0.04 1.80 1.95 1a49H1 ARG 5266 HG2 0.06 0.02 -0.08 -0.04 1.67 1.64 1a49H1 ARG 5266 HG3 0.09 0.03 -0.28 -0.04 1.67 1.47 1a49H1 ARG 5266 HD2 0.07 -0.12 -0.19 -0.04 3.22 2.93 1a49H1 ARG 5266 HD3 0.04 0.12 -0.16 -0.04 3.22 3.18 1a49H1 GLY 5267 H 0.02 0.87 0.39 -0.55 8.43 9.16 1a49H1 GLY 5267 HA2 0.18 -0.06 0.33 -0.51 4.01 3.95 1a49H1 GLY 5267 HA3 0.16 0.08 0.30 -0.51 4.01 4.04 1a49H1 ILE 5268 H -0.01 0.37 -0.19 -0.55 8.25 7.87 1a49H1 ILE 5268 HA 0.15 0.22 1.10 -0.75 4.18 4.89 1a49H1 ILE 5268 HB 0.04 0.20 0.03 -0.04 1.89 2.12 1a49H1 ILE 5268 HG12 0.09 0.06 -0.24 -0.04 1.49 1.35 1a49H1 ILE 5268 HG13 0.14 0.12 -0.30 -0.04 1.21 1.13 1a49H1 ILE 5268 HG23 0.02 -0.06 -0.19 -0.04 0.93 0.65 1a49H1 ILE 5268 HD13 0.03 -0.05 -0.26 -0.04 0.88 0.55 1a49H1 PHE 5269 H 0.39 1.01 0.32 -0.55 8.34 9.51 1a49H1 PHE 5269 HA 0.02 0.24 0.91 -0.75 4.62 5.03 1a49H1 PHE 5269 HB2 0.11 -0.13 0.07 -0.04 3.15 3.16 1a49H1 PHE 5269 HB3 0.15 0.06 0.00 -0.04 3.06 3.23 1a49H1 PHE 5269 HD2 0.12 0.07 -0.15 -0.04 7.28 7.28 1a49H1 PHE 5269 HE2 0.04 -0.04 -0.07 -0.04 7.38 7.27 1a49H1 PHE 5269 HZ -0.07 -0.04 -0.36 -0.04 7.32 6.81 1a49H1 PRO 5270 HA 0.03 0.11 0.58 -0.51 4.44 4.65 1a49H1 PRO 5270 HB2 -0.01 -0.11 -0.01 -0.04 2.28 2.11 1a49H1 PRO 5270 HB3 -0.06 -0.06 0.12 -0.04 2.02 1.98 1a49H1 PRO 5270 HG2 -0.16 0.03 0.13 -0.04 2.03 1.99 1a49H1 PRO 5270 HG3 -0.59 0.08 0.11 -0.04 2.03 1.59 1a49H1 PRO 5270 HD2 -0.06 0.12 0.25 -0.04 3.68 3.95 1a49H1 PRO 5270 HD3 -0.30 0.45 0.08 -0.04 3.65 3.84 1a49H1 VAL 5271 H 0.04 0.64 0.40 -0.55 8.24 8.78 1a49H1 VAL 5271 HA 0.08 0.27 0.93 -0.75 4.13 4.67 1a49H1 VAL 5271 HB 0.05 -0.10 0.07 -0.04 2.12 2.09 1a49H1 VAL 5271 HG13 0.04 -0.02 -0.29 -0.04 0.97 0.66 1a49H1 VAL 5271 HG23 0.09 0.05 -0.19 -0.04 0.95 0.86 1a49H1 VAL 5272 H 0.08 0.26 0.07 -0.55 8.24 8.11 1a49H1 VAL 5272 HA -0.06 0.24 0.74 -0.75 4.13 4.30 1a49H1 VAL 5272 HB -0.09 0.02 0.02 -0.04 2.12 2.03 1a49H1 VAL 5272 HG13 -0.52 -0.02 -0.24 -0.04 0.97 0.14 1a49H1 VAL 5272 HG23 -0.03 0.00 -0.11 -0.04 0.95 0.77 1a49H1 CYS 5273 H -0.06 0.67 0.33 -0.55 8.50 8.90 1a49H1 CYS 5273 HA -0.02 0.13 0.83 -0.75 4.58 4.76 1a49H1 CYS 5273 HB2 -0.02 0.03 0.00 -0.04 2.97 2.94 1a49H1 CYS 5273 HB3 -0.02 -0.07 -0.02 -0.04 2.97 2.81 1a49H1 LYS 5274 H -0.02 0.20 0.16 -0.55 8.42 8.21 1a49H1 LYS 5274 HA 0.00 0.20 0.82 -0.75 4.32 4.59 1a49H1 LYS 5274 HB2 -0.02 0.01 0.09 -0.04 1.87 1.91 1a49H1 LYS 5274 HB3 0.00 -0.03 0.12 -0.04 1.79 1.84 1a49H1 LYS 5274 HG2 0.02 -0.02 -0.03 -0.04 