============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. TYR 16 0.840 109.871 157.556 77.526 -99.200 -91.000 TRP 24 1.040 112.560 167.412 81.048 -99.200 -91.000 TRP6 24 1.020 112.728 169.718 80.545 -99.200 -91.000 HIS 32 0.900 107.509 168.025 77.336 -99.200 -91.000 HIS 35 0.900 114.929 161.031 68.138 -99.200 -91.000 TYR 43 0.840 103.173 150.397 75.140 -99.200 -91.000 TYR 51 0.840 93.535 166.556 87.407 -99.200 -91.000 TYR 52 0.840 97.053 170.146 80.654 -99.200 -91.000 PHE 61 1.000 101.614 172.325 72.644 -99.200 -91.000 PHE 66 1.000 103.214 166.970 69.946 -99.200 -91.000 PHE 70 1.000 114.510 156.460 65.719 -99.200 -91.000 PHE 77 1.000 120.346 153.495 55.911 -99.200 -91.000 PHE 94 1.000 101.126 170.324 66.988 -99.200 -91.000 PHE 138 1.000 120.785 151.809 77.272 -99.200 -91.000 HIS 147 0.900 112.422 160.469 89.400 -99.200 -91.000 HIS 148 0.900 121.801 163.037 89.064 -99.200 -91.000 TRP 157 1.040 120.565 171.383 77.467 -99.200 -91.000 TRP6 157 1.020 121.430 171.842 75.318 -99.200 -91.000 PHE 168 1.000 110.804 187.984 89.083 -99.200 -91.000 TYR 173 0.840 106.503 188.857 102.520 -99.200 -91.000 TYR 181 0.840 106.502 165.420 89.893 -99.200 -91.000 TRP 188 1.040 96.411 173.984 89.879 -99.200 -91.000 TRP6 188 1.020 94.878 172.918 88.419 -99.200 -91.000 TRP 205 1.040 110.105 174.788 88.439 -99.200 -91.000 TRP6 205 1.020 111.831 173.186 88.305 -99.200 -91.000 HIS 226 0.900 104.473 166.745 97.484 -99.200 -91.000 TYR 228 0.840 114.080 162.645 99.436 -99.200 -91.000 TYR 233 0.840 118.825 163.707 91.808 -99.200 -91.000 HIS 237 0.900 122.800 174.272 89.665 -99.200 -91.000 TYR 242 0.840 120.929 180.507 90.052 -99.200 -91.000 TRP 246 1.040 117.459 172.582 99.485 -99.200 -91.000 TRP6 246 1.020 116.714 170.426 100.119 -99.200 -91.000 TYR 249 0.840 105.330 171.638 99.607 -99.200 -91.000 PHE 251 1.000 101.212 172.523 102.672 -99.200 -91.000 PHE 252 1.000 98.369 161.679 103.439 -99.200 -91.000 PHE 268 1.000 109.109 183.698 103.508 -99.200 -91.000 TYR 283 0.840 91.354 176.728 104.689 -99.200 -91.000 TRP 287 1.040 91.447 171.009 110.840 -99.200 -91.000 TRP6 287 1.020 91.921 169.666 112.730 -99.200 -91.000 TYR 294 0.840 83.977 160.916 105.832 -99.200 -91.000 TYR 306 0.840 108.319 148.088 100.646 -99.200 -91.000 HIS 314 0.900 107.208 163.310 113.980 -99.200 -91.000 TYR 319 0.840 97.211 156.492 105.374 -99.200 -91.000 TYR 331 0.840 112.451 145.785 112.690 -99.200 -91.000 PHE 334 1.000 104.922 143.636 100.361 -99.200 -91.000 PHE 337 1.000 104.941 141.545 106.465 -99.200 -91.000 PHE 354 1.000 94.388 146.809 88.238 -99.200 -91.000 PHE 356 1.000 99.393 144.246 97.408 -99.200 -91.000 PHE 363 1.000 98.675 149.620 96.040 -99.200 -91.000 HIS 367 0.900 101.190 162.440 95.927 -99.200 -91.000 TRP 369 1.040 100.142 157.856 92.792 -99.200 -91.000 TRP6 369 1.020 101.388 159.453 91.566 -99.200 -91.000 TYR 371 0.840 89.308 156.705 93.299 -99.200 -91.000 TYR 375 0.840 93.419 161.046 97.818 -99.200 -91.000 HIS 376 0.900 99.402 165.603 99.274 -99.200 -91.000 PHE 378 1.000 94.324 173.439 106.442 -99.200 -91.000 PHE 381 1.000 91.713 165.018 107.163 -99.200 -91.000 PHE 384 1.000 93.749 159.907 102.973 -99.200 -91.000 TRP 397 1.040 87.005 146.042 99.802 -99.200 -91.000 TRP6 397 1.020 88.470 145.298 98.105 -99.200 -91.000 TRP 404 1.040 77.948 127.725 96.736 -99.200 -91.000 TRP6 404 1.020 76.918 129.660 95.859 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1l5hA1 ASN 49 HA 0.02 -0.00 0.17 -0.75 4.76 4.19 1l5hA1 ASN 49 HB2 0.02 0.01 0.04 -0.04 2.88 2.91 1l5hA1 ASN 49 HB3 0.02 -0.12 0.05 -0.04 2.79 2.70 1l5hA1 ASN 49 HD21 0.01 0.02 -0.04 -0.04 7.03 6.99 1l5hA1 ASN 49 HD22 0.02 0.00 -0.01 -0.04 7.74 7.70 1l5hA1 LYS 50 H 0.02 0.10 0.05 -0.55 8.42 8.04 1l5hA1 LYS 50 HA 0.01 -0.05 0.36 -0.75 4.32 3.89 1l5hA1 LYS 50 HB2 0.01 -0.00 0.07 -0.04 1.87 1.91 1l5hA1 LYS 50 HB3 0.01 0.05 0.05 -0.04 1.79 1.86 1l5hA1 LYS 50 HG2 0.00 -0.01 -0.19 -0.04 1.46 1.22 1l5hA1 LYS 50 HG3 0.01 -0.00 0.00 -0.04 1.46 1.43 1l5hA1 LYS 50 HD2 -0.01 -0.05 0.01 -0.04 1.69 1.61 1l5hA1 LYS 50 HD3 -0.01 0.04 0.03 -0.04 1.68 1.70 1l5hA1 LYS 50 HE2 -0.02 0.02 -0.04 -0.04 2.99 2.91 1l5hA1 LYS 50 HE3 -0.02 -0.02 -0.01 -0.04 2.99 2.90 1l5hA1 LYS 51 H 0.01 0.09 -0.03 -0.55 8.42 7.94 1l5hA1 LYS 51 HA 0.01 0.21 0.50 -0.75 4.32 4.28 1l5hA1 LYS 51 HB2 0.01 -0.03 0.15 -0.04 1.87 1.96 1l5hA1 LYS 51 HB3 0.01 0.01 0.16 -0.04 1.79 1.93 1l5hA1 LYS 51 HG2 0.01 -0.06 -0.10 -0.04 1.46 1.28 1l5hA1 LYS 51 HG3 0.01 -0.00 0.00 -0.04 1.46 1.43 1l5hA1 LYS 51 HD2 0.01 -0.01 -0.02 -0.04 1.69 1.63 1l5hA1 LYS 51 HD3 0.01 0.12 -0.10 -0.04 1.68 1.67 1l5hA1 LYS 51 HE2 0.01 -0.01 -0.09 -0.04 2.99 2.86 1l5hA1 LYS 51 HE3 0.01 -0.02 -0.03 -0.04 2.99 2.90 1l5hA1 SER 52 H -0.00 0.59 -0.23 -0.55 8.46 8.28 1l5hA1 SER 52 HA -0.01 0.03 0.50 -0.75 4.49 4.26 1l5hA1 SER 52 HB2 -0.02 0.01 0.04 -0.04 3.95 3.94 1l5hA1 SER 52 HB3 -0.02 -0.08 0.03 -0.04 3.93 3.82 1l5hA1 GLN 53 H -0.00 0.23 0.20 -0.55 8.47 8.35 1l5hA1 GLN 53 HA -0.00 0.10 0.44 -0.75 4.36 4.14 1l5hA1 GLN 53 HB2 -0.00 -0.02 0.05 -0.04 2.15 2.13 1l5hA1 GLN 53 HB3 -0.00 0.04 0.07 -0.04 2.02 2.09 1l5hA1 GLN 53 HG2 0.00 -0.05 -0.04 -0.04 2.40 2.27 1l5hA1 GLN 53 HG3 0.00 0.30 0.09 -0.04 2.39 2.74 1l5hA1 GLN 53 HE21 0.01 -0.03 0.02 -0.04 6.97 6.92 1l5hA1 GLN 53 HE22 0.00 -0.02 0.01 -0.04 7.69 7.64 1l5hA1 PRO 54 HA -0.01 0.03 0.50 -0.51 4.44 4.46 1l5hA1 PRO 54 HB2 -0.01 0.02 0.03 -0.04 2.28 2.29 1l5hA1 PRO 54 HB3 -0.01 -0.01 0.12 -0.04 2.02 2.08 1l5hA1 PRO 54 HG2 -0.01 0.02 0.09 -0.04 2.03 2.09 1l5hA1 PRO 54 HG3 -0.01 0.07 0.09 -0.04 2.03 2.15 1l5hA1 PRO 54 HD2 -0.00 0.09 0.20 -0.04 3.68 3.92 1l5hA1 PRO 54 HD3 -0.00 0.17 0.22 -0.04 3.65 4.00 1l5hA1 GLY 55 H -0.01 0.12 0.18 -0.55 8.43 8.18 1l5hA1 GLY 55 HA2 -0.01 -0.02 0.33 -0.51 4.01 3.79 1l5hA1 GLY 55 HA3 -0.01 0.14 0.61 -0.51 4.01 4.24 1l5hA1 LEU 56 H -0.01 0.14 -0.09 -0.55 8.37 7.86 1l5hA1 LEU 56 HA -0.01 0.16 0.94 -0.75 4.35 4.69 1l5hA1 LEU 56 HB2 -0.01 0.12 -0.03 -0.04 1.64 1.68 1l5hA1 LEU 56 HB3 -0.01 -0.01 0.03 -0.04 1.64 1.61 1l5hA1 LEU 56 HG -0.01 0.07 -0.46 -0.04 1.64 1.21 1l5hA1 LEU 56 HD13 -0.00 -0.01 -0.02 -0.04 0.93 0.86 1l5hA1 LEU 56 HD23 -0.00 0.03 -0.07 -0.04 0.89 0.81 1l5hA1 MET 57 H -0.02 0.15 0.14 -0.55 8.47 8.19 1l5hA1 MET 57 HA -0.03 0.08 0.60 -0.75 4.52 4.42 1l5hA1 MET 57 HB2 -0.02 0.02 0.15 -0.04 2.15 2.26 1l5hA1 MET 57 HB3 -0.03 0.00 -0.07 -0.04 2.03 1.89 1l5hA1 MET 57 HG2 -0.03 -0.02 0.00 -0.04 2.63 2.55 1l5hA1 MET 57 HG3 -0.02 0.01 -0.04 -0.04 2.56 2.47 1l5hA1 MET 57 HE3 -0.02 0.01 -0.01 -0.04 2.10 2.03 1l5hA1 THR 58 H -0.04 0.26 0.15 -0.55 8.28 8.10 1l5hA1 THR 58 HA -0.05 0.08 0.48 -0.75 4.39 4.14 1l5hA1 THR 58 HB -0.05 0.19 0.00 -0.04 4.32 4.42 1l5hA1 THR 58 HG23 -0.04 0.05 -0.14 -0.04 1.22 1.06 1l5hA1 ILE 59 H -0.06 0.19 0.00 -0.55 8.25 7.84 1l5hA1 ILE 59 HA -0.05 0.21 0.62 -0.75 4.18 4.20 1l5hA1 ILE 59 HB -0.07 -0.07 0.11 -0.04 1.89 1.82 1l5hA1 ILE 59 HG12 -0.04 -0.02 -0.19 -0.04 1.49 1.19 1l5hA1 ILE 59 HG13 -0.04 0.02 -0.14 -0.04 1.21 1.01 1l5hA1 ILE 59 HG23 -0.05 0.01 0.03 -0.04 0.93 0.87 1l5hA1 ILE 59 HD13 -0.04 0.03 -0.17 -0.04 0.88 0.65 1l5hA1 ARG 60 H -0.06 0.18 -0.91 -0.55 8.46 7.12 1l5hA1 ARG 60 HA -0.07 -0.06 0.50 -0.75 4.34 3.96 1l5hA1 ARG 60 HB2 -0.06 -0.04 0.02 -0.04 1.90 1.78 1l5hA1 ARG 60 HB3 -0.05 0.10 0.03 -0.04 1.80 1.84 1l5hA1 ARG 60 HG2 -0.05 0.13 -0.04 -0.04 1.67 1.67 1l5hA1 ARG 60 HG3 -0.06 -0.16 0.10 -0.04 1.67 1.51 1l5hA1 ARG 60 HD2 -0.05 -0.04 0.03 -0.04 3.22 3.12 1l5hA1 ARG 60 HD3 -0.03 0.13 0.06 -0.04 3.22 3.33 1l5hA1 GLY 61 H -0.08 -0.00 0.18 -0.55 8.43 7.99 1l5hA1 GLY 61 HA2 -0.05 0.19 0.56 -0.51 4.01 4.21 1l5hA1 GLY 61 HA3 -0.07 -0.03 0.34 -0.51 4.01 3.74 1l5hA1 CYS 62 H -0.01 0.03 0.15 -0.55 8.50 8.12 1l5hA1 CYS 62 HA -0.04 0.38 0.71 -0.75 4.58 4.88 1l5hA1 CYS 62 HB2 -0.01 0.28 0.29 -0.04 2.97 3.49 1l5hA1 CYS 62 HB3 -0.00 0.14 0.05 -0.04 2.97 3.12 1l5hA1 ALA 63 H -0.05 0.54 0.15 -0.55 8.40 8.49 1l5hA1 ALA 63 HA -0.08 -0.03 0.43 -0.75 4.34 3.91 1l5hA1 ALA 63 HB3 -0.08 0.12 -0.05 -0.04 1.41 1.35 1l5hA1 TYR 64 H 0.09 0.05 -0.22 -0.55 8.29 7.66 1l5hA1 TYR 64 HA -0.05 0.12 0.48 -0.75 4.56 4.36 1l5hA1 TYR 64 HB2 -0.07 0.14 0.13 -0.04 3.06 3.21 1l5hA1 TYR 64 HB3 -0.05 -0.08 0.10 -0.04 2.98 2.90 1l5hA1 TYR 64 HD2 -0.04 0.07 -0.20 -0.04 7.15 6.94 1l5hA1 TYR 64 HE2 -0.01 0.12 -0.17 -0.04 6.85 6.74 1l5hA1 ALA 65 H 0.07 0.10 -0.18 -0.55 8.40 7.84 1l5hA1 ALA 65 HA -0.12 0.11 0.43 -0.75 4.34 4.01 1l5hA1 ALA 65 HB3 -0.02 0.06 0.10 -0.04 1.41 1.51 1l5hA1 GLY 66 H -0.08 0.36 -0.30 -0.55 8.43 7.86 1l5hA1 GLY 66 HA2 0.03 0.07 0.43 -0.51 4.01 4.03 1l5hA1 GLY 66 HA3 -0.13 0.08 0.28 -0.51 4.01 3.72 1l5hA1 SER 67 H -0.07 0.39 -0.14 -0.55 8.46 8.10 1l5hA1 SER 67 HA 0.12 0.12 0.57 -0.75 4.49 4.54 1l5hA1 SER 67 HB2 0.05 0.09 0.10 -0.04 3.95 4.14 1l5hA1 SER 67 HB3 -0.04 -0.01 0.19 -0.04 3.93 4.04 1l5hA1 LYS 68 H -0.32 0.60 0.14 -0.55 8.42 8.28 1l5hA1 LYS 68 HA -0.12 0.04 0.52 -0.75 4.32 4.01 1l5hA1 LYS 68 HB2 -0.52 -0.08 0.04 -0.04 1.87 1.27 1l5hA1 LYS 68 HB3 -1.04 0.09 0.09 -0.04 1.79 0.90 1l5hA1 LYS 68 HG2 -0.13 0.02 -0.04 -0.04 1.46 1.27 1l5hA1 LYS 68 HG3 -0.14 -0.04 -0.10 -0.04 1.46 1.13 1l5hA1 LYS 68 HD2 -0.29 -0.07 -0.17 -0.04 1.69 1.12 1l5hA1 LYS 68 HD3 -0.17 0.05 -0.59 -0.04 1.68 0.93 1l5hA1 LYS 68 HE2 0.04 0.07 -0.07 -0.04 2.99 2.99 1l5hA1 LYS 68 HE3 0.10 -0.06 -0.09 -0.04 2.99 2.90 1l5hA1 GLY 69 H -0.26 0.17 -0.09 -0.55 8.43 7.70 1l5hA1 GLY 69 HA2 -0.11 0.07 0.36 -0.51 4.01 3.82 1l5hA1 GLY 69 HA3 -0.14 0.15 0.37 -0.51 4.01 3.89 1l5hA1 VAL 70 H -0.12 0.12 -0.29 -0.55 8.24 7.40 1l5hA1 VAL 70 HA -0.33 0.31 1.20 -0.75 4.13 4.55 1l5hA1 VAL 70 HB -0.77 -0.06 0.02 -0.04 2.12 1.26 1l5hA1 VAL 70 HG13 -0.11 0.00 -0.07 -0.04 0.97 0.76 1l5hA1 VAL 70 HG23 -0.50 0.02 -0.18 -0.04 0.95 0.25 1l5hA1 VAL 71 H -0.08 0.23 0.01 -0.55 8.24 7.86 1l5hA1 VAL 71 HA -0.03 0.11 0.69 -0.75 4.13 4.15 1l5hA1 VAL 71 HB -0.01 0.05 0.21 -0.04 2.12 2.33 1l5hA1 VAL 71 HG13 -0.37 -0.01 -0.21 -0.04 0.97 0.34 1l5hA1 VAL 71 HG23 -0.02 0.01 0.03 -0.04 0.95 0.94 1l5hA1 TRP 72 H 0.07 0.57 0.13 -0.55 7.97 8.20 1l5hA1 TRP 72 HA -0.11 0.18 0.87 -0.75 4.62 4.80 1l5hA1 TRP 72 HB2 -0.26 0.02 0.06 -0.04 3.23 3.01 1l5hA1 TRP 72 HB3 -0.50 -0.00 -0.13 -0.04 3.23 2.56 1l5hA1 TRP 72 HD1 -0.07 -0.02 -0.05 -0.04 7.22 7.03 1l5hA1 TRP 72 HE1 -0.01 0.08 0.04 -0.04 10.20 10.27 1l5hA1 TRP 72 HE3 0.01 0.02 -0.09 -0.04 7.59 7.49 1l5hA1 TRP 72 HZ2 0.00 -0.04 -0.28 -0.04 7.44 7.08 1l5hA1 TRP 72 HZ3 -0.01 0.01 -0.13 -0.04 7.13 6.96 1l5hA1 TRP 72 HH2 -0.03 0.04 -0.14 -0.04 7.19 7.01 1l5hA1 GLY 73 H -0.09 0.30 -0.00 -0.55 8.43 8.10 1l5hA1 GLY 73 HA2 -0.17 -0.04 0.30 -0.51 4.01 3.59 1l5hA1 GLY 73 HA3 -0.06 0.16 0.29 -0.51 4.01 3.89 1l5hA1 PRO 74 HA 0.05 0.05 0.31 -0.51 4.44 4.34 1l5hA1 PRO 74 HB2 0.10 -0.07 -0.33 -0.04 2.28 1.94 1l5hA1 PRO 74 HB3 0.10 -0.10 -0.30 -0.04 2.02 1.68 1l5hA1 PRO 74 HG2 0.09 0.12 -0.10 -0.04 2.03 2.10 1l5hA1 PRO 74 HG3 0.04 -0.00 -0.07 -0.04 2.03 1.95 1l5hA1 PRO 74 HD2 -0.02 0.09 -0.85 -0.04 3.68 2.86 1l5hA1 PRO 74 HD3 -0.05 0.12 -0.35 -0.04 3.65 3.33 1l5hA1 ILE 75 H 0.09 0.42 -0.38 -0.55 8.25 7.82 1l5hA1 ILE 75 HA 0.12 -0.08 0.32 -0.75 4.18 3.79 1l5hA1 ILE 75 HB 0.43 0.12 0.06 -0.04 1.89 2.46 1l5hA1 ILE 75 HG12 0.01 0.18 0.09 -0.04 1.49 1.73 1l5hA1 ILE 75 HG13 -0.02 -0.05 -0.02 -0.04 1.21 1.08 1l5hA1 ILE 75 HG23 0.17 -0.07 -0.30 -0.04 0.93 0.69 1l5hA1 ILE 75 HD13 0.04 -0.01 -0.07 -0.04 0.88 0.80 1l5hA1 LYS 76 H 0.08 0.43 0.36 -0.55 8.42 8.75 1l5hA1 LYS 76 HA -0.04 0.07 0.42 -0.75 4.32 4.01 1l5hA1 LYS 76 HB2 -0.12 -0.17 0.10 -0.04 1.87 1.64 1l5hA1 LYS 76 HB3 -0.06 0.04 0.20 -0.04 1.79 1.93 1l5hA1 LYS 76 HG2 0.11 0.55 0.19 -0.04 1.46 2.26 1l5hA1 LYS 76 HG3 0.08 -0.05 0.05 -0.04 1.46 1.50 1l5hA1 LYS 76 HD2 0.19 0.00 0.00 -0.04 1.69 1.84 1l5hA1 LYS 76 HD3 0.26 -0.15 0.06 -0.04 1.68 1.81 1l5hA1 LYS 76 HE2 0.16 0.12 -0.06 -0.04 2.99 3.17 1l5hA1 LYS 76 HE3 0.12 -0.05 0.04 -0.04 2.99 3.05 1l5hA1 ASP 77 H 0.10 0.03 0.05 -0.55 8.40 8.02 1l5hA1 ASP 77 HA 0.18 0.42 0.94 -0.75 4.63 5.41 1l5hA1 ASP 77 HB2 0.11 0.00 0.27 -0.04 2.71 3.05 1l5hA1 ASP 77 HB3 0.09 0.12 0.21 -0.04 2.70 3.08 1l5hA1 MET 78 H 0.09 0.22 -0.45 -0.55 8.47 7.78 1l5hA1 MET 78 HA -0.14 0.22 0.84 -0.75 4.52 4.68 1l5hA1 MET 78 HB2 0.08 0.08 -0.14 -0.04 2.15 2.14 1l5hA1 MET 78 HB3 -0.23 -0.01 -0.26 -0.04 2.03 1.49 1l5hA1 MET 78 HG2 -0.00 0.07 -0.30 -0.04 2.63 2.35 1l5hA1 MET 78 HG3 0.09 -0.18 -0.29 -0.04 2.56 2.14 1l5hA1 MET 78 HE3 -0.07 -0.00 -0.36 -0.04 2.10 1.63 1l5hA1 ILE 79 H -0.50 0.64 0.30 -0.55 8.25 8.13 1l5hA1 ILE 79 HA -0.84 0.17 0.82 -0.75 4.18 3.58 1l5hA1 ILE 79 HB -0.73 0.01 0.14 -0.04 1.89 1.27 1l5hA1 ILE 79 HG12 -1.92 -0.01 -0.11 -0.04 1.49 -0.58 1l5hA1 ILE 79 HG13 -1.48 0.01 -0.29 -0.04 1.21 -0.59 1l5hA1 ILE 79 HG23 -1.52 -0.03 -0.25 -0.04 0.93 -0.91 1l5hA1 ILE 79 HD13 -0.97 0.01 -0.09 -0.04 0.88 -0.21 1l5hA1 HIS 80 H -0.47 0.29 0.06 -0.55 8.41 7.74 1l5hA1 HIS 80 HA -0.22 0.07 0.82 -0.75 4.63 4.55 1l5hA1 HIS 80 HB2 -0.02 0.06 0.06 -0.04 3.26 3.31 1l5hA1 HIS 80 HB3 -0.08 -0.12 -0.09 -0.04 3.20 2.87 1l5hA1 HIS 80 HD2 0.04 0.11 -0.04 -0.04 6.97 7.03 1l5hA1 HIS 80 HE1 0.28 -0.09 -0.21 -0.04 7.75 7.69 1l5hA1 ILE 81 H -0.13 0.57 0.25 -0.55 8.25 8.39 1l5hA1 ILE 81 HA 0.02 0.34 0.98 -0.75 4.18 4.77 1l5hA1 ILE 81 HB -0.14 0.01 0.12 -0.04 1.89 1.84 1l5hA1 ILE 81 HG12 -0.05 -0.01 -0.26 -0.04 1.49 1.14 1l5hA1 ILE 81 HG13 -0.25 0.02 -0.44 -0.04 1.21 0.50 1l5hA1 ILE 81 HG23 0.00 -0.05 -0.49 -0.04 0.93 0.35 1l5hA1 ILE 81 HD13 -0.16 0.00 -0.18 -0.04 0.88 0.50 1l5hA1 SER 82 H 0.09 0.75 0.26 -0.55 8.46 9.01 1l5hA1 SER 82 HA 0.14 0.11 0.60 -0.75 4.49 4.59 1l5hA1 SER 82 HB2 0.06 0.05 0.21 -0.04 3.95 4.23 1l5hA1 SER 82 HB3 0.01 -0.12 -0.04 -0.04 3.93 3.74 1l5hA1 HIS 83 H 0.06 0.69 0.23 -0.55 8.41 8.84 1l5hA1 HIS 83 HA -0.14 0.01 0.67 -0.75 4.63 4.42 1l5hA1 HIS 83 HB2 -0.10 0.11 -0.07 -0.04 3.26 3.16 1l5hA1 HIS 83 HB3 -0.15 -0.10 0.08 -0.04 3.20 2.99 1l5hA1 HIS 83 HD2 -0.06 -0.04 -0.09 -0.04 6.97 6.73 1l5hA1 HIS 83 HE1 0.22 0.08 -0.01 -0.04 7.75 8.00 1l5hA1 GLY 84 H -0.47 0.23 0.17 -0.55 8.43 7.81 1l5hA1 GLY 84 HA2 -1.52 0.03 0.26 -0.51 4.01 2.26 1l5hA1 GLY 84 HA3 -0.51 0.12 0.74 -0.51 4.01 3.85 1l5hA1 PRO 85 HA 0.03 0.13 0.59 -0.51 4.44 4.67 1l5hA1 PRO 85 HB2 -0.04 -0.08 0.04 -0.04 2.28 2.16 1l5hA1 PRO 85 HB3 0.01 0.16 0.13 -0.04 2.02 2.28 1l5hA1 PRO 85 HG2 -0.02 0.08 0.08 -0.04 2.03 2.12 1l5hA1 PRO 85 HG3 0.05 0.13 0.04 -0.04 2.03 2.21 1l5hA1 PRO 85 HD2 -0.17 0.05 0.20 -0.04 3.68 3.72 1l5hA1 PRO 85 HD3 -0.28 0.09 0.20 -0.04 3.65 3.63 1l5hA1 VAL 86 H -0.01 0.25 0.14 -0.55 8.24 8.08 1l5hA1 VAL 86 HA -0.05 0.05 0.26 -0.75 4.13 3.63 1l5hA1 VAL 86 HB -0.02 0.03 0.12 -0.04 2.12 2.22 1l5hA1 VAL 86 HG13 -0.04 0.02 -0.06 -0.04 0.97 0.85 1l5hA1 VAL 86 HG23 -0.07 0.03 -0.00 -0.04 0.95 0.87 1l5hA1 GLY 87 H -0.05 0.04 -0.32 -0.55 8.43 7.55 1l5hA1 GLY 87 HA2 -0.35 0.13 0.32 -0.51 4.01 3.60 1l5hA1 GLY 87 HA3 0.06 0.04 0.28 -0.51 4.01 3.88 1l5hA1 CYS 88 H -0.07 0.12 -0.02 -0.55 8.50 7.98 1l5hA1 CYS 88 HA 0.11 0.06 0.32 -0.75 4.58 4.31 1l5hA1 CYS 88 HB2 -0.52 0.03 -0.02 -0.04 2.97 2.43 1l5hA1 CYS 88 HB3 -0.76 -0.01 0.01 -0.04 2.97 2.17 1l5hA1 GLY 89 H -0.07 0.12 -0.26 -0.55 8.43 7.67 1l5hA1 GLY 89 HA2 0.17 0.04 0.33 -0.51 4.01 4.04 1l5hA1 GLY 89 HA3 0.04 0.07 0.21 -0.51 4.01 3.82 1l5hA1 GLN 90 H -0.17 0.32 -0.19 -0.55 8.47 7.88 1l5hA1 GLN 90 HA -0.09 0.09 0.46 -0.75 4.36 4.07 1l5hA1 GLN 90 HB2 -0.22 0.04 0.13 -0.04 2.15 2.05 1l5hA1 GLN 90 HB3 -0.60 0.01 0.13 -0.04 2.02 1.52 1l5hA1 GLN 90 HG2 -0.21 -0.05 -0.03 -0.04 2.40 2.07 1l5hA1 GLN 90 HG3 -0.17 0.04 -0.09 -0.04 2.39 2.13 1l5hA1 GLN 90 HE21 -0.05 0.01 0.00 -0.04 6.97 6.90 1l5hA1 GLN 90 HE22 -0.07 -0.02 -0.01 -0.04 7.69 7.55 1l5hA1 TYR 91 H -0.27 0.43 -0.04 -0.55 8.29 7.87 1l5hA1 TYR 91 HA 0.01 0.10 0.43 -0.75 4.56 4.35 1l5hA1 TYR 91 HB2 0.02 0.00 0.04 -0.04 3.06 3.08 1l5hA1 TYR 91 HB3 0.01 -0.02 0.03 -0.04 2.98 2.95 1l5hA1 TYR 91 HD2 -0.02 -0.02 -0.20 -0.04 7.15 6.87 1l5hA1 TYR 91 HE2 -0.02 -0.07 -0.06 -0.04 6.85 6.66 1l5hA1 SER 92 H 0.13 0.29 -0.30 -0.55 8.46 8.04 1l5hA1 SER 92 HA 0.09 0.10 0.68 -0.75 4.49 4.61 1l5hA1 SER 92 HB2 0.06 -0.08 0.05 -0.04 3.95 3.94 1l5hA1 SER 92 HB3 0.20 -0.11 0.01 -0.04 3.93 3.99 1l5hA1 ARG 93 H 0.05 0.23 -0.40 -0.55 8.46 7.79 1l5hA1 ARG 93 HA 0.06 -0.04 0.34 -0.75 4.34 3.95 1l5hA1 ARG 93 HB2 0.02 -0.06 0.05 -0.04 1.90 1.88 1l5hA1 ARG 93 HB3 0.01 0.21 0.21 -0.04 1.80 2.18 1l5hA1 ARG 93 HG2 0.02 -0.06 -0.03 -0.04 1.67 1.56 1l5hA1 ARG 93 HG3 0.04 0.05 -0.48 -0.04 1.67 1.24 1l5hA1 ARG 93 HD2 0.04 0.39 -0.03 -0.04 3.22 3.59 1l5hA1 ARG 93 HD3 0.02 -0.09 -0.29 -0.04 3.22 2.83 1l5hA1 ALA 94 H 0.07 0.15 0.23 -0.55 8.40 8.31 1l5hA1 ALA 94 HA 0.09 -0.01 0.35 -0.75 4.34 4.02 1l5hA1 ALA 94 HB3 0.08 0.02 0.06 -0.04 1.41 1.53 1l5hA1 GLY 95 H 0.06 0.37 -0.14 -0.55 8.43 8.18 1l5hA1 GLY 95 HA2 0.06 0.14 0.49 -0.51 4.01 4.19 1l5hA1 GLY 95 HA3 0.04 -0.04 0.24 -0.51 4.01 3.74 1l5hA1 ARG 96 H 0.05 0.09 0.06 -0.55 8.46 8.11 1l5hA1 ARG 96 HA 0.09 0.17 0.79 -0.75 4.34 4.64 1l5hA1 ARG 96 HB2 0.03 0.08 0.09 -0.04 1.90 2.06 1l5hA1 ARG 96 HB3 0.12 -0.11 0.04 -0.04 1.80 1.80 1l5hA1 ARG 96 HG2 -0.14 -0.00 -0.04 -0.04 1.67 1.44 1l5hA1 ARG 96 HG3 -0.06 -0.02 -0.06 -0.04 1.67 1.49 1l5hA1 ARG 96 HD2 -0.16 -0.09 -0.10 -0.04 3.22 2.84 1l5hA1 ARG 96 HD3 -0.10 0.39 -0.03 -0.04 3.22 3.43 1l5hA1 ARG 97 H 0.21 0.08 0.07 -0.55 8.46 8.27 1l5hA1 ARG 97 HA 0.21 0.34 0.74 -0.75 4.34 4.87 1l5hA1 ARG 97 HB2 0.06 -0.20 0.14 -0.04 1.90 1.85 1l5hA1 ARG 97 HB3 0.24 -0.03 0.12 -0.04 1.80 2.09 1l5hA1 ARG 97 HG2 0.18 0.13 -0.23 -0.04 1.67 1.71 1l5hA1 ARG 97 HG3 0.16 0.16 -0.06 -0.04 1.67 1.88 1l5hA1 ARG 97 HD2 0.26 -0.03 -0.09 -0.04 3.22 3.32 1l5hA1 ARG 97 HD3 0.16 0.18 -0.08 -0.04 3.22 3.43 1l5hA1 ASN 98 H 0.15 0.36 -0.33 -0.55 8.53 8.17 1l5hA1 ASN 98 HA 0.02 0.14 0.44 -0.75 4.76 4.61 1l5hA1 ASN 98 HB2 0.13 0.01 0.14 -0.04 2.88 3.11 1l5hA1 ASN 98 HB3 0.09 0.04 0.07 -0.04 2.79 2.94 1l5hA1 ASN 98 HD21 0.06 0.04 -0.06 -0.04 7.03 7.03 1l5hA1 ASN 98 HD22 0.10 0.02 -0.04 -0.04 7.74 7.77 1l5hA1 TYR 99 H 0.01 0.32 0.31 -0.55 8.29 8.38 1l5hA1 TYR 99 HA -0.05 0.06 0.34 -0.75 4.56 4.16 1l5hA1 TYR 99 HB2 -0.65 -0.07 0.14 -0.04 3.06 2.44 1l5hA1 TYR 99 HB3 -0.49 0.04 0.01 -0.04 2.98 2.49 1l5hA1 TYR 99 HD2 -0.02 -0.03 -0.24 -0.04 7.15 6.82 1l5hA1 TYR 99 HE2 0.02 0.06 -0.06 -0.04 6.85 6.83 1l5hA1 TYR 100 H -0.15 0.29 0.26 -0.55 8.29 8.14 1l5hA1 TYR 100 HA 0.35 0.09 0.58 -0.75 4.56 4.83 1l5hA1 TYR 100 HB2 0.16 -0.01 0.16 -0.04 3.06 3.33 1l5hA1 TYR 100 HB3 0.11 0.11 -0.05 -0.04 2.98 3.11 1l5hA1 TYR 100 HD2 0.08 0.17 -0.25 -0.04 7.15 7.11 1l5hA1 TYR 100 HE2 0.03 -0.02 -0.14 -0.04 6.85 6.68 1l5hA1 ILE 101 H 0.43 0.26 0.16 -0.55 8.25 8.55 1l5hA1 ILE 101 HA 0.04 0.21 1.07 -0.75 4.18 4.75 1l5hA1 ILE 101 HB 0.13 0.01 0.16 -0.04 1.89 2.14 1l5hA1 ILE 101 HG12 0.32 -0.11 -0.21 -0.04 1.49 1.44 1l5hA1 ILE 101 HG13 -0.20 0.03 -0.03 -0.04 1.21 0.96 1l5hA1 ILE 101 HG23 -0.00 0.01 -0.11 -0.04 0.93 0.78 1l5hA1 ILE 101 HD13 -0.15 0.05 -0.05 -0.04 0.88 0.68 1l5hA1 GLY 102 H 0.03 0.34 0.19 -0.55 8.43 8.44 1l5hA1 GLY 102 HA2 0.08 0.13 0.39 -0.51 4.01 4.10 1l5hA1 GLY 102 HA3 0.19 0.03 0.27 -0.51 4.01 3.98 1l5hA1 THR 103 H 0.02 0.17 0.05 -0.55 8.28 7.97 1l5hA1 THR 103 HA 0.02 0.20 0.82 -0.75 4.39 4.68 1l5hA1 THR 103 HB -0.01 -0.11 0.24 -0.04 4.32 4.41 1l5hA1 THR 103 HG23 0.02 0.05 -0.01 -0.04 1.22 1.23 1l5hA1 THR 104 H 0.06 0.20 -0.01 -0.55 8.28 7.98 1l5hA1 THR 104 HA -0.06 0.27 0.44 -0.75 4.39 4.29 1l5hA1 THR 104 HB 0.08 0.05 0.05 -0.04 4.32 4.45 1l5hA1 THR 104 HG23 0.10 -0.00 -0.11 -0.04 1.22 1.17 1l5hA1 GLY 105 H -0.11 0.49 0.34 -0.55 8.43 8.60 1l5hA1 GLY 105 HA2 0.42 -0.00 0.34 -0.51 4.01 4.26 1l5hA1 GLY 105 HA3 0.21 0.11 0.60 -0.51 4.01 4.42 1l5hA1 VAL 106 H -0.10 0.21 -0.12 -0.55 8.24 7.68 1l5hA1 VAL 106 HA 0.19 0.25 1.00 -0.75 4.13 4.82 1l5hA1 VAL 106 HB 0.01 -0.03 0.12 -0.04 2.12 2.17 1l5hA1 VAL 106 HG13 0.05 -0.00 -0.06 -0.04 0.97 0.92 1l5hA1 VAL 106 HG23 0.06 0.03 -0.21 -0.04 0.95 0.79 1l5hA1 ASN 107 H -0.19 0.22 0.29 -0.55 8.53 8.30 1l5hA1 ASN 107 HA 0.00 0.36 0.85 -0.75 4.76 5.21 1l5hA1 ASN 107 HB2 0.03 0.09 0.16 -0.04 2.88 3.11 1l5hA1 ASN 107 HB3 0.01 0.00 -0.09 -0.04 2.79 2.67 1l5hA1 ASN 107 HD21 0.03 -0.06 -0.03 -0.04 7.03 6.93 1l5hA1 ASN 107 HD22 0.01 0.06 -0.12 -0.04 7.74 7.65 1l5hA1 ALA 108 H -0.51 0.12 0.13 -0.55 8.40 7.60 1l5hA1 ALA 108 HA -0.28 0.56 0.80 -0.75 4.34 4.66 1l5hA1 ALA 108 HB3 -0.04 -0.04 -0.14 -0.04 1.41 1.16 1l5hA1 PHE 109 H -0.06 0.54 0.23 -0.55 8.34 8.50 1l5hA1 PHE 109 HA 0.06 -0.00 0.90 -0.75 4.62 4.82 1l5hA1 PHE 109 HB2 -0.13 0.23 0.08 -0.04 3.15 3.29 1l5hA1 PHE 109 HB3 0.15 -0.08 0.11 -0.04 3.06 3.20 1l5hA1 PHE 109 HD2 -0.03 0.12 -0.24 -0.04 7.28 7.10 1l5hA1 PHE 109 HE2 0.13 0.15 -0.39 -0.04 7.38 7.23 1l5hA1 PHE 109 HZ 0.07 0.18 -0.50 -0.04 7.32 7.03 1l5hA1 VAL 110 H -0.28 0.05 0.05 -0.55 8.24 7.51 1l5hA1 VAL 110 HA 0.05 0.26 0.38 -0.75 4.13 4.06 1l5hA1 VAL 110 HB -0.53 -0.11 0.08 -0.04 2.12 1.52 1l5hA1 VAL 110 HG13 0.05 0.05 -0.15 -0.04 0.97 0.88 1l5hA1 VAL 110 HG23 -0.50 0.03 -0.00 -0.04 0.95 0.44 1l5hA1 THR 111 H 0.12 0.01 -0.10 -0.55 8.28 7.75 1l5hA1 THR 111 HA 0.11 0.13 0.64 -0.75 4.39 4.51 1l5hA1 THR 111 HB 0.10 0.05 0.12 -0.04 4.32 4.56 1l5hA1 THR 111 HG23 0.21 -0.00 -0.01 -0.04 1.22 1.38 1l5hA1 MET 112 H 0.14 0.23 -0.54 -0.55 8.47 7.76 1l5hA1 MET 112 HA 0.01 0.14 0.68 -0.75 4.52 4.60 1l5hA1 MET 112 HB2 0.29 0.16 0.02 -0.04 2.15 2.58 1l5hA1 MET 112 HB3 -0.23 -0.04 0.00 -0.04 2.03 1.72 1l5hA1 MET 112 HG2 0.03 0.05 -0.07 -0.04 2.63 2.61 1l5hA1 MET 112 HG3 0.12 -0.15 -0.16 -0.04 2.56 2.33 1l5hA1 MET 112 HE3 -0.03 0.02 -0.01 -0.04 2.10 2.04 1l5hA1 ASN 113 H -0.16 0.17 0.04 -0.55 8.53 8.03 1l5hA1 ASN 113 HA 0.09 0.20 0.91 -0.75 4.76 5.21 1l5hA1 ASN 113 HB2 0.01 0.12 -0.13 -0.04 2.88 2.84 1l5hA1 ASN 113 HB3 -0.04 -0.02 0.09 -0.04 2.79 2.78 1l5hA1 ASN 113 HD21 -0.04 -0.13 -0.27 -0.04 7.03 6.55 1l5hA1 ASN 113 HD22 -0.04 0.07 -0.17 -0.04 7.74 7.56 1l5hA1 PHE 114 H 0.36 0.32 0.12 -0.55 8.34 8.58 1l5hA1 PHE 114 HA -0.04 0.14 0.77 -0.75 4.62 4.73 1l5hA1 PHE 114 HB2 -0.11 0.17 0.10 -0.04 3.15 3.28 1l5hA1 PHE 114 HB3 -0.10 -0.02 -0.06 -0.04 3.06 2.85 1l5hA1 PHE 114 HD2 -0.16 0.02 -0.07 -0.04 7.28 7.03 1l5hA1 PHE 114 HE2 -0.86 0.06 -0.06 -0.04 7.38 6.48 1l5hA1 PHE 114 HZ -0.89 0.04 -0.07 -0.04 7.32 6.36 1l5hA1 THR 115 H 0.07 0.33 0.19 -0.55 8.28 8.32 1l5hA1 THR 115 HA 0.07 0.23 0.86 -0.75 4.39 4.79 1l5hA1 THR 115 HB 0.02 0.04 -0.18 -0.04 4.32 4.16 1l5hA1 THR 115 HG23 0.00 0.05 -0.07 -0.04 1.22 1.16 1l5hA1 SER 116 H 0.07 0.42 0.27 -0.55 8.46 8.68 1l5hA1 SER 116 HA 0.14 0.21 0.65 -0.75 4.49 4.73 1l5hA1 SER 116 HB2 0.38 -0.01 0.05 -0.04 3.95 4.34 1l5hA1 SER 116 HB3 0.32 0.05 0.01 -0.04 3.93 4.27 1l5hA1 ASP 117 H 0.05 0.01 -0.18 -0.55 8.40 7.73 1l5hA1 ASP 117 HA 0.05 -0.12 0.33 -0.75 4.63 4.14 1l5hA1 ASP 117 HB2 0.03 0.03 -0.06 -0.04 2.71 2.67 1l5hA1 ASP 117 HB3 0.06 0.12 -0.20 -0.04 2.70 2.63 1l5hA1 PHE 118 H 0.21 0.37 -0.18 -0.55 8.34 8.19 1l5hA1 PHE 118 HA -0.03 0.07 0.36 -0.75 4.62 4.26 1l5hA1 PHE 118 HB2 -0.07 -0.17 -0.48 -0.04 3.15 2.38 1l5hA1 PHE 118 HB3 -0.05 0.09 -0.19 -0.04 3.06 2.86 1l5hA1 PHE 118 HD2 -0.08 0.08 -0.22 -0.04 7.28 7.03 1l5hA1 PHE 118 HE2 -0.16 0.06 -0.12 -0.04 7.38 7.12 1l5hA1 PHE 118 HZ -0.31 -0.06 -0.07 -0.04 7.32 6.83 1l5hA1 GLN 119 H -0.08 0.06 0.20 -0.55 8.47 8.11 1l5hA1 GLN 119 HA 0.02 0.22 0.74 -0.75 4.36 4.59 1l5hA1 GLN 119 HB2 -0.03 -0.08 0.12 -0.04 2.15 2.11 1l5hA1 GLN 119 HB3 -0.01 -0.07 0.20 -0.04 2.02 2.10 1l5hA1 GLN 119 HG2 0.01 0.18 0.03 -0.04 2.40 2.59 1l5hA1 GLN 119 HG3 -0.00 0.04 0.05 -0.04 2.39 2.44 1l5hA1 GLN 119 HE21 0.02 -0.04 -0.08 -0.04 6.97 6.83 1l5hA1 GLN 119 HE22 0.03 0.19 -0.28 -0.04 7.69 7.59 1l5hA1 GLU 120 H -0.01 0.23 0.15 -0.55 8.60 8.43 1l5hA1 GLU 120 HA -0.02 0.10 0.40 -0.75 4.29 4.01 1l5hA1 GLU 120 HB2 -0.01 0.05 0.15 -0.04 2.09 2.24 1l5hA1 GLU 120 HB3 -0.00 0.00 0.10 -0.04 1.99 2.05 1l5hA1 GLU 120 HG2 -0.04 -0.00 -0.08 -0.04 2.34 2.17 1l5hA1 GLU 120 HG3 -0.03 0.01 0.05 -0.04 2.34 2.33 1l5hA1 LYS 121 H -0.00 0.11 -0.10 -0.55 8.42 7.87 1l5hA1 LYS 121 HA 0.13 0.12 0.35 -0.75 4.32 4.15 1l5hA1 LYS 121 HB2 0.07 0.05 0.09 -0.04 1.87 2.03 1l5hA1 LYS 121 HB3 0.00 -0.06 0.04 -0.04 1.79 1.74 1l5hA1 LYS 121 HG2 0.13 0.01 -0.32 -0.04 1.46 1.24 1l5hA1 LYS 121 HG3 0.28 0.03 0.01 -0.04 1.46 1.74 1l5hA1 LYS 121 HD2 -0.10 0.05 -0.03 -0.04 1.69 1.56 1l5hA1 LYS 121 HD3 -0.01 0.01 -0.01 -0.04 1.68 1.63 1l5hA1 LYS 121 HE2 -0.03 -0.05 -0.04 -0.04 2.99 2.82 1l5hA1 LYS 121 HE3 -0.04 -0.00 -0.10 -0.04 2.99 2.80 1l5hA1 ASP 122 H -0.15 0.06 -0.34 -0.55 8.40 7.42 1l5hA1 ASP 122 HA -0.20 0.17 0.22 -0.75 4.63 4.06 1l5hA1 ASP 122 HB2 -0.99 0.05 -0.01 -0.04 2.71 1.71 1l5hA1 ASP 122 HB3 -1.25 -0.05 -0.10 -0.04 2.70 1.27 1l5hA1 ILE 123 H -0.17 0.34 -0.23 -0.55 8.25 7.64 1l5hA1 ILE 123 HA -0.00 -0.04 0.36 -0.75 4.18 3.75 1l5hA1 ILE 123 HB -0.05 0.15 0.14 -0.04 1.89 2.09 1l5hA1 ILE 123 HG12 0.09 0.02 -0.06 -0.04 1.49 1.51 1l5hA1 ILE 123 HG13 0.05 -0.00 -0.04 -0.04 1.21 1.18 1l5hA1 ILE 123 HG23 -0.02 0.01 -0.16 -0.04 0.93 0.71 1l5hA1 ILE 123 HD13 0.19 -0.02 -0.03 -0.04 0.88 0.98 1l5hA1 VAL 124 H -0.15 0.38 -0.18 -0.55 8.24 7.74 1l5hA1 VAL 124 HA -0.22 0.10 0.52 -0.75 4.13 3.77 1l5hA1 VAL 124 HB -0.58 0.03 0.13 -0.04 2.12 1.66 1l5hA1 VAL 124 HG13 -0.72 -0.00 -0.07 -0.04 0.97 0.13 1l5hA1 VAL 124 HG23 -0.17 0.03 0.00 -0.04 0.95 0.77 1l5hA1 PHE 125 H -0.08 0.56 0.04 -0.55 8.34 8.31 1l5hA1 PHE 125 HA -0.03 0.19 0.83 -0.75 4.62 4.86 1l5hA1 PHE 125 HB2 -0.07 0.03 0.06 -0.04 3.15 3.13 1l5hA1 PHE 125 HB3 -0.04 -0.05 0.17 -0.04 3.06 3.10 1l5hA1 PHE 125 HD2 -0.04 0.06 0.05 -0.04 7.28 7.31 1l5hA1 PHE 125 HE2 -0.03 -0.03 -0.01 -0.04 7.38 7.27 1l5hA1 PHE 125 HZ -0.02 -0.01 -0.02 -0.04 7.32 7.23 1l5hA1 GLY 126 H -0.04 0.26 -0.41 -0.55 8.43 7.69 1l5hA1 GLY 126 HA2 0.02 0.02 0.37 -0.51 4.01 3.91 1l5hA1 GLY 126 HA3 0.04 0.10 0.60 -0.51 4.01 4.24 1l5hA1 GLY 127 H 0.11 0.15 0.08 -0.55 8.43 8.22 1l5hA1 GLY 127 HA2 -0.08 0.19 0.68 -0.51 4.01 4.29 1l5hA1 GLY 127 HA3 0.14 0.01 0.31 -0.51 4.01 3.96 1l5hA1 ASP 128 H 0.08 0.26 -0.35 -0.55 8.40 7.84 1l5hA1 ASP 128 HA 0.10 0.05 0.42 -0.75 4.63 4.45 1l5hA1 ASP 128 HB2 0.04 0.10 0.08 -0.04 2.71 2.89 1l5hA1 ASP 128 HB3 0.04 0.07 -0.00 -0.04 2.70 2.76 1l5hA1 LYS 129 H 0.03 0.25 -0.06 -0.55 8.42 8.08 1l5hA1 LYS 129 HA 0.01 0.12 0.42 -0.75 4.32 4.12 1l5hA1 LYS 129 HB2 -0.00 0.03 0.03 -0.04 1.87 1.89 1l5hA1 LYS 129 HB3 -0.01 0.05 -0.00 -0.04 1.79 1.79 1l5hA1 LYS 129 HG2 0.00 0.02 0.01 -0.04 1.46 1.45 1l5hA1 LYS 129 HG3 0.01 -0.01 0.03 -0.04 1.46 1.44 1l5hA1 LYS 129 HD2 -0.01 0.03 0.00 -0.04 1.69 1.67 1l5hA1 LYS 129 HD3 -0.02 0.03 0.00 -0.04 1.68 1.64 1l5hA1 LYS 129 HE2 -0.03 0.03 -0.01 -0.04 2.99 2.94 1l5hA1 LYS 129 HE3 -0.02 -0.02 -0.03 -0.04 2.99 2.88 1l5hA1 LYS 130 H 0.04 0.03 -0.58 -0.55 8.42 7.36 1l5hA1 LYS 130 HA 0.03 0.12 0.43 -0.75 4.32 4.15 1l5hA1 LYS 130 HB2 -0.00 -0.00 0.03 -0.04 1.87 1.86 1l5hA1 LYS 130 HB3 0.13 0.09 0.07 -0.04 1.79 2.04 1l5hA1 LYS 130 HG2 0.11 -0.01 -0.10 -0.04 1.46 1.42 1l5hA1 LYS 130 HG3 0.03 0.03 0.02 -0.04 1.46 1.50 1l5hA1 LYS 130 HD2 -0.08 -0.07 -0.01 -0.04 1.69 1.48 1l5hA1 LYS 130 HD3 0.10 -0.08 -0.03 -0.04 1.68 1.63 1l5hA1 LYS 130 HE2 0.05 0.01 -0.01 -0.04 2.99 2.99 1l5hA1 LYS 130 HE3 0.12 0.11 0.06 -0.04 2.99 3.24 1l5hA1 LEU 131 H 0.12 0.55 -0.04 -0.55 8.37 8.45 1l5hA1 LEU 131 HA 0.00 -0.01 0.33 -0.75 4.35 3.93 1l5hA1 LEU 131 HB2 0.05 0.14 0.20 -0.04 1.64 2.00 1l5hA1 LEU 131 HB3 -0.06 0.06 -0.00 -0.04 1.64 1.60 1l5hA1 LEU 131 HG -0.88 -0.07 -0.04 -0.04 1.64 0.61 1l5hA1 LEU 131 HD13 -0.22 -0.01 -0.09 -0.04 0.93 0.57 1l5hA1 LEU 131 HD23 -0.30 -0.00 -0.05 -0.04 0.89 0.50 1l5hA1 ALA 132 H 0.00 0.42 -0.28 -0.55 8.40 8.01 1l5hA1 ALA 132 HA -0.03 0.05 0.36 -0.75 4.34 3.95 1l5hA1 ALA 132 HB3 -0.01 0.03 0.05 -0.04 1.41 1.44 1l5hA1 LYS 133 H 0.01 0.29 -0.39 -0.55 8.42 7.78 1l5hA1 LYS 133 HA -0.00 0.09 0.51 -0.75 4.32 4.16 1l5hA1 LYS 133 HB2 0.00 0.06 0.12 -0.04 1.87 2.01 1l5hA1 LYS 133 HB3 0.02 0.06 0.19 -0.04 1.79 2.02 1l5hA1 LYS 133 HG2 0.01 -0.03 -0.02 -0.04 1.46 1.38 1l5hA1 LYS 133 HG3 0.01 -0.02 -0.21 -0.04 1.46 1.21 1l5hA1 LYS 133 HD2 0.00 -0.03 0.08 -0.04 1.69 1.71 1l5hA1 LYS 133 HD3 -0.00 0.01 0.02 -0.04 1.68 1.67 1l5hA1 LYS 133 HE2 0.00 0.02 -0.02 -0.04 2.99 2.96 1l5hA1 LYS 133 HE3 -0.00 -0.01 -0.02 -0.04 2.99 2.92 1l5hA1 LEU 134 H 0.02 0.60 0.01 -0.55 8.37 8.46 1l5hA1 LEU 134 HA 0.03 0.06 0.50 -0.75 4.35 4.18 1l5hA1 LEU 134 HB2 0.06 0.01 0.05 -0.04 1.64 1.71 1l5hA1 LEU 134 HB3 0.05 0.05 0.08 -0.04 1.64 1.78 1l5hA1 LEU 134 HG -0.01 0.09 0.01 -0.04 1.64 1.69 1l5hA1 LEU 134 HD13 -0.01 0.01 -0.50 -0.04 0.93 0.38 1l5hA1 LEU 134 HD23 0.09 -0.01 -0.16 -0.04 0.89 0.76 1l5hA1 ILE 135 H -0.03 0.49 -0.25 -0.55 8.25 7.91 1l5hA1 ILE 135 HA -0.07 0.01 0.33 -0.75 4.18 3.70 1l5hA1 ILE 135 HB -0.05 0.13 0.05 -0.04 1.89 1.97 1l5hA1 ILE 135 HG12 -0.13 -0.03 -0.08 -0.04 1.49 1.21 1l5hA1 ILE 135 HG13 -0.10 0.03 -0.01 -0.04 1.21 1.09 1l5hA1 ILE 135 HG23 -0.07 0.00 -0.20 -0.04 0.93 0.62 1l5hA1 ILE 135 HD13 -0.13 -0.03 -0.19 -0.04 0.88 0.50 1l5hA1 ASP 136 H -0.01 0.27 -0.49 -0.55 8.40 7.62 1l5hA1 ASP 136 HA -0.01 0.09 0.48 -0.75 4.63 4.44 1l5hA1 ASP 136 HB2 -0.00 0.12 0.17 -0.04 2.71 2.96 1l5hA1 ASP 136 HB3 0.00 -0.03 -0.03 -0.04 2.70 2.60 1l5hA1 GLU 137 H 0.02 0.29 -0.19 -0.55 8.60 8.18 1l5hA1 GLU 137 HA 0.03 0.05 0.48 -0.75 4.29 4.09 1l5hA1 GLU 137 HB2 0.07 0.06 0.13 -0.04 2.09 2.30 1l5hA1 GLU 137 HB3 0.06 -0.04 0.04 -0.04 1.99 2.02 1l5hA1 GLU 137 HG2 0.02 -0.03 0.00 -0.04 2.34 2.30 1l5hA1 GLU 137 HG3 0.03 0.36 0.10 -0.04 2.34 2.78 1l5hA1 VAL 138 H 0.05 0.59 -0.15 -0.55 8.24 8.18 1l5hA1 VAL 138 HA 0.31 -0.01 0.34 -0.75 4.13 4.02 1l5hA1 VAL 138 HB -0.05 0.14 0.07 -0.04 2.12 2.24 1l5hA1 VAL 138 HG13 -0.19 0.00 -0.19 -0.04 0.97 0.55 1l5hA1 VAL 138 HG23 -0.01 0.03 -0.06 -0.04 0.95 0.86 1l5hA1 GLU 139 H 0.01 0.35 -0.34 -0.55 8.60 8.08 1l5hA1 GLU 139 HA 0.01 0.10 0.26 -0.75 4.29 3.91 1l5hA1 GLU 139 HB2 -0.00 0.08 0.12 -0.04 2.09 2.25 1l5hA1 GLU 139 HB3 0.00 -0.01 -0.05 -0.04 1.99 1.89 1l5hA1 GLU 139 HG2 -0.03 0.03 0.01 -0.04 2.34 2.30 1l5hA1 GLU 139 HG3 -0.02 -0.04 -0.01 -0.04 2.34 2.23 1l5hA1 THR 140 H 0.02 0.26 -0.36 -0.55 8.28 7.65 1l5hA1 THR 140 HA 0.00 0.16 0.75 -0.75 4.39 4.55 1l5hA1 THR 140 HB -0.01 -0.06 0.07 -0.04 4.32 4.28 1l5hA1 THR 140 HG23 0.00 0.04 0.00 -0.04 1.22 1.22 1l5hA1 LEU 141 H 0.01 0.52 -0.02 -0.55 8.37 8.33 1l5hA1 LEU 141 HA -0.20 0.09 0.64 -0.75 4.35 4.13 1l5hA1 LEU 141 HB2 -0.06 0.05 0.06 -0.04 1.64 1.65 1l5hA1 LEU 141 HB3 -0.64 -0.05 0.07 -0.04 1.64 0.97 1l5hA1 LEU 141 HG -0.03 0.03 0.03 -0.04 1.64 1.63 1l5hA1 LEU 141 HD13 0.02 -0.03 -0.03 -0.04 0.93 0.85 1l5hA1 LEU 141 HD23 -0.11 -0.00 -0.01 -0.04 0.89 0.73 1l5hA1 PHE 142 H 0.10 0.52 -0.31 -0.55 8.34 8.11 1l5hA1 PHE 142 HA 0.13 0.14 0.70 -0.75 4.62 4.84 1l5hA1 PHE 142 HB2 -0.09 0.07 0.10 -0.04 3.15 3.19 1l5hA1 PHE 142 HB3 0.01 -0.07 0.02 -0.04 3.06 2.99 1l5hA1 PHE 142 HD2 0.27 0.06 -0.06 -0.04 7.28 7.51 1l5hA1 PHE 142 HE2 0.22 -0.05 -0.02 -0.04 7.38 7.49 1l5hA1 PHE 142 HZ 0.04 -0.07 -0.03 -0.04 7.32 7.21 1l5hA1 PRO 143 HA 0.05 0.20 0.50 -0.51 4.44 4.68 1l5hA1 PRO 143 HB2 0.04 -0.03 0.03 -0.04 2.28 2.27 1l5hA1 PRO 143 HB3 0.02 0.10 0.15 -0.04 2.02 2.24 1l5hA1 PRO 143 HG2 0.06 -0.07 0.06 -0.04 2.03 2.05 1l5hA1 PRO 143 HG3 0.02 0.01 0.04 -0.04 2.03 2.06 1l5hA1 PRO 143 HD2 0.03 0.15 -0.11 -0.04 3.68 3.71 1l5hA1 PRO 143 HD3 -0.01 0.31 -0.32 -0.04 3.65 3.59 1l5hA1 LEU 144 H 0.16 0.11 -0.23 -0.55 8.37 7.86 1l5hA1 LEU 144 HA 0.09 0.14 0.56 -0.75 4.35 4.38 1l5hA1 LEU 144 HB2 0.15 0.07 0.12 -0.04 1.64 1.94 1l5hA1 LEU 144 HB3 0.13 -0.04 0.20 -0.04 1.64 1.89 1l5hA1 LEU 144 HG 0.07 -0.03 0.06 -0.04 1.64 1.69 1l5hA1 LEU 144 HD13 0.06 0.02 -0.11 -0.04 0.93 0.85 1l5hA1 LEU 144 HD23 0.06 -0.03 -0.01 -0.04 0.89 0.86 1l5hA1 ASN 145 H 0.11 0.36 -0.49 -0.55 8.53 7.97 1l5hA1 ASN 145 