============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TYR 13 0.840 27.599 45.329 48.460 -99.200 -91.000 PHE 32 1.000 32.171 36.943 50.418 -99.200 -91.000 PHE 40 1.000 30.424 44.647 54.106 -99.200 -91.000 HIS 58 0.900 19.589 48.755 62.078 -99.200 -91.000 TRP 59 1.040 21.576 56.607 57.689 -99.200 -91.000 TRP6 59 1.020 23.454 55.357 57.019 -99.200 -91.000 HIS 66 0.900 28.646 48.335 72.810 -99.200 -91.000 TYR 74 0.840 22.968 48.417 46.869 -99.200 -91.000 TYR 78 0.840 14.715 37.834 45.447 -99.200 -91.000 PHE 97 1.000 20.926 35.727 78.016 -99.200 -91.000 PHE 108 1.000 28.127 35.675 82.980 -99.200 -91.000 TYR 126 0.840 23.782 56.790 69.148 -99.200 -91.000 HIS 128 0.900 15.307 54.638 75.724 -99.200 -91.000 HIS 134 0.900 15.275 46.859 69.391 -99.200 -91.000 TYR 144 0.840 29.134 38.606 72.623 -99.200 -91.000 PHE 158 1.000 17.298 49.598 65.345 -99.200 -91.000 PHE 160 1.000 7.845 44.025 66.711 -99.200 -91.000 HIS 167 0.900 5.995 65.060 78.120 -99.200 -91.000 TYR 175 0.840 1.631 61.067 102.166 -99.200 -91.000 TYR 178 0.840 -8.637 53.966 101.344 -99.200 -91.000 TYR 179 0.840 -11.115 59.123 95.096 -99.200 -91.000 TYR 190 0.840 1.583 51.646 77.909 -99.200 -91.000 TRP 197 1.040 9.337 44.213 81.815 -99.200 -91.000 TRP6 197 1.020 9.395 42.451 80.255 -99.200 -91.000 TYR 204 0.840 15.576 37.240 87.864 -99.200 -91.000 TYR 210 0.840 16.424 31.186 88.159 -99.200 -91.000 PHE 213 1.000 9.711 35.968 81.464 -99.200 -91.000 TYR 214 0.840 4.280 35.335 89.229 -99.200 -91.000 HIS 217 0.900 2.808 22.090 85.471 -99.200 -91.000 TYR 226 0.840 7.912 39.432 87.773 -99.200 -91.000 PHE 228 1.000 16.089 39.773 93.092 -99.200 -91.000 TRP 233 1.040 18.634 35.530 91.731 -99.200 -91.000 TRP6 233 1.020 19.425 37.515 90.734 -99.200 -91.000 PHE 261 1.000 20.795 50.019 83.318 -99.200 -91.000 HIS 264 0.900 22.468 50.639 90.405 -99.200 -91.000 TRP 266 1.040 26.169 45.424 89.531 -99.200 -91.000 TRP6 266 1.020 25.456 44.486 87.490 -99.200 -91.000 HIS 279 0.900 24.852 29.504 91.536 -99.200 -91.000 TRP 291 1.040 17.763 30.296 75.653 -99.200 -91.000 TRP6 291 1.020 18.011 31.999 77.258 -99.200 -91.000 TYR 309 0.840 2.285 53.588 68.809 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2ozaA1 GLY 51 HA2 0.11 -0.04 0.17 -0.51 4.01 3.74 2ozaA1 GLY 51 HA3 0.18 -0.05 0.14 -0.51 4.01 3.78 2ozaA1 LEU 52 H -0.05 0.09 0.07 -0.55 8.37 7.93 2ozaA1 LEU 52 HA -0.68 0.07 0.58 -0.75 4.35 3.56 2ozaA1 LEU 52 HB2 -1.36 0.02 0.05 -0.04 1.64 0.31 2ozaA1 LEU 52 HB3 -0.36 -0.02 0.08 -0.04 1.64 1.29 2ozaA1 LEU 52 HG -0.52 -0.03 -0.52 -0.04 1.64 0.52 2ozaA1 LEU 52 HD13 -1.46 -0.01 -0.07 -0.04 0.93 -0.66 2ozaA1 LEU 52 HD23 -0.31 -0.00 -0.16 -0.04 0.89 0.37 2ozaA1 GLN 53 H -0.37 0.18 0.16 -0.55 8.47 7.89 2ozaA1 GLN 53 HA -0.17 0.19 0.97 -0.75 4.36 4.59 2ozaA1 GLN 53 HB2 -0.14 0.02 0.11 -0.04 2.15 2.09 2ozaA1 GLN 53 HB3 -0.15 -0.05 -0.06 -0.04 2.02 1.73 2ozaA1 GLN 53 HG2 -0.08 -0.05 -0.02 -0.04 2.40 2.21 2ozaA1 GLN 53 HG3 -0.09 0.01 0.05 -0.04 2.39 2.32 2ozaA1 GLN 53 HE21 -0.03 0.02 -0.09 -0.04 6.97 6.83 2ozaA1 GLN 53 HE22 -0.05 -0.05 -0.04 -0.04 7.69 7.51 2ozaA1 ILE 54 H -0.16 0.18 0.05 -0.55 8.25 7.77 2ozaA1 ILE 54 HA -0.26 0.22 0.80 -0.75 4.18 4.18 2ozaA1 ILE 54 HB -0.11 -0.05 0.07 -0.04 1.89 1.76 2ozaA1 ILE 54 HG12 -0.17 0.01 -0.14 -0.04 1.49 1.15 2ozaA1 ILE 54 HG13 -0.22 -0.05 -0.22 -0.04 1.21 0.69 2ozaA1 ILE 54 HG23 -0.10 0.05 -0.29 -0.04 0.93 0.55 2ozaA1 ILE 54 HD13 -0.10 -0.00 -0.09 -0.04 0.88 0.65 2ozaA1 LYS 55 H -0.33 0.40 0.33 -0.55 8.42 8.26 2ozaA1 LYS 55 HA -0.12 0.07 0.52 -0.75 4.32 4.03 2ozaA1 LYS 55 HB2 -0.70 -0.01 0.07 -0.04 1.87 1.19 2ozaA1 LYS 55 HB3 -0.13 -0.11 0.06 -0.04 1.79 1.56 2ozaA1 LYS 55 HG2 -0.18 0.01 -0.01 -0.04 1.46 1.24 2ozaA1 LYS 55 HG3 -0.33 0.12 0.05 -0.04 1.46 1.26 2ozaA1 LYS 55 HD2 -0.62 -0.05 -0.01 -0.04 1.69 0.98 2ozaA1 LYS 55 HD3 -0.26 -0.05 -0.02 -0.04 1.68 1.31 2ozaA1 LYS 55 HE2 -0.10 -0.02 -0.01 -0.04 2.99 2.82 2ozaA1 LYS 55 HE3 -0.18 0.07 0.01 -0.04 2.99 2.85 2ozaA1 LYS 56 H -0.01 0.08 0.21 -0.55 8.42 8.14 2ozaA1 LYS 56 HA 0.03 0.27 0.87 -0.75 4.32 4.73 2ozaA1 LYS 56 HB2 -0.00 -0.04 0.12 -0.04 1.87 1.90 2ozaA1 LYS 56 HB3 0.01 -0.01 0.12 -0.04 1.79 1.87 2ozaA1 LYS 56 HG2 -0.01 -0.02 0.03 -0.04 1.46 1.42 2ozaA1 LYS 56 HG3 -0.01 0.06 -0.01 -0.04 1.46 1.45 2ozaA1 LYS 56 HD2 -0.04 0.01 -0.02 -0.04 1.69 1.59 2ozaA1 LYS 56 HD3 -0.03 -0.05 0.05 -0.04 1.68 1.61 2ozaA1 LYS 56 HE2 -0.04 -0.03 -0.03 -0.04 2.99 2.85 2ozaA1 LYS 56 HE3 -0.05 0.09 0.04 -0.04 2.99 3.03 2ozaA1 ASN 57 H 0.09 -0.03 -0.03 -0.55 8.53 8.02 2ozaA1 ASN 57 HA 0.05 0.15 0.58 -0.75 4.76 4.79 2ozaA1 ASN 57 HB2 0.06 -0.02 0.14 -0.04 2.88 3.02 2ozaA1 ASN 57 HB3 0.05 0.01 0.08 -0.04 2.79 2.90 2ozaA1 ASN 57 HD21 0.21 -0.03 -0.09 -0.04 7.03 7.08 2ozaA1 ASN 57 HD22 0.09 0.03 -0.05 -0.04 7.74 7.77 2ozaA1 ALA 58 H 0.03 0.11 0.16 -0.55 8.40 8.16 2ozaA1 ALA 58 HA -0.01 0.10 0.58 -0.75 4.34 4.26 2ozaA1 ALA 58 HB3 0.00 0.01 0.15 -0.04 1.41 1.52 2ozaA1 ILE 59 H -0.15 0.19 0.15 -0.55 8.25 7.89 2ozaA1 ILE 59 HA -0.65 0.12 0.35 -0.75 4.18 3.24 2ozaA1 ILE 59 HB -0.60 0.05 0.04 -0.04 1.89 1.34 2ozaA1 ILE 59 HG12 -0.33 0.01 -0.11 -0.04 1.49 1.02 2ozaA1 ILE 59 HG13 -1.22 -0.01 -0.01 -0.04 1.21 -0.07 2ozaA1 ILE 59 HG23 -0.18 0.02 -0.06 -0.04 0.93 0.66 2ozaA1 ILE 59 HD13 -0.43 0.01 -0.14 -0.04 0.88 0.27 2ozaA1 ILE 60 H -0.07 0.03 -0.23 -0.55 8.25 7.43 2ozaA1 ILE 60 HA 0.00 0.36 0.45 -0.75 4.18 4.24 2ozaA1 ILE 60 HB 0.01 0.06 -0.02 -0.04 1.89 1.90 2ozaA1 ILE 60 HG12 -0.02 -0.11 0.03 -0.04 1.49 1.35 2ozaA1 ILE 60 HG13 -0.00 -0.03 -0.11 -0.04 1.21 1.02 2ozaA1 ILE 60 HG23 -0.01 -0.00 0.05 -0.04 0.93 0.93 2ozaA1 ILE 60 HD13 0.01 0.02 -0.03 -0.04 0.88 0.84 2ozaA1 ASP 61 H -0.01 0.14 -0.42 -0.55 8.40 7.57 2ozaA1 ASP 61 HA 0.01 0.04 0.38 -0.75 4.63 4.31 2ozaA1 ASP 61 HB2 0.04 0.13 0.03 -0.04 2.71 2.86 2ozaA1 ASP 61 HB3 0.02 -0.01 -0.01 -0.04 2.70 2.66 2ozaA1 ASP 62 H 0.03 0.27 -0.42 -0.55 8.40 7.72 2ozaA1 ASP 62 HA -0.07 0.12 0.67 -0.75 4.63 4.61 2ozaA1 ASP 62 HB2 0.19 0.08 0.04 -0.04 2.71 2.98 2ozaA1 ASP 62 HB3 -0.25 -0.07 -0.01 -0.04 2.70 2.32 2ozaA1 TYR 63 H 0.16 0.56 0.16 -0.55 8.29 8.62 2ozaA1 TYR 63 HA 0.07 0.19 1.18 -0.75 4.56 5.24 2ozaA1 TYR 63 HB2 -0.06 -0.04 -0.09 -0.04 3.06 2.83 2ozaA1 TYR 63 HB3 0.05 0.04 -0.19 -0.04 2.98 2.83 2ozaA1 TYR 63 HD2 0.01 0.04 -0.34 -0.04 7.15 6.81 2ozaA1 TYR 63 HE2 0.10 0.00 -0.17 -0.04 6.85 6.73 2ozaA1 LYS 64 H 0.18 0.33 0.13 -0.55 8.42 8.50 2ozaA1 LYS 64 HA 0.08 0.08 0.67 -0.75 4.32 4.40 2ozaA1 LYS 64 HB2 0.08 0.04 0.07 -0.04 1.87 2.03 2ozaA1 LYS 64 HB3 0.18 -0.05 0.13 -0.04 1.79 2.00 2ozaA1 LYS 64 HG2 0.06 -0.02 -0.15 -0.04 1.46 1.31 2ozaA1 LYS 64 HG3 0.04 0.02 -0.00 -0.04 1.46 1.48 2ozaA1 LYS 64 HD2 -0.01 0.03 -0.03 -0.04 1.69 1.63 2ozaA1 LYS 64 HD3 -0.03 -0.02 -0.05 -0.04 1.68 1.54 2ozaA1 LYS 64 HE2 -0.01 -0.02 -0.03 -0.04 2.99 2.89 2ozaA1 LYS 64 HE3 0.01 0.00 -0.03 -0.04 2.99 2.93 2ozaA1 VAL 65 H 0.06 0.18 0.07 -0.55 8.24 8.00 2ozaA1 VAL 65 HA 0.05 0.05 0.44 -0.75 4.13 3.92 2ozaA1 VAL 65 HB 0.00 -0.04 0.17 -0.04 2.12 2.20 2ozaA1 VAL 65 HG13 -0.06 0.03 -0.12 -0.04 0.97 0.78 2ozaA1 VAL 65 HG23 -0.04 0.03 -0.11 -0.04 0.95 0.79 2ozaA1 THR 66 H 0.11 0.33 0.32 -0.55 8.28 8.49 2ozaA1 THR 66 HA 0.08 0.00 0.15 -0.75 4.39 3.86 2ozaA1 THR 66 HB 0.11 -0.19 0.12 -0.04 4.32 4.33 2ozaA1 THR 66 HG23 0.33 0.01 -0.07 -0.04 