1.46 1.39 1a49H1 LYS 5274 HG3 -0.06 0.01 -0.29 -0.04 1.46 1.08 1a49H1 LYS 5274 HD2 -0.05 0.03 0.01 -0.04 1.69 1.64 1a49H1 LYS 5274 HD3 -0.04 -0.03 0.00 -0.04 1.68 1.57 1a49H1 LYS 5274 HE2 -0.09 -0.06 -0.05 -0.04 2.99 2.75 1a49H1 LYS 5274 HE3 -0.16 0.09 -0.03 -0.04 2.99 2.84 1a49H1 ASP 5275 H -0.01 -0.04 -0.10 -0.55 8.40 7.70 1a49H1 ASP 5275 HA -0.00 0.10 0.39 -0.75 4.63 4.37 1a49H1 ASP 5275 HB2 -0.01 -0.07 -0.07 -0.04 2.71 2.52 1a49H1 ASP 5275 HB3 -0.01 0.11 0.05 -0.04 2.70 2.81 1a49H1 PRO 5276 HA 0.02 0.14 0.60 -0.51 4.44 4.69 1a49H1 PRO 5276 HB2 0.01 0.05 -0.12 -0.04 2.28 2.17 1a49H1 PRO 5276 HB3 0.01 0.05 0.06 -0.04 2.02 2.10 1a49H1 PRO 5276 HG2 0.00 -0.01 -0.00 -0.04 2.03 1.98 1a49H1 PRO 5276 HG3 0.00 0.05 0.05 -0.04 2.03 2.10 1a49H1 PRO 5276 HD2 -0.00 0.05 0.18 -0.04 3.68 3.86 1a49H1 PRO 5276 HD3 0.00 0.15 0.22 -0.04 3.65 3.98 1a49H1 VAL 5277 H 0.02 0.13 0.12 -0.55 8.24 7.96 1a49H1 VAL 5277 HA 0.02 -0.01 0.28 -0.75 4.13 3.67 1a49H1 VAL 5277 HB 0.04 -0.01 0.10 -0.04 2.12 2.21 1a49H1 VAL 5277 HG13 0.09 0.00 -0.22 -0.04 0.97 0.80 1a49H1 VAL 5277 HG23 0.05 0.01 0.04 -0.04 0.95 1.01 1a49H1 GLN 5278 H 0.01 0.08 0.14 -0.55 8.47 8.15 1a49H1 GLN 5278 HA 0.01 0.11 0.47 -0.75 4.36 4.20 1a49H1 GLN 5278 HB2 -0.02 -0.04 0.02 -0.04 2.15 2.07 1a49H1 GLN 5278 HB3 -0.00 -0.17 -0.05 -0.04 2.02 1.76 1a49H1 GLN 5278 HG2 -0.03 0.08 -0.06 -0.04 2.40 2.34 1a49H1 GLN 5278 HG3 -0.02 -0.03 -0.04 -0.04 2.39 2.25 1a49H1 GLN 5278 HE21 -0.00 0.04 -0.03 -0.04 6.97 6.94 1a49H1 GLN 5278 HE22 -0.01 -0.07 0.01 -0.04 7.69 7.59 1a49H1 GLU 5279 H 0.02 0.16 0.17 -0.55 8.60 8.40 1a49H1 GLU 5279 HA 0.03 0.11 0.35 -0.75 4.29 4.03 1a49H1 GLU 5279 HB2 0.02 0.01 0.03 -0.04 2.09 2.11 1a49H1 GLU 5279 HB3 0.01 0.06 0.13 -0.04 1.99 2.15 1a49H1 GLU 5279 HG2 0.01 0.03 0.12 -0.04 2.34 2.45 1a49H1 GLU 5279 HG3 0.01 -0.16 0.05 -0.04 2.34 2.20 1a49H1 ALA 5280 H 0.02 0.05 -0.24 -0.55 8.40 7.68 1a49H1 ALA 5280 HA 0.06 0.22 0.95 -0.75 4.34 4.82 1a49H1 ALA 5280 HB3 0.01 0.02 0.05 -0.04 1.41 1.44 1a49H1 TRP 5281 H 0.21 0.29 0.16 -0.55 7.97 8.09 1a49H1 TRP 5281 HA -0.07 0.09 0.31 -0.75 4.62 4.20 1a49H1 TRP 5281 HB2 -0.09 0.08 0.17 -0.04 3.23 3.35 1a49H1 TRP 5281 HB3 -0.13 -0.01 0.17 -0.04 3.23 3.22 1a49H1 TRP 5281 HD1 -0.28 0.07 -0.04 -0.04 7.22 6.93 1a49H1 TRP 5281 HE1 -0.20 0.32 -0.63 -0.04 10.20 9.66 1a49H1 TRP 5281 HE3 -0.05 0.05 0.01 -0.04 7.59 7.55 1a49H1 TRP 5281 HZ2 -0.06 -0.00 -0.27 -0.04 7.44 7.07 1a49H1 TRP 5281 HZ3 -0.03 0.03 -0.02 -0.04 