HA 0.25 0.11 0.55 -0.75 4.76 4.91 1l5hA1 ASN 145 HB2 -0.39 -0.06 0.03 -0.04 2.88 2.41 1l5hA1 ASN 145 HB3 -0.27 0.06 -0.00 -0.04 2.79 2.54 1l5hA1 ASN 145 HD21 -0.06 -0.12 -0.12 -0.04 7.03 6.68 1l5hA1 ASN 145 HD22 -0.02 0.73 0.08 -0.04 7.74 8.48 1l5hA1 LYS 146 H 0.05 0.63 0.34 -0.55 8.42 8.88 1l5hA1 LYS 146 HA 0.02 0.26 0.88 -0.75 4.32 4.72 1l5hA1 LYS 146 HB2 0.04 -0.13 0.08 -0.04 1.87 1.83 1l5hA1 LYS 146 HB3 0.03 -0.06 0.21 -0.04 1.79 1.93 1l5hA1 LYS 146 HG2 0.07 0.19 -0.23 -0.04 1.46 1.45 1l5hA1 LYS 146 HG3 0.08 -0.05 0.12 -0.04 1.46 1.57 1l5hA1 LYS 146 HD2 0.04 0.06 0.03 -0.04 1.69 1.78 1l5hA1 LYS 146 HD3 0.05 0.02 0.03 -0.04 1.68 1.75 1l5hA1 LYS 146 HE2 0.05 -0.11 0.08 -0.04 2.99 2.97 1l5hA1 LYS 146 HE3 0.04 -0.04 0.07 -0.04 2.99 3.01 1l5hA1 GLY 147 H -0.10 0.18 -0.10 -0.55 8.43 7.86 1l5hA1 GLY 147 HA2 -0.08 0.04 0.36 -0.51 4.01 3.82 1l5hA1 GLY 147 HA3 -0.05 0.10 0.64 -0.51 4.01 4.18 1l5hA1 ILE 148 H -0.16 0.72 0.34 -0.55 8.25 8.61 1l5hA1 ILE 148 HA -0.32 0.28 1.07 -0.75 4.18 4.46 1l5hA1 ILE 148 HB -0.21 -0.06 0.03 -0.04 1.89 1.60 1l5hA1 ILE 148 HG12 -0.31 0.06 -0.12 -0.04 1.49 1.07 1l5hA1 ILE 148 HG13 -0.20 -0.12 -0.52 -0.04 1.21 0.33 1l5hA1 ILE 148 HG23 -0.28 0.01 -0.12 -0.04 0.93 0.51 1l5hA1 ILE 148 HD13 -0.16 0.00 -0.12 -0.04 0.88 0.56 1l5hA1 SER 149 H -0.28 0.51 0.32 -0.55 8.46 8.46 1l5hA1 SER 149 HA -0.48 0.08 0.96 -0.75 4.49 4.30 1l5hA1 SER 149 HB2 -0.98 0.03 0.02 -0.04 3.95 2.98 1l5hA1 SER 149 HB3 -0.60 0.04 -0.12 -0.04 3.93 3.22 1l5hA1 VAL 150 H -0.43 0.87 0.26 -0.55 8.24 8.39 1l5hA1 VAL 150 HA -0.21 0.21 1.00 -0.75 4.13 4.38 1l5hA1 VAL 150 HB -0.30 -0.09 0.14 -0.04 2.12 1.83 1l5hA1 VAL 150 HG13 -0.26 -0.02 -0.15 -0.04 0.97 0.49 1l5hA1 VAL 150 HG23 -0.29 0.02 -0.28 -0.04 0.95 0.36 1l5hA1 GLN 151 H -0.09 0.50 0.11 -0.55 8.47 8.45 1l5hA1 GLN 151 HA -0.11 0.07 0.72 -0.75 4.36 4.28 1l5hA1 GLN 151 HB2 0.13 -0.04 0.08 -0.04 2.15 2.28 1l5hA1 GLN 151 HB3 -0.02 -0.04 -0.01 -0.04 2.02 1.90 1l5hA1 GLN 151 HG2 -0.09 0.02 -0.17 -0.04 2.40 2.13 1l5hA1 GLN 151 HG3 -0.07 0.03 -0.13 -0.04 2.39 2.18 1l5hA1 GLN 151 HE21 -0.09 0.06 -0.27 -0.04 6.97 6.63 1l5hA1 GLN 151 HE22 -0.13 -0.09 -0.20 -0.04 7.69 7.23 1l5hA1 SER 152 H -0.04 0.42 0.31 -0.55 8.46 8.61 1l5hA1 SER 152 HA -0.00 0.09 0.60 -0.75 4.49 4.42 1l5hA1 SER 152 HB2 -0.05 -0.16 0.24 -0.04 3.95 3.94 1l5hA1 SER 152 HB3 -0.05 -0.02 -0.01 -0.04 3.93 3.81 1l5hA1 GLU 153 H -0.15 0.48 0.38 -0.55 8.60 8.76 1l5hA1 GLU 153 HA -0.20 0.08 0.78 -0.75 4.29 4.20 1l5hA1 GLU 153 HB2 -0.28 0.08 0.24 -0.04 2.09 2.09 1l5hA1 GLU 153 HB3 -0.26 -0.09 0.17 -0.04 1.99 1.77 1l5hA1 GLU 153 HG2 -0.68 -0.03 -0.07 -0.04 2.34 1.51 1l5hA1 GLU 153 HG3 -0.21 0.15 -0.17 -0.04 2.34 2.07 1l5hA1 CYS 154 H -0.12 0.13 0.23 -0.55 8.50 8.19 1l5hA1 CYS 154 HA -0.02 -0.09 0.40 -0.75 4.58 4.11 1l5hA1 CYS 154 HB2 0.00 0.05 0.18 -0.04 2.97 3.17 1l5hA1 CYS 154 HB3 0.17 0.11 0.01 -0.04 2.97 3.22 1l5hA1 PRO 155 HA 0.05 0.09 0.47 -0.51 4.44 4.54 1l5hA1 PRO 155 HB2 -0.11 -0.01 0.03 -0.04 2.28 2.15 1l5hA1 PRO 155 HB3 0.06 0.10 0.07 -0.04 2.02 2.20 1l5hA1 PRO 155 HG2 -0.05 0.03 0.08 -0.04 2.03 2.05 1l5hA1 PRO 155 HG3 -0.00 0.10 0.07 -0.04 2.03 2.16 1l5hA1 PRO 155 HD2 -0.15 0.05 -0.10 -0.04 3.68 3.44 1l5hA1 PRO 155 HD3 -0.05 0.05 0.12 -0.04 3.65 3.73 1l5hA1 ILE 156 H -0.12 0.35 -0.13 -0.55 8.25 7.81 1l5hA1 ILE 156 HA 0.01 0.01 0.29 -0.75 4.18 3.73 1l5hA1 ILE 156 HB -0.04 0.02 0.08 -0.04 1.89 1.90 1l5hA1 ILE 156 HG12 -0.29 0.05 0.14 -0.04 1.49 1.34 1l5hA1 ILE 156 HG13 -0.12 -0.00 0.05 -0.04 1.21 1.10 1l5hA1 ILE 156 HG23 0.07 0.00 -0.11 -0.04 0.93 0.85 1l5hA1 ILE 156 HD13 -0.60 -0.03 -0.16 -0.04 0.88 0.05 1l5hA1 GLY 157 H 0.07 0.20 -0.15 -0.55 8.43 8.00 1l5hA1 GLY 157 HA2 0.07 0.11 0.51 -0.51 4.01 4.19 1l5hA1 GLY 157 HA3 0.16 -0.01 0.31 -0.51 4.01 3.96 1l5hA1 LEU 158 H 0.17 0.17 -0.04 -0.55 8.37 8.13 1l5hA1 LEU 158 HA 0.02 0.08 0.46 -0.75 4.35 4.16 1l5hA1 LEU 158 HB2 0.03 0.01 0.18 -0.04 1.64 1.83 1l5hA1 LEU 158 HB3 -0.03 0.04 0.04 -0.04 1.64 1.64 1l5hA1 LEU 158 HG 0.19 0.04 0.09 -0.04 1.64 1.92 1l5hA1 LEU 158 HD13 -0.09 -0.02 -0.03 -0.04 0.93 0.75 1l5hA1 LEU 158 HD23 -0.41 0.00 -0.00 -0.04 0.89 0.44 1l5hA1 ILE 159 H 0.05 0.46 0.01 -0.55 8.25 8.21 1l5hA1 ILE 159 HA 0.01 0.15 0.54 -0.75 4.18 4.13 1l5hA1 ILE 159 HB 0.00 0.15 0.20 -0.04 1.89 2.20 1l5hA1 ILE 159 HG12 0.06 -0.03 -0.14 -0.04 1.49 1.34 1l5hA1 ILE 159 HG13 0.06 0.04 0.08 -0.04 1.21 1.34 1l5hA1 ILE 159 HG23 0.03 0.01 0.08 -0.04 0.93 1.01 1l5hA1 ILE 159 HD13 0.13 -0.03 -0.10 -0.04 0.88 0.85 1l5hA1 GLY 160 H 0.04 0.26 -1.12 -0.55 8.43 7.06 1l5hA1 GLY 160 HA2 0.04 0.11 0.30 -0.51 4.01 3.95 1l5hA1 GLY 160 HA3 0.03 -0.00 0.31 -0.51 4.01 3.84 1l5hA1 ASP 161 H 0.06 0.25 -0.07 -0.55 8.40 8.10 1l5hA1 ASP 161 HA 0.06 0.16 0.66 -0.75 4.63 4.75 1l5hA1 ASP 161 HB2 0.11 0.03 0.06 -0.04 2.71 2.87 1l5hA1 ASP 161 HB3 0.12 -0.11 -0.05 -0.04 2.70 2.62 1l5hA1 ASP 162 H 0.05 0.16 0.08 -0.55 8.40 8.14 1l5hA1 ASP 162 HA 0.03 0.21 0.97 -0.75 4.63 5.09 1l5hA1 ASP 162 HB2 0.03 0.17 -0.00 -0.04 2.71 2.87 1l5hA1 ASP 162 HB3 0.03 0.03 0.21 -0.04 2.70 2.92 1l5hA1 ILE 163 H 0.01 0.29 -0.04 -0.55 8.25 7.96 1l5hA1 ILE 163 HA -0.04 0.08 0.39 -0.75 4.18 3.86 1l5hA1 ILE 163 HB -0.16 0.05 -0.00 -0.04 1.89 1.73 1l5hA1 ILE 163 HG12 -0.02 0.02 0.01 -0.04 1.49 1.45 1l5hA1 ILE 163 HG13 -0.10 0.06 -0.19 -0.04 1.21 0.94 1l5hA1 ILE 163 HG23 0.01 0.01 -0.09 -0.04 0.93 0.81 1l5hA1 ILE 163 HD13 -0.09 -0.01 -0.12 -0.04 0.88 0.62 1l5hA1 GLU 164 H -0.00 0.10 -0.23 -0.55 8.60 7.91 1l5hA1 GLU 164 HA -0.06 0.13 0.39 -0.75 4.29 3.99 1l5hA1 GLU 164 HB2 0.07 -0.05 0.06 -0.04 2.09 2.13 1l5hA1 GLU 164 HB3 0.18 0.11 -0.03 -0.04 1.99 2.21 1l5hA1 GLU 164 HG2 0.13 0.08 0.01 -0.04 2.34 2.52 1l5hA1 GLU 164 HG3 0.16 0.08 0.02 -0.04 2.34 2.57 1l5hA1 SER 165 H 0.03 0.14 -0.19 -0.55 8.46 7.90 1l5hA1 SER 165 HA 0.06 0.11 0.41 -0.75 4.49 4.31 1l5hA1 SER 165 HB2 0.02 0.07 0.11 -0.04 3.95 4.10 1l5hA1 SER 165 HB3 0.02 0.04 -0.02 -0.04 3.93 3.93 1l5hA1 VAL 166 H -0.02 0.19 -0.22 -0.55 8.24 7.64 1l5hA1 VAL 166 HA -0.02 0.05 0.37 -0.75 4.13 3.78 1l5hA1 VAL 166 HB -0.08 0.07 0.07 -0.04 2.12 2.14 1l5hA1 VAL 166 HG13 -0.06 -0.01 -0.15 -0.04 0.97 0.71 1l5hA1 VAL 166 HG23 -0.01 0.02 0.03 -0.04 0.95 0.95 1l5hA1 SER 167 H -0.10 0.47 -0.26 -0.55 8.46 8.03 1l5hA1 SER 167 HA -0.16 -0.02 0.31 -0.75 4.49 3.86 1l5hA1 SER 167 HB2 -0.26 0.13 0.22 -0.04 3.95 4.00 1l5hA1 SER 167 HB3 -0.47 0.23 -0.00 -0.04 3.93 3.65 1l5hA1 LYS 168 H 0.07 0.54 0.02 -0.55 8.42 8.49 1l5hA1 LYS 168 HA 0.19 0.07 0.42 -0.75 4.32 4.24 1l5hA1 LYS 168 HB2 0.09 0.01 0.18 -0.04 1.87 2.11 1l5hA1 LYS 168 HB3 0.10 -0.01 0.03 -0.04 1.79 1.87 1l5hA1 LYS 168 HG2 0.33 0.03 0.06 -0.04 1.46 1.84 1l5hA1 LYS 168 HG3 0.37 0.15 0.11 -0.04 1.46 2.04 1l5hA1 LYS 168 HD2 0.11 -0.08 -0.04 -0.04 1.69 1.64 1l5hA1 LYS 168 HD3 0.08 0.02 -0.00 -0.04 1.68 1.73 1l5hA1 LYS 168 HE2 0.03 0.06 -0.00 -0.04 2.99 3.03 1l5hA1 LYS 168 HE3 0.26 -0.06 -0.05 -0.04 2.99 3.09 1l5hA1 VAL 169 H 0.03 0.63 -0.09 -0.55 8.24 8.25 1l5hA1 VAL 169 HA 0.02 0.06 0.48 -0.75 4.13 3.93 1l5hA1 VAL 169 HB 0.00 0.00 0.11 -0.04 2.12 2.19 1l5hA1 VAL 169 HG13 0.00 -0.01 -0.08 -0.04 0.97 0.85 1l5hA1 VAL 169 HG23 0.02 0.03 0.04 -0.04 0.95 1.00 1l5hA1 LYS 170 H -0.02 0.76 0.03 -0.55 8.42 8.64 1l5hA1 LYS 170 HA -0.02 0.03 0.53 -0.75 4.32 4.12 1l5hA1 LYS 170 HB2 -0.06 0.07 0.07 -0.04 1.87 1.92 1l5hA1 LYS 170 HB3 -0.04 -0.03 -0.01 -0.04 1.79 1.67 1l5hA1 LYS 170 HG2 -0.03 0.09 0.12 -0.04 1.46 1.59 1l5hA1 LYS 170 HG3 -0.05 -0.09 -0.02 -0.04 1.46 1.27 1l5hA1 LYS 170 HD2 -0.02 -0.00 -0.07 -0.04 1.69 1.56 1l5hA1 LYS 170 HD3 -0.02 -0.08 0.00 -0.04 1.68 1.54 1l5hA1 LYS 170 HE2 -0.03 0.08 0.04 -0.04 2.99 3.04 1l5hA1 LYS 170 HE3 -0.03 0.00 0.01 -0.04 2.99 2.94 1l5hA1 GLY 171 H -0.01 0.67 -0.07 -0.55 8.43 8.47 1l5hA1 GLY 171 HA2 -0.02 -0.06 0.35 -0.51 4.01 3.78 1l5hA1 GLY 171 HA3 0.02 0.13 0.36 -0.51 4.01 4.00 1l5hA1 ALA 172 H 0.03 0.48 -0.18 -0.55 8.40 8.18 1l5hA1 ALA 172 HA 0.02 0.04 0.44 -0.75 4.34 4.09 1l5hA1 ALA 172 HB3 0.02 0.00 0.13 -0.04 1.41 1.53 1l5hA1 GLU 173 H 0.00 0.37 -0.22 -0.55 8.60 8.21 1l5hA1 GLU 173 HA 0.00 -0.00 0.42 -0.75 4.29 3.96 1l5hA1 GLU 173 HB2 -0.00 0.07 0.20 -0.04 2.09 2.31 1l5hA1 GLU 173 HB3 -0.01 0.05 0.22 -0.04 1.99 2.21 1l5hA1 GLU 173 HG2 -0.00 0.03 -0.15 -0.04 2.34 2.17 1l5hA1 GLU 173 HG3 -0.00 -0.04 0.04 -0.04 2.34 2.30 1l5hA1 LEU 174 H -0.01 0.67 -0.00 -0.55 8.37 8.49 1l5hA1 LEU 174 HA -0.00 0.11 0.61 -0.75 4.35 4.30 1l5hA1 LEU 174 HB2 -0.02 -0.02 -0.02 -0.04 1.64 1.53 1l5hA1 LEU 174 HB3 -0.01 0.00 0.08 -0.04 1.64 1.66 1l5hA1 LEU 174 HG -0.02 0.02 0.03 -0.04 1.64 1.64 1l5hA1 LEU 174 HD13 -0.03 -0.03 -0.11 -0.04 0.93 0.72 1l5hA1 LEU 174 HD23 -0.01 0.00 -0.07 -0.04 0.89 0.77 1l5hA1 SER 175 H 0.00 0.27 -0.56 -0.55 8.46 7.62 1l5hA1 SER 175 HA 0.01 0.04 0.33 -0.75 4.49 4.11 1l5hA1 SER 175 HB2 0.01 0.15 0.02 -0.04 3.95 4.08 1l5hA1 SER 175 HB3 0.01 -0.10 0.20 -0.04 3.93 4.00 1l5hA1 LYS 176 H -0.00 0.27 -0.08 -0.55 8.42 8.05 1l5hA1 LYS 176 HA -0.00 0.23 0.87 -0.75 4.32 4.66 1l5hA1 LYS 176 HB2 -0.03 -0.06 -0.17 -0.04 1.87 1.57 1l5hA1 LYS 176 HB3 -0.05 -0.09 -0.17 -0.04 1.79 1.44 1l5hA1 LYS 176 HG2 -0.02 0.07 -0.07 -0.04 1.46 1.40 1l5hA1 LYS 176 HG3 -0.02 0.17 -0.21 -0.04 1.46 1.36 1l5hA1 LYS 176 HD2 -0.05 -0.04 -0.13 -0.04 1.69 1.42 1l5hA1 LYS 176 HD3 -0.07 -0.17 -0.17 -0.04 1.68 1.23 1l5hA1 LYS 176 HE2 -0.05 -0.08 -0.17 -0.04 2.99 2.64 1l5hA1 LYS 176 HE3 -0.02 0.01 -0.08 -0.04 2.99 2.86 1l5hA1 THR 177 H -0.01 0.20 0.09 -0.55 8.28 8.01 1l5hA1 THR 177 HA 0.04 0.18 0.76 -0.75 4.39 4.62 1l5hA1 THR 177 HB 0.01 -0.06 0.23 -0.04 4.32 4.45 1l5hA1 THR 177 HG23 0.08 0.00 -0.15 -0.04 1.22 1.11 1l5hA1 ILE 178 H -0.04 0.30 0.12 -0.55 8.25 8.08 1l5hA1 ILE 178 HA -0.22 0.38 0.97 -0.75 4.18 4.56 1l5hA1 ILE 178 HB -0.18 0.03 0.14 -0.04 1.89 1.84 1l5hA1 ILE 178 HG12 -0.14 0.02 -0.24 -0.04 1.49 1.10 1l5hA1 ILE 178 HG13 -0.08 0.06 -0.35 -0.04 1.21 0.80 1l5hA1 ILE 178 HG23 -0.26 -0.04 -0.23 -0.04 0.93 0.36 1l5hA1 ILE 178 HD13 -0.10 -0.00 -0.19 -0.04 0.88 0.55 1l5hA1 VAL 179 H -0.41 0.62 0.32 -0.55 8.24 8.22 1l5hA1 VAL 179 HA -1.00 0.28 0.90 -0.75 4.13 3.56 1l5hA1 VAL 179 HB -0.78 -0.12 0.12 -0.04 2.12 1.30 1l5hA1 VAL 179 HG13 -0.60 -0.01 -0.28 -0.04 0.97 0.04 1l5hA1 VAL 179 HG23 -0.14 0.04 -0.26 -0.04 0.95 0.55 1l5hA1 PRO 180 HA -0.40 0.05 0.67 -0.51 4.44 4.25 1l5hA1 PRO 180 HB2 -0.25 -0.09 -0.14 -0.04 2.28 1.76 1l5hA1 PRO 180 HB3 -0.38 0.06 -0.16 -0.04 2.02 1.50 1l5hA1 PRO 180 HG2 -0.55 0.02 0.14 -0.04 2.03 1.60 1l5hA1 PRO 180 HG3 -0.62 0.03 0.07 -0.04 2.03 1.47 1l5hA1 PRO 180 HD2 -2.66 0.17 0.27 -0.04 3.68 1.42 1l5hA1 PRO 180 HD3 -1.25 0.25 0.06 -0.04 3.65 2.67 1l5hA1 VAL 181 H -0.26 0.68 0.35 -0.55 8.24 8.45 1l5hA1 VAL 181 HA -0.13 0.24 0.96 -0.75 4.13 4.45 1l5hA1 VAL 181 HB -0.21 -0.08 0.13 -0.04 2.12 1.91 1l5hA1 VAL 181 HG13 -0.01 -0.01 -0.18 -0.04 0.97 0.73 1l5hA1 VAL 181 HG23 -0.51 0.05 -0.29 -0.04 0.95 0.16 1l5hA1 ARG 182 H -0.04 0.30 0.02 -0.55 8.46 8.18 1l5hA1 ARG 182 HA -0.06 0.07 0.66 -0.75 4.34 4.26 1l5hA1 ARG 182 HB2 -0.02 0.07 0.15 -0.04 1.90 2.06 1l5hA1 ARG 182 HB3 -0.05 0.02 0.27 -0.04 1.80 2.00 1l5hA1 ARG 182 HG2 -0.00 0.08 0.03 -0.04 1.67 1.74 1l5hA1 ARG 182 HG3 -0.02 -0.03 0.04 -0.04 1.67 1.61 1l5hA1 ARG 182 HD2 -0.04 -0.03 -0.21 -0.04 3.22 2.90 1l5hA1 ARG 182 HD3 -0.02 0.06 -0.13 -0.04 3.22 3.09 1l5hA1 CYS 183 H -0.05 0.31 -0.34 -0.55 8.50 7.86 1l5hA1 CYS 183 HA -0.07 0.25 0.71 -0.75 4.58 4.71 1l5hA1 CYS 183 HB2 -0.01 -0.02 -0.11 -0.04 2.97 2.78 1l5hA1 CYS 183 HB3 -0.01 0.04 -0.08 -0.04 2.97 2.88 1l5hA1 GLU 184 H -0.17 0.12 -0.52 -0.55 8.60 7.49 1l5hA1 GLU 184 HA -0.17 0.02 0.01 -0.75 4.29 3.40 1l5hA1 GLU 184 HB2 -0.64 0.07 0.03 -0.04 2.09 1.51 1l5hA1 GLU 184 HB3 -0.73 -0.06 -0.04 -0.04 1.99 1.12 1l5hA1 GLU 184 HG2 -0.06 -0.08 0.04 -0.04 2.34 2.21 1l5hA1 GLU 184 HG3 -0.11 0.16 -0.26 -0.04 2.34 2.09 1l5hA1 GLY 185 H -0.14 -0.03 0.22 -0.55 8.43 7.93 1l5hA1 GLY 185 HA2 -0.06 -0.18 0.44 -0.51 4.01 3.71 1l5hA1 GLY 185 HA3 -0.05 0.01 0.43 -0.51 4.01 3.88 1l5hA1 PHE 186 H -0.33 -0.02 -0.19 -0.55 8.34 7.24 1l5hA1 PHE 186 HA -0.02 0.15 0.50 -0.75 4.62 4.49 1l5hA1 PHE 186 HB2 -0.02 0.09 0.07 -0.04 3.15 3.25 1l5hA1 PHE 186 HB3 -0.03 -0.05 0.08 -0.04 3.06 3.02 1l5hA1 PHE 186 HD2 -0.02 -0.02 -0.16 -0.04 7.28 7.04 1l5hA1 PHE 186 HE2 -0.02 0.09 0.02 -0.04 7.38 7.42 1l5hA1 PHE 186 HZ -0.02 0.00 -0.04 -0.04 7.32 7.22 1l5hA1 ARG 187 H -0.57 0.18 -0.26 -0.55 8.46 7.25 1l5hA1 ARG 187 HA 0.03 0.00 0.39 -0.75 4.34 4.00 1l5hA1 ARG 187 HB2 -0.19 0.01 0.02 -0.04 1.90 1.71 1l5hA1 ARG 187 HB3 -0.10 -0.02 -0.01 -0.04 1.80 1.63 1l5hA1 ARG 187 HG2 -0.20 0.01 0.02 -0.04 1.67 1.46 1l5hA1 ARG 187 HG3 -0.68 -0.07 0.02 -0.04 1.67 0.91 1l5hA1 ARG 187 HD2 -0.17 0.04 0.05 -0.04 3.22 3.11 1l5hA1 ARG 187 HD3 -0.10 0.01 0.03 -0.04 3.22 3.11 1l5hA1 GLY 188 H 0.02 0.06 0.19 -0.55 8.43 8.16 1l5hA1 GLY 188 HA2 0.00 0.04 0.39 -0.51 4.01 3.93 1l5hA1 GLY 188 HA3 -0.02 -0.07 0.43 -0.51 4.01 3.83 1l5hA1 VAL 189 H -0.01 0.04 0.15 -0.55 8.24 7.88 1l5hA1 VAL 189 HA -0.00 0.33 0.97 -0.75 4.13 4.67 1l5hA1 VAL 189 HB -0.01 0.06 0.22 -0.04 2.12 2.36 1l5hA1 VAL 189 HG13 0.01 0.02 -0.07 -0.04 0.97 0.89 1l5hA1 VAL 189 HG23 -0.00 -0.01 -0.03 -0.04 0.95 0.87 1l5hA1 SER 190 H -0.04 0.22 -0.00 -0.55 8.46 8.10 1l5hA1 SER 190 HA -0.06 0.37 0.39 -0.75 4.49 4.44 1l5hA1 SER 190 HB2 -0.07 -0.10 0.20 -0.04 3.95 3.95 1l5hA1 SER 190 HB3 -0.04 0.37 -0.13 -0.04 3.93 4.08 1l5hA1 GLN 191 H -0.12 0.22 0.06 -0.55 8.47 8.08 1l5hA1 GLN 191 HA -0.18 0.15 0.13 -0.75 4.36 3.71 1l5hA1 GLN 191 HB2 -0.23 0.02 0.05 -0.04 2.15 1.95 1l5hA1 GLN 191 HB3 -0.40 -0.01 -0.04 -0.04 2.02 1.53 1l5hA1 GLN 191 HG2 -0.11 0.02 -0.10 -0.04 2.40 2.17 1l5hA1 GLN 191 HG3 -0.11 -0.02 -0.07 -0.04 2.39 2.15 1l5hA1 GLN 191 HE21 -0.13 0.10 -0.02 -0.04 6.97 6.88 1l5hA1 GLN 191 HE22 -0.10 -0.11 0.07 -0.04 7.69 7.51 1l5hA1 SER 192 H -0.18 0.11 -0.26 -0.55 8.46 7.59 1l5hA1 SER 192 HA -0.20 0.08 0.30 -0.75 4.49 3.91 1l5hA1 SER 192 HB2 -0.02 0.03 0.05 -0.04 3.95 3.97 1l5hA1 SER 192 HB3 -0.02 -0.03 -0.01 -0.04 3.93 3.83 1l5hA1 LEU 193 H -0.06 0.21 -0.27 -0.55 8.37 7.70 1l5hA1 LEU 193 HA 0.01 0.08 0.41 -0.75 4.35 4.09 1l5hA1 LEU 193 HB2 -0.03 -0.05 0.08 -0.04 1.64 1.60 1l5hA1 LEU 193 HB3 -0.06 0.14 -0.03 -0.04 1.64 1.65 1l5hA1 LEU 193 HG -0.08 -0.00 -0.13 -0.04 1.64 1.39 1l5hA1 LEU 193 HD13 -0.10 0.00 0.04 -0.04 0.93 0.84 1l5hA1 LEU 193 HD23 -0.05 0.02 -0.17 -0.04 0.89 0.64 1l5hA1 GLY 194 H -0.12 0.27 -0.25 -0.55 8.43 7.78 1l5hA1 GLY 194 HA2 -0.02 0.01 0.44 -0.51 4.01 3.93 1l5hA1 GLY 194 HA3 -0.06 0.09 0.44 -0.51 4.01 3.97 1l5hA1 HIS 195 H -0.11 0.45 -0.15 -0.55 8.41 8.06 1l5hA1 HIS 195 HA 0.06 0.04 0.35 -0.75 4.63 4.33 1l5hA1 HIS 195 HB2 0.20 0.23 0.21 -0.04 3.26 3.86 1l5hA1 HIS 195 HB3 0.16 0.11 0.14 -0.04 3.20 3.57 1l5hA1 HIS 195 HD2 -0.04 0.17 -0.05 -0.04 6.97 7.01 1l5hA1 HIS 195 HE1 -0.07 -0.04 -0.12 -0.04 7.75 7.48 1l5hA1 HIS 196 H 0.18 0.44 -0.12 -0.55 8.41 8.37 1l5hA1 HIS 196 HA -0.54 -0.01 0.41 -0.75 4.63 3.73 1l5hA1 HIS 196 HB2 -0.55 0.03 0.12 -0.04 3.26 2.83 1l5hA1 HIS 196 HB3 -0.23 0.11 0.14 -0.04 3.20 3.17 1l5hA1 HIS 196 HD2 -0.26 -0.01 -0.01 -0.04 6.97 6.64 1l5hA1 HIS 196 HE1 -0.15 0.03 -0.03 -0.04 7.75 7.56 1l5hA1 ILE 197 H 0.03 0.57 -0.14 -0.55 8.25 8.17 1l5hA1 ILE 197 HA -0.01 0.05 0.47 -0.75 4.18 3.93 1l5hA1 ILE 197 HB 0.01 0.03 0.06 -0.04 1.89 1.95 1l5hA1 ILE 197 HG12 -0.14 -0.06 -0.00 -0.04 1.49 1.25 1l5hA1 ILE 197 HG13 -0.06 0.47 0.07 -0.04 1.21 1.65 1l5hA1 ILE 197 HG23 -0.01 0.01 -0.12 -0.04 0.93 0.77 1l5hA1 ILE 197 HD13 -0.08 -0.03 -0.02 -0.04 0.88 0.71 1l5hA1 ALA 198 H 0.14 0.73 -0.09 -0.55 8.40 8.63 1l5hA1 ALA 198 HA 0.39 -0.02 0.42 -0.75 4.34 4.37 1l5hA1 ALA 198 HB3 0.21 0.00 0.12 -0.04 1.41 1.70 1l5hA1 ASN 199 H 0.16 0.54 -0.21 -0.55 8.53 8.48 1l5hA1 ASN 199 HA 0.12 0.04 0.49 -0.75 4.76 4.65 1l5hA1 ASN 199 HB2 0.16 0.12 0.16 -0.04 2.88 3.28 1l5hA1 ASN 199 HB3 0.16 -0.11 -0.00 -0.04 2.79 2.79 1l5hA1 ASN 199 HD21 0.14 0.61 