1.22 1.45 2ozaA1 SER 67 H 0.05 0.03 0.19 -0.55 8.46 8.18 2ozaA1 SER 67 HA 0.03 0.19 0.62 -0.75 4.49 4.58 2ozaA1 SER 67 HB2 0.03 0.01 0.05 -0.04 3.95 4.00 2ozaA1 SER 67 HB3 0.03 0.02 0.07 -0.04 3.93 4.02 2ozaA1 GLN 68 H 0.05 -0.07 0.02 -0.55 8.47 7.93 2ozaA1 GLN 68 HA 0.03 0.04 0.42 -0.75 4.36 4.10 2ozaA1 GLN 68 HB2 0.06 -0.05 0.12 -0.04 2.15 2.23 2ozaA1 GLN 68 HB3 0.06 -0.02 -0.03 -0.04 2.02 2.00 2ozaA1 GLN 68 HG2 0.04 -0.02 0.10 -0.04 2.40 2.48 2ozaA1 GLN 68 HG3 0.04 -0.01 0.03 -0.04 2.39 2.41 2ozaA1 GLN 68 HE21 0.03 0.02 -0.04 -0.04 6.97 6.94 2ozaA1 GLN 68 HE22 0.03 -0.02 0.01 -0.04 7.69 7.67 2ozaA1 VAL 69 H 0.03 0.12 0.21 -0.55 8.24 8.04 2ozaA1 VAL 69 HA 0.02 0.23 0.84 -0.75 4.13 4.46 2ozaA1 VAL 69 HB 0.02 0.00 0.09 -0.04 2.12 2.20 2ozaA1 VAL 69 HG13 0.02 0.02 0.01 -0.04 0.97 0.98 2ozaA1 VAL 69 HG23 0.03 -0.02 0.07 -0.04 0.95 0.98 2ozaA1 LEU 70 H 0.01 0.60 0.27 -0.55 8.37 8.71 2ozaA1 LEU 70 HA 0.02 0.13 0.74 -0.75 4.35 4.50 2ozaA1 LEU 70 HB2 0.01 0.02 -0.17 -0.04 1.64 1.46 2ozaA1 LEU 70 HB3 0.02 -0.00 -0.01 -0.04 1.64 1.61 2ozaA1 LEU 70 HG -0.01 -0.02 -0.44 -0.04 1.64 1.14 2ozaA1 LEU 70 HD13 0.00 0.00 -0.12 -0.04 0.93 0.77 2ozaA1 LEU 70 HD23 0.00 -0.01 -0.20 -0.04 0.89 0.64 2ozaA1 GLY 71 H 0.02 0.26 0.08 -0.55 8.43 8.24 2ozaA1 GLY 71 HA2 0.03 0.04 0.21 -0.51 4.01 3.78 2ozaA1 GLY 71 HA3 0.04 0.18 0.81 -0.51 4.01 4.52 2ozaA1 LEU 72 H 0.04 0.27 0.19 -0.55 8.37 8.32 2ozaA1 LEU 72 HA 0.03 0.09 1.02 -0.75 4.35 4.74 2ozaA1 LEU 72 HB2 0.04 -0.02 0.10 -0.04 1.64 1.72 2ozaA1 LEU 72 HB3 0.03 0.13 0.08 -0.04 1.64 1.84 2ozaA1 LEU 72 HG 0.03 -0.11 -0.29 -0.04 1.64 1.23 2ozaA1 LEU 72 HD13 0.03 0.00 -0.02 -0.04 0.93 0.90 2ozaA1 LEU 72 HD23 0.03 0.08 0.05 -0.04 0.89 1.01 2ozaA1 GLY 73 H 0.03 0.68 0.28 -0.55 8.43 8.88 2ozaA1 GLY 73 HA2 0.05 0.21 0.91 -0.51 4.01 4.68 2ozaA1 GLY 73 HA3 0.04 -0.11 0.36 -0.51 4.01 3.80 2ozaA1 ILE 74 H 0.04 0.07 0.14 -0.55 8.25 7.95 2ozaA1 ILE 74 HA 0.03 0.17 0.55 -0.75 4.18 4.18 2ozaA1 ILE 74 HB 0.01 -0.17 0.27 -0.04 1.89 1.96 2ozaA1 ILE 74 HG12 0.04 0.08 0.04 -0.04 1.49 1.61 2ozaA1 ILE 74 HG13 0.05 -0.04 0.08 -0.04 1.21 1.26 2ozaA1 ILE 74 HG23 -0.01 0.03 -0.05 -0.04 0.93 0.87 2ozaA1 ILE 74 HD13 0.00 0.01 0.03 -0.04 0.88 0.88 2ozaA1 ASN 75 H 0.01 0.07 0.14 -0.55 8.53 8.21 2ozaA1 ASN 75 HA 0.02 0.15 0.43 -0.75 4.76 4.61 2ozaA1 ASN 75 HB2 0.00 -0.04 0.20 -0.04 2.88 3.00 2ozaA1 ASN 75 HB3 0.01 0.04 0.07 -0.04 2.79 2.87 2ozaA1 ASN 75 HD21 -0.00 0.05 0.07 -0.04 7.03 7.11 2ozaA1 ASN 75 HD22 -0.00 -0.10 0.15 -0.04 7.74 7.74 2ozaA1 GLY 76 H 0.02 -0.05 -0.48 -0.55 8.43 7.37 2ozaA1 GLY 76 HA2 0.02 0.21 0.79 -0.51 4.01 4.53 2ozaA1 GLY 76 HA3 0.01 -0.05 0.20 -0.51 4.01 3.66 2ozaA1 LYS 77 H 0.02 0.22 0.14 -0.55 8.42 8.25 2ozaA1 LYS 77 HA 0.02 0.13 0.88 -0.75 4.32 4.60 2ozaA1 LYS 77 HB2 0.03 0.08 0.09 -0.04 1.87 2.03 2ozaA1 LYS 77 HB3 0.04 0.02 0.13 -0.04 1.79 1.93 2ozaA1 LYS 77 HG2 0.05 -0.03 0.14 -0.04 1.46 1.58 2ozaA1 LYS 77 HG3 0.00 -0.00 0.17 -0.04 1.46 1.58 2ozaA1 LYS 77 HD2 0.04 0.04 -0.00 -0.04 1.69 1.73 2ozaA1 LYS 77 HD3 0.07 -0.00 0.02 -0.04 1.68 1.73 2ozaA1 LYS 77 HE2 0.17 -0.03 0.01 -0.04 2.99 3.09 2ozaA1 LYS 77 HE3 0.02 0.01 -0.01 -0.04 2.99 2.98 2ozaA1 VAL 78 H 0.02 0.21 -0.06 -0.55 8.24 7.86 2ozaA1 VAL 78 HA -0.02 0.29 0.65 -0.75 4.13 4.30 2ozaA1 VAL 78 HB 0.00 0.05 -0.16 -0.04 2.12 1.98 2ozaA1 VAL 78 HG13 0.02 -0.02 -0.17 -0.04 0.97 0.76 2ozaA1 VAL 78 HG23 0.02 -0.03 -0.23 -0.04 0.95 0.67 2ozaA1 LEU 79 H -0.04 0.42 0.36 -0.55 8.37 8.56 2ozaA1 LEU 79 HA -0.00 0.13 1.00 -0.75 4.35 4.72 2ozaA1 LEU 79 HB2 -0.04 -0.07 -0.04 -0.04 1.64 1.45 2ozaA1 LEU 79 HB3 -0.01 0.27 0.05 -0.04 1.64 1.91 2ozaA1 LEU 79 HG -0.02 -0.00 -0.27 -0.04 1.64 1.30 2ozaA1 LEU 79 HD13 -0.10 -0.03 0.11 -0.04 0.93 0.88 2ozaA1 LEU 79 HD23 -0.05 -0.01 -0.03 -0.04 0.89 0.76 2ozaA1 GLN 80 H 0.00 0.44 0.12 -0.55 8.47 8.48 2ozaA1 GLN 80 HA -0.06 0.14 0.80 -0.75 4.36 4.49 2ozaA1 GLN 80 HB2 -0.02 -0.01 -0.01 -0.04 2.15 2.08 2ozaA1 GLN 80 HB3 0.03 -0.04 0.02 -0.04 2.02 1.99 2ozaA1 GLN 80 HG2 -0.07 -0.08 -0.23 -0.04 2.40 1.98 2ozaA1 GLN 80 HG3 -0.27 0.14 0.14 -0.04 2.39 2.36 2ozaA1 GLN 80 HE21 0.15 -0.00 -0.05 -0.04 6.97 7.03 2ozaA1 GLN 80 HE22 0.26 -0.06 -0.08 -0.04 7.69 7.77 2ozaA1 ILE 81 H -0.17 0.63 0.30 -0.55 8.25 8.46 2ozaA1 ILE 81 HA 0.08 0.11 0.86 -0.75 4.18 4.47 2ozaA1 ILE 81 HB 0.09 0.02 -0.10 -0.04 1.89 1.86 2ozaA1 ILE 81 HG12 -0.01 0.00 -0.48 -0.04 1.49 0.96 2ozaA1 ILE 81 HG13 0.16 -0.03 -0.57 -0.04 1.21 0.74 2ozaA1 ILE 81 HG23 -0.05 0.00 -0.38 -0.04 0.93 0.46 2ozaA1 ILE 81 HD13 -0.33 -0.01 -0.32 -0.04 0.88 0.18 2ozaA1 PHE 82 H 0.32 0.51 0.22 -0.55 8.34 8.83 2ozaA1 PHE 82 HA 0.17 0.31 0.95 -0.75 4.62 5.29 2ozaA1 PHE 82 HB2 0.07 -0.08 0.04 -0.04 3.15 3.14 2ozaA1 PHE 82 HB3 0.06 0.11 -0.05 -0.04 3.06 3.13 2ozaA1 PHE 82 HD2 0.02 0.10 -0.22 -0.04 7.28 7.14 2ozaA1 PHE 82 HE2 -0.00 -0.02 -0.10 -0.04 7.38 7.21 2ozaA1 PHE 82 HZ 0.00 -0.02 -0.06 -0.04 7.32 7.19 2ozaA1 ASN 83 H 0.34 0.53 0.13 -0.55 8.53 8.99 2ozaA1 ASN 83 HA -0.27 0.17 0.73 -0.75 4.76 4.63 2ozaA1 ASN 83 HB2 0.28 0.09 0.04 -0.04 2.88 3.24 2ozaA1 ASN 83 HB3 0.19 -0.15 0.13 -0.04 2.79 2.92 2ozaA1 ASN 83 HD21 -0.11 0.03 -0.00 -0.04 7.03 6.90 2ozaA1 ASN 83 HD22 -0.11 0.06 -0.04 -0.04 7.74 7.61 2ozaA1 LYS 84 H -0.14 0.87 0.42 -0.55 8.42 9.02 2ozaA1 LYS 84 HA 0.02 0.05 0.34 -0.75 4.32 3.98 2ozaA1 LYS 84 HB2 -0.05 -0.02 0.23 -0.04 1.87 1.98 2ozaA1 LYS 84 HB3 -0.01 -0.01 -0.00 -0.04 1.79 1.73 2ozaA1 LYS 84 HG2 0.02 -0.13 -0.14 -0.04 1.46 1.18 2ozaA1 LYS 84 HG3 -0.02 0.09 -0.68 -0.04 1.46 0.81 2ozaA1 LYS 84 HD2 -0.00 0.35 -0.19 -0.04 1.69 1.80 2ozaA1 LYS 84 HD3 -0.00 -0.07 -0.04 -0.04 1.68 1.53 2ozaA1 LYS 84 HE2 0.01 -0.06 -0.07 -0.04 2.99 2.83 2ozaA1 LYS 84 HE3 0.02 -0.10 -0.12 -0.04 2.99 2.75 2ozaA1 ARG 85 H -0.05 0.10 0.03 -0.55 8.46 7.99 2ozaA1 ARG 85 HA -0.01 0.10 0.32 -0.75 4.34 4.00 2ozaA1 ARG 85 HB2 -0.02 -0.05 0.07 -0.04 1.90 1.86 2ozaA1 ARG 85 HB3 -0.01 0.04 0.03 -0.04 1.80 1.83 2ozaA1 ARG 85 HG2 -0.02 0.04 0.05 -0.04 1.67 1.70 2ozaA1 ARG 85 HG3 -0.05 -0.04 0.13 -0.04 1.67 1.68 2ozaA1 ARG 85 HD2 -0.04 -0.02 0.03 -0.04 3.22 3.16 2ozaA1 ARG 85 HD3 -0.01 0.02 0.01 -0.04 3.22 3.20 2ozaA1 THR 86 H 0.02 -0.06 -0.26 -0.55 8.28 7.43 2ozaA1 THR 86 HA 0.03 0.25 0.62 -0.75 4.39 4.54 2ozaA1 THR 86 HB 0.06 0.05 0.06 -0.04 4.32 4.45 2ozaA1 THR 86 HG23 0.04 0.00 -0.08 -0.04 1.22 1.14 2ozaA1 GLN 87 H 0.07 0.30 -0.20 -0.55 8.47 8.10 2ozaA1 GLN 87 HA 0.16 0.18 0.35 -0.75 4.36 4.30 2ozaA1 GLN 87 HB2 0.04 0.10 -0.04 -0.04 2.15 2.21 2ozaA1 GLN 87 HB3 0.04 -0.08 0.13 -0.04 2.02 2.07 2ozaA1 GLN 87 HG2 0.00 -0.05 -0.04 -0.04 2.40 2.27 2ozaA1 GLN 87 HG3 0.03 0.11 -0.35 -0.04 2.39 2.14 2ozaA1 GLN 87 HE21 0.01 -0.09 -0.04 -0.04 6.97 6.81 2ozaA1 GLN 87 HE22 0.01 0.31 -0.20 -0.04 7.69 7.77 2ozaA1 GLU 88 H 0.11 -0.11 -0.53 -0.55 8.60 7.52 2ozaA1 GLU 88 HA -0.05 0.13 0.68 -0.75 4.29 4.31 2ozaA1 GLU 88 HB2 0.11 -0.12 0.00 -0.04 2.09 2.04 2ozaA1 GLU 88 HB3 -0.59 0.08 -0.07 -0.04 1.99 1.37 2ozaA1 GLU 88 HG2 -0.06 0.04 0.07 -0.04 2.34 2.35 2ozaA1 GLU 88 HG3 0.04 0.03 -0.01 -0.04 2.34 2.36 2ozaA1 LYS 89 H -0.32 0.14 0.19 -0.55 8.42 7.88 2ozaA1 LYS 89 HA -0.65 0.24 0.92 -0.75 4.32 4.08 2ozaA1 LYS 89 HB2 -0.19 0.03 0.07 -0.04 1.87 1.74 2ozaA1 LYS 89 HB3 -0.22 -0.05 0.19 -0.04 1.79 1.67 2ozaA1 LYS 89 HG2 -0.37 0.14 -0.06 -0.04 1.46 1.13 2ozaA1 LYS 89 