7.13 7.07 1a49H1 TRP 5281 HH2 -0.03 -0.06 -0.03 -0.04 7.19 7.03 1a49H1 ALA 5282 H 0.04 0.12 -0.13 -0.55 8.40 7.88 1a49H1 ALA 5282 HA -0.26 0.12 0.31 -0.75 4.34 3.75 1a49H1 ALA 5282 HB3 -0.08 0.02 0.02 -0.04 1.41 1.34 1a49H1 GLU 5283 H -0.07 0.19 -0.36 -0.55 8.60 7.82 1a49H1 GLU 5283 HA -0.10 0.13 0.57 -0.75 4.29 4.14 1a49H1 GLU 5283 HB2 -0.04 -0.00 0.04 -0.04 2.09 2.04 1a49H1 GLU 5283 HB3 -0.05 0.04 0.08 -0.04 1.99 2.02 1a49H1 GLU 5283 HG2 -0.04 0.05 -0.05 -0.04 2.34 2.25 1a49H1 GLU 5283 HG3 -0.04 -0.12 0.01 -0.04 2.34 2.16 1a49H1 ASP 5284 H -0.13 0.58 -0.09 -0.55 8.40 8.21 1a49H1 ASP 5284 HA -0.11 0.01 0.37 -0.75 4.63 4.15 1a49H1 ASP 5284 HB2 -0.04 0.10 0.02 -0.04 2.71 2.75 1a49H1 ASP 5284 HB3 -0.38 0.04 0.13 -0.04 2.70 2.45 1a49H1 VAL 5285 H -0.56 0.67 -0.04 -0.55 8.24 7.75 1a49H1 VAL 5285 HA -0.41 -0.02 0.35 -0.75 4.13 3.31 1a49H1 VAL 5285 HB -0.56 0.10 0.11 -0.04 2.12 1.73 1a49H1 VAL 5285 HG13 -0.27 0.01 -0.20 -0.04 0.97 0.46 1a49H1 VAL 5285 HG23 -1.29 -0.00 -0.02 -0.04 0.95 -0.41 1a49H1 ASP 5286 H -0.23 0.63 -0.16 -0.55 8.40 8.10 1a49H1 ASP 5286 HA -0.12 -0.00 0.30 -0.75 4.63 4.06 1a49H1 ASP 5286 HB2 -0.12 0.17 0.30 -0.04 2.71 3.02 1a49H1 ASP 5286 HB3 -0.08 -0.03 0.03 -0.04 2.70 2.58 1a49H1 LEU 5287 H -0.12 0.82 -0.26 -0.55 8.37 8.26 1a49H1 LEU 5287 HA -0.05 -0.04 0.31 -0.75 4.35 3.82 1a49H1 LEU 5287 HB2 -0.07 0.05 0.15 -0.04 1.64 1.73 1a49H1 LEU 5287 HB3 -0.08 0.14 0.16 -0.04 1.64 1.82 1a49H1 LEU 5287 HG -0.03 -0.04 0.04 -0.04 1.64 1.57 1a49H1 LEU 5287 HD13 -0.03 -0.01 -0.02 -0.04 0.93 0.83 1a49H1 LEU 5287 HD23 -0.03 -0.02 -0.17 -0.04 0.89 0.63 1a49H1 ARG 5288 H -0.12 0.54 -0.04 -0.55 8.46 8.28 1a49H1 ARG 5288 HA -0.04 0.01 0.49 -0.75 4.34 4.04 1a49H1 ARG 5288 HB2 -0.12 0.05 0.10 -0.04 1.90 1.89 1a49H1 ARG 5288 HB3 -0.06 -0.04 0.00 -0.04 1.80 1.67 1a49H1 ARG 5288 HG2 -0.06 -0.03 -0.05 -0.04 1.67 1.49 1a49H1 ARG 5288 HG3 -0.11 0.23 0.04 -0.04 1.67 1.80 1a49H1 ARG 5288 HD2 -0.07 -0.00 -0.09 -0.04 3.22 3.02 1a49H1 ARG 5288 HD3 -0.05 -0.03 -0.11 -0.04 3.22 2.99 1a49H1 VAL 5289 H -0.09 0.74 -0.04 -0.55 8.24 8.30 1a49H1 VAL 5289 HA -0.03 0.04 0.36 -0.75 4.13 3.74 1a49H1 VAL 5289 HB -0.07 0.07 0.05 -0.04 2.12 2.13 1a49H1 VAL 5289 HG13 -0.04 -0.01 -0.13 -0.04 0.97 0.75 1a49H1 VAL 5289 HG23 -0.09 0.05 -0.11 -0.04 0.95 0.75 1a49H1 ASN 5290 H -0.04 0.57 -0.30 -0.55 8.53 8.22 1a49H1 ASN 5290 HA 0.00 0.04 0.42 -0.75 4.76 4.47 1a49H1 ASN 5290 HB2 -0.03 0.16 0.11 -0.04 2.88 3.07 1a49H1 ASN 5290 HB3 -0.01 -0.04 -0.04 -0.04 2.79 2.66 1a49H1 ASN 5290 HD21 -0.03 -0.01 -0.05 -0.04 7.03 6.90 1a49H1 ASN 5290 HD22 -0.04 0.11 -0.02 -0.04 7.74 7.75 1a49H1 LEU 5291 H -0.01 0.54 -0.05 -0.55 8.37 8.30 1a49H1 LEU 5291 HA 0.01 -0.01 0.46 -0.75 4.35 4.05 1a49H1 LEU 5291 HB2 -0.01 0.03 0.15 -0.04 1.64 1.77 1a49H1 LEU 5291 HB3 -0.00 0.21 0.16 -0.04 1.64 1.97 1a49H1 LEU 5291 HG 0.01 0.06 -0.17 -0.04 1.64 1.50 1a49H1 LEU 5291 HD13 0.01 -0.00 0.05 -0.04 0.93 0.95 1a49H1 LEU 5291 HD23 -0.01 0.01 -0.03 -0.04 0.89 0.82 1a49H1 ALA 5292 H 0.02 0.46 -0.38 -0.55 8.40 7.95 1a49H1 ALA 5292 HA 0.07 0.08 0.32 -0.75 4.34 4.05 1a49H1 ALA 5292 HB3 0.08 0.03 0.00 -0.04 1.41 1.48 1a49H1 MET 5293 H 0.07 0.25 -0.33 -0.55 8.47 7.92 1a49H1 MET 5293 HA 0.38 0.03 0.41 -0.75 4.52 4.58 1a49H1 MET 5293 HB2 0.05 0.06 0.17 -0.04 2.15 2.39 1a49H1 MET 5293 HB3 0.11 -0.04 0.01 -0.04 2.03 2.06 1a49H1 MET 5293 HG2 0.03 0.17 -0.02 -0.04 2.63 2.77 1a49H1 MET 5293 HG3 -0.01 -0.08 -0.08 -0.04 2.56 2.35 1a49H1 MET 5293 HE3 -0.09 -0.00 -0.20 -0.04 2.10 1.76 1a49H1 ASN 5294 H 0.05 0.65 -0.07 -0.55 8.53 8.62 1a49H1 ASN 5294 HA 0.02 0.01 0.40 -0.75 4.76 4.44 1a49H1 ASN 5294 HB2 0.01 0.12 0.18 -0.04 2.88 3.15 1a49H1 ASN 5294 HB3 -0.00 -0.06 0.07 -0.04 2.79 2.76 1a49H1 ASN 5294 HD21 0.01 -0.10 -0.08 -0.04 7.03 6.82 1a49H1 ASN 5294 HD22 0.01 -0.03 -0.10 -0.04 7.74 7.57 1a49H1 VAL 5295 H 0.01 0.53 -0.14 -0.55 8.24 8.09 1a49H1 VAL 5295 HA -0.08 -0.00 0.38 -0.75 4.13 3.67 1a49H1 VAL 5295 HB 0.02 0.06 0.16 -0.04 2.12 2.33 1a49H1 VAL 5295 HG13 -0.01 0.02 -0.17 -0.04 0.97 0.76 1a49H1 VAL 5295 HG23 0.01 0.02 0.09 -0.04 0.95 1.03 1a49H1 GLY 5296 H -0.07 0.66 -0.10 -0.55 8.43 8.37 1a49H1 GLY 5296 HA2 -0.61 0.02 0.31 -0.51 4.01 3.22 1a49H1 GLY 5296 HA3 -1.25 0.06 0.23 -0.51 4.01 2.55 1a49H1 LYS 5297 H -0.21 0.49 -0.41 -0.55 8.42 7.75 1a49H1 LYS 5297 HA -0.18 0.30 0.50 -0.75 4.32 4.18 1a49H1 LYS 5297 HB2 0.01 0.20 0.26 -0.04 1.87 2.30 1a49H1 LYS 5297 HB3 -0.03 -0.10 0.08 -0.04 1.79 1.71 1a49H1 LYS 5297 HG2 0.08 -0.14 0.06 -0.04 1.46 1.42 1a49H1 LYS 5297 HG3 0.25 0.10 -0.04 -0.04 1.46 1.73 1a49H1 LYS 5297 HD2 0.24 -0.07 -0.14 -0.04 1.69 1.68 1a49H1 LYS 5297 HD3 0.13 0.04 -0.23 -0.04 1.68 1.59 1a49H1 LYS 5297 HE2 0.05 -0.07 -0.03 -0.04 2.99 2.90 1a49H1 LYS 5297 HE3 0.07 0.11 -0.09 -0.04 2.99 3.04 1a49H1 ALA 5298 H -0.15 0.97 0.13 -0.55 8.40 8.81 1a49H1 ALA 5298 HA -0.11 -0.05 0.34 -0.75 4.34 3.76 1a49H1 ALA 5298 HB3 -0.09 -0.03 0.07 -0.04 1.41 1.31 1a49H1 ARG 5299 