0.28 -0.04 7.03 8.01 1l5hA1 ASN 199 HD22 0.58 -0.23 -0.08 -0.04 7.74 7.97 1l5hA1 ASP 200 H 0.14 0.47 -0.13 -0.55 8.40 8.32 1l5hA1 ASP 200 HA 0.06 0.04 0.42 -0.75 4.63 4.40 1l5hA1 ASP 200 HB2 0.08 0.08 0.13 -0.04 2.71 2.97 1l5hA1 ASP 200 HB3 0.06 -0.02 0.03 -0.04 2.70 2.74 1l5hA1 ALA 201 H 0.23 0.39 -0.31 -0.55 8.40 8.17 1l5hA1 ALA 201 HA 0.42 0.06 0.41 -0.75 4.34 4.47 1l5hA1 ALA 201 HB3 0.27 0.04 0.03 -0.04 1.41 1.71 1l5hA1 VAL 202 H 0.33 0.37 -0.26 -0.55 8.24 8.14 1l5hA1 VAL 202 HA 0.37 0.01 0.35 -0.75 4.13 4.11 1l5hA1 VAL 202 HB 0.05 0.16 0.18 -0.04 2.12 2.46 1l5hA1 VAL 202 HG13 -0.35 -0.02 -0.08 -0.04 0.97 0.47 1l5hA1 VAL 202 HG23 -0.40 0.09 0.04 -0.04 0.95 0.64 1l5hA1 ARG 203 H 0.12 0.54 -0.14 -0.55 8.46 8.43 1l5hA1 ARG 203 HA 0.06 -0.01 0.38 -0.75 4.34 4.02 1l5hA1 ARG 203 HB2 -0.06 -0.04 0.09 -0.04 1.90 1.85 1l5hA1 ARG 203 HB3 -0.02 0.07 0.20 -0.04 1.80 2.01 1l5hA1 ARG 203 HG2 -0.14 0.02 -0.17 -0.04 1.67 1.34 1l5hA1 ARG 203 HG3 -0.85 -0.03 -0.05 -0.04 1.67 0.70 1l5hA1 ARG 203 HD2 -0.10 0.07 -0.10 -0.04 3.22 3.04 1l5hA1 ARG 203 HD3 -0.21 0.00 -0.11 -0.04 3.22 2.86 1l5hA1 ASP 204 H 0.10 0.69 -0.04 -0.55 8.40 8.61 1l5hA1 ASP 204 HA -0.12 0.09 0.45 -0.75 4.63 4.29 1l5hA1 ASP 204 HB2 0.04 0.01 0.08 -0.04 2.71 2.79 1l5hA1 ASP 204 HB3 -0.45 -0.04 0.05 -0.04 2.70 2.22 1l5hA1 TRP 205 H 0.33 0.38 -0.19 -0.55 7.97 7.94 1l5hA1 TRP 205 HA 0.01 0.27 1.09 -0.75 4.62 5.23 1l5hA1 TRP 205 HB2 0.04 0.02 -0.02 -0.04 3.23 3.22 1l5hA1 TRP 205 HB3 -0.01 -0.01 0.01 -0.04 3.23 3.18 1l5hA1 TRP 205 HD1 0.03 0.10 0.07 -0.04 7.22 7.37 1l5hA1 TRP 205 HE1 -0.02 -0.07 0.00 -0.04 10.20 10.07 1l5hA1 TRP 205 HE3 -0.03 0.03 0.05 -0.04 7.59 7.60 1l5hA1 TRP 205 HZ2 -0.03 -0.10 0.03 -0.04 7.44 7.29 1l5hA1 TRP 205 HZ3 -0.03 -0.01 0.01 -0.04 7.13 7.06 1l5hA1 TRP 205 HH2 -0.03 -0.06 0.05 -0.04 7.19 7.11 1l5hA1 VAL 206 H 0.20 0.41 0.06 -0.55 8.24 8.36 1l5hA1 VAL 206 HA 0.10 0.25 1.08 -0.75 4.13 4.82 1l5hA1 VAL 206 HB 0.06 -0.00 0.16 -0.04 2.12 2.30 1l5hA1 VAL 206 HG13 -0.05 -0.01 -0.16 -0.04 0.97 0.70 1l5hA1 VAL 206 HG23 0.34 -0.01 -0.18 -0.04 0.95 1.06 1l5hA1 LEU 207 H 0.02 0.64 0.18 -0.55 8.37 8.67 1l5hA1 LEU 207 HA -0.08 0.06 0.21 -0.75 4.35 3.78 1l5hA1 LEU 207 HB2 0.02 -0.09 -0.08 -0.04 1.64 1.45 1l5hA1 LEU 207 HB3 0.12 0.12 0.09 -0.04 1.64 1.93 1l5hA1 LEU 207 HG 0.17 0.06 -0.13 -0.04 1.64 1.70 1l5hA1 LEU 207 HD13 -0.04 -0.01 0.03 -0.04 0.93 0.87 1l5hA1 LEU 207 HD23 0.27 -0.03 -0.05 -0.04 0.89 1.05 1l5hA1 GLY 208 H 0.06 0.17 -0.38 -0.55 8.43 7.74 1l5hA1 GLY 208 HA2 0.12 0.21 0.72 -0.51 4.01 4.54 1l5hA1 GLY 208 HA3 0.10 0.01 0.27 -0.51 4.01 3.88 1l5hA1 LYS 209 H 0.01 0.63 -0.24 -0.55 8.42 8.27 1l5hA1 LYS 209 HA 0.02 0.04 0.32 -0.75 4.32 3.94 1l5hA1 LYS 209 HB2 0.02 0.14 0.13 -0.04 1.87 2.13 1l5hA1 LYS 209 HB3 -0.00 -0.03 0.03 -0.04 1.79 1.74 1l5hA1 LYS 209 HG2 0.01 -0.04 -0.07 -0.04 1.46 1.31 1l5hA1 LYS 209 HG3 0.02 -0.01 0.08 -0.04 1.46 1.52 1l5hA1 LYS 209 HD2 0.01 -0.05 -0.00 -0.04 1.69 1.61 1l5hA1 LYS 209 HD3 0.03 -0.01 -0.01 -0.04 1.68 1.65 1l5hA1 LYS 209 HE2 0.05 -0.08 0.04 -0.04 2.99 2.96 1l5hA1 LYS 209 HE3 0.06 0.00 0.03 -0.04 2.99 3.05 1l5hA1 ARG 210 H -0.01 0.24 -0.36 -0.55 8.46 7.79 1l5hA1 ARG 210 HA 0.01 0.13 0.92 -0.75 4.34 4.65 1l5hA1 ARG 210 HB2 -0.00 -0.03 0.17 -0.04 1.90 2.00 1l5hA1 ARG 210 HB3 -0.00 0.00 -0.02 -0.04 1.80 1.74 1l5hA1 ARG 210 HG2 -0.05 0.08 0.05 -0.04 1.67 1.71 1l5hA1 ARG 210 HG3 -0.08 0.06 0.02 -0.04 1.67 1.63 1l5hA1 ARG 210 HD2 -0.03 -0.04 -0.15 -0.04 3.22 2.97 1l5hA1 ARG 210 HD3 -0.07 -0.05 -0.13 -0.04 3.22 2.92 1l5hA1 ASP 211 H 0.04 0.33 -0.14 -0.55 8.40 8.07 1l5hA1 ASP 211 HA 0.09 0.22 0.68 -0.75 4.63 4.86 1l5hA1 ASP 211 HB2 0.06 0.03 0.08 -0.04 2.71 2.85 1l5hA1 ASP 211 HB3 0.10 -0.01 0.06 -0.04 2.70 2.81 1l5hA1 GLU 212 H 0.03 0.05 -0.09 -0.55 8.60 8.05 1l5hA1 GLU 212 HA 0.04 0.25 0.81 -0.75 4.29 4.63 1l5hA1 GLU 212 HB2 0.02 -0.01 0.14 -0.04 2.09 2.20 1l5hA1 GLU 212 HB3 0.02 -0.00 -0.01 -0.04 1.99 1.96 1l5hA1 GLU 212 HG2 0.02 0.03 -0.01 -0.04 2.34 2.33 1l5hA1 GLU 212 HG3 0.02 0.01 -0.34 -0.04 2.34 1.99 1l5hA1 ASP 213 H 0.03 0.21 -0.48 -0.55 8.40 7.62 1l5hA1 ASP 213 HA 0.04 0.11 0.88 -0.75 4.63 4.91 1l5hA1 ASP 213 HB2 0.03 0.00 0.01 -0.04 2.71 2.71 1l5hA1 ASP 213 HB3 0.03 0.13 0.08 -0.04 2.70 2.90 1l5hA1 THR 214 H 0.05 0.09 0.15 -0.55 8.28 8.02 1l5hA1 THR 214 HA 0.09 0.32 0.96 -0.75 4.39 5.01 1l5hA1 THR 214 HB 0.05 0.04 0.13 -0.04 4.32 4.50 1l5hA1 THR 214 HG23 0.04 0.03 -0.25 -0.04 1.22 1.01 1l5hA1 THR 215 H 0.07 0.03 0.05 -0.55 8.28 7.88 1l5hA1 THR 215 HA 0.04 0.10 0.35 -0.75 4.39 4.12 1l5hA1 THR 215 HB 0.05 0.02 0.12 -0.04 4.32 4.46 1l5hA1 THR 215 HG23 0.04 -0.01 0.07 -0.04 1.22 1.27 1l5hA1 PHE 216 H 0.20 -0.00 -0.88 -0.55 8.34 7.11 1l5hA1 PHE 216 HA 0.01 0.01 0.47 -0.75 4.62 4.36 1l5hA1 PHE 216 HB2 0.01 -0.03 -0.04 -0.04 3.15 3.05 1l5hA1 PHE 216 HB3 0.01 0.07 0.01 -0.04 3.06 3.11 1l5hA1 PHE 216 HD2 0.01 -0.01 -0.07 -0.04 7.28 7.18 1l5hA1 PHE 216 HE2 0.03 0.06 -0.05 -0.04 7.38 7.38 1l5hA1 PHE 216 HZ 0.03 -0.07 -0.07 -0.04 7.32 7.17 1l5hA1 ALA 217 H -0.42 0.12 0.15 -0.55 8.40 7.70 1l5hA1 ALA 217 HA -0.25 0.13 0.73 -0.75 4.34 4.19 1l5hA1 ALA 217 HB3 -0.18 -0.00 0.13 -0.04 1.41 1.31 1l5hA1 SER 218 H -0.29 0.22 0.14 -0.55 8.46 7.98 1l5hA1 SER 218 HA -0.37 0.11 0.73 -0.75 4.49 4.20 1l5hA1 SER 218 HB2 0.09 0.04 0.18 -0.04 3.95 4.22 1l5hA1 SER 218 HB3 0.11 0.08 0.05 -0.04 3.93 4.13 1l5hA1 THR 219 H 0.01 0.21 0.28 -0.55 8.28 8.23 1l5hA1 THR 219 HA -0.05 0.23 0.82 -0.75 4.39 4.64 1l5hA1 THR 219 HB -0.00 0.04 0.15 -0.04 4.32 4.48 1l5hA1 THR 219 HG23 -0.02 0.04 -0.17 -0.04 1.22 1.04 1l5hA1 PRO 220 HA -0.07 0.19 0.57 -0.51 4.44 4.62 1l5hA1 PRO 220 HB2 -0.40 0.02 0.14 -0.04 2.28 2.00 1l5hA1 PRO 220 HB3 -0.19 0.05 0.14 -0.04 2.02 1.97 1l5hA1 PRO 220 HG2 -1.30 0.04 -0.02 -0.04 2.03 0.70 1l5hA1 PRO 220 HG3 -0.38 0.03 0.08 -0.04 2.03 1.71 1l5hA1 PRO 220 HD2 -0.13 0.08 0.23 -0.04 3.68 3.82 1l5hA1 PRO 220 HD3 -0.13 0.17 0.20 -0.04 3.65 3.85 1l5hA1 TYR 221 H -0.02 0.00 -0.44 -0.55 8.29 7.28 1l5hA1 TYR 221 HA 0.08 0.31 0.95 -0.75 4.56 5.14 1l5hA1 TYR 221 HB2 -0.04 0.01 0.06 -0.04 3.06 3.04 1l5hA1 TYR 221 HB3 -0.19 -0.06 0.18 -0.04 2.98 2.88 1l5hA1 TYR 221 HD2 -0.22 0.06 -0.02 -0.04 7.15 6.93 1l5hA1 TYR 221 HE2 0.05 -0.06 -0.01 -0.04 6.85 6.79 1l5hA1 ASP 222 H 0.14 0.27 -0.10 -0.55 8.40 8.15 1l5hA1 ASP 222 HA 0.14 0.24 0.62 -0.75 4.63 4.88 1l5hA1 ASP 222 HB2 0.16 0.03 0.28 -0.04 2.71 3.13 1l5hA1 ASP 222 HB3 0.18 0.03 0.09 -0.04 2.70 2.97 1l5hA1 VAL 223 H 0.12 0.49 0.43 -0.55 8.24 8.73 1l5hA1 VAL 223 HA 0.15 0.27 0.97 -0.75 4.13 4.77 1l5hA1 VAL 223 HB 0.14 0.10 -0.19 -0.04 2.12 2.13 1l5hA1 VAL 223 HG13 0.04 -0.04 -0.31 -0.04 0.97 0.62 1l5hA1 VAL 223 HG23 0.16 -0.02 -0.07 -0.04 0.95 0.98 1l5hA1 ALA 224 H 0.08 0.48 0.33 -0.55 8.40 8.74 1l5hA1 ALA 224 HA 0.06 0.08 1.05 -0.75 4.34 4.78 1l5hA1 ALA 224 HB3 0.09 0.02 0.04 -0.04 1.41 1.52 1l5hA1 ILE 225 H -0.01 0.64 0.35 -0.55 8.25 8.68 1l5hA1 ILE 225 HA -0.02 0.19 0.89 -0.75 4.18 4.49 1l5hA1 ILE 225 HB -0.04 -0.02 0.25 -0.04 1.89 2.05 1l5hA1 ILE 225 HG12 -0.08 -0.07 -0.06 -0.04 1.49 1.25 1l5hA1 ILE 225 HG13 -0.12 0.04 -0.10 -0.04 1.21 0.99 1l5hA1 ILE 225 HG23 0.03 -0.05 -0.13 -0.04 0.93 0.74 1l5hA1 ILE 225 HD13 0.00 -0.01 -0.12 -0.04 0.88 0.72 1l5hA1 ILE 226 H -0.17 0.87 0.37 -0.55 8.25 8.78 1l5hA1 ILE 226 HA -0.92 0.13 0.97 -0.75 4.18 3.61 1l5hA1 ILE 226 HB -0.35 0.09 -0.00 -0.04 1.89 1.59 1l5hA1 ILE 226 HG12 -0.55 0.05 -0.12 -0.04 1.49 0.83 1l5hA1 ILE 226 HG13 -1.89 -0.04 -0.09 -0.04 1.21 -0.85 1l5hA1 ILE 226 HG23 -0.70 -0.03 -0.20 -0.04 0.93 -0.04 1l5hA1 ILE 226 HD13 -0.16 -0.01 -0.39 -0.04 0.88 0.27 1l5hA1 GLY 227 H -0.70 0.36 0.19 -0.55 8.43 7.73 1l5hA1 GLY 227 HA2 -0.59 0.10 0.31 -0.51 4.01 3.32 1l5hA1 GLY 227 HA3 -0.41 0.01 0.49 -0.51 4.01 3.58 1l5hA1 ASP 228 H -0.47 0.34 -0.21 -0.55 8.40 7.52 1l5hA1 ASP 228 HA -0.64 0.11 0.93 -0.75 4.63 4.27 1l5hA1 ASP 228 HB2 -0.13 0.10 -0.10 -0.04 2.71 2.53 1l5hA1 ASP 228 HB3 -0.21 0.10 0.00 -0.04 2.70 2.54 1l5hA1 TYR 229 H -0.52 0.16 0.10 -0.55 8.29 7.48 1l5hA1 TYR 229 HA -0.14 0.19 0.69 -0.75 4.56 4.54 1l5hA1 TYR 229 HB2 -0.20 -0.09 0.06 -0.04 3.06 2.79 1l5hA1 TYR 229 HB3 -0.07 0.10 0.10 -0.04 2.98 3.07 1l5hA1 TYR 229 HD2 -0.14 -0.03 -0.02 -0.04 7.15 6.92 1l5hA1 TYR 229 HE2 -0.18 0.02 -0.02 -0.04 6.85 6.63 1l5hA1 ASN 230 H -0.28 0.03 -0.37 -0.55 8.53 7.36 1l5hA1 ASN 230 HA -0.33 -0.39 0.24 -0.75 4.76 3.52 1l5hA1 ASN 230 HB2 -0.29 0.14 -0.27 -0.04 2.88 2.41 1l5hA1 ASN 230 HB3 -0.28 0.27 -0.03 -0.04 2.79 2.70 1l5hA1 ASN 230 HD21 -2.94 0.00 -0.13 -0.04 7.03 3.92 1l5hA1 ASN 230 HD22 -0.76 0.60 -0.09 -0.04 7.74 7.45 1l5hA1 ILE 231 H -0.30 -0.01 -0.24 -0.55 8.25 7.15 1l5hA1 ILE 231 HA -0.26 0.49 0.46 -0.75 4.18 4.12 1l5hA1 ILE 231 HB -0.47 -0.12 0.13 -0.04 1.89 1.38 1l5hA1 ILE 231 HG12 -0.29 -0.16 -0.07 -0.04 1.49 0.93 1l5hA1 ILE 231 HG13 -0.92 0.03 -0.02 -0.04 1.21 0.25 1l5hA1 ILE 231 HG23 -0.44 0.06 -0.08 -0.04 0.93 0.43 1l5hA1 ILE 231 HD13 0.14 0.07 -0.21 -0.04 0.88 0.84 1l5hA1 GLY 232 H -0.76 0.53 0.33 -0.55 8.43 7.98 1l5hA1 GLY 232 HA2 -1.08 0.22 0.34 -0.51 4.01 2.99 1l5hA1 GLY 232 HA3 -0.52 0.00 0.45 -0.51 4.01 3.43 1l5hA1 GLY 233 H -0.61 0.18 -1.11 -0.55 8.43 6.36 1l5hA1 GLY 233 HA2 -0.61 0.06 0.21 -0.51 4.01 3.16 1l5hA1 GLY 233 HA3 -0.12 0.33 0.76 -0.51 4.01 4.47 1l5hA1 ASP 234 H -0.35 0.47 -0.25 -0.55 8.40 7.72 1l5hA1 ASP 234 HA -0.12 0.06 0.32 -0.75 4.63 4.14 1l5hA1 ASP 234 HB2 -0.35 -0.18 0.11 -0.04 2.71 2.25 1l5hA1 ASP 234 HB3 -0.29 0.05 -0.05 -0.04 2.70 2.37 1l5hA1 ALA 235 H -0.25 0.00 -0.25 -0.55 8.40 7.35 1l5hA1 ALA 235 HA -0.01 0.08 0.41 -0.75 4.34 4.07 1l5hA1 ALA 235 HB3 -0.15 0.02 -0.06 -0.04 1.41 1.18 1l5hA1 TRP 236 H -0.02 0.21 -0.20 -0.55 7.97 7.41 1l5hA1 TRP 236 HA 0.03 0.13 0.47 -0.75 4.62 4.50 1l5hA1 TRP 236 HB2 0.03 0.12 0.10 -0.04 3.23 3.44 1l5hA1 TRP 236 HB3 0.04 0.05 -0.02 -0.04 3.23 3.26 1l5hA1 TRP 236 HD1 0.04 -0.00 -0.13 -0.04 7.22 7.09 1l5hA1 TRP 236 HE1 0.07 0.09 -0.07 -0.04 10.20 10.25 1l5hA1 TRP 236 HE3 0.09 0.03 -0.02 -0.04 7.59 7.65 1l5hA1 TRP 236 HZ2 0.09 -0.08 -0.21 -0.04 7.44 7.20 1l5hA1 TRP 236 HZ3 0.14 0.05 -0.07 -0.04 7.13 7.21 1l5hA1 TRP 236 HH2 0.01 0.12 -0.20 -0.04 7.19 7.07 1l5hA1 SER 237 H 0.19 0.46 -0.17 -0.55 8.46 8.39 1l5hA1 SER 237 HA 0.14 0.07 0.36 -0.75 4.49 4.31 1l5hA1 SER 237 HB2 0.12 0.06 0.01 -0.04 3.95 4.10 1l5hA1 SER 237 HB3 0.08 0.02 0.02 -0.04 3.93 4.01 1l5hA1 SER 238 H 0.13 0.14 -0.72 -0.55 8.46 7.46 1l5hA1 SER 238 HA 0.25 0.06 0.74 -0.75 4.49 4.80 1l5hA1 SER 238 HB2 0.07 0.07 0.12 -0.04 3.95 4.17 1l5hA1 SER 238 HB3 -0.01 -0.01 -0.07 -0.04 3.93 3.81 1l5hA1 ARG 239 H 0.12 0.68 0.07 -0.55 8.46 8.78 1l5hA1 ARG 239 HA 0.05 -0.01 0.32 -0.75 4.34 3.94 1l5hA1 ARG 239 HB2 0.12 0.05 0.14 -0.04 1.90 2.18 1l5hA1 ARG 239 HB3 0.17 0.05 0.13 -0.04 1.80 2.11 1l5hA1 ARG 239 HG2 0.07 0.01 -0.07 -0.04 1.67 1.64 1l5hA1 ARG 239 HG3 0.07 -0.04 0.01 -0.04 1.67 1.67 1l5hA1 ARG 239 HD2 0.17 -0.02 -0.06 -0.04 3.22 3.26 1l5hA1 ARG 239 HD3 0.15 -0.01 -0.05 -0.04 3.22 3.26 1l5hA1 ILE 240 H 0.11 0.25 -0.58 -0.55 8.25 7.48 1l5hA1 ILE 240 HA 0.06 0.11 0.39 -0.75 4.18 3.98 1l5hA1 ILE 240 HB 0.09 0.12 0.04 -0.04 1.89 2.10 1l5hA1 ILE 240 HG12 0.11 -0.02 -0.05 -0.04 1.49 1.49 1l5hA1 ILE 240 HG13 0.11 -0.01 -0.15 -0.04 1.21 1.12 1l5hA1 ILE 240 HG23 0.07 -0.02 -0.13 -0.04 0.93 0.82 1l5hA1 ILE 240 HD13 0.05 0.01 -0.00 -0.04 0.88 0.90 1l5hA1 LEU 241 H 0.05 0.22 -0.21 -0.55 8.37 7.89 1l5hA1 LEU 241 HA 0.08 0.07 0.41 -0.75 4.35 4.15 1l5hA1 LEU 241 HB2 -0.05 0.09 0.17 -0.04 1.64 1.81 1l5hA1 LEU 241 HB3 -0.11 0.02 0.00 -0.04 1.64 1.51 1l5hA1 LEU 241 HG -0.07 0.10 0.15 -0.04 1.64 1.78 1l5hA1 LEU 241 HD13 -0.60 -0.08 0.11 -0.04 0.93 0.31 1l5hA1 LEU 241 HD23 -0.04 -0.01 -0.00 -0.04 0.89 0.80 1l5hA1 LEU 242 H 0.06 0.39 -0.09 -0.55 8.37 8.18 1l5hA1 LEU 242 HA -0.00 0.05 0.25 -0.75 4.35 3.89 1l5hA1 LEU 242 HB2 0.01 0.07 -0.06 -0.04 1.64 1.62 1l5hA1 LEU 242 HB3 -0.02 0.01 -0.07 -0.04 1.64 1.52 1l5hA1 LEU 242 HG 0.09 0.04 -0.07 -0.04 1.64 1.66 1l5hA1 LEU 242 HD13 -0.16 -0.02 -0.16 -0.04 0.93 0.55 1l5hA1 LEU 242 HD23 0.04 0.00 -0.09 -0.04 0.89 0.80 1l5hA1 GLU 243 H 0.02 0.28 -0.69 -0.55 8.60 7.67 1l5hA1 GLU 243 HA -0.03 0.33 0.92 -0.75 4.29 4.76 1l5hA1 GLU 243 HB2 0.02 0.07 0.09 -0.04 2.09 2.22 1l5hA1 GLU 243 HB3 0.01 -0.02 0.09 -0.04 1.99 2.02 1l5hA1 GLU 243 HG2 0.01 0.13 -0.08 -0.04 2.34 2.36 1l5hA1 GLU 243 HG3 0.02 0.06 -0.07 -0.04 2.34 2.31 1l5hA1 GLU 244 H 0.03 0.43 -0.01 -0.55 8.60 8.51 1l5hA1 GLU 244 HA 0.01 0.06 0.53 -0.75 4.29 4.14 1l5hA1 GLU 244 HB2 0.09 0.08 0.17 -0.04 2.09 2.39 1l5hA1 GLU 244 HB3 0.06 -0.06 0.10 -0.04 1.99 2.05 1l5hA1 GLU 244 HG2 0.05 -0.03 0.05 -0.04 2.34 2.38 1l5hA1 GLU 244 HG3 0.08 0.19 0.07 -0.04 2.34 2.64 1l5hA1 MET 245 H -0.02 0.11 -0.72 -0.55 8.47 7.29 1l5hA1 MET 245 HA -0.05 0.11 0.53 -0.75 4.52 4.36 1l5hA1 MET 245 HB2 -0.01 0.01 -0.09 -0.04 2.15 2.02 1l5hA1 MET 245 HB3 -0.06 0.10 -0.04 -0.04 2.03 1.99 1l5hA1 MET 245 HG2 -0.10 -0.01 0.10 -0.04 2.63 2.58 1l5hA1 MET 245 HG3 -0.04 -0.05 -0.00 -0.04 2.56 2.43 1l5hA1 MET 245 HE3 -0.04 -0.02 -0.08 -0.04 2.10 1.93 1l5hA1 GLY 246 H -0.09 0.37 -0.45 -0.55 8.43 7.71 1l5hA1 GLY 246 HA2 -0.16 0.02 0.26 -0.51 4.01 3.61 1l5hA1 GLY 246 HA3 -0.30 0.07 0.60 -0.51 4.01 3.87 1l5hA1 LEU 247 H -0.16 0.22 -0.18 -0.55 8.37 7.70 1l5hA1 LEU 247 HA -0.18 0.11 0.61 -0.75 4.35 4.13 1l5hA1 LEU 247 HB2 -0.09 0.16 -0.01 -0.04 1.64 1.66 1l5hA1 LEU 247 HB3 -0.09 -0.01 -0.02 -0.04 1.64 1.48 1l5hA1 LEU 247 HG -0.25 0.01 -0.10 -0.04 1.64 1.26 1l5hA1 LEU 247 HD13 -0.08 -0.03 -0.11 -0.04 0.93 0.68 1l5hA1 LEU 247 HD23 -0.80 0.02 -0.12 -0.04 0.89 -0.05 1l5hA1 ARG 248 H 0.04 0.57 0.08 -0.55 8.46 8.60 1l5hA1 ARG 248 HA 0.03 0.18 0.85 -0.75 4.34 4.65 1l5hA1 ARG 248 HB2 0.07 0.05 -0.09 -0.04 1.90 1.88 1l5hA1 ARG 248 HB3 0.10 -0.09 0.00 -0.04 1.80 1.77 1l5hA1 ARG 248 HG2 0.09 -0.02 -0.34 -0.04 1.67 1.37 1l5hA1 ARG 248 HG3 0.06 0.03 -0.08 -0.04 1.67 1.64 1l5hA1 ARG 248 HD2 0.06 0.02 -0.07 -0.04 3.22 3.20 1l5hA1 ARG 248 HD3 0.06 -0.00 -0.06 -0.04 3.22 3.18 1l5hA1 CYS 249 H 0.04 0.20 -0.06 -0.55 8.50 8.13 1l5hA1 CYS 249 HA 0.07 0.16 0.54 -0.75 4.58 4.59 1l5hA1 CYS 249 HB2 0.06 0.02 0.10 -0.04 2.97 3.11 1l5hA1 CYS 249 HB3 0.06 -0.04 -0.10 -0.04 2.97 2.85 1l5hA1 VAL 250 H 0.11 0.51 0.44 -0.55 8.24 8.75 1l5hA1 VAL 250 HA 0.12 0.09 0.54 -0.75 4.13 4.12 1l5hA1 VAL 250 HB 0.12 0.04 0.04 -0.04 2.12 2.28 1l5hA1 VAL 250 HG13 0.06 -0.00 -0.15 -0.04 0.97 0.84 1l5hA1 VAL 250 HG23 0.24 0.04 0.01 -0.04 0.95 1.20 1l5hA1 ALA 251 H 0.10 0.26 0.16 -0.55 8.40 8.38 1l5hA1 ALA 251 HA 0.17 0.17 0.99 -0.75 4.34 4.91 1l5hA1 ALA 251 HB3 0.28 0.02 -0.08 -0.04 1.41 1.58 1l5hA1 GLN 252 H 0.20 0.27 -0.04 -0.55 8.47 8.36 1l5hA1 GLN 252 HA 0.00 0.24 0.95 -0.75 4.36 4.80 1l5hA1 GLN 252 HB2 0.10 -0.01 -0.10 -0.04 2.15 2.09 1l5hA1 GLN 252 HB3 0.14 0.06 0.12 -0.04 2.02 2.30 1l5hA1 GLN 252 HG2 0.04 0.13 -0.22 -0.04 2.40 2.31 1l5hA1 GLN 252 HG3 0.02 -0.10 -0.01 -0.04 2.39 2.26 1l5hA1 GLN 252 HE21 0.23 -0.10 -0.20 -0.04 6.97 6.86 1l5hA1 GLN 252 HE22 0.03 0.24 -0.21 -0.04 7.69 7.71 1l5hA1 TRP 253 H -0.27 0.39 0.11 -0.55 7.97 7.65 1l5hA1 TRP 253 HA -0.03 0.43 1.30 -0.75 4.62 5.57 1l5hA1 TRP 253 HB2 -0.10 0.01 -0.02 -0.04 3.23 3.08 1l5hA1 TRP 253 HB3 -0.04 -0.00 -0.08 -0.04 3.23 3.07 1l5hA1 TRP 253 HD1 -0.03 -0.09 -0.38 -0.04 7.22 6.67 1l5hA1 TRP 253 HE1 -0.05 0.09 -0.09 -0.04 10.20 10.12 1l5hA1 TRP 253 HE3 -0.19 0.03 -0.18 -0.04 7.59 7.21 1l5hA1 TRP 253 HZ2 -0.05 0.10 -0.06 -0.04 7.44 7.39 1l5hA1 TRP 253 HZ3 -0.20 -0.01 -0.04 -0.04 7.13 6.83 1l5hA1 TRP 253 HH2 -0.08 -0.01 -0.05 -0.04 7.19 7.02 1l5hA1 SER 254 H 0.24 0.18 -0.01 -0.55 8.46 8.32 1l5hA1 SER 254 HA 0.12 0.15 0.25 -0.75 4.49 4.26 1l5hA1 SER 254 HB2 -0.13 0.31 0.80 -0.04 3.95 4.88 1l5hA1 SER 254 HB3 0.24 -0.04 0.13 -0.04 3.93 4.22 1l5hA1 GLY 255 H -0.06 0.42 -0.02 -0.55 8.43 8.22 1l5hA1 GLY 255 HA2 0.04 0.10 0.19 -0.51 4.01 3.83 1l5hA1 GLY 255 HA3 -0.08 -0.16 -0.06 -0.51 4.01 3.20 