HG3 -0.39 -0.02 0.02 -0.04 1.46 1.03 2ozaA1 LYS 89 HD2 -0.10 -0.01 0.01 -0.04 1.69 1.55 2ozaA1 LYS 89 HD3 -0.15 -0.05 -0.09 -0.04 1.68 1.35 2ozaA1 LYS 89 HE2 -0.07 0.00 -0.08 -0.04 2.99 2.80 2ozaA1 LYS 89 HE3 -0.04 0.00 -0.03 -0.04 2.99 2.88 2ozaA1 PHE 90 H -0.24 0.68 0.29 -0.55 8.34 8.51 2ozaA1 PHE 90 HA -0.07 0.15 0.73 -0.75 4.62 4.68 2ozaA1 PHE 90 HB2 -0.04 -0.06 -0.19 -0.04 3.15 2.81 2ozaA1 PHE 90 HB3 -0.05 -0.02 0.04 -0.04 3.06 2.99 2ozaA1 PHE 90 HD2 0.10 -0.01 -0.28 -0.04 7.28 7.06 2ozaA1 PHE 90 HE2 0.08 -0.04 -0.13 -0.04 7.38 7.25 2ozaA1 PHE 90 HZ 0.07 0.01 -0.11 -0.04 7.32 7.25 2ozaA1 ALA 91 H 0.14 0.48 0.25 -0.55 8.40 8.71 2ozaA1 ALA 91 HA -0.02 0.19 0.95 -0.75 4.34 4.71 2ozaA1 ALA 91 HB3 0.02 0.01 -0.10 -0.04 1.41 1.30 2ozaA1 LEU 92 H -0.04 0.74 0.26 -0.55 8.37 8.78 2ozaA1 LEU 92 HA -0.08 0.33 1.10 -0.75 4.35 4.94 2ozaA1 LEU 92 HB2 -0.15 -0.06 -0.15 -0.04 1.64 1.25 2ozaA1 LEU 92 HB3 -0.09 0.04 0.08 -0.04 1.64 1.63 2ozaA1 LEU 92 HG -0.11 0.00 -0.44 -0.04 1.64 1.05 2ozaA1 LEU 92 HD13 -0.14 0.03 -0.24 -0.04 0.93 0.53 2ozaA1 LEU 92 HD23 -0.17 -0.01 -0.14 -0.04 0.89 0.53 2ozaA1 LYS 93 H -0.05 0.82 0.36 -0.55 8.42 9.00 2ozaA1 LYS 93 HA -0.02 0.08 0.74 -0.75 4.32 4.37 2ozaA1 LYS 93 HB2 0.01 0.01 -0.13 -0.04 1.87 1.71 2ozaA1 LYS 93 HB3 -0.01 0.08 0.06 -0.04 1.79 1.89 2ozaA1 LYS 93 HG2 0.01 0.01 -0.34 -0.04 1.46 1.10 2ozaA1 LYS 93 HG3 0.02 -0.04 -0.08 -0.04 1.46 1.32 2ozaA1 LYS 93 HD2 0.06 0.00 -0.09 -0.04 1.69 1.61 2ozaA1 LYS 93 HD3 0.06 0.04 -0.11 -0.04 1.68 1.62 2ozaA1 LYS 93 HE2 0.06 0.03 -0.12 -0.04 2.99 2.91 2ozaA1 LYS 93 HE3 0.05 -0.06 -0.05 -0.04 2.99 2.89 2ozaA1 MET 94 H -0.02 0.12 0.07 -0.55 8.47 8.09 2ozaA1 MET 94 HA -0.03 0.33 1.05 -0.75 4.52 5.11 2ozaA1 MET 94 HB2 -0.01 -0.03 0.01 -0.04 2.15 2.08 2ozaA1 MET 94 HB3 -0.01 0.07 -0.06 -0.04 2.03 1.98 2ozaA1 MET 94 HG2 -0.12 -0.02 -0.21 -0.04 2.63 2.24 2ozaA1 MET 94 HG3 -0.10 0.01 -0.16 -0.04 2.56 2.27 2ozaA1 MET 94 HE3 -0.41 0.00 -0.06 -0.04 2.10 1.60 2ozaA1 LEU 95 H -0.00 0.61 0.29 -0.55 8.37 8.72 2ozaA1 LEU 95 HA 0.01 0.10 0.60 -0.75 4.35 4.30 2ozaA1 LEU 95 HB2 -0.00 0.00 0.00 -0.04 1.64 1.60 2ozaA1 LEU 95 HB3 0.00 -0.00 0.11 -0.04 1.64 1.70 2ozaA1 LEU 95 HG 0.00 -0.02 -0.49 -0.04 1.64 1.09 2ozaA1 LEU 95 HD13 0.01 0.00 -0.07 -0.04 0.93 0.83 2ozaA1 LEU 95 HD23 0.01 0.04 0.05 -0.04 0.89 0.95 2ozaA1 GLN 96 H 0.01 0.12 0.14 -0.55 8.47 8.19 2ozaA1 GLN 96 HA 0.02 0.25 0.73 -0.75 4.36 4.60 2ozaA1 GLN 96 HB2 0.02 0.11 0.11 -0.04 2.15 2.34 2ozaA1 GLN 96 HB3 0.01 -0.02 0.16 -0.04 2.02 2.13 2ozaA1 GLN 96 HG2 0.00 -0.02 -0.62 -0.04 2.40 1.72 2ozaA1 GLN 96 HG3 0.01 0.05 -0.08 -0.04 2.39 2.33 2ozaA1 GLN 96 HE21 -0.01 0.01 -0.01 -0.04 6.97 6.93 2ozaA1 GLN 96 HE22 -0.00 0.00 -0.10 -0.04 7.69 7.55 2ozaA1 ASP 97 H 0.01 0.34 -0.07 -0.55 8.40 8.14 2ozaA1 ASP 97 HA -0.00 0.07 0.31 -0.75 4.63 4.25 2ozaA1 ASP 97 HB2 0.00 -0.04 -0.22 -0.04 2.71 2.40 2ozaA1 ASP 97 HB3 0.01 -0.03 -0.05 -0.04 2.70 2.59 2ozaA1 CYS 98 H -0.00 0.24 0.29 -0.55 8.50 8.48 2ozaA1 CYS 98 HA -0.00 0.23 0.65 -0.75 4.58 4.70 2ozaA1 CYS 98 HB2 -0.00 0.04 0.18 -0.04 2.97 3.14 2ozaA1 CYS 98 HB3 -0.00 0.09 -0.06 -0.04 2.97 2.95 2ozaA1 PRO 99 HA -0.00 0.10 0.48 -0.51 4.44 4.51 2ozaA1 PRO 99 HB2 0.00 0.04 0.06 -0.04 2.28 2.34 2ozaA1 PRO 99 HB3 -0.00 0.08 0.08 -0.04 2.02 2.14 2ozaA1 PRO 99 HG2 -0.00 0.09 0.08 -0.04 2.03 2.15 2ozaA1 PRO 99 HG3 -0.00 0.08 0.04 -0.04 2.03 2.10 2ozaA1 PRO 99 HD2 -0.00 0.12 0.22 -0.04 3.68 3.98 2ozaA1 PRO 99 HD3 -0.00 0.18 0.19 -0.04 3.65 3.97 2ozaA1 LYS 100 H -0.00 0.15 -0.05 -0.55 8.42 7.96 2ozaA1 LYS 100 HA -0.00 0.14 0.58 -0.75 4.32 4.29 2ozaA1 LYS 100 HB2 -0.01 -0.07 0.12 -0.04 1.87 1.86 2ozaA1 LYS 100 HB3 -0.02 0.08 -0.01 -0.04 1.79 1.79 2ozaA1 LYS 100 HG2 -0.01 0.09 0.07 -0.04 1.46 1.57 2ozaA1 LYS 100 HG3 -0.00 -0.03 0.07 -0.04 1.46 1.46 2ozaA1 LYS 100 HD2 -0.01 -0.05 0.04 -0.04 1.69 1.64 2ozaA1 LYS 100 HD3 -0.02 0.05 0.04 -0.04 1.68 1.70 2ozaA1 LYS 100 HE2 0.01 0.03 0.03 -0.04 2.99 3.01 2ozaA1 LYS 100 HE3 0.00 -0.03 0.03 -0.04 2.99 2.95 2ozaA1 ALA 101 H -0.01 0.07 -0.21 -0.55 8.40 7.71 2ozaA1 ALA 101 HA -0.00 0.04 0.31 -0.75 4.34 3.94 2ozaA1 ALA 101 HB3 -0.00 -0.01 0.11 -0.04 1.41 1.47 2ozaA1 ARG 102 H -0.00 0.29 -0.36 -0.55 8.46 7.84 2ozaA1 ARG 102 HA -0.01 0.07 0.48 -0.75 4.34 4.12 2ozaA1 ARG 102 HB2 -0.01 0.05 0.08 -0.04 1.90 1.98 2ozaA1 ARG 102 HB3 -0.01 0.00 0.02 -0.04 1.80 1.77 2ozaA1 ARG 102 HG2 -0.02 -0.02 -0.08 -0.04 1.67 1.51 2ozaA1 ARG 102 HG3 -0.01 0.09 -0.11 -0.04 1.67 1.60 2ozaA1 ARG 102 HD2 -0.01 -0.02 -0.14 -0.04 3.22 3.01 2ozaA1 ARG 102 HD3 -0.02 0.02 -0.06 -0.04 3.22 3.11 2ozaA1 ARG 103 H 0.01 0.44 -0.21 -0.55 8.46 8.15 2ozaA1 ARG 103 HA 0.03 0.07 0.67 -0.75 4.34 4.36 2ozaA1 ARG 103 HB2 0.01 0.17 0.23 -0.04 1.90 2.27 2ozaA1 ARG 103 HB3 0.03 0.08 0.08 -0.04 1.80 1.94 2ozaA1 ARG 103 HG2 0.02 0.02 0.03 -0.04 1.67 1.70 2ozaA1 ARG 103 HG3 0.03 -0.06 0.09 -0.04 1.67 1.69 2ozaA1 ARG 103 HD2 0.01 -0.01 0.02 -0.04 3.22 3.19 2ozaA1 ARG 103 HD3 0.01 -0.02 -0.00 -0.04 3.22 3.16 2ozaA1 GLU 104 H 0.04 0.42 0.03 -0.55 8.60 8.54 2ozaA1 GLU 104 HA 0.14 0.12 0.40 -0.75 4.29 4.20 2ozaA1 GLU 104 HB2 0.05 0.15 -0.02 -0.04 2.09 2.23 2ozaA1 GLU 104 HB3 0.04 0.04 0.02 -0.04 1.99 2.06 2ozaA1 GLU 104 HG2 0.12 0.03 -0.40 -0.04 2.34 2.05 2ozaA1 GLU 104 HG3 0.21 -0.10 -0.25 -0.04 2.34 2.16 2ozaA1 VAL 105 H 0.03 0.33 -0.54 -0.55 8.24 7.51 2ozaA1 VAL 105 HA 0.01 -0.00 0.26 -0.75 4.13 3.65 2ozaA1 VAL 105 HB -0.01 0.11 0.09 -0.04 2.12 2.27 2ozaA1 VAL 105 HG13 -0.07 -0.02 -0.22 -0.04 0.97 0.62 2ozaA1 VAL 105 HG23 -0.02 0.08 -0.01 -0.04 0.95 0.96 2ozaA1 GLU 106 H 0.04 0.39 -0.24 -0.55 8.60 8.25 2ozaA1 GLU 106 HA 0.10 -0.00 0.33 -0.75 4.29 3.96 2ozaA1 GLU 106 HB2 0.04 0.24 0.30 -0.04 2.09 2.63 2ozaA1 GLU 106 HB3 0.07 0.00 0.13 -0.04 1.99 2.16 2ozaA1 GLU 106 HG2 0.03 0.01 0.05 -0.04 2.34 2.39 2ozaA1 GLU 106 HG3 0.07 -0.01 0.02 -0.04 2.34 2.38 2ozaA1 LEU 107 H 0.10 0.72 -0.05 -0.55 8.37 8.59 2ozaA1 LEU 107 HA 0.11 0.02 0.20 -0.75 4.35 3.93 2ozaA1 LEU 107 HB2 0.19 0.06 -0.00 -0.04 1.64 1.85 2ozaA1 LEU 107 HB3 0.21 -0.04 -0.10 -0.04 1.64 1.67 2ozaA1 LEU 107 HG 0.09 0.15 0.03 -0.04 1.64 1.86 2ozaA1 LEU 107 HD13 0.11 -0.02 -0.27 -0.04 0.93 0.70 2ozaA1 LEU 107 HD23 0.09 -0.02 -0.07 -0.04 0.89 0.85 2ozaA1 HIS 108 H 0.04 0.53 -0.33 -0.55 8.41 8.10 2ozaA1 HIS 108 HA -0.94 0.02 0.32 -0.75 4.63 3.27 2ozaA1 HIS 108 HB2 -0.63 -0.02 0.05 -0.04 3.26 2.63 2ozaA1 HIS 108 HB3 -0.21 0.08 -0.01 -0.04 3.20 3.01 2ozaA1 HIS 108 HD2 -0.41 -0.01 0.09 -0.04 6.97 6.60 2ozaA1 HIS 108 HE1 0.07 -0.14 -0.06 -0.04 7.75 7.57 2ozaA1 TRP 109 H 0.20 0.46 -0.37 -0.55 7.97 7.71 2ozaA1 TRP 109 HA -0.11 -0.01 0.55 -0.75 4.62 4.29 2ozaA1 TRP 109 HB2 -0.07 0.03 0.14 -0.04 3.23 3.29 2ozaA1 TRP 109 HB3 -0.04 0.25 0.28 -0.04 3.23 3.69 2ozaA1 TRP 109 HD1 -0.02 -0.02 -0.06 -0.04 7.22 7.09 2ozaA1 TRP 109 HE1 -0.02 0.03 -0.26 -0.04 10.20 9.91 2ozaA1 TRP 109 HE3 -0.12 -0.03 -0.00 -0.04 7.59 7.40 2ozaA1 TRP 109 HZ2 -0.03 -0.00 -0.05 -0.04 7.44 7.31 2ozaA1 TRP 109 HZ3 -0.09 0.26 -0.10 -0.04 7.13 7.16 2ozaA1 TRP 109 HH2 -0.05 0.01 -0.02 -0.04 7.19 7.09 2ozaA1 ARG 110 H 0.11 0.47 -0.00 -0.55 8.46 8.49 2ozaA1 ARG 110 HA -0.25 -0.02 0.24 -0.75 4.34 3.56 2ozaA1 ARG 110 HB2 0.07 0.09 0.00 -0.04 1.90 2.03 2ozaA1 ARG 110 HB3 0.04 -0.04 0.07 -0.04 1.80 1.83 2ozaA1 ARG 110 HG2 0.15 -0.01 0.10 -0.04 1.67 1.87 2ozaA1 ARG 110 HG3 0.11 -0.02 -0.01 -0.04 1.67 1.70 2ozaA1 ARG 110 HD2 0.08 -0.00 0.01 -0.04 3.22 3.26 2ozaA1 ARG 110 HD3 0.12 -0.04 -0.01 -0.04 3.22 3.26 2ozaA1 ALA 111 H -0.07 0.35 -0.54 -0.55 8.40 7.59 2ozaA1 ALA 111 HA -0.09 0.01 0.39 -0.75 4.34 3.90 2ozaA1 ALA 111 HB3 -0.03 0.01 0.02 -0.04 1.41 1.37 2ozaA1 SER 112 H -0.28 0.83 -0.27 -0.55 8.46 8.20 2ozaA1 SER 112 HA -0.11 0.08 0.12 -0.75 4.49 3.83 2ozaA1 SER 112 HB2 -0.56 0.12 0.18 -0.04 3.95 3.65 2ozaA1 SER 112 HB3 -0.22 -0.10 0.15 -0.04 3.93 3.71 2ozaA1 GLN 113 H -0.30 0.24 -0.41 -0.55 8.47 7.46 2ozaA1 GLN 113 HA -0.17 0.05 0.47 -0.75 4.36 3.96 2ozaA1 GLN 113 HB2 -0.07 0.13 0.05 -0.04 2.15 2.22 2ozaA1 GLN 113 HB3 0.00 -0.06 0.04 -0.04 2.02 1.96 2ozaA1 GLN 113 HG2 -0.12 -0.04 0.02 -0.04 2.40 2.22 2ozaA1 GLN 113 HG3 -0.31 -0.00 -0.05 -0.04 2.39 1.99 2ozaA1 GLN 113 HE21 -0.13 -0.05 -0.02 -0.04 6.97 6.74 2ozaA1 GLN 113 HE22 -0.41 0.03 -0.04 -0.04 7.69 7.22 2ozaA1 CYS 114 H -0.47 0.48 -0.32 -0.55 8.50 7.64 2ozaA1 CYS 114 HA -0.20 0.12 0.75 -0.75 4.58 4.49 2ozaA1 CYS 114 HB2 -1.85 -0.02 0.07 -0.04 2.97 1.12 2ozaA1 CYS 114 HB3 -0.47 0.16 0.14 -0.04 2.97 2.76 2ozaA1 PRO 115 HA -0.12 0.11 0.34 -0.51 4.44 4.26 2ozaA1 PRO 115 HB2 -0.21 -0.00 0.01 -0.04 2.28 2.04 2ozaA1 PRO 115 HB3 -0.15 0.00 0.10 -0.04 2.02 1.93 2ozaA1 PRO 115 HG2 0.04 -0.00 0.09 -0.04 2.03 2.12 2ozaA1 PRO 115 HG3 -0.02 0.07 0.11 -0.04 2.03 2.15 2ozaA1 PRO 115 HD2 0.07 0.04 0.19 -0.04 3.68 3.94 2ozaA1 PRO 115 HD3 0.01 0.29 0.34 -0.04 3.65 4.25 2ozaA1 HIS 116 H 0.03 0.05 -0.36 -0.55 8.41 7.58 2ozaA1 HIS 116 HA 0.00 0.29 0.82 -0.75 4.63 4.98 2ozaA1 HIS 116 HB2 0.00 -0.08 0.04 -0.04 3.26 3.19 2ozaA1 HIS 116 HB3 -0.01 -0.01 0.19 -0.04 3.20 3.33 2ozaA1 HIS 116 HD2 0.03 -0.04 -0.03 -0.04 6.97 6.89 2ozaA1 HIS 116 HE1 0.03 -0.07 0.03 -0.04 7.75 7.70 2ozaA1 ILE 117 H -0.02 0.51 -0.24 -0.55 8.25 7.95 2ozaA1 ILE 117 HA 0.09 0.03 0.95 -0.75 4.18 4.50 2ozaA1 ILE 117 HB -0.06 0.21 0.06 -0.04 1.89 2.05 2ozaA1 ILE 117 HG12 0.12 -0.01 0.01 -0.04 1.49 1.56 2ozaA1 ILE 117 HG13 0.03 -0.18 -0.25 -0.04 1.21 0.77 2ozaA1 ILE 117 HG23 0.08 0.02 -0.20 -0.04 0.93 0.79 2ozaA1 ILE 117 HD13 0.09 0.02 0.01 -0.04 0.88 0.96 2ozaA1 VAL 118 H 0.15 0.50 0.12 -0.55 8.24 8.47 2ozaA1 VAL 118 HA 0.08 0.03 0.21 -0.75 4.13 3.70 2ozaA1 VAL 118 HB 0.14 -0.02 -0.15 -0.04 2.12 2.06 2ozaA1 VAL 118 HG13 0.31 -0.02 -0.17 -0.04 0.97 1.05 2ozaA1 VAL 118 HG23 0.10 -0.00 -0.15 -0.04 0.95 0.85 2ozaA1 ARG 119 H 0.06 0.05 0.16 -0.55 8.46 8.18 2ozaA1 ARG 119 HA -0.01 0.18 0.46 -0.75 4.34 4.22 2ozaA1 ARG 119 HB2 0.00 0.11 0.13 -0.04 1.90 2.10 2ozaA1 ARG 119 HB3 0.04 -0.19 0.10 -0.04 1.80 1.71 2ozaA1 ARG 119 HG2 -0.01 0.10 -0.14 -0.04 1.67 1.57 2ozaA1 ARG 119 HG3 -0.08 0.23 0.07 -0.04 1.67 1.85 2ozaA1 ARG 119 HD2 -0.04 0.09 -0.02 -0.04 3.22 3.21 2ozaA1 ARG 119 HD3 0.02 -0.10 -0.01 -0.04 3.22 3.08 2ozaA1 ILE 120 H -0.08 0.26 0.21 -0.55 8.25 8.09 2ozaA1 ILE 120 HA -0.07 0.10 0.86 -0.75 4.18 4.32 2ozaA1 ILE 120 HB 0.13 0.06 0.11 -0.04 1.89 2.15 2ozaA1 ILE 120 HG12 -0.31 -0.05 -0.09 -0.04 1.49 1.00 2ozaA1 ILE 120 HG13 -0.74 0.07 -0.10 -0.04 1.21 0.39 2ozaA1 ILE 120 HG23 0.03 -0.01 -0.25 -0.04 0.93 0.67 2ozaA1 ILE 120 HD13 -0.44 0.00 -0.25 -0.04 0.88 0.15 2ozaA1 VAL 121 H -0.05 0.68 0.34 -0.55 8.24 8.66 2ozaA1 VAL 121 HA 0.05 0.18 0.66 -0.75 4.13 4.27 2ozaA1 VAL 121 HB -0.29 -0.05 -0.08 -0.04 2.12 1.66 2ozaA1 VAL 121 HG13 -0.27 -0.02 -0.19 -0.04 0.97 0.46 2ozaA1 VAL 121 HG23 -0.09 0.01 -0.15 -0.04 0.95 0.67 2ozaA1 ASP 122 H -0.11 0.28 0.26 -0.55 8.40 8.28 2ozaA1 ASP 122 HA -0.21 0.20 0.62 -0.75 4.63 4.49 2ozaA1 ASP 122 HB2 -0.03 -0.09 -0.10 -0.04 2.71 2.45 2ozaA1 ASP 122 HB3 -0.27 -0.03 -0.10 -0.04 2.70 2.26 2ozaA1 VAL 123 H -0.37 0.25 0.14 -0.55 8.24 7.71 2ozaA1 VAL 123 HA -0.11 0.26 1.02 -0.75 4.13 4.55 2ozaA1 VAL 123 HB -0.29 -0.02 0.05 -0.04 2.12 1.82 2ozaA1 VAL 123 HG13 -0.12 0.01 -0.19 -0.04 0.97 0.63 2ozaA1 VAL 123 HG23 -0.18 -0.01 -0.25 -0.04 0.95 0.47 2ozaA1 TYR 124 H 0.11 0.55 0.28 -0.55 8.29 8.68 2ozaA1 TYR 124 HA -0.07 0.23 0.91 -0.75 4.56 4.88 2ozaA1 TYR 124 HB2 -0.08 -0.09 0.06 -0.04 3.06 2.92 2ozaA1 TYR 124 HB3 -0.04 0.11 -0.08 -0.04 2.98 2.93 2ozaA1 TYR 124 HD2 -0.08 0.12 -0.20 -0.04 7.15 6.95 2ozaA1 TYR 124 HE2 -0.03 -0.01 -0.16 -0.04 6.85 6.61 2ozaA1 GLU 125 H 0.04 0.62 0.22 -0.55 8.60 8.94 2ozaA1 GLU 125 HA 0.03 0.33 0.95 -0.75 4.29 4.85 2ozaA1 GLU 125 HB2 0.01 -0.03 0.05 -0.04 2.09 2.07 2ozaA1 GLU 125 HB3 -0.01 -0.03 0.04 -0.04 1.99 1.96 2ozaA1 GLU 125 HG2 -0.01 0.14 0.04 -0.04 2.34 2.46 2ozaA1 GLU 125 HG3 0.01 -0.02 0.18 -0.04 2.34 2.46 2ozaA1 ASN 126 H 0.03 0.33 0.13 -0.55 8.53 8.48 2ozaA1 ASN 126 HA 0.03 0.22 0.84 -0.75 4.76 5.10 2ozaA1 ASN 126 HB2 0.01 -0.02 -0.07 -0.04 2.88 2.75 2ozaA1 ASN 126 HB3 0.02 0.03 0.08 -0.04 2.79 2.88 2ozaA1 ASN 126 HD21 0.10 0.71 -0.26 -0.04 7.03 7.54 2ozaA1 ASN 126 HD22 0.06 0.30 -0.20 -0.04 7.74 7.86 2ozaA1 LEU 127 H 0.04 0.14 0.13 -0.55 8.37 8.12 2ozaA1 LEU 127 HA 0.05 0.30 0.65 -0.75 4.35 4.59 2ozaA1 LEU 127 HB2 0.03 -0.03 0.08 -0.04 1.64 1.68 2ozaA1 LEU 127 HB3 0.02 -0.08 -0.14 -0.04 1.64 1.39 2ozaA1 LEU 127 HG 0.02 -0.01 -0.05 -0.04 1.64 1.56 2ozaA1 LEU 127 HD13 0.01 0.01 -0.05 -0.04 0.93 0.86 2ozaA1 LEU 127 HD23 0.02 0.03 -0.27 -0.04 0.89 0.63 2ozaA1 TYR 128 H 0.12 0.73 0.05 -0.55 8.29 8.64 2ozaA1 TYR 128 HA -0.01 0.12 0.89 -0.75 4.56 4.81 2ozaA1 TYR 128 HB2 -0.01 -0.01 -0.11 -0.04 3.06 2.88 2ozaA1 TYR 128 HB3 -0.01 0.08 0.08 -0.04 2.98 3.09 2ozaA1 TYR 128 HD2 -0.01 -0.01 -0.01 -0.04 7.15 7.08 2ozaA1 TYR 128 HE2 -0.00 0.01 -0.03 -0.04 6.85 6.78 2ozaA1 ALA 129 H -0.07 0.16 0.03 -0.55 8.40 7.97 2ozaA1 ALA 129 HA -0.15 0.03 0.32 -0.75 4.34 3.79 2ozaA1 ALA 129 HB3 -0.44 0.08 0.12 -0.04 1.41 1.13 2ozaA1 GLY 130 H -0.03 0.04 -0.23 -0.55 8.43 7.67 2ozaA1 GLY 130 HA2 -0.01 -0.02 0.21 -0.51 4.01 3.67 2ozaA1 GLY 130 HA3 -0.03 0.08 0.15 -0.51 4.01 3.69 2ozaA1 ARG 131 H -0.02 0.26 -0.72 -0.55 8.46 7.43 2ozaA1 ARG 131 HA 0.00 0.15 0.99 -0.75 4.34 4.73 2ozaA1 ARG 131 HB2 0.00 0.11 0.09 -0.04 1.90 2.06 2ozaA1 ARG 131 HB3 0.02 0.07 0.02 -0.04 1.80 1.87 2ozaA1 ARG 131 HG2 -0.01 -0.04 0.05 -0.04 1.67 1.64 2ozaA1 ARG 131 HG3 -0.03 0.06 -0.16 -0.04 1.67 1.50 2ozaA1 ARG 131 HD2 0.00 -0.04 0.02 -0.04 3.22 3.16 2ozaA1 ARG 131 HD3 -0.02 -0.04 0.01 -0.04 3.22 3.14 2ozaA1 LYS 132 H 0.01 0.14 0.11 -0.55 8.42 8.13 2ozaA1 LYS 132 HA 0.02 0.07 0.53 -0.75 4.32 4.19 2ozaA1 LYS 132 HB2 0.01 -0.04 0.12 -0.04 1.87 1.92 2ozaA1 LYS 132 HB3 0.01 0.04 0.06 -0.04 1.79 1.86 2ozaA1 LYS 132 HG2 0.01 -0.04 0.13 -0.04 1.46 1.52 2ozaA1 LYS 132 HG3 0.00 0.04 0.07 -0.04 1.46 1.54 2ozaA1 LYS 132 HD2 0.01 0.02 -0.00 -0.04 1.69 1.68 2ozaA1 LYS 132 HD3 0.01 -0.01 -0.02 -0.04 1.68 1.62 2ozaA1 LYS 132 HE2 0.00 0.03 0.00 -0.04 2.99 2.98 2ozaA1 LYS 132 HE3 0.00 0.01 -0.02 -0.04 2.99 2.94 2ozaA1 CYS 133 H 0.03 0.45 0.34 -0.55 8.50 8.78 2ozaA1 CYS 133 HA 0.02 -0.01 0.69 -0.75 4.58 4.54 2ozaA1 CYS 133 HB2 0.06 -0.04 -0.05 -0.04 2.97 2.90 2ozaA1 CYS 133 HB3 0.03 0.01 -0.08 -0.04 2.97 2.88 2ozaA1 LEU 134 H 0.00 0.44 0.14 -0.55 8.37 8.40 2ozaA1 LEU 134 HA -0.00 0.34 1.07 -0.75 4.35 5.00 2ozaA1 LEU 134 HB2 -0.01 -0.10 0.08 -0.04 1.64 1.57 2ozaA1 LEU 134 HB3 -0.03 0.08 -0.06 -0.04 1.64 1.59 2ozaA1 LEU 134 HG -0.01 -0.12 -0.18 -0.04 1.64 1.29 2ozaA1 LEU 134 HD13 -0.02 -0.00 -0.20 -0.04 0.93 0.66 