H -0.38 1.08 -0.02 -0.55 8.46 8.58 1a49H1 ARG 5299 HA -0.33 0.00 0.42 -0.75 4.34 3.67 1a49H1 ARG 5299 HB2 -1.01 0.05 0.01 -0.04 1.90 0.91 1a49H1 ARG 5299 HB3 -1.67 -0.05 -0.02 -0.04 1.80 0.01 1a49H1 ARG 5299 HG2 -0.25 -0.06 -0.03 -0.04 1.67 1.29 1a49H1 ARG 5299 HG3 -0.27 -0.03 -0.10 -0.04 1.67 1.23 1a49H1 ARG 5299 HD2 -0.23 -0.03 -0.02 -0.04 3.22 2.89 1a49H1 ARG 5299 HD3 -0.09 -0.00 -0.02 -0.04 3.22 3.07 1a49H1 GLY 5300 H -0.37 0.39 -0.77 -0.55 8.43 7.14 1a49H1 GLY 5300 HA2 -0.15 0.03 0.30 -0.51 4.01 3.68 1a49H1 GLY 5300 HA3 -0.15 0.02 0.54 -0.51 4.01 3.91 1a49H1 PHE 5301 H -0.60 0.71 0.09 -0.55 8.34 7.99 1a49H1 PHE 5301 HA -0.16 0.04 0.58 -0.75 4.62 4.33 1a49H1 PHE 5301 HB2 -0.79 -0.10 0.04 -0.04 3.15 2.26 1a49H1 PHE 5301 HB3 -0.23 0.06 0.07 -0.04 3.06 2.92 1a49H1 PHE 5301 HD2 -0.27 -0.03 -0.16 -0.04 7.28 6.78 1a49H1 PHE 5301 HE2 -0.23 0.02 -0.16 -0.04 7.38 6.98 1a49H1 PHE 5301 HZ -0.14 0.04 -0.05 -0.04 7.32 7.13 1a49H1 PHE 5302 H -0.31 0.38 -0.13 -0.55 8.34 7.72 1a49H1 PHE 5302 HA 0.03 0.07 0.37 -0.75 4.62 4.34 1a49H1 PHE 5302 HB2 0.02 -0.05 -0.01 -0.04 3.15 3.06 1a49H1 PHE 5302 HB3 0.04 0.22 0.01 -0.04 3.06 3.29 1a49H1 PHE 5302 HD2 0.03 0.10 -0.50 -0.04 7.28 6.86 1a49H1 PHE 5302 HE2 0.03 0.07 -0.12 -0.04 7.38 7.31 1a49H1 PHE 5302 HZ 0.03 0.10 -0.11 -0.04 7.32 7.30 1a49H1 LYS 5303 H 0.19 0.17 0.13 -0.55 8.42 8.35 1a49H1 LYS 5303 HA 0.13 0.20 0.89 -0.75 4.32 4.80 1a49H1 LYS 5303 HB2 0.05 0.11 0.02 -0.04 1.87 2.00 1a49H1 LYS 5303 HB3 0.05 0.03 0.05 -0.04 1.79 1.88 1a49H1 LYS 5303 HG2 0.06 0.03 -0.10 -0.04 1.46 1.41 1a49H1 LYS 5303 HG3 0.07 -0.04 0.03 -0.04 1.46 1.48 1a49H1 LYS 5303 HD2 0.03 0.03 -0.03 -0.04 1.69 1.68 1a49H1 LYS 5303 HD3 0.03 -0.02 -0.02 -0.04 1.68 1.63 1a49H1 LYS 5303 HE2 0.04 0.03 -0.03 -0.04 2.99 2.99 1a49H1 LYS 5303 HE3 0.03 -0.02 -0.02 -0.04 2.99 2.94 1a49H1 LYS 5304 H 0.06 0.11 0.08 -0.55 8.42 8.12 1a49H1 LYS 5304 HA 0.02 0.05 0.25 -0.75 4.32 3.88 1a49H1 LYS 5304 HB2 0.02 0.23 -0.02 -0.04 1.87 2.07 1a49H1 LYS 5304 HB3 0.03 -0.08 0.14 -0.04 1.79 1.84 1a49H1 LYS 5304 HG2 0.01 -0.04 -0.21 -0.04 1.46 1.18 1a49H1 LYS 5304 HG3 0.00 0.12 -0.11 -0.04 1.46 1.42 1a49H1 LYS 5304 HD2 0.01 -0.05 -0.00 -0.04 1.69 1.60 1a49H1 LYS 5304 HD3 0.01 -0.02 -0.02 -0.04 1.68 1.60 1a49H1 LYS 5304 HE2 -0.00 0.03 -0.04 -0.04 2.99 2.94 1a49H1 LYS 5304 HE3 -0.00 -0.04 0.00 -0.04 2.99 2.91 1a49H1 GLY 5305 H -0.02 0.46 0.29 -0.55 8.43 8.61 1a49H1 GLY 5305 HA2 -0.01 -0.05 0.39 -0.51 4.01 3.83 1a49H1 GLY 