1l5hA1 ASP 256 H 0.09 0.27 0.18 -0.55 8.40 8.39 1l5hA1 ASP 256 HA 0.25 -0.03 0.46 -0.75 4.63 4.55 1l5hA1 ASP 256 HB2 0.08 0.06 -0.04 -0.04 2.71 2.76 1l5hA1 ASP 256 HB3 0.23 0.11 -0.01 -0.04 2.70 2.98 1l5hA1 GLY 257 H 0.12 0.55 -0.39 -0.55 8.43 8.16 1l5hA1 GLY 257 HA2 0.17 0.31 0.48 -0.51 4.01 4.46 1l5hA1 GLY 257 HA3 0.15 -0.23 0.24 -0.51 4.01 3.66 1l5hA1 SER 258 H 0.11 0.24 0.24 -0.55 8.46 8.50 1l5hA1 SER 258 HA 0.08 0.10 0.86 -0.75 4.49 4.77 1l5hA1 SER 258 HB2 0.09 0.20 0.02 -0.04 3.95 4.22 1l5hA1 SER 258 HB3 0.07 -0.03 0.14 -0.04 3.93 4.07 1l5hA1 ILE 259 H 0.05 0.22 0.12 -0.55 8.25 8.09 1l5hA1 ILE 259 HA -0.03 0.08 0.39 -0.75 4.18 3.86 1l5hA1 ILE 259 HB 0.07 0.00 -0.01 -0.04 1.89 1.91 1l5hA1 ILE 259 HG12 0.03 0.19 -0.02 -0.04 1.49 1.66 1l5hA1 ILE 259 HG13 -0.00 -0.02 -0.17 -0.04 1.21 0.99 1l5hA1 ILE 259 HG23 0.03 0.06 0.05 -0.04 0.93 1.03 1l5hA1 ILE 259 HD13 0.09 -0.01 -0.04 -0.04 0.88 0.89 1l5hA1 SER 260 H 0.01 0.08 -0.09 -0.55 8.46 7.91 1l5hA1 SER 260 HA -0.03 0.14 0.32 -0.75 4.49 4.17 1l5hA1 SER 260 HB2 0.02 0.05 0.10 -0.04 3.95 4.08 1l5hA1 SER 260 HB3 0.02 -0.05 0.04 -0.04 3.93 3.90 1l5hA1 GLU 261 H -0.00 0.01 -0.34 -0.55 8.60 7.72 1l5hA1 GLU 261 HA -0.00 0.17 0.39 -0.75 4.29 4.10 1l5hA1 GLU 261 HB2 0.08 -0.01 0.09 -0.04 2.09 2.20 1l5hA1 GLU 261 HB3 0.15 -0.12 0.07 -0.04 1.99 2.06 1l5hA1 GLU 261 HG2 0.08 0.21 0.10 -0.04 2.34 2.69 1l5hA1 GLU 261 HG3 0.07 -0.11 0.07 -0.04 2.34 2.32 1l5hA1 ILE 262 H -0.24 0.36 -0.30 -0.55 8.25 7.52 1l5hA1 ILE 262 HA -1.15 -0.03 0.33 -0.75 4.18 2.58 1l5hA1 ILE 262 HB -0.38 0.21 0.08 -0.04 1.89 1.75 1l5hA1 ILE 262 HG12 -1.29 -0.10 -0.02 -0.04 1.49 0.04 1l5hA1 ILE 262 HG13 -0.42 0.18 0.11 -0.04 1.21 1.03 1l5hA1 ILE 262 HG23 -1.00 -0.02 -0.13 -0.04 0.93 -0.26 1l5hA1 ILE 262 HD13 -0.33 -0.03 -0.05 -0.04 0.88 0.43 1l5hA1 GLU 263 H -0.18 0.34 -0.22 -0.55 8.60 8.00 1l5hA1 GLU 263 HA -0.14 0.14 0.41 -0.75 4.29 3.95 1l5hA1 GLU 263 HB2 -0.09 0.11 0.06 -0.04 2.09 2.13 1l5hA1 GLU 263 HB3 -0.07 -0.05 0.02 -0.04 1.99 1.84 1l5hA1 GLU 263 HG2 -0.05 0.12 -0.02 -0.04 2.34 2.35 1l5hA1 GLU 263 HG3 -0.09 -0.03 -0.04 -0.04 2.34 2.13 1l5hA1 LEU 264 H -0.14 0.23 -0.50 -0.55 8.37 7.41 1l5hA1 LEU 264 HA -0.29 0.17 0.68 -0.75 4.35 4.15 1l5hA1 LEU 264 HB2 -0.15 0.06 0.05 -0.04 1.64 1.55 1l5hA1 LEU 264 HB3 -0.30 -0.05 -0.11 -0.04 1.64 1.15 1l5hA1 LEU 264 HG -1.01 -0.01 -0.03 -0.04 1.64 0.55 1l5hA1 LEU 264 HD13 -0.20 0.04 -0.16 -0.04 0.93 0.57 1l5hA1 LEU 264 HD23 -0.08 -0.01 -0.08 -0.04 0.89 0.68 1l5hA1 THR 265 H -0.07 0.28 -0.27 -0.55 8.28 7.67 1l5hA1 THR 265 HA 0.09 -0.08 0.24 -0.75 4.39 3.90 1l5hA1 THR 265 HB 0.12 0.13 0.03 -0.04 4.32 4.57 1l5hA1 THR 265 HG23 0.33 -0.04 -0.12 -0.04 1.22 1.35 1l5hA1 PRO 266 HA -0.30 0.06 0.43 -0.51 4.44 4.12 1l5hA1 PRO 266 HB2 -0.48 0.09 -0.07 -0.04 2.28 1.77 1l5hA1 PRO 266 HB3 -1.65 -0.02 0.05 -0.04 2.02 0.36 1l5hA1 PRO 266 HG2 -0.27 0.25 0.04 -0.04 2.03 2.01 1l5hA1 PRO 266 HG3 -0.30 -0.10 -0.03 -0.04 2.03 1.56 1l5hA1 PRO 266 HD2 -0.19 0.29 -0.42 -0.04 3.68 3.32 1l5hA1 PRO 266 HD3 -0.11 0.08 -0.04 -0.04 3.65 3.54 1l5hA1 LYS 267 H -0.18 0.55 -0.47 -0.55 8.42 7.77 1l5hA1 LYS 267 HA -0.01 0.15 0.62 -0.75 4.32 4.32 1l5hA1 LYS 267 HB2 -0.46 0.03 0.04 -0.04 1.87 1.43 1l5hA1 LYS 267 HB3 0.11 -0.09 0.14 -0.04 1.79 1.91 1l5hA1 LYS 267 HG2 -0.29 0.04 0.05 -0.04 1.46 1.22 1l5hA1 LYS 267 HG3 -0.56 -0.13 0.03 -0.04 1.46 0.76 1l5hA1 LYS 267 HD2 0.08 -0.04 0.03 -0.04 1.69 1.71 1l5hA1 LYS 267 HD3 -0.07 0.03 -0.15 -0.04 1.68 1.45 1l5hA1 LYS 267 HE2 -0.10 0.01 0.06 -0.04 2.99 2.92 1l5hA1 LYS 267 HE3 0.01 -0.15 0.04 -0.04 2.99 2.85 1l5hA1 VAL 268 H -0.00 0.31 -0.50 -0.55 8.24 7.49 1l5hA1 VAL 268 HA 0.13 0.09 0.81 -0.75 4.13 4.41 1l5hA1 VAL 268 HB 0.12 -0.08 -0.15 -0.04 2.12 1.96 1l5hA1 VAL 268 HG13 0.08 -0.02 -0.24 -0.04 0.97 0.75 1l5hA1 VAL 268 HG23 0.07 0.11 -0.20 -0.04 0.95 0.90 1l5hA1 LYS 269 H 0.14 0.40 0.23 -0.55 8.42 8.63 1l5hA1 LYS 269 HA 0.06 0.21 0.77 -0.75 4.32 4.61 1l5hA1 LYS 269 HB2 0.18 0.05 0.06 -0.04 1.87 2.12 1l5hA1 LYS 269 HB3 0.05 -0.02 0.10 -0.04 1.79 1.88 1l5hA1 LYS 269 HG2 0.12 -0.06 0.07 -0.04 1.46 1.55 1l5hA1 LYS 269 HG3 0.09 -0.04 0.04 -0.04 1.46 1.51 1l5hA1 LYS 269 HD2 0.04 -0.03 0.01 -0.04 1.69 1.67 1l5hA1 LYS 269 HD3 0.07 0.14 -0.26 -0.04 1.68 1.59 1l5hA1 LYS 269 HE2 0.07 0.03 -0.03 -0.04 2.99 3.02 1l5hA1 LYS 269 HE3 0.03 -0.10 -0.05 -0.04 2.99 2.82 1l5hA1 LEU 270 H 0.14 0.19 0.21 -0.55 8.37 8.36 1l5hA1 LEU 270 HA 0.07 0.30 0.73 -0.75 4.35 4.70 1l5hA1 LEU 270 HB2 -0.01 0.13 -0.17 -0.04 1.64 1.54 1l5hA1 LEU 270 HB3 0.23 -0.08 -0.02 -0.04 1.64 1.73 1l5hA1 LEU 270 HG 0.12 -0.10 -0.36 -0.04 1.64 1.26 1l5hA1 LEU 270 HD13 0.01 0.02 -0.10 -0.04 0.93 0.82 1l5hA1 LEU 270 HD23 0.12 -0.01 -0.11 -0.04 0.89 0.85 1l5hA1 ASN 271 H 0.14 0.49 0.20 -0.55 8.53 8.81 1l5hA1 ASN 271 HA 0.09 0.13 1.08 -0.75 4.76 5.31 1l5hA1 ASN 271 HB2 0.21 0.25 0.12 -0.04 2.88 3.42 1l5hA1 ASN 271 HB3 0.12 -0.14 -0.08 -0.04 2.79 2.65 1l5hA1 ASN 271 HD21 0.10 0.01 -0.15 -0.04 7.03 6.96 1l5hA1 ASN 271 HD22 0.09 0.01 -0.12 -0.04 7.74 7.68 1l5hA1 LEU 272 H 0.07 0.73 0.34 -0.55 8.37 8.96 1l5hA1 LEU 272 HA 0.19 0.24 0.83 -0.75 4.35 4.85 1l5hA1 LEU 272 HB2 0.04 -0.07 0.10 -0.04 1.64 1.67 1l5hA1 LEU 272 HB3 0.14 -0.05 -0.07 -0.04 1.64 1.62 1l5hA1 LEU 272 HG 0.08 -0.01 -0.22 -0.04 1.64 1.45 1l5hA1 LEU 272 HD13 -0.07 -0.01 -0.17 -0.04 0.93 0.64 1l5hA1 LEU 272 HD23 0.10 0.04 -0.18 -0.04 0.89 0.80 1l5hA1 VAL 273 H 0.18 0.81 0.31 -0.55 8.24 8.99 1l5hA1 VAL 273 HA -0.08 0.30 1.05 -0.75 4.13 4.65 1l5hA1 VAL 273 HB 0.20 0.04 -0.09 -0.04 2.12 2.23 1l5hA1 VAL 273 HG13 -0.11 -0.04 -0.51 -0.04 0.97 0.27 1l5hA1 VAL 273 HG23 -0.09 0.02 -0.31 -0.04 0.95 0.53 1l5hA1 HIS 274 H -0.18 0.46 0.12 -0.55 8.41 8.26 1l5hA1 HIS 274 HA -0.89 0.20 0.62 -0.75 4.63 3.80 1l5hA1 HIS 274 HB2 -0.44 0.00 -0.03 -0.04 3.26 2.75 1l5hA1 HIS 274 HB3 -0.35 0.06 -0.07 -0.04 3.20 2.79 1l5hA1 HIS 274 HD2 -0.04 -0.01 -0.06 -0.04 6.97 6.82 1l5hA1 HIS 274 HE1 0.23 -0.01 -0.04 -0.04 7.75 7.89 1l5hA1 CYS 275 H -0.15 0.27 0.08 -0.55 8.50 8.14 1l5hA1 CYS 275 HA -0.01 0.16 0.90 -0.75 4.58 4.87 1l5hA1 CYS 275 HB2 -0.05 0.05 0.11 -0.04 2.97 3.04 1l5hA1 CYS 275 HB3 -0.13 0.06 0.25 -0.04 2.97 3.11 1l5hA1 TYR 276 H 0.06 0.33 0.04 -0.55 8.29 8.17 1l5hA1 TYR 276 HA -0.20 0.10 0.32 -0.75 4.56 4.03 1l5hA1 TYR 276 HB2 -0.04 0.07 0.00 -0.04 3.06 3.06 1l5hA1 TYR 276 HB3 -0.03 0.12 0.05 -0.04 2.98 3.08 1l5hA1 TYR 276 HD2 -0.08 0.01 -0.11 -0.04 7.15 6.92 1l5hA1 TYR 276 HE2 -0.03 0.04 -0.03 -0.04 6.85 6.79 1l5hA1 ARG 277 H -0.98 0.12 -0.05 -0.55 8.46 6.99 1l5hA1 ARG 277 HA -0.83 0.11 0.30 -0.75 4.34 3.16 1l5hA1 ARG 277 HB2 -0.36 -0.05 0.03 -0.04 1.90 1.49 1l5hA1 ARG 277 HB3 -0.23 0.02 -0.02 -0.04 1.80 1.53 1l5hA1 ARG 277 HG2 -0.61 0.06 0.05 -0.04 1.67 1.13 1l5hA1 ARG 277 HG3 -1.01 -0.02 0.07 -0.04 1.67 0.67 1l5hA1 ARG 277 HD2 -0.12 -0.02 0.02 -0.04 3.22 3.06 1l5hA1 ARG 277 HD3 -0.10 -0.01 0.01 -0.04 3.22 3.07 1l5hA1 SER 278 H -0.28 0.11 -0.55 -0.55 8.46 7.19 1l5hA1 SER 278 HA -0.07 0.24 1.00 -0.75 4.49 4.90 1l5hA1 SER 278 HB2 -0.71 0.03 0.05 -0.04 3.95 3.28 1l5hA1 SER 278 HB3 -0.78 -0.05 -0.09 -0.04 3.93 2.97 1l5hA1 MET 279 H -0.26 0.24 -0.03 -0.55 8.47 7.87 1l5hA1 MET 279 HA -0.12 0.21 0.94 -0.75 4.52 4.80 1l5hA1 MET 279 HB2 -0.27 0.12 -0.06 -0.04 2.15 1.90 1l5hA1 MET 279 HB3 -0.31 0.00 0.01 -0.04 2.03 1.70 1l5hA1 MET 279 HG2 -0.17 -0.09 -0.30 -0.04 2.63 2.04 1l5hA1 MET 279 HG3 -0.35 -0.13 -0.03 -0.04 2.56 2.01 1l5hA1 MET 279 HE3 -0.26 -0.01 -0.01 -0.04 2.10 1.78 1l5hA1 ASN 280 H -0.39 0.58 0.09 -0.55 8.53 8.26 1l5hA1 ASN 280 HA -0.59 0.08 0.36 -0.75 4.76 3.85 1l5hA1 ASN 280 HB2 -0.29 0.02 -0.00 -0.04 2.88 2.57 1l5hA1 ASN 280 HB3 -0.10 0.04 0.10 -0.04 2.79 2.79 1l5hA1 ASN 280 HD21 -0.89 0.01 -0.06 -0.04 7.03 6.05 1l5hA1 ASN 280 HD22 -0.40 0.37 -0.02 -0.04 7.74 7.65 1l5hA1 TYR 281 H -0.72 0.12 -0.29 -0.55 8.29 6.86 1l5hA1 TYR 281 HA -0.15 0.08 0.28 -0.75 4.56 4.02 1l5hA1 TYR 281 HB2 -0.10 -0.07 0.01 -0.04 3.06 2.86 1l5hA1 TYR 281 HB3 -0.19 0.07 -0.03 -0.04 2.98 2.79 1l5hA1 TYR 281 HD2 -0.19 0.07 -0.11 -0.04 7.15 6.89 1l5hA1 TYR 281 HE2 -0.05 0.01 -0.06 -0.04 6.85 6.71 1l5hA1 ILE 282 H 0.08 0.12 -0.21 -0.55 8.25 7.69 1l5hA1 ILE 282 HA 0.12 0.05 0.33 -0.75 4.18 3.93 1l5hA1 ILE 282 HB 0.15 -0.06 0.07 -0.04 1.89 2.01 1l5hA1 ILE 282 HG12 0.37 -0.00 -0.02 -0.04 1.49 1.81 1l5hA1 ILE 282 HG13 0.26 0.05 -0.00 -0.04 1.21 1.48 1l5hA1 ILE 282 HG23 0.05 0.05 -0.14 -0.04 0.93 0.85 1l5hA1 ILE 282 HD13 0.16 0.02 0.02 -0.04 0.88 1.03 1l5hA1 SER 283 H -0.25 0.27 -0.68 -0.55 8.46 7.25 1l5hA1 SER 283 HA -0.22 0.10 0.42 -0.75 4.49 4.04 1l5hA1 SER 283 HB2 -1.12 0.11 0.16 -0.04 3.95 3.06 1l5hA1 SER 283 HB3 -1.37 -0.01 -0.08 -0.04 3.93 2.43 1l5hA1 ARG 284 H -0.30 0.52 0.06 -0.55 8.46 8.18 1l5hA1 ARG 284 HA 0.07 0.08 0.42 -0.75 4.34 4.15 1l5hA1 ARG 284 HB2 0.02 0.08 0.11 -0.04 1.90 2.07 1l5hA1 ARG 284 HB3 0.09 -0.02 0.01 -0.04 1.80 1.84 1l5hA1 ARG 284 HG2 0.16 -0.01 -0.00 -0.04 1.67 1.78 1l5hA1 ARG 284 HG3 -0.28 0.02 0.04 -0.04 1.67 1.40 1l5hA1 ARG 284 HD2 -0.05 -0.01 -0.16 -0.04 3.22 2.95 1l5hA1 ARG 284 HD3 0.05 -0.00 -0.04 -0.04 3.22 3.19 1l5hA1 HIS 285 H 0.11 0.34 -0.22 -0.55 8.41 8.10 1l5hA1 HIS 285 HA 0.04 0.04 0.45 -0.75 4.63 4.40 1l5hA1 HIS 285 HB2 0.04 -0.02 0.04 -0.04 3.26 3.29 1l5hA1 HIS 285 HB3 0.06 0.05 0.06 -0.04 3.20 3.32 1l5hA1 HIS 285 HD2 0.01 -0.02 0.01 -0.04 6.97 6.92 1l5hA1 HIS 285 HE1 0.10 0.07 -0.10 -0.04 7.75 7.77 1l5hA1 MET 286 H 0.11 0.40 -0.30 -0.55 8.47 8.14 1l5hA1 MET 286 HA 0.17 0.03 0.42 -0.75 4.52 4.38 1l5hA1 MET 286 HB2 0.12 0.13 0.08 -0.04 2.15 2.45 1l5hA1 MET 286 HB3 0.19 0.04 0.01 -0.04 2.03 2.23 1l5hA1 MET 286 HG2 0.34 -0.03 -0.02 -0.04 2.63 2.88 1l5hA1 MET 286 HG3 0.28 0.10 0.05 -0.04 2.56 2.95 1l5hA1 MET 286 HE3 0.20 0.00 -0.14 -0.04 2.10 2.13 1l5hA1 GLU 287 H 0.07 0.26 -0.60 -0.55 8.60 7.78 1l5hA1 GLU 287 HA 0.12 0.01 0.58 -0.75 4.29 4.24 1l5hA1 GLU 287 HB2 0.28 0.16 0.05 -0.04 2.09 2.54 1l5hA1 GLU 287 HB3 0.16 0.12 0.10 -0.04 1.99 2.33 1l5hA1 GLU 287 HG2 0.10 -0.04 -0.16 -0.04 2.34 2.20 1l5hA1 GLU 287 HG3 0.11 0.01 -0.21 -0.04 2.34 2.21 1l5hA1 GLU 288 H -0.05 0.28 -0.14 -0.55 8.60 8.15 1l5hA1 GLU 288 HA -0.02 0.15 0.65 -0.75 4.29 4.32 1l5hA1 GLU 288 HB2 -0.10 0.02 0.13 -0.04 2.09 2.10 1l5hA1 GLU 288 HB3 -0.03 -0.02 0.04 -0.04 1.99 1.94 1l5hA1 GLU 288 HG2 0.02 0.16 0.13 -0.04 2.34 2.61 1l5hA1 GLU 288 HG3 0.03 -0.07 0.00 -0.04 2.34 2.26 1l5hA1 LYS 289 H -0.34 0.42 0.11 -0.55 8.42 8.06 1l5hA1 LYS 289 HA -0.27 0.08 0.49 -0.75 4.32 3.86 1l5hA1 LYS 289 HB2 -0.52 -0.07 0.10 -0.04 1.87 1.35 1l5hA1 LYS 289 HB3 -0.94 0.04 0.05 -0.04 1.79 0.89 1l5hA1 LYS 289 HG2 -1.06 0.07 -0.05 -0.04 1.46 0.39 1l5hA1 LYS 289 HG3 -0.35 -0.03 0.07 -0.04 1.46 1.11 1l5hA1 LYS 289 HD2 -0.08 -0.06 -0.02 -0.04 1.69 1.49 1l5hA1 LYS 289 HD3 -0.36 0.02 -0.06 -0.04 1.68 1.23 1l5hA1 LYS 289 HE2 -0.09 -0.03 -0.00 -0.04 2.99 2.83 1l5hA1 LYS 289 HE3 0.02 -0.02 -0.03 -0.04 2.99 2.92 1l5hA1 TYR 290 H -0.08 -0.02 -0.45 -0.55 8.29 7.19 1l5hA1 TYR 290 HA -0.01 0.20 0.90 -0.75 4.56 4.91 1l5hA1 TYR 290 HB2 0.01 0.22 0.09 -0.04 3.06 3.33 1l5hA1 TYR 290 HB3 0.02 0.10 0.13 -0.04 2.98 3.18 1l5hA1 TYR 290 HD2 -0.01 0.03 0.04 -0.04 7.15 7.16 1l5hA1 TYR 290 HE2 0.03 -0.05 -0.06 -0.04 6.85 6.74 1l5hA1 GLY 291 H 0.05 -0.07 -0.49 -0.55 8.43 7.37 1l5hA1 GLY 291 HA2 0.05 0.30 0.43 -0.51 4.01 4.28 1l5hA1 GLY 291 HA3 0.05 -0.02 0.42 -0.51 4.01 3.95 1l5hA1 ILE 292 H 0.14 0.22 -0.08 -0.55 8.25 7.97 1l5hA1 ILE 292 HA 0.08 0.25 0.76 -0.75 4.18 4.52 1l5hA1 ILE 292 HB 0.13 -0.13 -0.08 -0.04 1.89 1.78 1l5hA1 ILE 292 HG12 0.07 0.19 -0.05 -0.04 1.49 1.66 1l5hA1 ILE 292 HG13 0.13 -0.02 -0.25 -0.04 1.21 1.03 1l5hA1 ILE 292 HG23 0.10 0.03 -0.39 -0.04 0.93 0.63 1l5hA1 ILE 292 HD13 -0.01 0.06 0.02 -0.04 0.88 0.91 1l5hA1 PRO 293 HA 0.12 0.01 0.46 -0.51 4.44 4.52 1l5hA1 PRO 293 HB2 -0.06 -0.04 0.07 -0.04 2.28 2.21 1l5hA1 PRO 293 HB3 -0.02 0.01 0.12 -0.04 2.02 2.09 1l5hA1 PRO 293 HG2 0.00 -0.06 0.13 -0.04 2.03 2.06 1l5hA1 PRO 293 HG3 -0.04 0.04 0.15 -0.04 2.03 2.14 1l5hA1 PRO 293 HD2 0.05 0.29 0.30 -0.04 3.68 4.27 1l5hA1 PRO 293 HD3 0.03 0.25 0.29 -0.04 3.65 4.19 1l5hA1 TRP 294 H -0.22 0.21 0.23 -0.55 7.97 7.65 1l5hA1 TRP 294 HA 0.00 0.18 0.89 -0.75 4.62 4.95 1l5hA1 TRP 294 HB2 -0.01 -0.04 0.01 -0.04 3.23 3.14 1l5hA1 TRP 294 HB3 0.01 0.13 -0.19 -0.04 3.23 3.14 1l5hA1 TRP 294 HD1 0.01 0.16 -0.09 -0.04 7.22 7.26 1l5hA1 TRP 294 HE1 -0.00 -0.00 -0.08 -0.04 10.20 10.08 1l5hA1 TRP 294 HE3 -0.04 0.06 -0.35 -0.04 7.59 7.22 1l5hA1 TRP 294 HZ2 -0.03 0.00 -0.05 -0.04 7.44 7.32 1l5hA1 TRP 294 HZ3 -0.07 -0.08 -0.14 -0.04 7.13 6.81 1l5hA1 TRP 294 HH2 -0.09 -0.05 -0.06 -0.04 7.19 6.95 1l5hA1 MET 295 H 0.23 0.64 0.40 -0.55 8.47 9.19 1l5hA1 MET 295 HA -0.28 0.08 0.77 -0.75 4.52 4.35 1l5hA1 MET 295 HB2 -0.08 -0.02 0.13 -0.04 2.15 2.14 1l5hA1 MET 295 HB3 -0.12 0.07 -0.18 -0.04 2.03 1.77 1l5hA1 MET 295 HG2 0.07 -0.00 -0.04 -0.04 2.63 2.61 1l5hA1 MET 295 HG3 0.08 0.04 -0.27 -0.04 2.56 2.38 1l5hA1 MET 295 HE3 0.02 -0.00 -0.14 -0.04 2.10 1.93 1l5hA1 GLU 296 H -0.04 0.11 0.18 -0.55 8.60 8.31 1l5hA1 GLU 296 HA 0.02 0.34 0.78 -0.75 4.29 4.67 1l5hA1 GLU 296 HB2 -0.04 -0.02 0.08 -0.04 2.09 2.08 1l5hA1 GLU 296 HB3 -0.08 0.01 0.12 -0.04 1.99 2.01 1l5hA1 GLU 296 HG2 0.14 -0.00 0.01 -0.04 2.34 2.44 1l5hA1 GLU 296 HG3 0.11 -0.02 0.02 -0.04 2.34 2.41 1l5hA1 TYR 297 H -0.40 0.43 0.24 -0.55 8.29 8.01 1l5hA1 TYR 297 HA -0.10 0.12 0.54 -0.75 4.56 4.37 1l5hA1 TYR 297 HB2 -0.22 0.00 -0.04 -0.04 3.06 2.77 1l5hA1 TYR 297 HB3 -0.11 0.15 -0.29 -0.04 2.98 2.68 1l5hA1 TYR 297 HD2 -0.62 -0.01 -0.43 -0.04 7.15 6.05 1l5hA1 TYR 297 HE2 -0.27 -0.00 -0.26 -0.04 6.85 6.27 1l5hA1 ASN 298 H 0.05 0.29 0.06 -0.55 8.53 8.38 1l5hA1 ASN 298 HA -0.41 0.10 0.85 -0.75 4.76 4.55 1l5hA1 ASN 298 HB2 -0.23 0.10 -0.16 -0.04 2.88 2.55 1l5hA1 ASN 298 HB3 -0.10 0.03 0.08 -0.04 2.79 2.76 1l5hA1 ASN 298 HD21 -0.31 0.02 0.03 -0.04 7.03 6.73 1l5hA1 ASN 298 HD22 -0.43 0.02 0.12 -0.04 7.74 7.41 1l5hA1 PHE 299 H -0.18 0.17 0.01 -0.55 8.34 7.78 1l5hA1 PHE 299 HA -0.26 0.27 0.76 -0.75 4.62 4.64 1l5hA1 PHE 299 HB2 -0.05 -0.01 0.13 -0.04 3.15 3.17 1l5hA1 PHE 299 HB3 -0.25 -0.14 0.26 -0.04 3.06 2.89 1l5hA1 PHE 299 HD2 -0.11 0.09 -0.46 -0.04 7.28 6.76 1l5hA1 PHE 299 HE2 -0.13 0.05 -0.14 -0.04 7.38 7.12 1l5hA1 PHE 299 HZ -0.20 0.10 -0.15 -0.04 7.32 7.02 1l5hA1 PHE 300 H -0.13 0.22 -0.36 -0.55 8.34 7.50 1l5hA1 PHE 300 HA -0.47 0.25 0.86 -0.75 4.62 4.50 1l5hA1 PHE 300 HB2 -0.63 -0.03 0.07 -0.04 3.15 2.52 1l5hA1 PHE 300 HB3 -0.35 0.08 0.26 -0.04 3.06 3.02 1l5hA1 PHE 300 HD2 -0.32 0.23 0.07 -0.04 7.28 7.21 1l5hA1 PHE 300 HE2 -0.78 0.05 -0.03 -0.04 7.38 6.58 1l5hA1 PHE 300 HZ -1.22 0.13 -0.07 -0.04 7.32 6.11 1l5hA1 GLY 301 H -0.37 0.33 0.08 -0.55 8.43 7.92 1l5hA1 GLY 301 HA2 -0.70 0.16 0.35 -0.51 4.01 3.30 1l5hA1 GLY 301 HA3 -0.68 0.06 0.66 -0.51 4.01 3.54 1l5hA1 PRO 302 HA -0.60 0.08 0.47 -0.51 4.44 3.87 1l5hA1 PRO 302 HB2 -1.98 0.11 -0.02 -0.04 2.28 0.35 1l5hA1 PRO 302 HB3 -1.22 0.06 0.08 -0.04 2.02 0.90 1l5hA1 PRO 302 HG2 -0.96 -0.03 0.12 -0.04 2.03 1.11 1l5hA1 PRO 302 HG3 -1.02 0.18 0.07 -0.04 2.03 1.21 1l5hA1 PRO 302 HD2 -1.35 0.11 0.21 -0.04 3.68 2.61 1l5hA1 PRO 302 HD3 -2.22 0.18 0.14 -0.04 3.65 1.70 1l5hA1 THR 303 H -0.57 0.17 -0.10 -0.55 8.28 7.23 1l5hA1 THR 303 HA -0.33 0.13 0.36 -0.75 4.39 3.81 1l5hA1 THR 303 HB -0.29 -0.07 0.07 -0.04 4.32 3.99 1l5hA1 THR 303 HG23 -0.18 0.02 -0.18 -0.04 1.22 0.84 1l5hA1 LYS 304 H -0.30 0.11 -0.28 -0.55 8.42 7.40 1l5hA1 LYS 304 HA -0.14 0.06 0.38 -0.75 4.32 3.87 1l5hA1 LYS 304 HB2 -0.18 -0.04 -0.14 -0.04 1.87 1.47 1l5hA1 LYS 304 HB3 -0.09 0.10 0.02 -0.04 1.79 1.78 1l5hA1 LYS 304 HG2 -0.20 -0.16 -0.04 -0.04 1.46 1.02 1l5hA1 LYS 304 HG3 -0.11 0.14 0.00 -0.04 1.46 1.45 1l5hA1 LYS 304 HD2 -0.14 -0.04 -0.05 -0.04 1.69 1.41 1l5hA1 LYS 304 HD3 -0.15 0.09 -0.22 -0.04 1.68 1.35 1l5hA1 LYS 304 HE2 -0.07 0.08 -0.02 -0.04 2.99 2.94 1l5hA1 LYS 304 HE3 -0.08 -0.06 0.01 -0.04 2.99 2.82 1l5hA1 THR 