2ozaA1 LEU 134 HD23 -0.02 0.03 -0.12 -0.04 0.89 0.74 2ozaA1 LEU 135 H 0.02 0.43 0.18 -0.55 8.37 8.45 2ozaA1 LEU 135 HA -0.05 0.15 0.81 -0.75 4.35 4.51 2ozaA1 LEU 135 HB2 0.00 -0.11 0.05 -0.04 1.64 1.54 2ozaA1 LEU 135 HB3 -0.10 0.02 -0.04 -0.04 1.64 1.47 2ozaA1 LEU 135 HG -0.01 -0.01 -0.07 -0.04 1.64 1.50 2ozaA1 LEU 135 HD13 -0.15 -0.01 -0.09 -0.04 0.93 0.63 2ozaA1 LEU 135 HD23 -0.06 -0.02 -0.35 -0.04 0.89 0.42 2ozaA1 ILE 136 H -0.05 0.95 0.37 -0.55 8.25 8.97 2ozaA1 ILE 136 HA -0.06 0.21 1.12 -0.75 4.18 4.69 2ozaA1 ILE 136 HB -0.04 -0.05 0.11 -0.04 1.89 1.86 2ozaA1 ILE 136 HG12 -0.06 0.03 -0.15 -0.04 1.49 1.27 2ozaA1 ILE 136 HG13 -0.03 0.00 -0.49 -0.04 1.21 0.64 2ozaA1 ILE 136 HG23 -0.09 0.01 -0.17 -0.04 0.93 0.64 2ozaA1 ILE 136 HD13 -0.01 -0.02 -0.16 -0.04 0.88 0.65 2ozaA1 VAL 137 H -0.09 0.70 0.33 -0.55 8.24 8.64 2ozaA1 VAL 137 HA -0.13 0.30 0.96 -0.75 4.13 4.51 2ozaA1 VAL 137 HB -0.20 -0.14 0.15 -0.04 2.12 1.89 2ozaA1 VAL 137 HG13 -0.39 0.00 -0.21 -0.04 0.97 0.34 2ozaA1 VAL 137 HG23 -0.31 0.00 -0.21 -0.04 0.95 0.39 2ozaA1 MET 138 H -0.01 0.60 0.38 -0.55 8.47 8.89 2ozaA1 MET 138 HA -0.00 0.20 1.17 -0.75 4.52 5.13 2ozaA1 MET 138 HB2 0.03 -0.04 -0.05 -0.04 2.15 2.06 2ozaA1 MET 138 HB3 0.05 0.12 -0.10 -0.04 2.03 2.06 2ozaA1 MET 138 HG2 -0.07 0.06 -0.41 -0.04 2.63 2.17 2ozaA1 MET 138 HG3 -0.02 0.01 -0.37 -0.04 2.56 2.13 2ozaA1 MET 138 HE3 -0.04 -0.02 -0.15 -0.04 2.10 1.85 2ozaA1 GLU 139 H 0.10 0.53 0.23 -0.55 8.60 8.91 2ozaA1 GLU 139 HA 0.25 -0.02 0.55 -0.75 4.29 4.32 2ozaA1 GLU 139 HB2 0.10 0.05 0.20 -0.04 2.09 2.40 2ozaA1 GLU 139 HB3 0.08 -0.09 0.12 -0.04 1.99 2.06 2ozaA1 GLU 139 HG2 0.06 0.18 -0.25 -0.04 2.34 2.30 2ozaA1 GLU 139 HG3 0.07 -0.03 0.08 -0.04 2.34 2.42 2ozaA1 CYS 140 H 0.04 0.13 0.22 -0.55 8.50 8.35 2ozaA1 CYS 140 HA 0.03 0.04 0.41 -0.75 4.58 4.31 2ozaA1 CYS 140 HB2 -0.08 0.10 0.08 -0.04 2.97 3.02 2ozaA1 CYS 140 HB3 -0.03 -0.03 -0.09 -0.04 2.97 2.78 2ozaA1 LEU 141 H 0.03 0.17 -0.01 -0.55 8.37 8.01 2ozaA1 LEU 141 HA 0.05 0.15 0.84 -0.75 4.35 4.64 2ozaA1 LEU 141 HB2 0.06 -0.03 0.05 -0.04 1.64 1.67 2ozaA1 LEU 141 HB3 0.06 0.02 -0.15 -0.04 1.64 1.53 2ozaA1 LEU 141 HG 0.06 0.14 -0.38 -0.04 1.64 1.42 2ozaA1 LEU 141 HD13 0.07 -0.02 -0.22 -0.04 0.93 0.73 2ozaA1 LEU 141 HD23 0.06 0.06 -0.29 -0.04 0.89 0.67 2ozaA1 ASP 142 H 0.04 0.17 -0.16 -0.55 8.40 7.91 2ozaA1 ASP 142 HA 0.03 0.09 0.21 -0.75 4.63 4.20 2ozaA1 ASP 142 HB2 0.03 -0.03 -0.10 -0.04 2.71 2.56 2ozaA1 ASP 142 HB3 0.02 -0.03 -0.11 -0.04 2.70 2.53 2ozaA1 GLY 143 H 0.08 0.07 -0.17 -0.55 8.43 7.87 2ozaA1 GLY 143 HA2 0.04 -0.03 -0.26 -0.51 4.01 3.25 2ozaA1 GLY 143 HA3 0.15 0.02 0.18 -0.51 4.01 3.85 2ozaA1 GLY 144 H 0.09 0.09 -0.32 -0.55 8.43 7.75 2ozaA1 GLY 144 HA2 0.07 0.02 0.34 -0.51 4.01 3.93 2ozaA1 GLY 144 HA3 0.07 0.19 0.90 -0.51 4.01 4.66 2ozaA1 GLU 145 H 0.09 0.07 0.14 -0.55 8.60 8.35 2ozaA1 GLU 145 HA 0.07 0.28 0.39 -0.75 4.29 4.28 2ozaA1 GLU 145 HB2 0.15 -0.06 0.12 -0.04 2.09 2.25 2ozaA1 GLU 145 HB3 0.22 -0.12 0.11 -0.04 1.99 2.16 2ozaA1 GLU 145 HG2 0.15 0.13 0.04 -0.04 2.34 2.62 2ozaA1 GLU 145 HG3 0.12 0.00 0.07 -0.04 2.34 2.49 2ozaA1 LEU 146 H 0.02 0.45 0.34 -0.55 8.37 8.63 2ozaA1 LEU 146 HA -0.06 0.14 0.44 -0.75 4.35 4.12 2ozaA1 LEU 146 HB2 -0.30 0.05 0.02 -0.04 1.64 1.36 2ozaA1 LEU 146 HB3 -0.17 -0.00 0.20 -0.04 1.64 1.63 2ozaA1 LEU 146 HG -0.80 -0.03 -0.51 -0.04 1.64 0.26 2ozaA1 LEU 146 HD13 -0.16 0.00 -0.05 -0.04 0.93 0.68 2ozaA1 LEU 146 HD23 -0.47 0.00 -0.08 -0.04 0.89 0.30 2ozaA1 PHE 147 H 0.18 0.10 -0.04 -0.55 8.34 8.02 2ozaA1 PHE 147 HA -0.16 0.11 0.33 -0.75 4.62 4.15 2ozaA1 PHE 147 HB2 0.05 -0.05 0.04 -0.04 3.15 3.16 2ozaA1 PHE 147 HB3 -0.75 0.08 -0.05 -0.04 3.06 2.30 2ozaA1 PHE 147 HD2 0.06 -0.02 -0.02 -0.04 7.28 7.27 2ozaA1 PHE 147 HE2 0.14 0.01 -0.17 -0.04 7.38 7.32 2ozaA1 PHE 147 HZ 0.15 0.09 -0.05 -0.04 7.32 7.47 2ozaA1 SER 148 H 0.07 0.02 -0.34 -0.55 8.46 7.67 2ozaA1 SER 148 HA -0.10 0.09 0.48 -0.75 4.49 4.21 2ozaA1 SER 148 HB2 0.01 0.05 0.02 -0.04 3.95 3.99 2ozaA1 SER 148 HB3 0.05 -0.08 0.05 -0.04 3.93 3.91 2ozaA1 ARG 149 H 0.00 0.24 -0.55 -0.55 8.46 7.60 2ozaA1 ARG 149 HA -0.05 0.08 0.42 -0.75 4.34 4.03 2ozaA1 ARG 149 HB2 0.08 0.20 0.16 -0.04 1.90 2.30 2ozaA1 ARG 149 HB3 -0.10 -0.02 -0.06 -0.04 1.80 1.58 2ozaA1 ARG 149 HG2 0.10 0.09 -0.10 -0.04 1.67 1.72 2ozaA1 ARG 149 HG3 -0.03 -0.05 -0.05 -0.04 1.67 1.50 2ozaA1 ARG 149 HD2 -0.12 0.00 -0.01 -0.04 3.22 3.05 2ozaA1 ARG 149 HD3 -0.04 0.00 -0.02 -0.04 3.22 3.11 2ozaA1 ILE 150 H -0.17 0.30 -0.01 -0.55 8.25 7.83 2ozaA1 ILE 150 HA -0.31 0.00 0.23 -0.75 4.18 3.35 2ozaA1 ILE 150 HB -0.30 0.02 -0.02 -0.04 1.89 1.54 2ozaA1 ILE 150 HG12 -0.66 -0.03 -0.01 -0.04 1.49 0.75 2ozaA1 ILE 150 HG13 -0.32 0.15 0.07 -0.04 1.21 1.07 2ozaA1 ILE 150 HG23 -0.79 -0.02 -0.16 -0.04 0.93 -0.08 2ozaA1 ILE 150 HD13 -0.57 -0.02 -0.09 -0.04 0.88 0.16 2ozaA1 GLN 151 H -0.17 0.41 -0.49 -0.55 8.47 7.69 2ozaA1 GLN 151 HA -0.14 -0.04 0.36 -0.75 4.36 3.79 2ozaA1 GLN 151 HB2 -0.21 0.07 0.10 -0.04 2.15 2.08 2ozaA1 GLN 151 HB3 -0.11 0.24 0.11 -0.04 2.02 2.22 2ozaA1 GLN 151 HG2 -0.08 -0.04 -0.10 -0.04 2.40 2.14 2ozaA1 GLN 151 HG3 -0.11 -0.01 -0.12 -0.04 2.39 2.11 2ozaA1 GLN 151 HE21 -0.08 -0.06 -0.02 -0.04 6.97 6.77 2ozaA1 GLN 151 HE22 -0.06 -0.03 -0.03 -0.04 7.69 7.53 2ozaA1 ASP 152 H -0.09 0.40 -0.10 -0.55 8.40 8.07 2ozaA1 ASP 152 HA -0.05 -0.07 0.44 -0.75 4.63 4.19 2ozaA1 ASP 152 HB2 -0.06 0.09 0.21 -0.04 2.71 2.92 2ozaA1 ASP 152 HB3 -0.04 -0.09 0.01 -0.04 2.70 2.54 2ozaA1 ARG 153 H -0.04 0.20 0.28 -0.55 8.46 8.34 2ozaA1 ARG 153 HA -0.05 0.14 0.75 -0.75 4.34 4.43 2ozaA1 ARG 153 HB2 -0.05 0.14 -0.01 -0.04 1.90 1.94 2ozaA1 ARG 153 HB3 -0.03 -0.43 0.14 -0.04 1.80 1.44 2ozaA1 ARG 153 HG2 -0.11 0.53 -0.41 -0.04 1.67 1.64 2ozaA1 ARG 153 HG3 -0.06 -0.18 -0.09 -0.04 1.67 1.30 2ozaA1 ARG 153 HD2 -0.04 -0.36 0.14 -0.04 3.22 2.92 2ozaA1 ARG 153 HD3 -0.07 0.36 0.24 -0.04 3.22 3.70 2ozaA1 GLY 154 H -0.03 -0.09 0.23 -0.55 8.43 8.00 2ozaA1 GLY 154 HA2 -0.02 0.12 0.46 -0.51 4.01 4.06 2ozaA1 GLY 154 HA3 -0.02 -0.01 0.25 -0.51 4.01 3.73 2ozaA1 ASP 155 H -0.02 0.12 0.02 -0.55 8.40 7.97 2ozaA1 ASP 155 HA -0.02 -0.12 0.18 -0.75 4.63 3.92 2ozaA1 ASP 155 HB2 -0.01 0.03 0.12 -0.04 2.71 2.80 2ozaA1 ASP 155 HB3 -0.01 -0.01 -0.01 -0.04 2.70 2.63 2ozaA1 GLN 156 H -0.01 0.01 0.19 -0.55 8.47 8.11 2ozaA1 GLN 156 HA -0.01 0.11 0.55 -0.75 4.36 4.26 2ozaA1 GLN 156 HB2 -0.00 0.10 0.13 -0.04 2.15 2.33 2ozaA1 GLN 156 HB3 -0.01 0.04 0.23 -0.04 2.02 2.24 2ozaA1 GLN 156 HG2 -0.02 0.05 0.09 -0.04 2.40 2.47 2ozaA1 GLN 156 HG3 -0.02 -0.08 0.09 -0.04 2.39 2.35 2ozaA1 GLN 156 HE21 -0.04 0.07 0.04 -0.04 6.97 7.00 2ozaA1 GLN 156 HE22 -0.02 0.01 0.06 -0.04 7.69 7.70 2ozaA1 ALA 157 H 0.00 -0.12 -1.24 -0.55 8.40 6.50 2ozaA1 ALA 157 HA 0.02 -0.03 0.30 -0.75 4.34 3.87 2ozaA1 ALA 157 HB3 -0.01 0.07 0.05 -0.04 1.41 1.48 2ozaA1 PHE 158 H 0.12 0.16 0.17 -0.55 8.34 8.24 2ozaA1 PHE 158 HA -0.03 0.20 0.93 -0.75 4.62 4.96 2ozaA1 PHE 158 HB2 -0.03 0.04 0.03 -0.04 3.15 3.15 2ozaA1 PHE 158 HB3 -0.04 -0.07 0.22 -0.04 3.06 3.13 2ozaA1 PHE 158 HD2 -0.03 -0.08 0.04 -0.04 7.28 7.17 2ozaA1 PHE 158 HE2 -0.00 0.19 -0.02 -0.04 7.38 7.50 2ozaA1 PHE 158 HZ -0.00 -0.02 -0.10 -0.04 7.32 7.15 2ozaA1 THR 159 H -0.10 0.17 0.14 -0.55 8.28 7.94 2ozaA1 THR 159 HA -0.19 0.27 0.96 -0.75 4.39 4.67 2ozaA1 THR 159 HB -0.10 0.09 0.01 -0.04 4.32 