5305 HA3 0.00 0.13 0.74 -0.51 4.01 4.37 1a49H1 ASP 5306 H 0.00 0.56 -0.16 -0.55 8.40 8.25 1a49H1 ASP 5306 HA -0.01 0.11 0.63 -0.75 4.63 4.60 1a49H1 ASP 5306 HB2 0.01 0.07 0.13 -0.04 2.71 2.88 1a49H1 ASP 5306 HB3 0.00 0.02 0.16 -0.04 2.70 2.84 1a49H1 VAL 5307 H -0.04 0.22 0.24 -0.55 8.24 8.11 1a49H1 VAL 5307 HA -0.09 0.27 1.20 -0.75 4.13 4.75 1a49H1 VAL 5307 HB -0.03 0.10 0.06 -0.04 2.12 2.20 1a49H1 VAL 5307 HG13 -0.05 -0.04 -0.25 -0.04 0.97 0.59 1a49H1 VAL 5307 HG23 -0.04 0.00 -0.19 -0.04 0.95 0.69 1a49H1 VAL 5308 H -0.11 0.68 0.35 -0.55 8.24 8.62 1a49H1 VAL 5308 HA -0.10 0.14 1.09 -0.75 4.13 4.51 1a49H1 VAL 5308 HB -0.30 0.02 -0.16 -0.04 2.12 1.64 1a49H1 VAL 5308 HG13 -0.15 -0.01 -0.29 -0.04 0.97 0.48 1a49H1 VAL 5308 HG23 -0.38 0.03 -0.21 -0.04 0.95 0.36 1a49H1 ILE 5309 H -0.05 0.66 0.42 -0.55 8.25 8.73 1a49H1 ILE 5309 HA -0.04 0.19 0.94 -0.75 4.18 4.52 1a49H1 ILE 5309 HB -0.03 -0.01 0.12 -0.04 1.89 1.92 1a49H1 ILE 5309 HG12 -0.05 0.07 0.01 -0.04 1.49 1.47 1a49H1 ILE 5309 HG13 -0.06 0.09 -0.05 -0.04 1.21 1.15 1a49H1 ILE 5309 HG23 -0.03 -0.02 -0.15 -0.04 0.93 0.70 1a49H1 ILE 5309 HD13 -0.04 -0.02 -0.27 -0.04 0.88 0.51 1a49H1 VAL 5310 H -0.02 0.42 0.35 -0.55 8.24 8.43 1a49H1 VAL 5310 HA -0.02 0.22 1.14 -0.75 4.13 4.71 1a49H1 VAL 5310 HB -0.03 0.00 0.06 -0.04 2.12 2.12 1a49H1 VAL 5310 HG13 -0.03 -0.02 -0.21 -0.04 0.97 0.67 1a49H1 VAL 5310 HG23 -0.05 0.02 -0.42 -0.04 0.95 0.45 1a49H1 LEU 5311 H -0.00 0.84 0.41 -0.55 8.37 9.08 1a49H1 LEU 5311 HA 0.01 0.35 1.03 -0.75 4.35 4.98 1a49H1 LEU 5311 HB2 0.01 0.07 0.17 -0.04 1.64 1.85 1a49H1 LEU 5311 HB3 0.02 -0.11 -0.01 -0.04 1.64 1.50 1a49H1 LEU 5311 HG 0.01 -0.07 -0.22 -0.04 1.64 1.31 1a49H1 LEU 5311 HD13 0.02 0.01 -0.13 -0.04 0.93 0.80 1a49H1 LEU 5311 HD23 0.03 0.05 -0.13 -0.04 0.89 0.79 1a49H1 THR 5312 H 0.02 0.78 0.36 -0.55 8.28 8.89 1a49H1 THR 5312 HA -0.00 0.12 0.91 -0.75 4.39 4.67 1a49H1 THR 5312 HB -0.05 -0.06 -0.01 -0.04 4.32 4.17 1a49H1 THR 5312 HG23 -0.07 0.00 -0.30 -0.04 1.22 0.81 1a49H1 GLY 5313 H 0.10 0.16 0.11 -0.55 8.43 8.25 1a49H1 GLY 5313 HA2 0.06 0.03 0.70 -0.51 4.01 4.30 1a49H1 GLY 5313 HA3 0.26 -0.00 0.28 -0.51 4.01 4.03 1a49H1 TRP 5314 H 0.24 0.14 0.19 -0.55 7.97 7.98 1a49H1 TRP 5314 HA 0.12 0.12 0.44 -0.75 4.62 4.54 1a49H1 TRP 5314 HB2 -0.01 0.06 0.07 -0.04 3.23 3.30 1a49H1 TRP 5314 HB3 -0.03 -0.02 0.14 -0.04 3.23 3.28 1a49H1 TRP 5314 HD1 -0.01 -0.01 -0.12 -0.04 7.22 7.04 1a49H1 TRP 5314 HE1 0.01 -0.01 -0.02 -0.04 10.20 10.13 