305 H -0.36 0.31 -0.42 -0.55 8.28 7.25 1l5hA1 THR 305 HA -0.37 0.02 0.37 -0.75 4.39 3.65 1l5hA1 THR 305 HB -0.74 0.08 0.06 -0.04 4.32 3.68 1l5hA1 THR 305 HG23 -1.48 -0.03 -0.10 -0.04 1.22 -0.43 1l5hA1 ILE 306 H -0.27 0.63 -0.13 -0.55 8.25 7.93 1l5hA1 ILE 306 HA -0.06 0.03 0.42 -0.75 4.18 3.82 1l5hA1 ILE 306 HB -0.14 0.10 0.17 -0.04 1.89 1.98 1l5hA1 ILE 306 HG12 0.08 -0.02 0.03 -0.04 1.49 1.53 1l5hA1 ILE 306 HG13 -0.09 0.03 0.09 -0.04 1.21 1.20 1l5hA1 ILE 306 HG23 -0.01 -0.00 -0.09 -0.04 0.93 0.78 1l5hA1 ILE 306 HD13 -0.12 -0.02 -0.06 -0.04 0.88 0.64 1l5hA1 GLU 307 H -0.13 0.60 -0.06 -0.55 8.60 8.47 1l5hA1 GLU 307 HA -0.04 0.02 0.38 -0.75 4.29 3.90 1l5hA1 GLU 307 HB2 -0.09 0.12 0.14 -0.04 2.09 2.22 1l5hA1 GLU 307 HB3 -0.06 0.01 0.22 -0.04 1.99 2.11 1l5hA1 GLU 307 HG2 -0.02 -0.01 -0.09 -0.04 2.34 2.18 1l5hA1 GLU 307 HG3 -0.03 0.00 0.04 -0.04 2.34 2.31 1l5hA1 SER 308 H -0.01 0.81 0.04 -0.55 8.46 8.76 1l5hA1 SER 308 HA 0.06 0.02 0.39 -0.75 4.49 4.21 1l5hA1 SER 308 HB2 0.38 0.13 0.06 -0.04 3.95 4.48 1l5hA1 SER 308 HB3 0.30 -0.06 0.06 -0.04 3.93 4.18 1l5hA1 LEU 309 H -0.06 0.48 -0.39 -0.55 8.37 7.86 1l5hA1 LEU 309 HA 0.03 -0.01 0.49 -0.75 4.35 4.10 1l5hA1 LEU 309 HB2 -0.10 0.14 0.22 -0.04 1.64 1.86 1l5hA1 LEU 309 HB3 -0.04 -0.02 -0.02 -0.04 1.64 1.53 1l5hA1 LEU 309 HG -0.60 0.04 0.02 -0.04 1.64 1.06 1l5hA1 LEU 309 HD13 -0.14 -0.03 -0.09 -0.04 0.93 0.63 1l5hA1 LEU 309 HD23 -0.10 -0.03 -0.07 -0.04 0.89 0.65 1l5hA1 ARG 310 H -0.01 0.65 -0.04 -0.55 8.46 8.50 1l5hA1 ARG 310 HA 0.02 0.01 0.42 -0.75 4.34 4.03 1l5hA1 ARG 310 HB2 0.00 0.18 0.27 -0.04 1.90 2.31 1l5hA1 ARG 310 HB3 0.01 -0.06 0.02 -0.04 1.80 1.74 1l5hA1 ARG 310 HG2 -0.01 0.20 0.10 -0.04 1.67 1.92 1l5hA1 ARG 310 HG3 -0.00 -0.08 -0.01 -0.04 1.67 1.53 1l5hA1 ARG 310 HD2 0.01 -0.02 0.00 -0.04 3.22 3.17 1l5hA1 ARG 310 HD3 0.01 -0.01 0.01 -0.04 3.22 3.19 1l5hA1 ALA 311 H 0.02 0.55 0.01 -0.55 8.40 8.44 1l5hA1 ALA 311 HA 0.02 0.01 0.34 -0.75 4.34 3.96 1l5hA1 ALA 311 HB3 0.02 0.00 0.05 -0.04 1.41 1.45 1l5hA1 ILE 312 H 0.07 0.43 -0.35 -0.55 8.25 7.85 1l5hA1 ILE 312 HA 0.11 0.02 0.38 -0.75 4.18 3.94 1l5hA1 ILE 312 HB 0.09 0.08 0.10 -0.04 1.89 2.12 1l5hA1 ILE 312 HG12 0.12 0.76 0.21 -0.04 1.49 2.54 1l5hA1 ILE 312 HG13 0.11 -0.16 -0.05 -0.04 1.21 1.07 1l5hA1 ILE 312 HG23 0.17 -0.02 -0.15 -0.04 0.93 0.88 1l5hA1 ILE 312 HD13 0.09 -0.04 -0.08 -0.04 0.88 0.81 1l5hA1 ALA 313 H 0.08 0.50 -0.13 -0.55 8.40 8.31 1l5hA1 ALA 313 HA 0.18 -0.03 0.28 -0.75 4.34 4.02 1l5hA1 ALA 313 HB3 0.05 0.00 -0.00 -0.04 1.41 1.42 1l5hA1 ALA 314 H 0.07 0.46 -0.23 -0.55 8.40 8.16 1l5hA1 ALA 314 HA 0.06 0.02 0.36 -0.75 4.34 4.02 1l5hA1 ALA 314 HB3 0.02 0.02 0.07 -0.04 1.41 1.47 1l5hA1 LYS 315 H 0.06 0.38 -0.36 -0.55 8.42 7.94 1l5hA1 LYS 315 HA -0.10 -0.03 0.40 -0.75 4.32 3.83 1l5hA1 LYS 315 HB2 -0.23 0.11 0.03 -0.04 1.87 1.74 1l5hA1 LYS 315 HB3 -0.30 -0.06 0.12 -0.04 1.79 1.51 1l5hA1 LYS 315 HG2 -0.01 0.21 0.12 -0.04 1.46 1.75 1l5hA1 LYS 315 HG3 -0.05 -0.11 0.01 -0.04 1.46 1.28 1l5hA1 LYS 315 HD2 -0.11 -0.01 0.02 -0.04 1.69 1.55 1l5hA1 LYS 315 HD3 -0.07 -0.00 -0.04 -0.04 1.68 1.53 1l5hA1 LYS 315 HE2 -0.05 0.03 -0.03 -0.04 2.99 2.91 1l5hA1 LYS 315 HE3 -0.08 -0.05 -0.05 -0.04 2.99 2.78 1l5hA1 PHE 316 H 0.20 0.60 -0.58 -0.55 8.34 8.01 1l5hA1 PHE 316 HA 0.08 0.14 0.90 -0.75 4.62 4.98 1l5hA1 PHE 316 HB2 0.07 0.13 0.09 -0.04 3.15 3.41 1l5hA1 PHE 316 HB3 0.20 -0.30 0.16 -0.04 3.06 3.08 1l5hA1 PHE 316 HD2 0.15 0.08 -0.01 -0.04 7.28 7.46 1l5hA1 PHE 316 HE2 0.10 0.06 -0.03 -0.04 7.38 7.47 1l5hA1 PHE 316 HZ 0.10 -0.04 -0.18 -0.04 7.32 7.16 1l5hA1 ASP 317 H 0.36 0.03 0.13 -0.55 8.40 8.38 1l5hA1 ASP 317 HA 0.10 0.19 0.43 -0.75 4.63 4.60 1l5hA1 ASP 317 HB2 0.10 -0.27 0.30 -0.04 2.71 2.80 1l5hA1 ASP 317 HB3 0.13 0.12 0.18 -0.04 2.70 3.09 1l5hA1 GLU 318 H 0.07 0.11 0.20 -0.55 8.60 8.43 1l5hA1 GLU 318 HA 0.05 0.29 0.87 -0.75 4.29 4.74 1l5hA1 GLU 318 HB2 0.04 -0.01 0.13 -0.04 2.09 2.21 1l5hA1 GLU 318 HB3 0.03 0.01 0.03 -0.04 1.99 2.02 1l5hA1 GLU 318 HG2 0.04 0.11 -0.11 -0.04 2.34 2.34 1l5hA1 GLU 318 HG3 0.03 0.02 0.02 -0.04 2.34 2.36 1l5hA1 SER 319 H 0.05 0.11 0.08 -0.55 8.46 8.16 1l5hA1 SER 319 HA 0.00 0.11 0.47 -0.75 4.49 4.31 1l5hA1 SER 319 HB2 -0.01 0.07 0.06 -0.04 3.95 4.03 1l5hA1 SER 319 HB3 0.03 0.02 0.13 -0.04 3.93 4.07 1l5hA1 ILE 320 H 0.00 0.09 -0.38 -0.55 8.25 7.42 1l5hA1 ILE 320 HA -0.15 0.20 0.48 -0.75 4.18 3.95 1l5hA1 ILE 320 HB 0.02 0.15 -0.06 -0.04 1.89 1.96 1l5hA1 ILE 320 HG12 -0.11 -0.19 -0.03 -0.04 1.49 1.11 1l5hA1 ILE 320 HG13 -0.32 0.08 -0.03 -0.04 1.21 0.90 1l5hA1 ILE 320 HG23 -0.18 0.08 -0.05 -0.04 0.93 0.74 1l5hA1 ILE 320 HD13 -0.86 0.02 -0.07 -0.04 0.88 -0.07 1l5hA1 GLN 321 H 0.02 0.14 -0.37 -0.55 8.47 7.71 1l5hA1 GLN 321 HA 0.02 0.07 0.40 -0.75 4.36 4.08 1l5hA1 GLN 321 HB2 0.02 0.07 0.07 -0.04 2.15 2.27 1l5hA1 GLN 321 HB3 0.02 -0.04 0.05 -0.04 2.02 2.02 1l5hA1 GLN 321 HG2 0.06 -0.03 -0.20 -0.04 2.40 2.19 1l5hA1 GLN 321 HG3 0.06 0.16 0.22 -0.04 2.39 2.78 1l5hA1 GLN 321 HE21 0.04 -0.12 -0.03 -0.04 6.97 6.82 1l5hA1 GLN 321 HE22 0.07 0.59 -0.06 -0.04 7.69 8.25 1l5hA1 LYS 322 H -0.01 0.31 -0.39 -0.55 8.42 7.79 1l5hA1 LYS 322 HA -0.00 0.07 0.53 -0.75 4.32 4.16 1l5hA1 LYS 322 HB2 -0.00 0.02 0.09 -0.04 1.87 1.94 1l5hA1 LYS 322 HB3 -0.01 0.11 0.17 -0.04 1.79 2.01 1l5hA1 LYS 322 HG2 -0.01 -0.01 -0.00 -0.04 1.46 1.40 1l5hA1 LYS 322 HG3 -0.01 0.01 -0.15 -0.04 1.46 1.26 1l5hA1 LYS 322 HD2 -0.01 -0.00 -0.01 -0.04 1.69 1.63 1l5hA1 LYS 322 HD3 -0.01 -0.08 0.12 -0.04 1.68 1.67 1l5hA1 LYS 322 HE2 0.00 0.02 0.01 -0.04 2.99 2.99 1l5hA1 LYS 322 HE3 -0.00 -0.00 -0.00 -0.04 2.99 2.95 1l5hA1 LYS 323 H -0.04 0.55 -0.05 -0.55 8.42 8.33 1l5hA1 LYS 323 HA -0.03 -0.01 0.44 -0.75 4.32 3.97 1l5hA1 LYS 323 HB2 -0.08 0.15 0.20 -0.04 1.87 2.09 1l5hA1 LYS 323 HB3 -0.06 0.00 -0.02 -0.04 1.79 1.67 1l5hA1 LYS 323 HG2 -0.05 -0.05 0.02 -0.04 1.46 1.34 1l5hA1 LYS 323 HG3 -0.06 0.07 0.06 -0.04 1.46 1.49 1l5hA1 LYS 323 HD2 -0.16 0.03 -0.20 -0.04 1.69 1.31 1l5hA1 LYS 323 HD3 -0.10 -0.03 -0.46 -0.04 1.68 1.05 1l5hA1 LYS 323 HE2 -0.10 0.01 -0.06 -0.04 2.99 2.79 1l5hA1 LYS 323 HE3 -0.06 -0.01 -0.05 -0.04 2.99 2.83 1l5hA1 CYS 324 H -0.02 0.67 -0.26 -0.55 8.50 8.34 1l5hA1 CYS 324 HA 0.00 -0.02 0.36 -0.75 4.58 4.17 1l5hA1 CYS 324 HB2 -0.01 0.08 0.10 -0.04 2.97 3.10 1l5hA1 CYS 324 HB3 0.00 0.13 0.11 -0.04 2.97 3.18 1l5hA1 GLU 325 H -0.00 0.36 -0.65 -0.55 8.60 7.77 1l5hA1 GLU 325 HA 0.01 0.01 0.57 -0.75 4.29 4.13 1l5hA1 GLU 325 HB2 -0.00 0.24 0.20 -0.04 2.09 2.49 1l5hA1 GLU 325 HB3 0.00 -0.09 0.04 -0.04 1.99 1.90 1l5hA1 GLU 325 HG2 0.01 0.44 0.16 -0.04 2.34 2.90 1l5hA1 GLU 325 HG3 0.01 -0.07 0.04 -0.04 2.34 2.28 1l5hA1 GLU 326 H -0.01 0.45 -0.01 -0.55 8.60 8.48 1l5hA1 GLU 326 HA -0.03 0.00 0.46 -0.75 4.29 3.97 1l5hA1 GLU 326 HB2 -0.02 0.16 0.15 -0.04 2.09 2.35 1l5hA1 GLU 326 HB3 -0.03 -0.05 0.09 -0.04 1.99 1.96 1l5hA1 GLU 326 HG2 -0.02 -0.06 0.03 -0.04 2.34 2.25 1l5hA1 GLU 326 HG3 -0.02 0.28 0.09 -0.04 2.34 2.65 1l5hA1 VAL 327 H 0.01 0.53 -0.28 -0.55 8.24 7.95 1l5hA1 VAL 327 HA 0.02 0.04 0.44 -0.75 4.13 3.87 1l5hA1 VAL 327 HB 0.07 0.14 0.09 -0.04 2.12 2.38 1l5hA1 VAL 327 HG13 0.28 -0.04 -0.19 -0.04 0.97 0.98 1l5hA1 VAL 327 HG23 0.06 0.03 -0.16 -0.04 0.95 0.83 1l5hA1 ILE 328 H 0.05 0.53 -0.10 -0.55 8.25 8.18 1l5hA1 ILE 328 HA 0.05 -0.05 0.35 -0.75 4.18 3.77 1l5hA1 ILE 328 HB 0.04 0.11 0.16 -0.04 1.89 2.16 1l5hA1 ILE 328 HG12 0.14 -0.13 0.03 -0.04 1.49 1.49 1l5hA1 ILE 328 HG13 0.08 0.23 0.14 -0.04 1.21 1.62 1l5hA1 ILE 328 HG23 0.09 -0.03 -0.07 -0.04 0.93 0.88 1l5hA1 ILE 328 HD13 0.03 -0.01 0.01 -0.04 0.88 0.86 1l5hA1 ALA 329 H -0.01 0.51 -0.37 -0.55 8.40 7.98 1l5hA1 ALA 329 HA -0.02 0.00 0.48 -0.75 4.34 4.05 1l5hA1 ALA 329 HB3 -0.04 0.03 0.11 -0.04 1.41 1.47 1l5hA1 LYS 330 H -0.11 0.54 -0.10 -0.55 8.42 8.21 1l5hA1 LYS 330 HA -0.18 -0.00 0.40 -0.75 4.32 3.78 1l5hA1 LYS 330 HB2 -0.19 0.06 0.19 -0.04 1.87 1.88 1l5hA1 LYS 330 HB3 -0.33 0.14 0.22 -0.04 1.79 1.78 1l5hA1 LYS 330 HG2 -0.88 -0.06 -0.19 -0.04 1.46 0.29 1l5hA1 LYS 330 HG3 -0.31 -0.04 0.08 -0.04 1.46 1.14 1l5hA1 LYS 330 HD2 -0.18 0.02 0.02 -0.04 1.69 1.51 1l5hA1 LYS 330 HD3 -0.31 0.01 0.01 -0.04 1.68 1.35 1l5hA1 LYS 330 HE2 -0.18 -0.01 0.00 -0.04 2.99 2.76 1l5hA1 LYS 330 HE3 -0.11 0.01 -0.00 -0.04 2.99 2.84 1l5hA1 TYR 331 H -0.16 0.39 -0.34 -0.55 8.29 7.63 1l5hA1 TYR 331 HA -0.14 0.13 0.86 -0.75 4.56 4.66 1l5hA1 TYR 331 HB2 -1.08 0.10 0.03 -0.04 3.06 2.07 1l5hA1 TYR 331 HB3 -0.75 -0.15 0.10 -0.04 2.98 2.14 1l5hA1 TYR 331 HD2 -0.11 0.08 -0.03 -0.04 7.15 7.06 1l5hA1 TYR 331 HE2 0.08 0.01 -0.03 -0.04 6.85 6.87 1l5hA1 LYS 332 H -0.06 0.48 -0.25 -0.55 8.42 8.03 1l5hA1 LYS 332 HA 0.03 -0.05 0.39 -0.75 4.32 3.94 1l5hA1 LYS 332 HB2 0.01 0.16 0.24 -0.04 1.87 2.24 1l5hA1 LYS 332 HB3 -0.13 0.10 0.19 -0.04 1.79 1.92 1l5hA1 LYS 332 HG2 -0.40 -0.08 -0.17 -0.04 1.46 0.78 1l5hA1 LYS 332 HG3 -0.03 -0.05 0.04 -0.04 1.46 1.37 1l5hA1 LYS 332 HD2 -0.03 0.01 0.02 -0.04 1.69 1.65 1l5hA1 LYS 332 HD3 -0.11 0.02 0.00 -0.04 1.68 1.55 1l5hA1 LYS 332 HE2 -0.06 0.00 -0.01 -0.04 2.99 2.87 1l5hA1 LYS 332 HE3 -0.17 -0.02 -0.04 -0.04 2.99 2.72 1l5hA1 PRO 333 HA -0.28 0.04 0.47 -0.51 4.44 4.16 1l5hA1 PRO 333 HB2 -0.10 0.03 -0.02 -0.04 2.28 2.14 1l5hA1 PRO 333 HB3 -0.13 0.04 0.09 -0.04 2.02 1.98 1l5hA1 PRO 333 HG2 -0.10 -0.03 0.03 -0.04 2.03 1.88 1l5hA1 PRO 333 HG3 -0.11 0.08 0.05 -0.04 2.03 2.01 1l5hA1 PRO 333 HD2 -0.13 0.17 -0.18 -0.04 3.68 3.50 1l5hA1 PRO 333 HD3 -0.14 0.15 0.13 -0.04 3.65 3.74 1l5hA1 GLU 334 H -0.07 0.23 -0.30 -0.55 8.60 7.92 1l5hA1 GLU 334 HA 0.03 0.04 0.40 -0.75 4.29 4.01 1l5hA1 GLU 334 HB2 0.18 0.12 0.14 -0.04 2.09 2.50 1l5hA1 GLU 334 HB3 0.19 -0.05 0.01 -0.04 1.99 2.11 1l5hA1 GLU 334 HG2 0.05 -0.01 0.04 -0.04 2.34 2.38 1l5hA1 GLU 334 HG3 -0.00 0.06 0.08 -0.04 2.34 2.44 1l5hA1 TRP 335 H 0.10 0.53 -0.07 -0.55 7.97 7.99 1l5hA1 TRP 335 HA 0.25 0.07 0.64 -0.75 4.62 4.83 1l5hA1 TRP 335 HB2 0.13 -0.07 0.11 -0.04 3.23 3.36 1l5hA1 TRP 335 HB3 0.18 -0.04 0.10 -0.04 3.23 3.42 1l5hA1 TRP 335 HD1 -0.20 0.18 -0.07 -0.04 7.22 7.09 1l5hA1 TRP 335 HE1 -0.10 0.02 -0.03 -0.04 10.20 10.05 1l5hA1 TRP 335 HE3 0.03 -0.05 -0.18 -0.04 7.59 7.35 1l5hA1 TRP 335 HZ2 -0.03 0.02 -0.02 -0.04 7.44 7.36 1l5hA1 TRP 335 HZ3 -0.02 0.04 -0.01 -0.04 7.13 7.10 1l5hA1 TRP 335 HH2 -0.03 0.01 -0.02 -0.04 7.19 7.11 1l5hA1 GLU 336 H -0.59 0.44 -0.18 -0.55 8.60 7.72 1l5hA1 GLU 336 HA -0.32 0.03 0.48 -0.75 4.29 3.73 1l5hA1 GLU 336 HB2 -0.37 0.09 0.19 -0.04 2.09 1.96 1l5hA1 GLU 336 HB3 -0.32 -0.02 0.04 -0.04 1.99 1.65 1l5hA1 GLU 336 HG2 -1.38 -0.08 0.04 -0.04 2.34 0.88 1l5hA1 GLU 336 HG3 -1.29 0.59 0.14 -0.04 2.34 1.73 1l5hA1 ALA 337 H -0.08 0.60 -0.07 -0.55 8.40 8.31 1l5hA1 ALA 337 HA -0.03 0.05 0.45 -0.75 4.34 4.05 1l5hA1 ALA 337 HB3 -0.00 0.04 0.09 -0.04 1.41 1.49 1l5hA1 VAL 338 H 0.16 0.26 -0.38 -0.55 8.24 7.72 1l5hA1 VAL 338 HA 0.17 0.05 0.43 -0.75 4.13 4.02 1l5hA1 VAL 338 HB 0.44 0.16 0.17 -0.04 2.12 2.85 1l5hA1 VAL 338 HG13 -0.11 -0.02 -0.13 -0.04 0.97 0.66 1l5hA1 VAL 338 HG23 0.22 0.09 0.10 -0.04 0.95 1.31 1l5hA1 VAL 339 H 0.27 0.48 -0.10 -0.55 8.24 8.35 1l5hA1 VAL 339 HA 0.24 0.00 0.49 -0.75 4.13 4.11 1l5hA1 VAL 339 HB 0.19 0.08 0.17 -0.04 2.12 2.52 1l5hA1 VAL 339 HG13 0.17 0.01 0.02 -0.04 0.97 1.13 1l5hA1 VAL 339 HG23 0.59 0.04 0.06 -0.04 0.95 1.60 1l5hA1 ALA 340 H 0.05 0.45 -0.25 -0.55 8.40 8.11 1l5hA1 ALA 340 HA 0.00 0.02 0.43 -0.75 4.34 4.04 1l5hA1 ALA 340 HB3 -0.03 0.01 0.12 -0.04 1.41 1.47 1l5hA1 LYS 341 H -0.04 0.37 -0.23 -0.55 8.42 7.97 1l5hA1 LYS 341 HA -0.18 0.07 0.57 -0.75 4.32 4.02 1l5hA1 LYS 341 HB2 -0.18 0.05 0.13 -0.04 1.87 1.83 1l5hA1 LYS 341 HB3 -0.50 0.01 0.15 -0.04 1.79 1.40 1l5hA1 LYS 341 HG2 -0.87 0.01 -0.12 -0.04 1.46 0.44 1l5hA1 LYS 341 HG3 -0.29 -0.02 0.04 -0.04 1.46 1.15 1l5hA1 LYS 341 HD2 -0.14 -0.02 -0.01 -0.04 1.69 1.48 1l5hA1 LYS 341 HD3 -0.38 -0.02 -0.03 -0.04 1.68 1.21 1l5hA1 LYS 341 HE2 -0.10 -0.01 -0.01 -0.04 2.99 2.83 1l5hA1 LYS 341 HE3 -0.03 -0.04 -0.02 -0.04 2.99 2.86 1l5hA1 TYR 342 H -0.01 0.45 0.04 -0.55 8.29 8.22 1l5hA1 TYR 342 HA -0.01 0.17 0.87 -0.75 4.56 4.84 1l5hA1 TYR 342 HB2 -0.06 0.03 0.07 -0.04 3.06 3.06 1l5hA1 TYR 342 HB3 -0.05 0.00 -0.00 -0.04 2.98 2.89 1l5hA1 TYR 342 HD2 -0.05 0.09 0.03 -0.04 7.15 7.17 1l5hA1 TYR 342 HE2 -0.02 -0.02 -0.02 -0.04 6.85 6.75 1l5hA1 ARG 343 H 0.10 0.39 0.06 -0.55 8.46 8.47 1l5hA1 ARG 343 HA 0.10 0.10 0.37 -0.75 4.34 4.15 1l5hA1 ARG 343 HB2 0.12 -0.03 0.23 -0.04 1.90 2.18 1l5hA1 ARG 343 HB3 0.07 0.07 0.09 -0.04 1.80 1.99 1l5hA1 ARG 343 HG2 0.06 -0.04 -0.15 -0.04 1.67 1.51 1l5hA1 ARG 343 HG3 0.09 0.05 -0.33 -0.04 1.67 1.44 1l5hA1 ARG 343 HD2 0.12 0.03 0.03 -0.04 3.22 3.37 1l5hA1 ARG 343 HD3 0.07 -0.03 -0.04 -0.04 3.22 3.18 1l5hA1 PRO 344 HA 0.02 0.02 0.46 -0.51 4.44 4.43 1l5hA1 PRO 344 HB2 -0.01 0.07 0.03 -0.04 2.28 2.32 1l5hA1 PRO 344 HB3 0.00 -0.04 0.07 -0.04 2.02 2.01 1l5hA1 PRO 344 HG2 -0.02 0.16 0.06 -0.04 2.03 2.18 1l5hA1 PRO 344 HG3 0.01 -0.06 0.04 -0.04 2.03 1.97 1l5hA1 PRO 344 HD2 -0.01 0.12 -0.59 -0.04 3.68 3.16 1l5hA1 PRO 344 HD3 0.03 0.16 0.01 -0.04 3.65 3.81 1l5hA1 ARG 345 H 0.04 0.26 -0.23 -0.55 8.46 7.97 1l5hA1 ARG 345 HA 0.03 0.13 0.66 -0.75 4.34 4.40 1l5hA1 ARG 345 HB2 0.06 -0.02 0.16 -0.04 1.90 2.06 1l5hA1 ARG 345 HB3 0.03 -0.05 0.09 -0.04 1.80 1.82 1l5hA1 ARG 345 HG2 0.08 0.29 0.22 -0.04 1.67 2.22 1l5hA1 ARG 345 HG3 0.19 -0.09 0.03 -0.04 1.67 1.75 1l5hA1 ARG 345 HD2 -0.04 -0.03 0.10 -0.04 3.22 3.20 1l5hA1 ARG 345 HD3 -0.17 0.15 0.09 -0.04 3.22 3.25 1l5hA1 LEU 346 H 0.06 0.32 -0.27 -0.55 8.37 7.93 1l5hA1 LEU 346 HA 0.04 0.15 0.88 -0.75 4.35 4.66 1l5hA1 LEU 346 HB2 0.07 0.12 -0.01 -0.04 1.64 1.78 1l5hA1 LEU 346 HB3 0.05 -0.12 0.01 -0.04 1.64 1.53 1l5hA1 LEU 346 HG 0.08 0.04 -0.25 -0.04 1.64 1.47 1l5hA1 LEU 346 HD13 -0.04 -0.04 -0.09 -0.04 0.93 0.72 1l5hA1 LEU 346 HD23 -0.00 0.01 -0.18 -0.04 0.89 0.68 1l5hA1 GLU 347 H 0.04 0.33 0.09 -0.55 8.60 8.51 1l5hA1 GLU 347 HA 0.04 0.22 0.55 -0.75 4.29 4.35 1l5hA1 GLU 347 HB2 0.04 0.04 0.17 -0.04 2.09 2.29 1l5hA1 GLU 347 HB3 0.03 0.07 0.21 -0.04 1.99 2.25 1l5hA1 GLU 347 HG2 0.02 -0.07 -0.01 -0.04 2.34 2.24 1l5hA1 GLU 347 HG3 0.02 0.02 -0.30 -0.04 2.34 2.04 1l5hA1 GLY 348 H 0.03 0.42 0.35 -0.55 8.43 8.68 1l5hA1 GLY 348 HA2 0.01 -0.08 0.39 -0.51 4.01 3.82 1l5hA1 GLY 348 HA3 0.01 0.12 0.63 -0.51 4.01 4.26 1l5hA1 LYS 349 H 0.02 0.47 -0.27 -0.55 8.42 8.08 1l5hA1 LYS 349 HA -0.01 0.07 0.51 -0.75 4.32 4.13 1l5hA1 LYS 349 HB2 0.01 -0.00 0.11 -0.04 1.87 1.95 1l5hA1 LYS 349 HB3 -0.02 -0.06 -0.02 -0.04 1.79 1.65 1l5hA1 LYS 349 HG2 0.01 0.14 -0.26 -0.04 1.46 1.32 1l5hA1 LYS 349 HG3 0.01 -0.04 0.03 -0.04 1.46 1.42 1l5hA1 LYS 349 HD2 -0.01 -0.02 -0.00 -0.04 1.69 1.61 1l5hA1 LYS 349 HD3 -0.00 -0.03 -0.11 -0.04 1.68 1.49 1l5hA1 LYS 349 HE2 0.02 0.05 -0.12 -0.04 2.99 2.90 1l5hA1 LYS 349 HE3 0.02 0.04 -0.04 -0.04 2.99 2.96 1l5hA1 ARG 350 H -0.04 0.20 0.23 -0.55 8.46 8.30 1l5hA1 ARG 350 HA -0.05 0.35 1.14 -0.75 4.34 5.03 1l5hA1 ARG 350 HB2 -0.05 -0.03 0.23 -0.04 1.90 2.00 1l5hA1 ARG 350 HB3 -0.05 -0.01 0.01 -0.04 1.80 1.71 1l5hA1 ARG 350 HG2 -0.03 -0.01 -0.13 -0.04 1.67 1.46 1l5hA1 ARG 350 HG3 -0.03 0.09 0.10 -0.04 1.67 1.79 1l5hA1 ARG 350 HD2 -0.03 -0.06 -0.06 -0.04 3.22 3.03 1l5hA1 ARG 350 HD3 -0.03 0.00 0.00 -0.04 3.22 3.16 1l5hA1 VAL 351 H -0.12 0.40 0.21 -0.55 8.24 8.18 1l5hA1 VAL 351 HA -0.15 0.25 0.88 -0.75 4.13 4.36 1l5hA1 VAL 351 HB -0.21 0.06 -0.08 -0.04 2.12 1.85 1l5hA1 VAL 351 HG13 -0.56 -0.02 -0.05 -0.04 0.97 0.29 1l5hA1 VAL 351 HG23 -0.51 -0.02 -0.28 -0.04 0.95 0.10 1l5hA1 MET 352 H -0.14 0.59 0.38 -0.55 8.47 8.75 1l5hA1 MET 352 HA -0.07 0.19 0.92 -0.75 4.52 4.81 1l5hA1 MET 352 HB2 -0.04 0.05 0.00 -0.04 2.15 2.13 1l5hA1 MET 352 HB3 -0.07 -0.04 0.17 -0.04 2.03 2.05 1l5hA1 MET 352 HG2 0.05 -0.00 -0.36 -0.04 2.63 2.28 1l5hA1 MET 352 HG3 0.05 0.10 -0.22 -0.04 2.56 2.45 1l5hA1 MET 352 HE3 -0.05 -0.02 -0.11 -0.04 2.10 1.88 1l5hA1 LEU 353 H -0.05 0.56 0.25 -0.55 8.37 8.59 1l5hA1 LEU 353 HA -0.02 0.03 0.77 -0.75 4.35 4.38 1l5hA1 