4.28 2ozaA1 THR 159 HG23 -0.05 -0.01 -0.13 -0.04 1.22 0.98 2ozaA1 GLU 160 H -0.13 0.76 0.12 -0.55 8.60 8.81 2ozaA1 GLU 160 HA -0.13 0.03 0.21 -0.75 4.29 3.64 2ozaA1 GLU 160 HB2 -0.01 0.02 0.05 -0.04 2.09 2.11 2ozaA1 GLU 160 HB3 0.02 0.09 0.05 -0.04 1.99 2.11 2ozaA1 GLU 160 HG2 0.39 0.06 -0.25 -0.04 2.34 2.49 2ozaA1 GLU 160 HG3 0.52 -0.03 0.03 -0.04 2.34 2.81 2ozaA1 ARG 161 H -0.12 0.12 -0.21 -0.55 8.46 7.69 2ozaA1 ARG 161 HA -0.33 0.14 0.57 -0.75 4.34 3.97 2ozaA1 ARG 161 HB2 -0.18 0.16 0.12 -0.04 1.90 1.96 2ozaA1 ARG 161 HB3 -0.13 0.22 -0.00 -0.04 1.80 1.85 2ozaA1 ARG 161 HG2 -0.10 -0.09 0.01 -0.04 1.67 1.45 2ozaA1 ARG 161 HG3 -0.10 -0.02 -0.27 -0.04 1.67 1.24 2ozaA1 ARG 161 HD2 -0.06 -0.05 -0.02 -0.04 3.22 3.05 2ozaA1 ARG 161 HD3 -0.09 0.05 0.00 -0.04 3.22 3.14 2ozaA1 GLU 162 H -0.15 0.17 -0.20 -0.55 8.60 7.88 2ozaA1 GLU 162 HA -0.02 0.06 0.54 -0.75 4.29 4.11 2ozaA1 GLU 162 HB2 -0.19 0.25 0.19 -0.04 2.09 2.31 2ozaA1 GLU 162 HB3 0.26 -0.01 0.03 -0.04 1.99 2.23 2ozaA1 GLU 162 HG2 0.03 0.03 0.08 -0.04 2.34 2.44 2ozaA1 GLU 162 HG3 -0.04 -0.05 0.11 -0.04 2.34 2.32 2ozaA1 ALA 163 H -0.24 0.37 -0.22 -0.55 8.40 7.77 2ozaA1 ALA 163 HA 0.20 -0.01 0.28 -0.75 4.34 4.05 2ozaA1 ALA 163 HB3 0.11 0.08 -0.00 -0.04 1.41 1.56 2ozaA1 SER 164 H -0.30 0.30 -0.38 -0.55 8.46 7.53 2ozaA1 SER 164 HA -0.70 -0.01 0.41 -0.75 4.49 3.44 2ozaA1 SER 164 HB2 -1.84 -0.02 0.18 -0.04 3.95 2.23 2ozaA1 SER 164 HB3 -0.62 0.15 0.29 -0.04 3.93 3.71 2ozaA1 GLU 165 H -0.17 0.61 0.00 -0.55 8.60 8.50 2ozaA1 GLU 165 HA -0.09 0.03 0.58 -0.75 4.29 4.05 2ozaA1 GLU 165 HB2 -0.04 0.11 0.26 -0.04 2.09 2.38 2ozaA1 GLU 165 HB3 -0.01 -0.05 0.02 -0.04 1.99 1.90 2ozaA1 GLU 165 HG2 -0.11 0.11 0.07 -0.04 2.34 2.37 2ozaA1 GLU 165 HG3 -0.05 -0.04 0.03 -0.04 2.34 2.25 2ozaA1 ILE 166 H 0.02 0.77 -0.04 -0.55 8.25 8.45 2ozaA1 ILE 166 HA 0.03 -0.01 0.32 -0.75 4.18 3.76 2ozaA1 ILE 166 HB 0.11 0.12 0.08 -0.04 1.89 2.17 2ozaA1 ILE 166 HG12 0.11 -0.04 0.02 -0.04 1.49 1.53 2ozaA1 ILE 166 HG13 0.13 0.27 -0.00 -0.04 1.21 1.57 2ozaA1 ILE 166 HG23 -0.01 -0.03 -0.13 -0.04 0.93 0.72 2ozaA1 ILE 166 HD13 0.12 -0.02 -0.07 -0.04 0.88 0.86 2ozaA1 MET 167 H 0.07 0.49 -0.41 -0.55 8.47 8.07 2ozaA1 MET 167 HA 0.11 -0.01 0.59 -0.75 4.52 4.46 2ozaA1 MET 167 HB2 0.30 0.14 0.11 -0.04 2.15 2.65 2ozaA1 MET 167 HB3 0.41 -0.09 -0.02 -0.04 2.03 2.30 2ozaA1 MET 167 HG2 0.25 0.18 0.00 -0.04 2.63 3.03 2ozaA1 MET 167 HG3 0.43 -0.04 -0.05 -0.04 2.56 2.86 2ozaA1 MET 167 HE3 0.21 0.04 0.02 -0.04 2.10 2.33 2ozaA1 LYS 168 H 0.00 0.68 -0.00 -0.55 8.42 8.54 2ozaA1 LYS 168 HA 0.11 -0.01 0.53 -0.75 4.32 4.19 2ozaA1 LYS 168 HB2 -0.06 0.17 0.20 -0.04 1.87 2.13 2ozaA1 LYS 168 HB3 -0.05 0.04 0.17 -0.04 1.79 1.91 2ozaA1 LYS 168 HG2 0.00 -0.12 0.00 -0.04 1.46 1.31 2ozaA1 LYS 168 HG3 -0.00 0.02 -0.02 -0.04 1.46 1.41 2ozaA1 LYS 168 HD2 -0.03 -0.02 -0.01 -0.04 1.69 1.59 2ozaA1 LYS 168 HD3 -0.01 -0.07 -0.01 -0.04 1.68 1.55 2ozaA1 LYS 168 HE2 -0.04 0.00 0.08 -0.04 2.99 2.99 2ozaA1 LYS 168 HE3 -0.08 0.25 0.07 -0.04 2.99 3.20 2ozaA1 SER 169 H -0.07 0.69 -0.20 -0.55 8.46 8.34 2ozaA1 SER 169 HA -0.53 0.01 0.40 -0.75 4.49 3.61 2ozaA1 SER 169 HB2 -0.11 0.29 0.19 -0.04 3.95 4.28 2ozaA1 SER 169 HB3 -0.28 -0.01 -0.00 -0.04 3.93 3.60 2ozaA1 ILE 170 H -0.06 0.41 -0.15 -0.55 8.25 7.91 2ozaA1 ILE 170 HA -0.07 0.05 0.26 -0.75 4.18 3.67 2ozaA1 ILE 170 HB -0.03 0.08 0.06 -0.04 1.89 1.97 2ozaA1 ILE 170 HG12 -0.06 -0.05 -0.00 -0.04 1.49 1.34 2ozaA1 ILE 170 HG13 -0.04 0.42 0.23 -0.04 1.21 1.78 2ozaA1 ILE 170 HG23 -0.07 -0.02 -0.03 -0.04 0.93 0.77 2ozaA1 ILE 170 HD13 -0.01 -0.03 -0.07 -0.04 0.88 0.73 2ozaA1 GLY 171 H 0.02 0.47 -0.42 -0.55 8.43 7.95 2ozaA1 GLY 171 HA2 -0.13 -0.03 0.36 -0.51 4.01 3.70 2ozaA1 GLY 171 HA3 0.09 0.13 0.26 -0.51 4.01 3.98 2ozaA1 GLU 172 H -0.03 0.60 -0.22 -0.55 8.60 8.41 2ozaA1 GLU 172 HA 0.06 0.01 0.61 -0.75 4.29 4.22 2ozaA1 GLU 172 HB2 -0.09 0.24 0.22 -0.04 2.09 2.42 2ozaA1 GLU 172 HB3 0.12 -0.09 0.02 -0.04 1.99 2.00 2ozaA1 GLU 172 HG2 0.05 -0.09 0.05 -0.04 2.34 2.31 2ozaA1 GLU 172 HG3 -0.02 0.46 0.11 -0.04 2.34 2.85 2ozaA1 ALA 173 H -0.02 0.55 -0.08 -0.55 8.40 8.30 2ozaA1 ALA 173 HA 0.09 -0.02 0.29 -0.75 4.34 3.95 2ozaA1 ALA 173 HB3 0.03 0.07 0.08 -0.04 1.41 1.55 2ozaA1 ILE 174 H -0.03 0.51 -0.23 -0.55 8.25 7.95 2ozaA1 ILE 174 HA 0.00 0.00 0.34 -0.75 4.18 3.77 2ozaA1 ILE 174 HB -0.19 0.08 0.10 -0.04 1.89 1.83 2ozaA1 ILE 174 HG12 -0.09 0.33 0.09 -0.04 1.49 1.77 2ozaA1 ILE 174 HG13 -0.14 -0.01 -0.03 -0.04 1.21 0.99 2ozaA1 ILE 174 HG23 -0.44 -0.04 -0.06 -0.04 0.93 0.35 2ozaA1 ILE 174 HD13 -0.05 -0.04 -0.01 -0.04 0.88 0.74 2ozaA1 GLN 175 H -0.01 0.59 -0.22 -0.55 8.47 8.28 2ozaA1 GLN 175 HA -0.05 -0.10 0.44 -0.75 4.36 3.89 2ozaA1 GLN 175 HB2 0.03 0.10 0.17 -0.04 2.15 2.41 2ozaA1 GLN 175 HB3 0.06 0.07 0.23 -0.04 2.02 2.34 2ozaA1 GLN 175 HG2 0.03 0.00 -0.17 -0.04 2.40 2.22 2ozaA1 GLN 175 HG3 0.03 -0.13 0.01 -0.04 2.39 2.27 2ozaA1 GLN 175 HE21 0.05 0.02 -0.02 -0.04 6.97 6.98 2ozaA1 GLN 175 HE22 0.04 -0.08 -0.02 -0.04 7.69 7.58 2ozaA1 TYR 176 H 0.19 0.70 -0.25 -0.55 8.29 8.37 2ozaA1 TYR 176 HA 0.05 -0.01 0.36 -0.75 4.56 4.20 2ozaA1 TYR 176 HB2 0.05 0.05 0.11 -0.04 3.06 3.23 2ozaA1 TYR 176 HB3 0.07 0.16 0.14 -0.04 2.98 3.31 2ozaA1 TYR 176 HD2 0.05 -0.01 -0.25 -0.04 7.15 6.90 2ozaA1 TYR 176 HE2 0.00 0.04 -0.11 -0.04 6.85 6.74 2ozaA1 LEU 177 H 0.25 0.37 -0.20 -0.55 8.37 8.25 2ozaA1 LEU 177 HA 0.32 0.03 0.22 -0.75 4.35 4.16 2ozaA1 LEU 177 HB2 0.28 0.02 0.19 -0.04 1.64 2.09 2ozaA1 LEU 177 HB3 0.26 0.11 -0.05 -0.04 1.64 1.91 2ozaA1 LEU 177 HG 0.21 0.29 0.08 -0.04 1.64 2.17 2ozaA1 LEU 177 HD13 0.18 -0.04 -0.13 -0.04 0.93 0.89 2ozaA1 LEU 177 HD23 0.32 -0.02 -0.09 -0.04 0.89 1.06 2ozaA1 HIS 178 H 0.29 0.54 -0.06 -0.55 8.41 8.64 2ozaA1 HIS 178 HA 0.06 0.04 0.26 -0.75 4.63 4.24 2ozaA1 HIS 178 HB2 0.05 0.09 0.16 -0.04 3.26 3.52 2ozaA1 HIS 178 HB3 0.04 -0.09 0.03 -0.04 3.20 3.14 2ozaA1 HIS 178 HD2 0.07 0.06 0.15 -0.04 6.97 7.20 2ozaA1 HIS 178 HE1 0.03 0.16 0.12 -0.04 7.75 8.02 2ozaA1 SER 179 H 0.11 0.48 -0.33 -0.55 8.46 8.18 2ozaA1 SER 179 HA 0.04 -0.04 0.33 -0.75 4.49 4.07 2ozaA1 SER 179 HB2 -0.04 -0.07 0.05 -0.04 3.95 3.84 2ozaA1 SER 179 HB3 0.00 -0.05 0.12 -0.04 3.93 3.96 2ozaA1 ILE 180 H 0.03 0.43 -0.18 -0.55 8.25 7.98 2ozaA1 ILE 180 HA 0.00 0.13 0.87 -0.75 4.18 4.43 2ozaA1 ILE 180 HB 0.04 -0.06 0.17 -0.04 1.89 1.99 2ozaA1 ILE 180 HG12 0.14 0.19 -0.00 -0.04 1.49 1.78 2ozaA1 ILE 180 HG13 0.11 -0.07 -0.22 -0.04 1.21 0.99 2ozaA1 ILE 180 HG23 -0.11 0.03 -0.01 -0.04 0.93 0.80 2ozaA1 ILE 180 HD13 0.24 -0.02 -0.11 -0.04 0.88 0.94 2ozaA1 ASN 181 H 0.06 0.34 -0.61 -0.55 8.53 7.77 2ozaA1 ASN 181 HA 0.03 0.09 0.28 -0.75 4.76 4.40 2ozaA1 ASN 181 HB2 0.03 0.17 -0.49 -0.04 2.88 2.55 2ozaA1 ASN 181 HB3 0.02 -0.05 0.29 -0.04 2.79 3.02 2ozaA1 ASN 181 HD21 0.02 -0.24 0.16 -0.04 7.03 6.93 2ozaA1 ASN 181 HD22 0.02 0.12 0.16 -0.04 7.74 8.00 2ozaA1 ILE 182 H 0.10 0.75 -0.03 -0.55 8.25 8.53 2ozaA1 ILE 182 HA 0.06 0.17 0.93 -0.75 4.18 4.58 2ozaA1 ILE 182 HB 0.19 -0.07 -0.06 -0.04 1.89 1.91 2ozaA1 ILE 182 HG12 0.10 -0.01 -0.23 -0.04 1.49 1.31 2ozaA1 ILE 182 HG13 0.11 0.09 -0.41 -0.04 1.21 0.96 2ozaA1 ILE 182 HG23 0.18 -0.01 -0.27 -0.04 0.93 0.79 2ozaA1 ILE 182 HD13 0.17 -0.01 -0.11 -0.04 0.88 0.89 2ozaA1 ALA 183 H 0.02 0.70 0.23 -0.55 8.40 8.81 2ozaA1 ALA 183 HA 0.02 0.09 0.82 -0.75 4.34 4.52 2ozaA1 