1a49H1 TRP 5314 HE3 0.02 0.01 -0.01 -0.04 7.59 7.56 1a49H1 TRP 5314 HZ2 0.02 -0.02 0.01 -0.04 7.44 7.41 1a49H1 TRP 5314 HZ3 0.01 0.02 -0.01 -0.04 7.13 7.11 1a49H1 TRP 5314 HH2 0.01 -0.00 0.01 -0.04 7.19 7.17 1a49H1 ARG 5315 H 0.13 0.02 -0.17 -0.55 8.46 7.89 1a49H1 ARG 5315 HA -0.50 0.24 0.83 -0.75 4.34 4.16 1a49H1 ARG 5315 HB2 -0.08 0.01 -0.12 -0.04 1.90 1.67 1a49H1 ARG 5315 HB3 -0.34 0.06 0.05 -0.04 1.80 1.54 1a49H1 ARG 5315 HG2 -0.46 0.39 -0.41 -0.04 1.67 1.15 1a49H1 ARG 5315 HG3 0.36 -0.10 -0.35 -0.04 1.67 1.54 1a49H1 ARG 5315 HD2 0.03 0.01 -0.03 -0.04 3.22 3.18 1a49H1 ARG 5315 HD3 -0.13 -0.02 0.00 -0.04 3.22 3.04 1a49H1 PRO 5316 HA -2.06 -0.04 0.47 -0.51 4.44 2.30 1a49H1 PRO 5316 HB2 -0.53 0.07 0.06 -0.04 2.28 1.84 1a49H1 PRO 5316 HB3 -0.78 0.02 0.10 -0.04 2.02 1.32 1a49H1 PRO 5316 HG2 -0.55 0.07 0.11 -0.04 2.03 1.62 1a49H1 PRO 5316 HG3 -0.87 0.00 0.10 -0.04 2.03 1.22 1a49H1 PRO 5316 HD2 -0.84 0.13 0.21 -0.04 3.68 3.14 1a49H1 PRO 5316 HD3 -3.06 0.11 0.08 -0.04 3.65 0.74 1a49H1 GLY 5317 H -0.25 0.05 0.17 -0.55 8.43 7.85 1a49H1 GLY 5317 HA2 -0.04 -0.11 0.42 -0.51 4.01 3.78 1a49H1 GLY 5317 HA3 -0.11 0.12 0.31 -0.51 4.01 3.82 1a49H1 SER 5318 H 0.00 0.03 0.13 -0.55 8.46 8.08 1a49H1 SER 5318 HA 0.00 0.29 0.85 -0.75 4.49 4.88 1a49H1 SER 5318 HB2 0.03 0.02 0.19 -0.04 3.95 4.15 1a49H1 SER 5318 HB3 -0.10 0.09 0.22 -0.04 3.93 4.10 1a49H1 GLY 5319 H 0.06 -0.08 0.03 -0.55 8.43 7.89 1a49H1 GLY 5319 HA2 0.11 0.00 0.33 -0.51 4.01 3.94 1a49H1 GLY 5319 HA3 0.20 0.22 0.55 -0.51 4.01 4.47 1a49H1 PHE 5320 H 0.07 0.25 -0.48 -0.55 8.34 7.63 1a49H1 PHE 5320 HA 0.04 0.02 0.39 -0.75 4.62 4.30 1a49H1 PHE 5320 HB2 0.03 -0.02 0.01 -0.04 3.15 3.13 1a49H1 PHE 5320 HB3 0.03 0.19 -0.19 -0.04 3.06 3.04 1a49H1 PHE 5320 HD2 0.03 0.04 -0.30 -0.04 7.28 7.00 1a49H1 PHE 5320 HE2 0.02 0.12 -0.14 -0.04 7.38 7.34 1a49H1 PHE 5320 HZ 0.01 0.05 -0.04 -0.04 7.32 7.30 1a49H1 THR 5321 H 0.13 0.16 0.01 -0.55 8.28 8.03 1a49H1 THR 5321 HA -0.05 0.05 0.10 -0.75 4.39 3.73 1a49H1 THR 5321 HB 0.05 -0.12 0.09 -0.04 4.32 4.31 1a49H1 THR 5321 HG23 0.05 0.04 -0.00 -0.04 1.22 1.26 1a49H1 ASN 5322 H -0.36 0.19 0.34 -0.55 8.53 8.15 1a49H1 ASN 5322 HA -0.21 0.18 0.80 -0.75 4.76 4.78 1a49H1 ASN 5322 HB2 -0.23 0.02 0.22 -0.04 2.88 2.85 1a49H1 ASN 5322 HB3 -1.45 -0.02 0.03 -0.04 2.79 1.31 1a49H1 ASN 5322 HD21 0.01 -0.10 0.12 -0.04 7.03 7.02 1a49H1 ASN 5322 HD22 -0.18 0.07 0.09 -0.04 7.74 7.67 1a49H1 THR 5323 H -0.02 0.38 -0.15 -0.55 8.28 7.94 1a49H1 THR 5323 