LEU 353 HB2 -0.02 0.06 -0.04 -0.04 1.64 1.60 1l5hA1 LEU 353 HB3 0.02 -0.12 -0.03 -0.04 1.64 1.47 1l5hA1 LEU 353 HG -0.15 0.15 -0.13 -0.04 1.64 1.47 1l5hA1 LEU 353 HD13 0.02 -0.02 -0.07 -0.04 0.93 0.82 1l5hA1 LEU 353 HD23 -0.12 0.00 -0.26 -0.04 0.89 0.47 1l5hA1 TYR 354 H 0.14 0.05 -0.10 -0.55 8.29 7.82 1l5hA1 TYR 354 HA 0.01 0.25 0.68 -0.75 4.56 4.75 1l5hA1 TYR 354 HB2 0.00 0.05 -0.21 -0.04 3.06 2.86 1l5hA1 TYR 354 HB3 -0.01 -0.08 0.16 -0.04 2.98 3.01 1l5hA1 TYR 354 HD2 -0.01 0.04 -0.02 -0.04 7.15 7.13 1l5hA1 TYR 354 HE2 -0.42 0.03 -0.01 -0.04 6.85 6.41 1l5hA1 ILE 355 H -0.10 0.40 -0.15 -0.55 8.25 7.85 1l5hA1 ILE 355 HA -0.08 0.15 0.85 -0.75 4.18 4.35 1l5hA1 ILE 355 HB -0.01 -0.07 -0.20 -0.04 1.89 1.57 1l5hA1 ILE 355 HG12 -0.06 0.33 -0.10 -0.04 1.49 1.61 1l5hA1 ILE 355 HG13 -0.02 -0.06 0.08 -0.04 1.21 1.16 1l5hA1 ILE 355 HG23 -0.05 0.03 -0.32 -0.04 0.93 0.54 1l5hA1 ILE 355 HD13 -0.01 -0.02 -0.04 -0.04 0.88 0.77 1l5hA1 GLY 356 H -0.09 0.07 0.10 -0.55 8.43 7.97 1l5hA1 GLY 356 HA2 -0.20 0.24 0.57 -0.51 4.01 4.10 1l5hA1 GLY 356 HA3 -0.11 -0.02 0.32 -0.51 4.01 3.69 1l5hA1 GLY 357 H -0.54 0.79 0.21 -0.55 8.43 8.34 1l5hA1 GLY 357 HA2 -1.27 -0.01 0.22 -0.51 4.01 2.44 1l5hA1 GLY 357 HA3 -0.31 0.17 0.73 -0.51 4.01 4.09 1l5hA1 LEU 358 H -0.13 0.15 0.16 -0.55 8.37 8.01 1l5hA1 LEU 358 HA -0.07 0.09 0.90 -0.75 4.35 4.52 1l5hA1 LEU 358 HB2 -0.01 0.08 0.09 -0.04 1.64 1.76 1l5hA1 LEU 358 HB3 -0.00 0.01 0.03 -0.04 1.64 1.63 1l5hA1 LEU 358 HG 0.04 -0.09 0.04 -0.04 1.64 1.59 1l5hA1 LEU 358 HD13 0.01 -0.00 -0.04 -0.04 0.93 0.86 1l5hA1 LEU 358 HD23 0.05 0.02 -0.01 -0.04 0.89 0.90 1l5hA1 ARG 359 H -0.06 0.12 0.06 -0.55 8.46 8.03 1l5hA1 ARG 359 HA -0.02 0.24 0.53 -0.75 4.34 4.33 1l5hA1 ARG 359 HB2 -0.00 -0.09 -0.03 -0.04 1.90 1.74 1l5hA1 ARG 359 HB3 0.00 0.08 0.03 -0.04 1.80 1.87 1l5hA1 ARG 359 HG2 -0.01 0.29 0.14 -0.04 1.67 2.05 1l5hA1 ARG 359 HG3 -0.01 -0.16 -0.57 -0.04 1.67 0.89 1l5hA1 ARG 359 HD2 0.01 -0.07 -0.06 -0.04 3.22 3.05 1l5hA1 ARG 359 HD3 0.01 -0.00 -0.01 -0.04 3.22 3.17 1l5hA1 PRO 360 HA -0.00 -0.02 0.38 -0.51 4.44 4.28 1l5hA1 PRO 360 HB2 0.03 0.30 0.09 -0.04 2.28 2.67 1l5hA1 PRO 360 HB3 0.03 -0.08 0.03 -0.04 2.02 1.96 1l5hA1 PRO 360 HG2 0.01 -0.03 0.02 -0.04 2.03 1.99 1l5hA1 PRO 360 HG3 -0.00 -0.00 -0.06 -0.04 2.03 1.92 1l5hA1 PRO 360 HD2 0.00 0.15 0.15 -0.04 3.68 3.94 1l5hA1 PRO 360 HD3 -0.02 0.22 -0.09 -0.04 3.65 3.72 1l5hA1 ARG 361 H 0.02 0.07 0.15 -0.55 8.46 8.14 1l5hA1 ARG 361 HA 0.01 0.12 0.40 -0.75 4.34 4.12 1l5hA1 ARG 361 HB2 0.01 -0.00 0.14 -0.04 1.90 2.01 1l5hA1 ARG 361 HB3 0.03 -0.05 0.03 -0.04 1.80 1.76 1l5hA1 ARG 361 HG2 -0.01 -0.02 0.02 -0.04 1.67 1.61 1l5hA1 ARG 361 HG3 -0.02 0.01 0.00 -0.04 1.67 1.61 1l5hA1 ARG 361 HD2 -0.02 -0.01 0.05 -0.04 3.22 3.20 1l5hA1 ARG 361 HD3 -0.00 0.06 0.12 -0.04 3.22 3.36 1l5hA1 HIS 362 H 0.09 0.01 -0.42 -0.55 8.41 7.54 1l5hA1 HIS 362 HA -0.01 0.20 0.44 -0.75 4.63 4.51 1l5hA1 HIS 362 HB2 -0.01 0.04 -0.31 -0.04 3.26 2.94 1l5hA1 HIS 362 HB3 -0.01 0.02 -0.04 -0.04 3.20 3.12 1l5hA1 HIS 362 HD2 -0.01 0.08 0.06 -0.04 6.97 7.06 1l5hA1 HIS 362 HE1 -0.03 0.02 0.01 -0.04 7.75 7.70 1l5hA1 VAL 363 H -0.70 0.15 0.08 -0.55 8.24 7.21 1l5hA1 VAL 363 HA -0.06 0.11 0.57 -0.75 4.13 3.99 1l5hA1 VAL 363 HB -0.18 -0.09 -0.02 -0.04 2.12 1.79 1l5hA1 VAL 363 HG13 -0.17 0.03 0.01 -0.04 0.97 0.80 1l5hA1 VAL 363 HG23 -0.61 0.01 0.05 -0.04 0.95 0.36 1l5hA1 ILE 364 H 0.02 0.17 0.21 -0.55 8.25 8.10 1l5hA1 ILE 364 HA 0.05 0.12 0.50 -0.75 4.18 4.10 1l5hA1 ILE 364 HB 0.21 -0.09 0.09 -0.04 1.89 2.06 1l5hA1 ILE 364 HG12 0.06 0.09 0.09 -0.04 1.49 1.70 1l5hA1 ILE 364 HG13 0.08 0.05 0.01 -0.04 1.21 1.31 1l5hA1 ILE 364 HG23 0.34 -0.01 -0.08 -0.04 0.93 1.14 1l5hA1 ILE 364 HD13 0.05 -0.00 -0.07 -0.04 0.88 0.82 1l5hA1 GLY 365 H -0.02 0.06 -0.00 -0.55 8.43 7.92 1l5hA1 GLY 365 HA2 -0.20 -0.04 0.27 -0.51 4.01 3.53 1l5hA1 GLY 365 HA3 -0.14 0.36 1.05 -0.51 4.01 4.77 1l5hA1 ALA 366 H -1.37 0.30 -0.01 -0.55 8.40 6.76 1l5hA1 ALA 366 HA -0.44 -0.02 0.45 -0.75 4.34 3.58 1l5hA1 ALA 366 HB3 -1.40 0.03 -0.05 -0.04 1.41 -0.05 1l5hA1 TYR 367 H -0.27 0.06 -0.24 -0.55 8.29 7.29 1l5hA1 TYR 367 HA 0.14 0.17 0.28 -0.75 4.56 4.41 1l5hA1 TYR 367 HB2 0.05 -0.14 -0.01 -0.04 3.06 2.92 1l5hA1 TYR 367 HB3 0.07 0.14 -0.13 -0.04 2.98 3.02 1l5hA1 TYR 367 HD2 0.18 -0.01 -0.08 -0.04 7.15 7.20 1l5hA1 TYR 367 HE2 0.18 0.03 -0.10 -0.04 6.85 6.92 1l5hA1 GLU 368 H 0.06 0.01 -0.25 -0.55 8.60 7.87 1l5hA1 GLU 368 HA 0.07 0.24 0.51 -0.75 4.29 4.35 1l5hA1 GLU 368 HB2 -0.02 0.04 -0.02 -0.04 2.09 2.05 1l5hA1 GLU 368 HB3 0.01 0.09 0.12 -0.04 1.99 2.17 1l5hA1 GLU 368 HG2 -0.06 0.44 0.19 -0.04 2.34 2.87 1l5hA1 GLU 368 HG3 -0.06 -0.02 0.11 -0.04 2.34 2.33 1l5hA1 ASP 369 H -0.06 0.22 -0.06 -0.55 8.40 7.95 1l5hA1 ASP 369 HA 0.02 0.05 0.42 -0.75 4.63 4.36 1l5hA1 ASP 369 HB2 -0.03 0.12 0.14 -0.04 2.71 2.89 1l5hA1 ASP 369 HB3 -0.06 0.02 0.11 -0.04 2.70 2.74 1l5hA1 LEU 370 H 0.14 0.27 -0.57 -0.55 8.37 7.67 1l5hA1 LEU 370 HA 0.18 0.12 0.71 -0.75 4.35 4.61 1l5hA1 LEU 370 HB2 0.15 0.07 0.02 -0.04 1.64 1.84 1l5hA1 LEU 370 HB3 0.10 0.04 0.06 -0.04 1.64 1.79 1l5hA1 LEU 370 HG 0.31 -0.01 -0.08 -0.04 1.64 1.82 1l5hA1 LEU 370 HD13 -0.04 -0.01 -0.09 -0.04 0.93 0.75 1l5hA1 LEU 370 HD23 0.07 0.00 -0.12 -0.04 0.89 0.80 1l5hA1 GLY 371 H 0.09 0.47 -0.39 -0.55 8.43 8.06 1l5hA1 GLY 371 HA2 0.06 0.01 0.33 -0.51 4.01 3.89 1l5hA1 GLY 371 HA3 0.06 0.02 0.41 -0.51 4.01 3.99 1l5hA1 MET 372 H 0.10 0.32 -0.02 -0.55 8.47 8.33 1l5hA1 MET 372 HA 0.05 0.20 0.87 -0.75 4.52 4.89 1l5hA1 MET 372 HB2 0.18 -0.08 -0.00 -0.04 2.15 2.21 1l5hA1 MET 372 HB3 0.07 0.02 -0.05 -0.04 2.03 2.03 1l5hA1 MET 372 HG2 0.07 0.27 -0.03 -0.04 2.63 2.90 1l5hA1 MET 372 HG3 0.12 0.01 -0.24 -0.04 2.56 2.41 1l5hA1 MET 372 HE3 0.04 0.02 -0.16 -0.04 2.10 1.97 1l5hA1 GLU 373 H 0.01 0.70 0.13 -0.55 8.60 8.89 1l5hA1 GLU 373 HA 0.00 0.04 0.66 -0.75 4.29 4.24 1l5hA1 GLU 373 HB2 -0.01 0.09 -0.08 -0.04 2.09 2.05 1l5hA1 GLU 373 HB3 -0.02 -0.05 0.01 -0.04 1.99 1.88 1l5hA1 GLU 373 HG2 -0.01 0.00 -0.07 -0.04 2.34 2.22 1l5hA1 GLU 373 HG3 -0.00 -0.03 -0.01 -0.04 2.34 2.26 1l5hA1 VAL 374 H -0.01 0.14 0.17 -0.55 8.24 7.99 1l5hA1 VAL 374 HA -0.11 0.30 0.91 -0.75 4.13 4.47 1l5hA1 VAL 374 HB -0.02 -0.04 0.18 -0.04 2.12 2.21 1l5hA1 VAL 374 HG13 -0.08 0.01 -0.05 -0.04 0.97 0.80 1l5hA1 VAL 374 HG23 -0.04 -0.01 -0.07 -0.04 0.95 0.79 1l5hA1 VAL 375 H -0.07 0.48 0.32 -0.55 8.24 8.42 1l5hA1 VAL 375 HA -0.03 0.41 1.03 -0.75 4.13 4.78 1l5hA1 VAL 375 HB -0.01 -0.02 0.18 -0.04 2.12 2.23 1l5hA1 VAL 375 HG13 -0.03 0.03 -0.16 -0.04 0.97 0.76 1l5hA1 VAL 375 HG23 -0.01 0.03 -0.18 -0.04 0.95 0.75 1l5hA1 GLY 376 H -0.02 0.19 0.15 -0.55 8.43 8.21 1l5hA1 GLY 376 HA2 -0.04 0.12 0.85 -0.51 4.01 4.43 1l5hA1 GLY 376 HA3 -0.07 0.07 0.06 -0.51 4.01 3.56 1l5hA1 THR 377 H -0.14 0.53 0.25 -0.55 8.28 8.37 1l5hA1 THR 377 HA -0.02 0.18 0.79 -0.75 4.39 4.58 1l5hA1 THR 377 HB -0.32 -0.06 0.15 -0.04 4.32 4.05 1l5hA1 THR 377 HG23 -0.01 0.04 -0.00 -0.04 1.22 1.20 1l5hA1 GLY 378 H -0.08 0.43 -0.12 -0.55 8.43 8.11 1l5hA1 GLY 378 HA2 -0.16 0.02 0.19 -0.51 4.01 3.56 1l5hA1 GLY 378 HA3 0.12 0.06 0.55 -0.51 4.01 4.22 1l5hA1 TYR 379 H 0.26 0.18 0.07 -0.55 8.29 8.26 1l5hA1 TYR 379 HA -0.02 0.16 0.94 -0.75 4.56 4.88 1l5hA1 TYR 379 HB2 0.01 0.04 0.17 -0.04 3.06 3.24 1l5hA1 TYR 379 HB3 0.00 0.03 0.17 -0.04 2.98 3.14 1l5hA1 TYR 379 HD2 0.02 0.03 -0.01 -0.04 7.15 7.14 1l5hA1 TYR 379 HE2 0.01 0.05 -0.05 -0.04 6.85 6.83 1l5hA1 GLU 380 H -0.01 0.30 -0.28 -0.55 8.60 8.06 1l5hA1 GLU 380 HA 0.03 0.11 0.26 -0.75 4.29 3.93 1l5hA1 GLU 380 HB2 0.06 0.09 0.13 -0.04 2.09 2.34 1l5hA1 GLU 380 HB3 0.10 -0.09 -0.38 -0.04 1.99 1.58 1l5hA1 GLU 380 HG2 0.05 0.01 0.13 -0.04 2.34 2.49 1l5hA1 GLU 380 HG3 0.07 0.02 0.05 -0.04 2.34 2.43 1l5hA1 GLU 408 HA 0.11 -0.02 0.24 -0.75 4.29 3.86 1l5hA1 GLU 408 HB2 0.18 -0.31 0.18 -0.04 2.09 2.10 1l5hA1 GLU 408 HB3 0.12 0.09 0.11 -0.04 1.99 2.27 1l5hA1 GLU 408 HG2 0.11 0.06 0.16 -0.04 2.34 2.63 1l5hA1 GLU 408 HG3 0.13 0.04 -0.20 -0.04 2.34 2.28 1l5hA1 PHE 409 H 0.21 0.10 0.03 -0.55 8.34 8.13 1l5hA1 PHE 409 HA -0.00 0.03 0.32 -0.75 4.62 4.21 1l5hA1 PHE 409 HB2 0.02 -0.00 -0.14 -0.04 3.15 2.99 1l5hA1 PHE 409 HB3 0.06 0.20 0.30 -0.04 3.06 3.59 1l5hA1 PHE 409 HD2 -0.01 0.02 -0.05 -0.04 7.28 7.19 1l5hA1 PHE 409 HE2 0.32 0.06 -0.05 -0.04 7.38 7.67 1l5hA1 PHE 409 HZ 0.20 0.06 -0.10 -0.04 7.32 7.43 1l5hA1 GLU 410 H 0.16 0.27 -0.58 -0.55 8.60 7.90 1l5hA1 GLU 410 HA 0.04 0.21 0.60 -0.75 4.29 4.38 1l5hA1 GLU 410 HB2 0.07 0.07 0.06 -0.04 2.09 2.25 1l5hA1 GLU 410 HB3 0.06 -0.08 0.08 -0.04 1.99 2.01 1l5hA1 GLU 410 HG2 -0.01 0.05 0.00 -0.04 2.34 2.34 1l5hA1 GLU 410 HG3 -0.00 0.02 -0.02 -0.04 2.34 2.29 1l5hA1 GLU 411 H 0.08 0.07 -0.02 -0.55 8.60 8.19 1l5hA1 GLU 411 HA 0.04 0.19 0.43 -0.75 4.29 4.19 1l5hA1 GLU 411 HB2 0.06 -0.01 0.10 -0.04 2.09 2.20 1l5hA1 GLU 411 HB3 0.07 0.02 -0.05 -0.04 1.99 1.98 1l5hA1 GLU 411 HG2 0.03 0.04 0.02 -0.04 2.34 2.39 1l5hA1 GLU 411 HG3 0.03 0.02 -0.00 -0.04 2.34 2.35 1l5hA1 PHE 412 H 0.20 -0.10 -0.32 -0.55 8.34 7.56 1l5hA1 PHE 412 HA -0.02 0.09 0.29 -0.75 4.62 4.23 1l5hA1 PHE 412 HB2 0.02 -0.11 0.06 -0.04 3.15 3.08 1l5hA1 PHE 412 HB3 -0.10 0.02 -0.01 -0.04 3.06 2.92 1l5hA1 PHE 412 HD2 -0.08 0.01 -0.21 -0.04 7.28 6.96 1l5hA1 PHE 412 HE2 -0.02 0.01 -0.10 -0.04 7.38 7.23 1l5hA1 PHE 412 HZ -0.02 0.02 -0.15 -0.04 7.32 7.14 1l5hA1 VAL 413 H 0.10 0.27 -0.50 -0.55 8.24 7.56 1l5hA1 VAL 413 HA 0.04 0.03 0.35 -0.75 4.13 3.79 1l5hA1 VAL 413 HB 0.04 0.15 0.10 -0.04 2.12 2.36 1l5hA1 VAL 413 HG13 0.05 0.01 -0.14 -0.04 0.97 0.85 1l5hA1 VAL 413 HG23 -0.17 0.00 0.03 -0.04 0.95 0.77 1l5hA1 LYS 414 H 0.02 0.22 -0.28 -0.55 8.42 7.82 1l5hA1 LYS 414 HA -0.00 0.13 0.47 -0.75 4.32 4.16 1l5hA1 LYS 414 HB2 0.00 0.02 0.16 -0.04 1.87 2.02 1l5hA1 LYS 414 HB3 0.00 -0.01 0.05 -0.04 1.79 1.79 1l5hA1 LYS 414 HG2 0.03 0.06 0.05 -0.04 1.46 1.55 1l5hA1 LYS 414 HG3 0.03 0.13 0.07 -0.04 1.46 1.64 1l5hA1 LYS 414 HD2 0.01 0.04 0.02 -0.04 1.69 1.73 1l5hA1 LYS 414 HD3 0.02 -0.02 -0.02 -0.04 1.68 1.62 1l5hA1 LYS 414 HE2 0.02 -0.12 -0.05 -0.04 2.99 2.80 1l5hA1 LYS 414 HE3 0.01 0.03 0.01 -0.04 2.99 2.99 1l5hA1 ARG 415 H -0.07 0.46 -0.19 -0.55 8.46 8.11 1l5hA1 ARG 415 HA -0.06 0.08 0.52 -0.75 4.34 4.13 1l5hA1 ARG 415 HB2 -0.06 -0.05 0.04 -0.04 1.90 1.79 1l5hA1 ARG 415 HB3 -0.17 0.05 0.05 -0.04 1.80 1.69 1l5hA1 ARG 415 HG2 -0.08 -0.09 -0.02 -0.04 1.67 1.44 1l5hA1 ARG 415 HG3 -0.10 0.03 0.00 -0.04 1.67 1.56 1l5hA1 ARG 415 HD2 -0.05 0.08 0.07 -0.04 3.22 3.29 1l5hA1 ARG 415 HD3 -0.03 -0.04 -0.01 -0.04 3.22 3.10 1l5hA1 ILE 416 H -0.17 0.24 -0.18 -0.55 8.25 7.59 1l5hA1 ILE 416 HA -0.16 0.08 0.70 -0.75 4.18 4.04 1l5hA1 ILE 416 HB -0.18 0.00 0.03 -0.04 1.89 1.70 1l5hA1 ILE 416 HG12 -0.73 0.25 0.00 -0.04 1.49 0.97 1l5hA1 ILE 416 HG13 -0.91 -0.09 -0.07 -0.04 1.21 0.09 1l5hA1 ILE 416 HG23 -0.11 -0.01 -0.09 -0.04 0.93 0.68 1l5hA1 ILE 416 HD13 -0.35 -0.01 -0.09 -0.04 0.88 0.39 1l5hA1 LYS 417 H -0.07 0.41 -0.11 -0.55 8.42 8.09 1l5hA1 LYS 417 HA -0.05 0.07 0.39 -0.75 4.32 3.98 1l5hA1 LYS 417 HB2 -0.05 -0.04 -0.34 -0.04 1.87 1.39 1l5hA1 LYS 417 HB3 -0.04 -0.02 0.21 -0.04 1.79 1.89 1l5hA1 LYS 417 HG2 -0.03 0.05 0.10 -0.04 1.46 1.54 1l5hA1 LYS 417 HG3 -0.03 -0.10 0.04 -0.04 1.46 1.33 1l5hA1 LYS 417 HD2 -0.04 -0.03 0.03 -0.04 1.69 1.61 1l5hA1 LYS 417 HD3 -0.04 0.11 -0.00 -0.04 1.68 1.70 1l5hA1 LYS 417 HE2 -0.01 -0.01 0.04 -0.04 2.99 2.97 1l5hA1 LYS 417 HE3 -0.01 -0.10 0.04 -0.04 2.99 2.88 1l5hA1 PRO 418 HA -0.07 0.10 0.47 -0.51 4.44 4.44 1l5hA1 PRO 418 HB2 -0.11 -0.09 -0.02 -0.04 2.28 2.02 1l5hA1 PRO 418 HB3 -0.08 -0.00 0.11 -0.04 2.02 2.01 1l5hA1 PRO 418 HG2 -0.06 -0.05 -0.03 -0.04 2.03 1.86 1l5hA1 PRO 418 HG3 -0.04 0.01 -0.08 -0.04 2.03 1.88 1l5hA1 PRO 418 HD2 -0.06 0.09 0.05 -0.04 3.68 3.72 1l5hA1 PRO 418 HD3 -0.05 0.18 0.13 -0.04 3.65 3.88 1l5hA1 ASP 419 H -0.10 0.59 0.41 -0.55 8.40 8.76 1l5hA1 ASP 419 HA -0.13 0.26 0.88 -0.75 4.63 4.89 1l5hA1 ASP 419 HB2 -0.08 -0.04 0.05 -0.04 2.71 2.60 1l5hA1 ASP 419 HB3 -0.09 0.02 0.10 -0.04 2.70 2.69 1l5hA1 LEU 420 H -0.14 0.14 0.19 -0.55 8.37 8.02 1l5hA1 LEU 420 HA -0.21 0.22 0.35 -0.75 4.35 3.96 1l5hA1 LEU 420 HB2 -0.12 -0.08 -0.13 -0.04 1.64 1.26 1l5hA1 LEU 420 HB3 -0.15 0.29 -0.09 -0.04 1.64 1.66 1l5hA1 LEU 420 HG -0.11 -0.14 -0.35 -0.04 1.64 0.99 1l5hA1 LEU 420 HD13 0.02 0.00 -0.15 -0.04 0.93 0.76 1l5hA1 LEU 420 HD23 -0.08 0.02 -0.29 -0.04 0.89 0.49 1l5hA1 ILE 421 H -0.25 0.74 0.20 -0.55 8.25 8.39 1l5hA1 ILE 421 HA -0.24 0.12 0.88 -0.75 4.18 4.18 1l5hA1 ILE 421 HB -0.67 -0.09 0.10 -0.04 1.89 1.19 1l5hA1 ILE 421 HG12 -0.39 0.17 -0.02 -0.04 1.49 1.21 1l5hA1 ILE 421 HG13 -1.28 -0.01 -0.05 -0.04 1.21 -0.17 1l5hA1 ILE 421 HG23 -0.29 -0.03 -0.04 -0.04 0.93 0.53 1l5hA1 ILE 421 HD13 -0.22 -0.00 -0.16 -0.04 0.88 0.46 1l5hA1 GLY 422 H -0.20 0.71 0.19 -0.55 8.43 8.58 1l5hA1 GLY 422 HA2 -0.10 0.16 0.33 -0.51 4.01 3.89 1l5hA1 GLY 422 HA3 -0.12 -0.05 0.13 -0.51 4.01 3.46 1l5hA1 SER 423 H -0.18 0.42 0.02 -0.55 8.46 8.18 1l5hA1 SER 423 HA -0.13 0.07 0.31 -0.75 4.49 3.99 1l5hA1 SER 423 HB2 0.06 -0.13 0.19 -0.04 3.95 4.02 1l5hA1 SER 423 HB3 0.04 0.17 -0.09 -0.04 3.93 4.00 1l5hA1 GLY 424 H 0.03 0.02 0.09 -0.55 8.43 8.02 1l5hA1 GLY 424 HA2 -0.24 -0.04 0.37 -0.51 4.01 3.59 1l5hA1 GLY 424 HA3 -0.22 0.17 0.45 -0.51 4.01 3.89 1l5hA1 ILE 425 H -0.62 0.09 0.11 -0.55 8.25 7.28 1l5hA1 ILE 425 HA -0.18 -0.09 0.34 -0.75 4.18 3.50 1l5hA1 ILE 425 HB 0.14 0.12 0.08 -0.04 1.89 2.19 1l5hA1 ILE 425 HG12 -0.99 -0.05 -0.02 -0.04 1.49 0.39 1l5hA1 ILE 425 HG13 -1.37 0.08 0.02 -0.04 1.21 -0.10 1l5hA1 ILE 425 HG23 -0.10 0.02 0.04 -0.04 0.93 0.85 1l5hA1 ILE 425 HD13 -0.72 -0.02 0.09 -0.04 0.88 0.20 1l5hA1 LYS 426 H 0.01 -0.12 -0.19 -0.55 8.42 7.56 1l5hA1 LYS 426 HA 0.16 0.15 0.17 -0.75 4.32 4.05 1l5hA1 LYS 426 HB2 -0.04 -0.07 0.05 -0.04 1.87 1.77 1l5hA1 LYS 426 HB3 -0.07 -0.00 0.07 -0.04 1.79 1.75 1l5hA1 LYS 426 HG2 0.10 0.01 -0.01 -0.04 1.46 1.51 1l5hA1 LYS 426 HG3 -0.08 0.01 0.02 -0.04 1.46 1.37 1l5hA1 LYS 426 HD2 -0.12 -0.05 0.11 -0.04 1.69 1.58 1l5hA1 LYS 426 HD3 -0.11 0.08 0.06 -0.04 1.68 1.66 1l5hA1 LYS 426 HE2 0.12 -0.01 -0.01 -0.04 2.99 3.05 1l5hA1 LYS 426 HE3 -0.23 0.00 0.01 -0.04 2.99 2.74 1l5hA1 GLU 427 H -0.23 0.04 0.12 -0.55 8.60 7.98 1l5hA1 GLU 427 HA -0.09 -0.03 0.42 -0.75 4.29 3.84 1l5hA1 GLU 427 HB2 -0.03 -0.06 -0.11 -0.04 2.09 1.86 1l5hA1 GLU 427 HB3 -0.04 0.29 0.46 -0.04 1.99 2.65 1l5hA1 GLU 427 HG2 0.10 -0.21 -0.03 -0.04 2.34 2.16 1l5hA1 GLU 427 HG3 0.18 0.00 0.04 -0.04 2.34 2.52 1l5hA1 LYS 428 H -0.52 0.12 0.16 -0.55 8.42 7.62 1l5hA1 LYS 428 HA -0.39 0.16 0.38 -0.75 4.32 3.72 1l5hA1 LYS 428 HB2 -0.17 0.08 0.08 -0.04 1.87 1.82 1l5hA1 LYS 428 HB3 -0.50 0.09 0.17 -0.04 1.79 1.51 1l5hA1 LYS 428 HG2 -0.55 -0.14 0.17 -0.04 1.46 0.89 1l5hA1 LYS 428 HG3 -1.29 0.01 0.01 -0.04 1.46 0.15 1l5hA1 LYS 428 HD2 -0.06 0.05 0.09 -0.04 1.69 1.72 1l5hA1 LYS 428 HD3 -0.29 -0.00 0.04 -0.04 1.68 1.39 1l5hA1 LYS 428 HE2 -0.31 -0.01 -0.03 -0.04 2.99 2.60 1l5hA1 LYS 428 HE3 -0.03 0.04 0.03 -0.04 2.99 2.98 1l5hA1 PHE 429 H -0.28 0.02 -0.25 -0.55 8.34 7.28 1l5hA1 PHE 429 HA 0.07 0.10 0.34 -0.75 4.62 4.38 1l5hA1 PHE 429 HB2 -0.02 -0.01 -0.00 -0.04 3.15 3.07 1l5hA1 PHE 429 HB3 0.01 0.07 0.03 -0.04 3.06 3.13 1l5hA1 PHE 429 HD2 -0.00 -0.00 0.02 -0.04 7.28 7.25 1l5hA1 PHE 429 HE2 0.01 0.03 0.01 -0.04 7.38 7.39 1l5hA1 PHE 429 HZ 0.03 0.05 0.01 -0.04 7.32 7.37 1l5hA1 ILE 430 H 0.02 0.31 -0.27 -0.55 8.25 7.76 1l5hA1 ILE 430 HA 0.00 0.08 0.49 -0.75 4.18 4.00 1l5hA1 ILE 430 HB -0.36 0.13 0.12 -0.04 1.89 1.75 1l5hA1 ILE 430 HG12 -0.03 -0.02 0.00 -0.04 1.49 1.40 1l5hA1 ILE 430 HG13 -0.02 -0.09 0.06 -0.04 1.21 1.11 1l5hA1 ILE 430 HG23 -0.19 0.00 -0.07 -0.04 0.93 0.64 1l5hA1 ILE 430 HD13 -0.09 0.02 0.02 -0.04 0.88 0.79 1l5hA1 PHE 431 H 0.01 0.19 -0.08 -0.55 8.34 7.91 1l5hA1 PHE 431 HA 0.07 0.05 0.40 -0.75 4.62 4.38 1l5hA1 PHE 431 HB2 0.11 0.03 0.12 -0.04 3.15 3.36 1l5hA1 PHE 431 HB3 0.10 0.16 -0.04 -0.04 3.06 3.23 1l5hA1 PHE 431 HD2 0.04 -0.01 -0.06 -0.04 7.28 7.21 1l5hA1 PHE 431 HE2 0.15 0.15 -0.04 -0.04 7.38 7.60 1l5hA1 PHE 431 HZ 0.60 -0.04 -0.05 -0.04 7.32 7.78 1l5hA1 GLN 432 H 0.21 0.52 -0.11 -0.55 8.47 8.54 1l5hA1 GLN 432 HA 0.39 0.09 0.29 -0.75 4.36 4.37 1l5hA1 GLN 432 HB2 0.20 0.00 0.08 -0.04 2.15 2.39 1l5hA1 GLN 432 HB3 0.25 0.01 -0.12 -0.04 2.02 2.12 1l5hA1 GLN 432 HG2 0.60 0.03 -0.05 -0.04 2.40 2.94 1l5hA1 GLN 432 HG3 0.18 -0.00 -0.08 -0.04 2.39 2.44 1l5hA1 GLN 432 HE21 0.10 -0.01 -0.05 -0.04 6.97 6.96 1l5hA1 GLN 432 HE22 0.16 -0.02 -0.05 -0.04 7.69 7.73 1l5hA1 LYS 433 H 0.15 0.34 -0.31 -0.55 8.42 8.04 1l5hA1 LYS 433 HA 0.12 0.02 0.42 -0.75 4.32 4.13 1l5hA1 LYS 433 HB2 0.06 0.19 0.14 -0.04 1.87 2.22 1l5hA1 LYS 433 HB3 0.06 -0.06 0.08 -0.04 1.79 1.83 1l5hA1 LYS 433 HG2 0.11 0.25 0.16 -0.04 1.46 1.95 1l5hA1 LYS 433 HG3 0.06 -0.09 0.07 -0.04 1.46 1.45 1l5hA1 LYS 433 HD2 0.06 -0.01 0.05 -0.04 1.69 1.75 1l5hA1 LYS 433 HD3 0.10 0.01 0.00 -0.04 1.68 1.75 1l5hA1 LYS 433 HE2 0.11 -0.01 0.01 -0.04 2.99 3.05 1l5hA1 LYS 433 HE3 0.05 -0.04 0.01 -0.04 2.99 2.97 1l5hA1 MET 434 H 0.13 0.26 -0.51 -0.55 8.47 7.79 1l5hA1 MET 434 HA 0.07 0.06 0.58 -0.75 4.52 4.47 1l5hA1 MET 434 HB2 0.14 0.11 0.12 -0.04 2.15 2.48 1l5hA1 MET 434 HB3 0.08 -0.04 0.14 -0.04 2.03 2.16 1l5hA1 MET 434 HG2 0.03 -0.05 -0.02 -0.04 2.63 2.54 1l5hA1 MET 434 HG3 0.02 0.19 0.03 -0.04 2.56 2.76 1l5hA1 MET 434 HE3 0.06 0.03 0.00 -0.04 2.10 2.15 1l5hA1 GLY 435 H 0.22 0.49 -0.49 -0.55 8.43 8.10 1l5hA1 GLY 435 HA2 0.42 -0.01 0.30 -0.51 4.01 4.21 1l5hA1 GLY 435 HA3 0.15 0.05 0.46 -0.51 4.01 4.15 1l5hA1 ILE 436 H 0.04 0.40 -0.21 -0.55 8.25 7.93 1l5hA1 ILE 436 HA -0.43 0.39 1.04 -0.75 4.18 4.42 1l5hA1 ILE 436 HB 0.07 -0.16 -0.07 -0.04 1.89 1.69 1l5hA1 ILE 436 HG12 0.05 0.06 -0.41 -0.04 1.49 1.15 1l5hA1 ILE 436 HG13 0.04 -0.12 -0.16 -0.04 1.21 0.93 1l5hA1 ILE 436 HG23 -0.17 0.04 -0.28 -0.04 0.93 0.48 1l5hA1 ILE 436 HD13 -0.08 0.12 -0.28 -0.04 0.88 0.60 1l5hA1 PRO 437 HA -0.14 -0.02 0.38 -0.51 4.44 4.16 1l5hA1 PRO 437 HB2 -0.21 -0.05 0.09 -0.04 2.28 2.07 1l5hA1 PRO 437 HB3 -0.07 -0.06 0.02 -0.04 2.02 1.86 1l5hA1 PRO 437 HG2 -0.61 0.19 0.09 -0.04 2.03 1.67 1l5hA1 PRO 437 HG3 -1.56 0.01 0.02 -0.04 2.03 0.46 1l5hA1 PRO 437 HD2 -0.52 0.34 0.14 -0.04 3.68 3.60 1l5hA1 PRO 437 HD3 -1.26 0.28 0.10 -0.04 3.65 2.73 1l5hA1 PHE 438 H 0.20 0.15 0.03 -0.55 8.34 8.16 1l5hA1 PHE 438 HA -0.07 0.27 0.77 -0.75 4.62 4.84 1l5hA1 PHE 438 HB2 -0.05 0.16 -0.14 -0.04 3.15 3.08 1l5hA1 PHE 438 HB3 0.04 -0.11 0.19 -0.04 3.06 3.14 1l5hA1 PHE 438 HD2 -0.21 0.04 -0.15 -0.04 7.28 6.91 1l5hA1 PHE 438 HE2 0.07 0.08 -0.20 -0.04 7.38 7.28 1l5hA1 PHE 438 HZ 0.05 -0.07 -0.22 -0.04 7.32 7.04 1l5hA1 ARG 439 H -0.02 0.34 -0.07 -0.55 8.46 8.17 1l5hA1 ARG 439 HA 0.27 0.04 0.79 -0.75 4.34 4.69 1l5hA1 ARG 439 HB2 0.16 -0.03 -0.08 -0.04 1.90 1.91 1l5hA1 ARG 439 HB3 0.14 0.05 0.04 -0.04 1.80 1.98 1l5hA1 ARG 439 HG2 0.21 -0.01 0.01 -0.04 1.67 1.84 1l5hA1 ARG 439 HG3 0.30 0.03 0.09 -0.04 1.67 2.05 1l5hA1 ARG 439 HD2 0.25 0.04 -0.07 -0.04 3.22 3.39 1l5hA1 ARG 439 HD3 0.59 -0.07 -0.01 -0.04 3.22 3.69 1l5hA1 GLU 440 H 0.23 0.04 0.03 -0.55 8.60 8.36 1l5hA1 GLU 440 HA 0.15 0.27 0.69 -0.75 4.29 4.65 1l5hA1 GLU 440 HB2 0.16 -0.43 0.34 -0.04 2.09 2.12 1l5hA1 GLU 440 HB3 0.02 0.16 0.05 -0.04 1.99 2.18 1l5hA1 GLU 440 HG2 0.41 0.05 0.07 -0.04 2.34 2.84 1l5hA1 GLU 440 HG3 0.41 -0.16 -0.00 -0.04 2.34 2.55 1l5hA1 MET 441 H 0.09 0.13 0.18 -0.55 8.47 8.32 1l5hA1 MET 441 HA -0.31 0.12 0.41 -0.75 4.52 3.98 1l5hA1 MET 441 HB2 -0.04 -0.01 0.16 -0.04 2.15 2.21 1l5hA1 MET 441 HB3 -0.24 -0.06 -0.08 -0.04 2.03 1.61 1l5hA1 MET 441 HG2 -0.61 -0.02 0.03 -0.04 2.63 1.98 1l5hA1 MET 441 HG3 -1.84 0.00 0.06 -0.04 2.56 0.75 1l5hA1 MET 441 HE3 -0.01 -0.01 -0.00 -0.04 2.10 2.05 1l5hA1 HIS 442 H -0.03 0.08 -0.16 -0.55 8.41 7.75 1l5hA1 HIS 442 HA -0.40 0.16 0.89 -0.75 4.63 4.53 1l5hA1 HIS 442 HB2 -1.67 0.03 -0.04 -0.04 3.26 1.55 1l5hA1 HIS 442 HB3 -1.51 -0.10 -0.04 -0.04 3.20 1.51 1l5hA1 HIS 442 HD2 -0.20 -0.02 -0.14 -0.04 6.97 6.56 1l5hA1 HIS 442 HE1 -0.62 -0.06 -0.01 -0.04 7.75 7.01 1l5hA1 SER 443 H -0.64 0.06 -0.00 -0.55 8.46 7.33 1l5hA1 SER 443 HA -0.82 0.10 0.20 -0.75 4.49 3.21 1l5hA1 SER 443 HB2 -0.41 -0.21 -0.10 -0.04 3.95 3.19 1l5hA1 SER 443 HB3 -0.44 0.27 -0.27 -0.04 3.93 3.46 1l5hA1 TRP 444 H -0.28 -0.01 -0.17 -0.55 7.97 6.97 1l5hA1 TRP 444 HA -0.06 -0.07 0.33 -0.75 4.62 4.07 1l5hA1 TRP 444 HB2 0.01 0.33 -0.08 -0.04 3.23 3.45 1l5hA1 TRP 444 HB3 0.02 0.05 -0.00 -0.04 3.23 3.25 1l5hA1 TRP 444 HD1 0.09 0.06 -0.07 -0.04 7.22 7.26 1l5hA1 TRP 444 HE1 0.00 -0.03 -0.02 -0.04 10.20 10.11 1l5hA1 TRP 444 HE3 -0.07 0.03 0.08 -0.04 7.59 7.59 1l5hA1 TRP 444 HZ2 -0.24 -0.01 -0.02 -0.04 7.44 7.12 1l5hA1 TRP 444 HZ3 -0.13 0.01 -0.02 -0.04 7.13 6.96 1l5hA1 TRP 444 HH2 -0.23 0.00 -0.02 -0.04 7.19 6.90 1l5hA1 ASP 445 H 0.10 0.55 -0.05 -0.55 8.40 8.45 1l5hA1 ASP 445 HA 0.17 0.36 1.32 -0.75 4.63 5.72 1l5hA1 ASP 445 HB2 0.23 -0.00 0.13 -0.04 2.71 3.02 1l5hA1 ASP 445 HB3 0.23 0.05 0.00 -0.04 2.70 2.93 1l5hA1 TYR 446 H -0.20 -0.04 0.07 -0.55 8.29 7.58 1l5hA1 TYR 446 HA 0.08 0.33 1.10 -0.75 4.56 5.30 1l5hA1 TYR 446 HB2 0.07 0.05 0.03 -0.04 3.06 3.17 1l5hA1 TYR 446 HB3 0.09 0.02 -0.26 -0.04 2.98 2.79 1l5hA1 TYR 446 HD2 0.09 0.01 -0.19 -0.04 7.15 7.01 1l5hA1 TYR 446 HE2 0.11 0.02 -0.01 -0.04 6.85 6.93 1l5hA1 SER 447 H -0.73 -0.06 0.06 -0.55 8.46 7.19 1l5hA1 SER 447 HA 0.07 0.33 0.91 -0.75 4.49 5.04 1l5hA1 SER 447 HB2 -0.08 0.00 0.05 -0.04 3.95 3.88 1l5hA1 SER 447 HB3 -0.13 -0.07 0.15 -0.04 3.93 3.84 1l5hA1 GLY 448 H -0.08 0.14 0.05 -0.55 8.43 7.99 1l5hA1 GLY 448 HA2 -0.37 -0.03 0.04 -0.51 4.01 3.14 1l5hA1 GLY 448 HA3 -0.40 0.03 0.71 -0.51 4.01 3.84 1l5hA1 PRO 449 HA -0.25 -0.01 0.30 -0.51 4.44 3.96 1l5hA1 PRO 449 HB2 -0.01 -0.13 -0.03 -0.04 2.28 2.07 1l5hA1 PRO 449 HB3 -0.09 -0.05 -0.44 -0.04 2.02 1.40 1l5hA1 PRO 449 HG2 0.08 -0.00 -0.12 -0.04 2.03 1.94 1l5hA1 PRO 449 HG3 0.08 0.02 -0.05 -0.04 2.03 2.05 1l5hA1 PRO 449 HD2 0.07 0.14 0.34 -0.04 3.68 4.19 1l5hA1 PRO 449 HD3 0.04 0.24 0.19 -0.04 3.65 4.07 1l5hA1 TYR 450 H -0.08 0.01 0.17 -0.55 8.29 7.83 1l5hA1 TYR 450 HA 0.10 0.41 0.89 -0.75 4.56 5.20 1l5hA1 TYR 450 HB2 -0.14 -0.11 0.08 -0.04 3.06 2.85 1l5hA1 TYR 450 HB3 0.14 0.06 0.12 -0.04 2.98 3.25 1l5hA1 TYR 450 HD2 0.03 0.22 -0.32 -0.04 7.15 7.04 1l5hA1 TYR 450 HE2 0.01 0.12 -0.26 -0.04 6.85 6.68 1l5hA1 HIS 451 H 0.13 -0.05 0.09 -0.55 8.41 8.03 1l5hA1 HIS 451 HA 0.05 0.38 1.04 -0.75 4.63 5.34 1l5hA1 HIS 451 HB2 0.01 -0.08 0.05 -0.04 3.26 3.20 1l5hA1 HIS 451 HB3 0.10 -0.00 0.03 -0.04 3.20 3.29 1l5hA1 HIS 451 HD2 0.20 -0.01 -0.06 -0.04 6.97 7.06 1l5hA1 HIS 451 HE1 -0.72 0.15 -0.09 -0.04 7.75 7.04 1l5hA1 GLY 452 H 0.03 0.54 0.32 -0.55 8.43 8.77 1l5hA1 GLY 452 HA2 -0.34 0.06 0.38 -0.51 4.01 3.60 1l5hA1 GLY 452 HA3 -0.06 0.24 0.62 -0.51 4.01 4.31 1l5hA1 PHE 453 H -0.34 0.22 0.17 -0.55 8.34 7.84 1l5hA1 PHE 453 HA -0.09 0.10 0.50 -0.75 4.62 4.39 1l5hA1 PHE 453 HB2 -0.58 0.02 0.12 -0.04 3.15 2.68 1l5hA1 PHE 453 HB3 -0.04 0.07 0.01 -0.04 3.06 3.06 1l5hA1 PHE 453 HD2 -0.66 -0.00 0.00 -0.04 7.28 6.58 1l5hA1 PHE 453 HE2 -0.33 0.03 -0.06 -0.04 7.38 6.98 1l5hA1 PHE 453 HZ -0.18 0.05 -0.12 -0.04 7.32 7.03 1l5hA1 ASP 454 H 0.05 0.12 0.04 -0.55 8.40 8.07 1l5hA1 ASP 454 HA 0.17 0.12 0.40 -0.75 4.63 4.56 1l5hA1 ASP 454 HB2 0.10 -0.00 0.06 -0.04 2.71 2.82 1l5hA1 ASP 454 HB3 0.12 0.08 0.02 -0.04 2.70 2.87 1l5hA1 GLY 455 H 0.09 0.09 -0.73 -0.55 8.43 7.34 1l5hA1 GLY 455 HA2 0.16 0.23 0.16 -0.51 4.01 4.05 1l5hA1 GLY 455 HA3 0.15 0.04 -0.32 -0.51 4.01 3.37 1l5hA1 PHE 456 H 0.23 0.29 -0.53 -0.55 8.34 7.77 1l5hA1 PHE 456 HA -0.04 0.03 0.37 -0.75 4.62 4.22 1l5hA1 PHE 456 HB2 -0.08 -0.02 0.08 -0.04 3.15 3.09 1l5hA1 PHE 456 HB3 0.09 0.17 0.10 -0.04 3.06 3.38 1l5hA1 PHE 456 HD2 -0.03 -0.01 0.03 -0.04 7.28 7.23 1l5hA1 PHE 456 HE2 0.05 0.09 0.01 -0.04 7.38 7.48 1l5hA1 PHE 456 HZ 0.06 0.10 -0.14 -0.04 7.32 7.29 1l5hA1 ALA 457 H 0.17 0.31 -0.24 -0.55 8.40 8.09 1l5hA1 ALA 457 HA -0.11 0.06 0.42 -0.75 4.34 3.96 1l5hA1 ALA 457 HB3 0.11 0.05 0.07 -0.04 1.41 1.60 1l5hA1 ILE 458 H 0.08 0.30 -0.26 -0.55 8.25 7.83 1l5hA1 ILE 458 HA 0.04 0.04 0.39 -0.75 4.18 3.90 1l5hA1 ILE 458 HB 0.22 0.28 0.18 -0.04 1.89 2.53 1l5hA1 ILE 458 HG12 0.10 -0.04 0.00 -0.04 1.49 1.52 1l5hA1 ILE 458 HG13 0.11 0.06 0.09 -0.04 1.21 1.42 1l5hA1 ILE 458 HG23 0.21 -0.03 -0.09 -0.04 0.93 0.98 1l5hA1 ILE 458 HD13 0.11 0.01 -0.18 -0.04 0.88 0.78 1l5hA1 PHE 459 H 0.09 0.54 -0.12 -0.55 8.34 8.29 1l5hA1 PHE 459 HA -0.74 -0.01 0.41 -0.75 4.62 3.52 1l5hA1 PHE 459 HB2 -0.46 -0.01 0.15 -0.04 3.15 2.79 1l5hA1 PHE 459 HB3 -0.32 0.08 0.18 -0.04 3.06 2.96 1l5hA1 PHE 459 HD2 -0.87 0.03 -0.11 -0.04 7.28 6.28 1l5hA1 PHE 459 HE2 -0.28 0.09 -0.19 -0.04 7.38 6.96 1l5hA1 PHE 459 HZ -0.88 -0.01 -0.13 -0.04 7.32 6.26 1l5hA1 ALA 460 H -0.33 0.65 -0.15 -0.55 8.40 8.02 1l5hA1 ALA 460 HA -0.53 0.01 0.38 -0.75 4.34 3.45 1l5hA1 ALA 460 HB3 -0.61 0.02 0.09 -0.04 1.41 0.87 1l5hA1 ARG 461 H -0.43 0.59 -0.11 -0.55 8.46 7.96 1l5hA1 ARG 461 HA -0.81 0.06 0.43 -0.75 4.34 3.26 1l5hA1 ARG 461 HB2 -0.15 -0.01 0.09 -0.04 1.90 1.79 1l5hA1 ARG 461 HB3 -0.12 0.08 0.17 -0.04 1.80 1.88 1l5hA1 ARG 461 HG2 -0.00 -0.01 -0.21 -0.04 1.67 1.41 1l5hA1 ARG 461 HG3 -0.03 -0.04 -0.08 -0.04 1.67 1.48 1l5hA1 ARG 461 HD2 0.06 -0.01 -0.04 -0.04 3.22 3.19 1l5hA1 ARG 461 HD3 0.08 0.00 -0.01 -0.04 3.22 3.26 1l5hA1 ASP 462 H -0.20 0.50 -0.14 -0.55 8.40 8.02 1l5hA1 ASP 462 HA 0.03 0.01 0.41 -0.75 4.63 4.32 1l5hA1 ASP 462 HB2 -0.15 0.09 0.14 -0.04 2.71 2.74 1l5hA1 ASP 462 HB3 0.13 -0.05 -0.00 -0.04 2.70 2.74 1l5hA1 MET 463 H -0.48 0.57 -0.18 -0.55 8.47 7.83 1l5hA1 MET 463 HA -0.21 -0.02 0.40 -0.75 4.52 3.93 1l5hA1 MET 463 HB2 -0.53 0.14 0.18 -0.04 2.15 1.90 1l5hA1 MET 463 HB3 -0.25 0.02 -0.05 -0.04 2.03 1.72 1l5hA1 MET 463 HG2 -1.39 0.04 0.02 -0.04 2.63 1.25 1l5hA1 MET 463 HG3 -0.95 -0.09 -0.08 -0.04 2.56 1.40 1l5hA1 MET 463 HE3 -0.12 0.02 -0.05 -0.04 2.10 1.91 1l5hA1 ASP 464 H -0.25 0.48 -0.18 -0.55 8.40 7.91 1l5hA1 ASP 464 HA 0.01 0.08 0.36 -0.75 4.63 4.32 1l5hA1 ASP 464 HB2 0.12 0.00 0.07 -0.04 2.71 2.86 1l5hA1 ASP 464 HB3 -0.11 0.10 0.18 -0.04 2.70 2.83 1l5hA1 MET 465 H -0.02 0.46 -0.15 -0.55 8.47 8.21 1l5hA1 MET 465 HA 0.06 0.04 0.36 -0.75 4.52 4.23 1l5hA1 MET 465 HB2 0.04 -0.07 0.04 -0.04 2.15 2.13 1l5hA1 MET 465 HB3 0.04 0.01 0.09 -0.04 2.03 2.13 1l5hA1 MET 465 HG2 0.05 -0.02 0.21 -0.04 2.63 2.82 1l5hA1 MET 465 HG3 0.09 0.08 -0.02 -0.04 2.56 2.66 1l5hA1 MET 465 HE3 0.07 -0.01 -0.08 -0.04 2.10 2.04 1l5hA1 THR 466 H 0.06 0.54 -0.15 -0.55 8.28 8.19 1l5hA1 THR 466 HA 0.26 -0.01 0.47 -0.75 4.39 4.36 1l5hA1 THR 466 HB 0.08 0.06 0.14 -0.04 4.32 4.56 1l5hA1 THR 466 HG23 0.25 -0.03 -0.06 -0.04 1.22 1.34 1l5hA1 LEU 467 H 0.05 0.61 0.09 -0.55 8.37 8.56 1l5hA1 LEU 467 HA -0.03 0.06 0.45 -0.75 4.35 4.09 1l5hA1 LEU 467 HB2 0.00 0.19 0.17 -0.04 1.64 1.97 1l5hA1 LEU 467 HB3 0.02 0.06 -0.02 -0.04 1.64 1.66 1l5hA1 LEU 467 HG -0.02 -0.04 -0.02 -0.04 1.64 1.53 1l5hA1 LEU 467 HD13 -0.07 -0.00 0.05 -0.04 0.93 0.86 1l5hA1 LEU 467 HD23 -0.05 -0.04 -0.06 -0.04 0.89 0.71 1l5hA1 ASN 468 H 0.09 0.49 -0.11 -0.55 8.53 8.45 1l5hA1 ASN 468 HA 0.11 0.16 0.71 -0.75 4.76 4.99 1l5hA1 ASN 468 HB2 0.07 0.11 0.09 -0.04 2.88 3.11 1l5hA1 ASN 468 HB3 0.06 -0.11 0.16 -0.04 2.79 2.86 1l5hA1 ASN 468 HD21 0.06 0.30 0.09 -0.04 7.03 7.44 1l5hA1 ASN 468 HD22 0.07 -0.05 0.11 -0.04 7.74 7.83 1l5hA1 ASN 469 H 0.23 0.30 -0.39 -0.55 8.53 8.12 1l5hA1 ASN 469 HA 0.06 0.04 0.49 -0.75 4.76 4.59 1l5hA1 ASN 469 HB2 0.09 0.53 0.29 -0.04 2.88 3.75 1l5hA1 ASN 469 HB3 0.01 -0.08 0.16 -0.04 2.79 2.84 1l5hA1 ASN 469 HD21 -0.03 -0.08 0.04 -0.04 7.03 6.91 1l5hA1 ASN 469 HD22 0.01 0.09 0.07 -0.04 7.74 7.87 1l5hA1 PRO 470 HA 0.04 0.13 0.41 -0.51 4.44 4.51 1l5hA1 PRO 470 HB2 -0.01 -0.00 0.05 -0.04 2.28 2.28 1l5hA1 PRO 470 HB3 0.01 0.06 0.14 -0.04 2.02 2.19 1l5hA1 PRO 470 HG2 -0.03 -0.02 0.04 -0.04 2.03 1.97 1l5hA1 PRO 470 HG3 -0.00 0.02 0.09 -0.04 2.03 2.09 1l5hA1 PRO 470 HD2 -0.00 0.04 0.26 -0.04 3.68 3.93 1l5hA1 PRO 470 HD3 0.02 0.23 0.26 -0.04 3.65 4.12 1l5hA1 CYS 471 H -0.18 0.10 -0.52 -0.55 8.50 7.36 1l5hA1 CYS 471 HA -0.16 0.07 0.39 -0.75 4.58 4.13 1l5hA1 CYS 471 HB2 -0.41 -0.00 0.02 -0.04 2.97 2.54 1l5hA1 CYS 471 HB3 -0.28 -0.04 0.04 -0.04 2.97 2.64 1l5hA1 TRP 472 H -0.14 0.41 -0.12 -0.55 7.97 7.56 1l5hA1 TRP 472 HA 0.01 0.05 0.47 -0.75 4.62 4.40 1l5hA1 TRP 472 HB2 0.01 0.13 0.06 -0.04 3.23 3.39 1l5hA1 TRP 472 HB3 0.02 0.08 0.15 -0.04 3.23 3.43 1l5hA1 TRP 472 HD1 0.02 0.22 0.10 -0.04 7.22 7.51 1l5hA1 TRP 472 HE1 0.03 0.11 0.13 -0.04 10.20 10.42 1l5hA1 TRP 472 HE3 0.03 0.03 -0.02 -0.04 7.59 7.60 1l5hA1 TRP 472 HZ2 0.05 -0.11 -0.05 -0.04 7.44 7.29 1l5hA1 TRP 472 HZ3 0.06 0.10 -0.06 -0.04 7.13 7.18 1l5hA1 TRP 472 HH2 0.06 -0.10 -0.14 -0.04 7.19 6.96 1l5hA1 LYS 473 H 0.10 0.27 -0.56 -0.55 8.42 7.67 1l5hA1 LYS 473 HA 0.09 0.17 0.75 -0.75 4.32 4.58 1l5hA1 LYS 473 HB2 0.04 0.05 0.09 -0.04 1.87 2.01 1l5hA1 LYS 473 HB3 0.05 -0.04 0.18 -0.04 1.79 1.93 1l5hA1 LYS 473 HG2 0.09 0.03 -0.05 -0.04 1.46 1.50 1l5hA1 LYS 473 HG3 0.13 -0.00 -0.07 -0.04 1.46 1.48 1l5hA1 LYS 473 HD2 0.04 -0.04 0.04 -0.04 1.69 1.70 1l5hA1 LYS 473 HD3 0.05 -0.05 0.02 -0.04 1.68 1.66 1l5hA1 LYS 473 HE2 0.09 0.12 -0.23 -0.04 2.99 2.93 1l5hA1 LYS 473 HE3 0.05 -0.05 -0.02 -0.04 2.99 2.92 1l5hA1 LYS 474 H 0.03 0.30 -0.39 -0.55 8.42 7.81 1l5hA1 LYS 474 HA -0.02 0.23 0.96 -0.75 4.32 4.73 1l5hA1 LYS 474 HB2 -0.05 0.07 0.02 -0.04 1.87 1.88 1l5hA1 LYS 474 HB3 -0.04 -0.08 0.11 -0.04 1.79 1.74 1l5hA1 LYS 474 HG2 -0.02 0.19 -0.21 -0.04 1.46 1.38 1l5hA1 LYS 474 HG3 -0.04 -0.11 -0.06 -0.04 1.46 1.21 1l5hA1 LYS 474 HD2 -0.02 -0.08 0.00 -0.04 1.69 1.55 1l5hA1 LYS 474 HD3 -0.01 0.16 -0.08 -0.04 1.68 1.71 1l5hA1 LYS 474 HE2 -0.01 0.07 -0.04 -0.04 2.99 2.97 1l5hA1 LYS 474 HE3 -0.02 -0.08 -0.06 -0.04 2.99 2.80 1l5hA1 LEU 475 H 0.04 0.19 -0.08 -0.55 8.37 7.97 1l5hA1 LEU 475 HA -0.00 0.03 0.34 -0.75 4.35 3.95 1l5hA1 LEU 475 HB2 0.05 0.03 0.09 -0.04 1.64 1.77 1l5hA1 LEU 475 HB3 0.03 -0.02 0.01 -0.04 1.64 1.63 1l5hA1 LEU 475 HG 0.14 0.05 0.04 -0.04 1.64 1.83 1l5hA1 LEU 475 HD13 0.07 -0.02 0.03 -0.04 0.93 0.97 1l5hA1 LEU 475 HD23 0.21 0.02 0.12 -0.04 0.89 1.21 1l5hA1 GLN 476 H -0.04 0.09 -0.40 -0.55 8.47 7.58 1l5hA1 GLN 476 HA -0.11 0.12 0.85 -0.75 4.36 4.47 1l5hA1 GLN 476 HB2 -0.04 -0.03 0.01 -0.04 2.15 2.05 1l5hA1 GLN 476 HB3 -0.08 -0.00 -0.06 -0.04 2.02 1.84 1l5hA1 GLN 476 HG2 -0.06 0.02 -0.00 -0.04 2.40 2.32 1l5hA1 GLN 476 HG3 -0.04 -0.03 -0.03 -0.04 2.39 2.25 1l5hA1 GLN 476 HE21 -0.05 -0.09 -0.02 -0.04 6.97 6.77 1l5hA1 GLN 476 HE22 -0.04 -0.03 -0.03 -0.04 7.69 7.56 1l5hA1 ALA 477 H -0.28 0.16 0.15 -0.55 8.40 7.88 1l5hA1 ALA 477 HA -0.49 0.16 0.46 -0.75 4.34 3.71 1l5hA1 ALA 477 HB3 -1.21 0.01 0.07 -0.04 1.41 0.24 1l5hA1 PRO 478 HA -0.09 0.13 0.42 -0.51 4.44 4.39 1l5hA1 PRO 478 HB2 0.08 -0.01 0.10 -0.04 2.28 2.42 1l5hA1 PRO 478 HB3 -0.01 0.07 0.15 -0.04 2.02 2.19 1l5hA1 PRO 478 HG2 0.20 -0.02 0.02 -0.04 2.03 2.20 1l5hA1 PRO 478 HG3 0.06 0.04 0.08 -0.04 2.03 2.17 1l5hA1 PRO 478 HD2 -0.54 0.04 0.23 -0.04 3.68 3.37 1l5hA1 PRO 478 HD3 -0.18 0.26 0.23 -0.04 3.65 3.92 1l5hA1 TRP 479 H -0.69 0.08 -0.69 -0.55 7.97 6.12 1l5hA1 TRP 479 HA 0.01 0.23 0.86 -0.75 4.62 4.96 1l5hA1 TRP 479 HB2 0.01 -0.01 0.16 -0.04 3.23 3.34 1l5hA1 TRP 479 HB3 0.01 0.01 -0.06 -0.04 3.23 3.15 1l5hA1 TRP 479 HD1 0.01 -0.02 -0.02 -0.04 7.22 7.14 1l5hA1 TRP 479 HE1 0.01 0.01 -0.04 -0.04 10.20 10.14 1l5hA1 TRP 479 HE3 0.01 0.00 -0.09 -0.04 7.59 7.47 1l5hA1 TRP 479 HZ2 0.01 0.01 -0.01 -0.04 7.44 7.40 1l5hA1 TRP 479 HZ3 0.00 0.02 -0.00 -0.04 7.13 7.11 1l5hA1 TRP 479 HH2 0.00 0.01 0.00 -0.04 7.19 7.17 1l5hA1 GLU 480 H -0.12 0.37 -0.29 -0.55 8.60 8.01 1l5hA1 GLU 480 HA -0.07 0.10 0.15 -0.75 4.29 3.71 1l5hA1 GLU 480 HB2 0.05 -0.03 -0.28 -0.04 2.09 1.79 1l5hA1 GLU 480 HB3 0.08 0.15 0.19 -0.04 1.99 2.37 1l5hA1 GLU 480 HG2 0.03 -0.03 0.00 -0.04 2.34 2.30 1l5hA1 GLU 480 HG3 0.01 -0.01 0.05 -0.04 2.34 2.35