HA 0.03 0.15 0.86 -0.75 4.39 4.67 1a49H1 THR 5323 HB 0.14 -0.01 -0.14 -0.04 4.32 4.27 1a49H1 THR 5323 HG23 0.21 0.02 -0.21 -0.04 1.22 1.20 1a49H1 MET 5324 H 0.02 0.21 0.15 -0.55 8.47 8.30 1a49H1 MET 5324 HA 0.01 0.40 1.01 -0.75 4.52 5.19 1a49H1 MET 5324 HB2 0.01 -0.03 -0.11 -0.04 2.15 1.97 1a49H1 MET 5324 HB3 -0.00 -0.02 -0.03 -0.04 2.03 1.94 1a49H1 MET 5324 HG2 -0.00 0.02 -0.08 -0.04 2.63 2.53 1a49H1 MET 5324 HG3 -0.01 0.02 -0.11 -0.04 2.56 2.43 1a49H1 MET 5324 HE3 -0.02 -0.00 -0.17 -0.04 2.10 1.87 1a49H1 ARG 5325 H -0.01 0.34 0.33 -0.55 8.46 8.58 1a49H1 ARG 5325 HA -0.00 0.10 0.87 -0.75 4.34 4.55 1a49H1 ARG 5325 HB2 -0.01 -0.00 -0.05 -0.04 1.90 1.80 1a49H1 ARG 5325 HB3 -0.01 0.12 -0.26 -0.04 1.80 1.61 1a49H1 ARG 5325 HG2 0.02 0.01 0.01 -0.04 1.67 1.67 1a49H1 ARG 5325 HG3 0.04 -0.02 -0.52 -0.04 1.67 1.13 1a49H1 ARG 5325 HD2 0.00 0.04 -0.12 -0.04 3.22 3.11 1a49H1 ARG 5325 HD3 0.04 -0.04 -0.09 -0.04 3.22 3.09 1a49H1 VAL 5326 H -0.02 0.15 0.16 -0.55 8.24 7.98 1a49H1 VAL 5326 HA -0.04 0.24 0.81 -0.75 4.13 4.38 1a49H1 VAL 5326 HB -0.03 -0.03 0.01 -0.04 2.12 2.04 1a49H1 VAL 5326 HG13 -0.02 -0.01 0.08 -0.04 0.97 0.98 1a49H1 VAL 5326 HG23 -0.03 0.01 -0.08 -0.04 0.95 0.80 1a49H1 VAL 5327 H -0.06 0.92 0.44 -0.55 8.24 9.00 1a49H1 VAL 5327 HA -0.04 0.19 0.99 -0.75 4.13 4.52 1a49H1 VAL 5327 HB -0.07 0.02 -0.08 -0.04 2.12 1.95 1a49H1 VAL 5327 HG13 -0.07 -0.02 -0.29 -0.04 0.97 0.56 1a49H1 VAL 5327 HG23 -0.03 -0.04 -0.38 -0.04 0.95 0.45 1a49H1 PRO 5328 HA -0.08 0.31 0.52 -0.51 4.44 4.68 1a49H1 PRO 5328 HB2 -0.04 0.04 -0.07 -0.04 2.28 2.18 1a49H1 PRO 5328 HB3 -0.04 0.04 0.05 -0.04 2.02 2.03 1a49H1 PRO 5328 HG2 -0.03 -0.01 0.05 -0.04 2.03 1.99 1a49H1 PRO 5328 HG3 -0.03 0.02 0.05 -0.04 2.03 2.03 1a49H1 PRO 5328 HD2 -0.04 0.07 0.18 -0.04 3.68 3.85 1a49H1 PRO 5328 HD3 -0.04 0.18 0.20 -0.04 3.65 3.95 1a49H1 VAL 5329 H -0.12 0.59 0.20 -0.55 8.24 8.36 1a49H1 VAL 5329 HA -0.15 0.09 0.42 -0.75 4.13 3.73 1a49H1 VAL 5329 HB -0.06 -0.14 0.14 -0.04 2.12 2.02 1a49H1 VAL 5329 HG13 0.06 0.04 -0.38 -0.04 0.97 0.65 1a49H1 VAL 5329 HG23 -0.50 0.04 -0.19 -0.04 0.95 0.25 1a49H1 PRO 5330 HA -0.02 0.16 0.40 -0.51 4.44 4.47 1a49H1 PRO 5330 HB2 -0.00 -0.00 0.05 -0.04 2.28 2.28 1a49H1 PRO 5330 HB3 -0.02 0.02 0.04 -0.04 2.02 2.02 1a49H1 PRO 5330 HG2 -0.01 -0.00 0.03 -0.04 2.03 2.00 1a49H1 PRO 5330 HG3 -0.03 0.05 0.01 -0.04 2.03 2.02 1a49H1 PRO 5330 HD2 -0.05 0.06 0.14 -0.04 3.68 3.80 1a49H1 PRO 5330 HD3 -0.07 0.55 0.25 -0.04 3.65 4.34