ALA 183 HB3 -0.02 0.02 -0.13 -0.04 1.41 1.23 2ozaA1 HIS 184 H 0.18 0.11 0.04 -0.55 8.41 8.19 2ozaA1 HIS 184 HA -0.21 0.11 0.50 -0.75 4.63 4.27 2ozaA1 HIS 184 HB2 -0.17 0.08 0.02 -0.04 3.26 3.15 2ozaA1 HIS 184 HB3 -0.05 -0.16 0.10 -0.04 3.20 3.05 2ozaA1 HIS 184 HD2 -0.95 -0.01 -0.19 -0.04 6.97 5.78 2ozaA1 HIS 184 HE1 -0.03 0.16 -0.11 -0.04 7.75 7.73 2ozaA1 ARG 185 H 0.18 0.01 -0.02 -0.55 8.46 8.08 2ozaA1 ARG 185 HA 0.10 0.02 0.17 -0.75 4.34 3.88 2ozaA1 ARG 185 HB2 0.07 0.44 -0.19 -0.04 1.90 2.18 2ozaA1 ARG 185 HB3 0.04 0.02 0.10 -0.04 1.80 1.91 2ozaA1 ARG 185 HG2 0.08 0.05 -0.10 -0.04 1.67 1.66 2ozaA1 ARG 185 HG3 0.07 -0.07 -0.61 -0.04 1.67 1.02 2ozaA1 ARG 185 HD2 0.10 -0.01 -0.03 -0.04 3.22 3.24 2ozaA1 ARG 185 HD3 0.12 -0.12 -0.08 -0.04 3.22 3.10 2ozaA1 ASP 186 H 0.53 -0.06 -0.35 -0.55 8.40 7.97 2ozaA1 ASP 186 HA 0.04 0.16 0.28 -0.75 4.63 4.36 2ozaA1 ASP 186 HB2 0.04 0.16 -0.29 -0.04 2.71 2.58 2ozaA1 ASP 186 HB3 0.26 0.03 -0.08 -0.04 2.70 2.88 2ozaA1 VAL 187 H 0.09 0.08 -0.02 -0.55 8.24 7.84 2ozaA1 VAL 187 HA -0.19 0.15 0.58 -0.75 4.13 3.92 2ozaA1 VAL 187 HB -0.00 -0.00 0.18 -0.04 2.12 2.25 2ozaA1 VAL 187 HG13 -0.09 0.02 -0.14 -0.04 0.97 0.73 2ozaA1 VAL 187 HG23 -0.22 -0.03 0.03 -0.04 0.95 0.68 2ozaA1 LYS 188 H 0.03 0.27 0.17 -0.55 8.42 8.34 2ozaA1 LYS 188 HA 0.07 0.20 0.59 -0.75 4.32 4.43 2ozaA1 LYS 188 HB2 0.05 -0.06 0.07 -0.04 1.87 1.89 2ozaA1 LYS 188 HB3 0.08 0.10 -0.12 -0.04 1.79 1.81 2ozaA1 LYS 188 HG2 0.07 0.03 -0.46 -0.04 1.46 1.06 2ozaA1 LYS 188 HG3 0.08 0.03 -0.09 -0.04 1.46 1.44 2ozaA1 LYS 188 HD2 0.05 -0.14 -0.09 -0.04 1.69 1.47 2ozaA1 LYS 188 HD3 0.04 0.04 -0.12 -0.04 1.68 1.60 2ozaA1 LYS 188 HE2 0.10 0.13 -0.07 -0.04 2.99 3.10 2ozaA1 LYS 188 HE3 0.09 -0.06 -0.10 -0.04 2.99 2.88 2ozaA1 PRO 189 HA 0.32 0.10 0.45 -0.51 4.44 4.80 2ozaA1 PRO 189 HB2 0.23 0.03 0.08 -0.04 2.28 2.58 2ozaA1 PRO 189 HB3 0.74 -0.03 0.10 -0.04 2.02 2.78 2ozaA1 PRO 189 HG2 -0.22 0.08 0.03 -0.04 2.03 1.88 2ozaA1 PRO 189 HG3 0.22 0.07 0.03 -0.04 2.03 2.32 2ozaA1 PRO 189 HD2 -0.00 0.12 0.16 -0.04 3.68 3.93 2ozaA1 PRO 189 HD3 0.06 0.19 0.15 -0.04 3.65 4.01 2ozaA1 GLU 190 H 0.11 0.17 -0.13 -0.55 8.60 8.20 2ozaA1 GLU 190 HA 0.15 0.06 0.39 -0.75 4.29 4.13 2ozaA1 GLU 190 HB2 0.10 0.05 0.07 -0.04 2.09 2.27 2ozaA1 GLU 190 HB3 0.11 0.01 0.10 -0.04 1.99 2.17 2ozaA1 GLU 190 HG2 0.06 -0.06 0.06 -0.04 2.34 2.36 2ozaA1 GLU 190 HG3 0.08 0.01 -0.05 -0.04 2.34 2.33 2ozaA1 ASN 191 H 0.09 0.33 -0.76 -0.55 8.53 7.64 2ozaA1 ASN 191 HA 0.09 0.16 0.86 -0.75 4.76 5.12 2ozaA1 ASN 191 HB2 0.05 -0.05 0.10 -0.04 2.88 2.94 2ozaA1 ASN 191 HB3 0.06 0.07 0.25 -0.04 2.79 3.13 2ozaA1 ASN 191 HD21 0.18 -0.10 -0.02 -0.04 7.03 7.06 2ozaA1 ASN 191 HD22 0.19 0.37 0.14 -0.04 7.74 8.40 2ozaA1 LEU 192 H 0.06 0.39 0.01 -0.55 8.37 8.28 2ozaA1 LEU 192 HA -0.04 0.38 0.97 -0.75 4.35 4.91 2ozaA1 LEU 192 HB2 0.00 -0.09 0.27 -0.04 1.64 1.78 2ozaA1 LEU 192 HB3 -0.11 0.01 0.04 -0.04 1.64 1.55 2ozaA1 LEU 192 HG -0.01 -0.01 -0.33 -0.04 1.64 1.26 2ozaA1 LEU 192 HD13 0.03 -0.03 -0.15 -0.04 0.93 0.74 2ozaA1 LEU 192 HD23 -0.06 0.03 -0.04 -0.04 0.89 0.77 2ozaA1 LEU 193 H -0.05 0.69 0.20 -0.55 8.37 8.67 2ozaA1 LEU 193 HA -0.03 0.26 0.72 -0.75 4.35 4.54 2ozaA1 LEU 193 HB2 0.03 0.01 -0.14 -0.04 1.64 1.50 2ozaA1 LEU 193 HB3 0.05 0.04 -0.17 -0.04 1.64 1.52 2ozaA1 LEU 193 HG 0.06 -0.08 -0.33 -0.04 1.64 1.25 2ozaA1 LEU 193 HD13 0.06 0.06 -0.56 -0.04 0.93 0.46 2ozaA1 LEU 193 HD23 0.07 0.01 -0.14 -0.04 0.89 0.79 2ozaA1 TYR 194 H 0.11 0.43 0.11 -0.55 8.29 8.40 2ozaA1 TYR 194 HA 0.02 0.34 0.89 -0.75 4.56 5.06 2ozaA1 TYR 194 HB2 0.00 0.06 0.03 -0.04 3.06 3.11 2ozaA1 TYR 194 HB3 0.00 0.00 0.02 -0.04 2.98 2.96 2ozaA1 TYR 194 HD2 -0.01 0.07 -0.38 -0.04 7.15 6.79 2ozaA1 TYR 194 HE2 -0.04 0.02 -0.09 -0.04 6.85 6.70 2ozaA1 THR 195 H 0.21 0.40 0.19 -0.55 8.28 8.53 2ozaA1 THR 195 HA 0.07 0.10 0.51 -0.75 4.39 4.31 2ozaA1 THR 195 HB 0.04 0.01 0.27 -0.04 4.32 4.59 2ozaA1 THR 195 HG23 0.05 0.07 -0.01 -0.04 1.22 1.29 2ozaA1 SER 196 H 0.10 0.24 -0.46 -0.55 8.46 7.79 2ozaA1 SER 196 HA 0.02 0.02 0.34 -0.75 4.49 4.11 2ozaA1 SER 196 HB2 0.00 0.03 0.25 -0.04 3.95 4.19 2ozaA1 SER 196 HB3 0.01 0.29 -0.34 -0.04 3.93 3.85 2ozaA1 LYS 197 H -0.01 0.15 0.09 -0.55 8.42 8.09 2ozaA1 LYS 197 HA -0.05 0.25 0.66 -0.75 4.32 4.43 2ozaA1 LYS 197 HB2 -0.01 0.01 -0.01 -0.04 1.87 1.82 2ozaA1 LYS 197 HB3 -0.02 -0.04 0.02 -0.04 1.79 1.71 2ozaA1 LYS 197 HG2 -0.02 -0.03 0.01 -0.04 1.46 1.38 2ozaA1 LYS 197 HG3 -0.04 0.02 0.16 -0.04 1.46 1.56 2ozaA1 LYS 197 HD2 -0.03 0.05 0.04 -0.04 1.69 1.71 2ozaA1 LYS 197 HD3 -0.01 0.06 -0.01 -0.04 1.68 1.68 2ozaA1 LYS 197 HE2 -0.02 -0.02 0.00 -0.04 2.99 2.91 2ozaA1 LYS 197 HE3 -0.01 0.04 -0.01 -0.04 2.99 2.98 2ozaA1 ARG 198 H -0.04 -0.07 -0.26 -0.55 8.46 7.54 2ozaA1 ARG 198 HA -0.05 0.21 0.62 -0.75 4.34 4.37 2ozaA1 ARG 198 HB2 -0.03 -0.03 -0.09 -0.04 1.90 1.71 2ozaA1 ARG 198 HB3 -0.03 0.03 0.08 -0.04 1.80 1.84 2ozaA1 ARG 198 HG2 -0.02 0.07 -0.02 -0.04 1.67 1.66 2ozaA1 ARG 198 HG3 -0.02 -0.17 -0.03 -0.04 1.67 1.41 2ozaA1 ARG 198 HD2 -0.01 -0.02 -0.01 -0.04 3.22 3.15 2ozaA1 ARG 198 HD3 -0.01 0.03 -0.03 -0.04 3.22 3.17 2ozaA1 PRO 199 HA -0.10 0.16 0.49 -0.51 4.44 4.47 2ozaA1 PRO 199 HB2 -0.04 0.01 0.01 -0.04 2.28 2.22 2ozaA1 PRO 199 HB3 -0.05 0.06 0.10 -0.04 2.02 2.08 2ozaA1 PRO 199 HG2 -0.04 0.03 0.08 -0.04 2.03 2.06 2ozaA1 PRO 199 HG3 -0.05 0.09 0.07 -0.04 2.03 2.10 2ozaA1 PRO 199 HD2 -0.04 0.06 0.20 -0.04 3.68 3.86 2ozaA1 PRO 199 HD3 -0.05 0.20 0.22 -0.04 3.65 3.98 2ozaA1 ASN 200 H -0.04 0.05 -0.27 -0.55 8.53 7.73 2ozaA1 ASN 200 HA -0.02 0.17 0.46 -0.75 4.76 4.61 2ozaA1 ASN 200 HB2 -0.01 0.03 0.12 -0.04 2.88 2.99 2ozaA1 ASN 200 HB3 -0.01 -0.02 0.04 -0.04 2.79 2.75 2ozaA1 ASN 200 HD21 -0.01 -0.01 -0.06 -0.04 7.03 6.91 2ozaA1 ASN 200 HD22 -0.00 0.03 -0.00 -0.04 7.74 7.73 2ozaA1 ALA 201 H -0.07 0.25 -0.99 -0.55 8.40 7.05 2ozaA1 ALA 201 HA 0.02 0.01 0.33 -0.75 4.34 3.95 2ozaA1 ALA 201 HB3 -0.08 -0.06 -0.08 -0.04 1.41 1.15 2ozaA1 ILE 202 H 0.09 0.07 0.18 -0.55 8.25 8.04 2ozaA1 ILE 202 HA 0.15 0.16 0.72 -0.75 4.18 4.46 2ozaA1 ILE 202 HB 0.03 -0.06 0.11 -0.04 1.89 1.92 2ozaA1 ILE 202 HG12 0.03 0.03 -0.06 -0.04 1.49 1.45 2ozaA1 ILE 202 HG13 0.02 -0.00 0.03 -0.04 1.21 1.22 2ozaA1 ILE 202 HG23 -0.08 0.04 -0.15 -0.04 0.93 0.70 2ozaA1 ILE 202 HD13 -0.06 0.01 0.01 -0.04 0.88 0.80 2ozaA1 LEU 203 H 0.22 0.14 0.14 -0.55 8.37 8.32 2ozaA1 LEU 203 HA -0.23 0.16 0.78 -0.75 4.35 4.32 2ozaA1 LEU 203 HB2 -0.13 -0.01 0.03 -0.04 1.64 1.49 2ozaA1 LEU 203 HB3 0.02 -0.03 0.10 -0.04 1.64 1.69 2ozaA1 LEU 203 HG -0.19 0.09 -0.23 -0.04 1.64 1.27 2ozaA1 LEU 203 HD13 -0.94 -0.00 -0.26 -0.04 0.93 -0.31 2ozaA1 LEU 203 HD23 -0.14 -0.03 -0.06 -0.04 0.89 0.62 2ozaA1 LYS 204 H -0.08 0.79 0.33 -0.55 8.42 8.91 2ozaA1 LYS 204 HA 0.06 0.33 0.84 -0.75 4.32 4.80 2ozaA1 LYS 204 HB2 0.04 -0.05 -0.15 -0.04 1.87 1.67 2ozaA1 LYS 204 HB3 0.05 -0.05 -0.35 -0.04 1.79 1.40 2ozaA1 LYS 204 HG2 0.03 -0.05 -0.67 -0.04 1.46 0.73 2ozaA1 LYS 204 HG3 0.04 -0.07 -0.24 -0.04 1.46 1.14 2ozaA1 LYS 204 HD2 0.02 -0.04 -0.52 -0.04 1.69 1.12 2ozaA1 LYS 204 HD3 -0.02 0.04 -0.31 -0.04 1.68 1.35 2ozaA1 LYS 204 HE2 -0.06 0.04 -0.04 -0.04 2.99 2.89 2ozaA1 LYS 204 HE3 0.01 -0.14 -0.09 -0.04 2.99 2.73 2ozaA1 LEU 205 H 0.06 0.50 0.32 -0.55 8.37 8.70 2ozaA1 LEU 205 HA -0.00 0.32 1.00 -0.75 4.35 4.91 2ozaA1 LEU 205 HB2 -0.04 -0.03 0.10 -0.04 1.64 1.64 2ozaA1 LEU 205 HB3 0.04 0.03 0.26 -0.04 1.64 1.93 2ozaA1 LEU 205 HG -0.06 0.02 -0.29 -0.04 1.64 1.28 2ozaA1 LEU 205 HD13 -0.34 0.03 0.07 -0.04 0.93 0.64 2ozaA1 LEU 205 HD23 -0.18 -0.03 -0.07 -0.04 0.89 0.56 2ozaA1 THR 206 H 0.08 0.54 0.33 -0.55 8.28 8.67 2ozaA1 THR 206 HA 0.24 0.17 0.89 -0.75 4.39 4.93 2ozaA1 THR 206 HB 0.19 -0.08 0.04 -0.04 4.32 4.42 2ozaA1 THR 206 HG23 0.10 0.05 -0.26 -0.04 1.22 1.06 2ozaA1 ASP 207 H 0.32 0.10 0.07 -0.55 8.40 8.35 2ozaA1 ASP 207 HA 0.24 -0.07 0.40 -0.75 4.63 4.45 2ozaA1 ASP 207 HB2 0.17 0.01 -0.35 -0.04 2.71 2.50 2ozaA1 ASP 207 HB3 0.19 0.15 0.17 -0.04 2.70 3.17 2ozaA1 PHE 208 H 0.37 0.13 0.06 -0.55 8.34 8.36 2ozaA1 PHE 208 HA -0.28 0.26 0.66 -0.75 4.62 4.51 2ozaA1 PHE 208 HB2 0.05 0.02 0.05 -0.04 3.15 3.22 2ozaA1 PHE 208 HB3 -0.03 0.02 0.16 -0.04 3.06 3.17 2ozaA1 PHE 208 HD2 -0.16 -0.14 -0.26 -0.04 7.28 6.69 2ozaA1 PHE 208 HE2 -0.16 0.06 -0.22 -0.04 7.38 7.02 2ozaA1 PHE 208 HZ -0.06 0.05 -0.12 -0.04 7.32 7.14 2ozaA1 GLY 209 H 0.04 0.12 -0.38 -0.55 8.43 7.67 2ozaA1 GLY 209 HA2 -0.07 0.00 0.24 -0.51 4.01 3.67 2ozaA1 GLY 209 HA3 -0.19 0.01 0.27 -0.51 4.01 3.59 2ozaA1 PHE 210 H 0.01 0.00 -0.57 -0.55 8.34 7.23 2ozaA1 PHE 210 HA -0.00 0.15 0.84 -0.75 4.62 4.85 2ozaA1 PHE 210 HB2 -0.09 -0.01 -0.16 -0.04 3.15 2.86 2ozaA1 PHE 210 HB3 -0.02 0.07 0.00 -0.04 3.06 3.07 2ozaA1 PHE 210 HD2 0.00 -0.00 -0.06 -0.04 7.28 7.17 2ozaA1 PHE 210 HE2 0.01 -0.04 -0.05 -0.04 7.38 7.26 2ozaA1 PHE 210 HZ 0.01 -0.03 -0.05 -0.04 7.32 7.21 2ozaA1 ALA 211 H -0.06 0.09 -0.13 -0.55 8.40 7.75 2ozaA1 ALA 211 HA -0.04 0.34 0.47 -0.75 4.34 4.35 2ozaA1 ALA 211 HB3 -0.06 -0.06 0.07 -0.04 1.41 1.32 2ozaA1 LYS 212 H 0.04 0.51 0.31 -0.55 8.42 8.73 2ozaA1 LYS 212 HA 0.03 -0.02 0.46 -0.75 4.32 4.04 2ozaA1 LYS 212 HB2 -0.04 -0.07 0.16 -0.04 1.87 1.88 2ozaA1 LYS 212 HB3 0.04 0.20 -0.40 -0.04 1.79 1.60 2ozaA1 LYS 212 HG2 0.03 -0.07 -0.11 -0.04 1.46 1.27 2ozaA1 LYS 212 HG3 -0.04 0.13 -0.58 -0.04 1.46 0.93 2ozaA1 LYS 212 HD2 -0.33 -0.02 0.02 -0.04 1.69 1.32 2ozaA1 LYS 212 HD3 -0.19 -0.00 -0.02 -0.04 1.68 1.43 2ozaA1 LYS 212 HE2 -0.11 -0.06 -0.04 -0.04 2.99 2.74 2ozaA1 LYS 212 HE3 -0.08 -0.04 -0.09 -0.04 2.99 2.73 2ozaA1 GLU 213 H -0.00 0.09 0.18 -0.55 8.60 8.32 2ozaA1 GLU 213 HA 0.02 0.22 1.01 -0.75 4.29 4.79 2ozaA1 GLU 213 HB2 0.00 0.05 0.05 -0.04 2.09 2.15 2ozaA1 GLU 213 HB3 0.03 0.10 0.15 -0.04 1.99 2.23 2ozaA1 GLU 213 HG2 0.02 -0.09 0.13 -0.04 2.34 2.36 2ozaA1 GLU 213 HG3 -0.01 -0.03 0.10 -0.04 2.34 2.36 2ozaA1 THR 214 H -0.00 0.65 0.36 -0.55 8.28 8.74 2ozaA1 THR 214 HA -0.03 0.12 0.83 -0.75 4.39 4.56 2ozaA1 THR 214 HB -0.01 0.02 -0.19 -0.04 4.32 4.09 2ozaA1 THR 214 HG23 -0.05 0.00 -0.26 -0.04 1.22 0.87 2ozaA1 THR 215 H 0.01 0.13 0.17 -0.55 8.28 8.04 2ozaA1 THR 215 HA 0.04 0.16 0.79 -0.75 4.39 4.62 2ozaA1 THR 215 HB 0.04 -0.01 0.05 -0.04 4.32 4.36 2ozaA1 THR 215 HG23 0.01 -0.02 0.08 -0.04 1.22 1.26 2ozaA1 SER 216 H 0.04 0.21 0.15 -0.55 8.46 8.31 2ozaA1 SER 216 HA 0.04 0.05 0.66 -0.75 4.49 4.49 2ozaA1 SER 216 HB2 0.02 -0.02 0.06 -0.04 3.95 3.97 2ozaA1 SER 216 HB3 0.03 0.11 0.13 -0.04 3.93 4.16 2ozaA1 HIS 217 H 0.10 0.21 0.02 -0.55 8.41 8.19 2ozaA1 HIS 217 HA 0.01 0.10 0.86 -0.75 4.63 4.85 2ozaA1 HIS 217 HB2 0.01 -0.05 -0.47 -0.04 3.26 2.71 2ozaA1 HIS 217 HB3 0.00 -0.00 0.05 -0.04 3.20 3.21 2ozaA1 HIS 217 HD2 0.01 -0.02 -0.06 -0.04 6.97 6.85 2ozaA1 HIS 217 HE1 0.01 -0.02 -0.02 -0.04 7.75 7.67 2ozaA1 ASN 218 H -0.07 0.11 0.06 -0.55 8.53 8.09 2ozaA1 ASN 218 HA 0.04 0.00 0.45 -0.75 4.76 4.49 2ozaA1 ASN 218 HB2 -0.04 0.01 0.05 -0.04 2.88 2.86 2ozaA1 ASN 218 HB3 0.01 0.03 0.06 -0.04 2.79 2.84 2ozaA1 ASN 218 HD21 -0.05 0.03 0.02 -0.04 7.03 6.99 2ozaA1 ASN 218 HD22 -0.09 0.01 0.05 -0.04 7.74 7.67 2ozaA1 SER 219 H 0.04 0.09 0.18 -0.55 8.46 8.23 2ozaA1 SER 219 HA 0.08 0.15 0.40 -0.75 4.49 4.37 2ozaA1 SER 219 HB2 0.03 0.04 0.08 -0.04 3.95 4.06 2ozaA1 SER 219 HB3 0.02 0.01 0.08 -0.04 3.93 4.00 2ozaA1 LEU 220 H 0.03 0.11 0.12 -0.55 8.37 8.09 2ozaA1 LEU 220 HA 0.02 0.01 0.47 -0.75 4.35 4.10 2ozaA1 LEU 220 HB2 0.02 0.02 0.05 -0.04 1.64 1.69 2ozaA1 LEU 220 HB3 0.01 -0.01 0.17 -0.04 1.64 1.77 2ozaA1 LEU 220 HG -0.00 -0.02 -0.02 -0.04 1.64 1.56 2ozaA1 LEU 220 HD13 0.01 0.01 -0.13 -0.04 0.93 0.78 2ozaA1 LEU 220 HD23 -0.01 -0.00 0.03 -0.04 0.89 0.87 2ozaA1 THR 221 H 0.02 0.14 0.20 -0.55 8.28 8.09 2ozaA1 THR 221 HA 0.01 0.14 0.61 -0.75 4.39 4.39 2ozaA1 THR 221 HB 0.01 -0.06 0.21 -0.04 4.32 4.44 2ozaA1 THR 221 HG23 0.01 0.01 -0.04 -0.04 1.22 1.16 2ozaA1 THR 222 H -0.00 0.21 0.03 -0.55 8.28 7.97 2ozaA1 THR 222 HA 0.00 -0.00 -0.08 -0.75 4.39 3.56 2ozaA1 THR 222 HB -0.01 -0.01 -0.00 -0.04 4.32 4.26 2ozaA1 THR 222 HG23 -0.01 0.00 0.04 -0.04 1.22 1.21 2ozaA1 PRO 223 HA -0.02 0.08 0.22 -0.51 4.44 4.21 2ozaA1 PRO 223 HB2 0.03 -0.03 0.06 -0.04 2.28 2.30 2ozaA1 PRO 223 HB3 0.02 0.02 0.13 -0.04 2.02 2.15 2ozaA1 PRO 223 HG2 0.01 0.08 0.03 -0.04 2.03 2.12 2ozaA1 PRO 223 HG3 0.02 0.00 0.07 -0.04 2.03 2.08 2ozaA1 PRO 223 HD2 0.00 0.07 0.08 -0.04 3.68 3.79 2ozaA1 PRO 223 HD3 0.01 0.12 0.09 -0.04 3.65 3.82 2ozaA1 CYS 224 H -0.09 0.06 0.16 -0.55 8.50 8.08 2ozaA1 CYS 224 HA -0.17 0.16 0.27 -0.75 4.58 4.09 2ozaA1 CYS 224 HB2 -0.51 -0.05 0.11 -0.04 2.97 2.48 2ozaA1 CYS 224 HB3 -0.58 0.00 0.05 -0.04 2.97 2.40 2ozaA1 TYR 225 H -0.01 0.06 -0.06 -0.55 8.29 7.73 2ozaA1 TYR 225 HA -0.00 0.19 0.91 -0.75 4.56 4.90 2ozaA1 TYR 225 HB2 -0.01 -0.03 0.07 -0.04 3.06 3.05 2ozaA1 TYR 225 HB3 -0.01 0.02 -0.01 -0.04 2.98 2.93 2ozaA1 TYR 225 HD2 0.00 0.02 -0.00 -0.04 7.15 7.12 2ozaA1 TYR 225 HE2 0.00 0.00 -0.02 -0.04 6.85 6.79 2ozaA1 THR 226 H 0.09 0.25 0.12 -0.55 8.28 8.19 2ozaA1 THR 226 HA 0.01 0.12 0.74 -0.75 4.39 4.51 2ozaA1 THR 226 HB -0.02 0.06 -0.00 -0.04 4.32 4.32 2ozaA1 THR 226 HG23 0.01 -0.02 -0.33 -0.04 1.22 0.83 2ozaA1 PRO 227 HA -0.26 -0.01 0.37 -0.51 4.44 4.02 2ozaA1 PRO 227 HB2 -0.98 0.18 0.00 -0.04 2.28 1.44 2ozaA1 PRO 227 HB3 -1.44 -0.06 0.12 -0.04 2.02 0.61 2ozaA1 PRO 227 HG2 -0.13 0.05 0.06 -0.04 2.03 1.97 2ozaA1 PRO 227 HG3 -0.17 0.01 0.06 -0.04 2.03 1.90 2ozaA1 PRO 227 HD2 -0.08 0.15 0.17 -0.04 3.68 3.88 2ozaA1 PRO 227 HD3 -0.05 0.14 0.19 -0.04 3.65 3.90 2ozaA1 TYR 228 H -0.16 0.05 0.18 -0.55 8.29 7.82 2ozaA1 TYR 228 HA -0.08 0.14 0.56 -0.75 4.56 4.42 2ozaA1 TYR 228 HB2 -0.04 -0.08 0.15 -0.04 3.06 3.05 2ozaA1 TYR 228 HB3 -0.00 0.01 -0.01 -0.04 2.98 2.93 2ozaA1 TYR 228 HD2 -0.03 0.03 -0.02 -0.04 7.15 7.09 2ozaA1 TYR 228 HE2 -0.01 0.01 0.01 -0.04 6.85 6.82 2ozaA1 TYR 229 H -0.49 -0.06 -0.13 -0.55 8.29 7.07 2ozaA1 TYR 229 HA 0.06 0.10 0.35 -0.75 4.56 4.31 2ozaA1 TYR 229 HB2 0.03 0.08 -0.04 -0.04 3.06 3.09 2ozaA1 TYR 229 HB3 0.05 -0.02 0.03 -0.04 2.98 3.00 2ozaA1 TYR 229 HD2 0.03 0.04 -0.20 -0.04 7.15 6.98 2ozaA1 TYR 229 HE2 0.00 0.01 -0.02 -0.04 6.85 6.81 2ozaA1 VAL 230 H 0.16 0.08 0.12 -0.55 8.24 8.04 2ozaA1 VAL 230 HA 0.08 0.11 0.46 -0.75 4.13 4.02 2ozaA1 VAL 230 HB 0.05 0.01 0.08 -0.04 2.12 2.22 2ozaA1 VAL 230 HG13 0.05 -0.02 0.07 -0.04 0.97 1.04 2ozaA1 VAL 230 HG23 0.03 0.05 -0.08 -0.04 0.95 0.91 2ozaA1 ALA 231 H 0.07 0.11 0.13 -0.55 8.40 8.17 2ozaA1 ALA 231 HA 0.11 0.07 0.35 -0.75 4.34 4.11 2ozaA1 ALA 231 HB3 0.06 0.01 0.06 -0.04 1.41 1.50 2ozaA1 PRO 232 HA 0.02 0.05 0.62 -0.51 4.44 4.62 2ozaA1 PRO 232 HB2 0.01 0.07 -0.06 -0.04 2.28 2.26 2ozaA1 PRO 232 HB3 0.01 0.01 0.10 -0.04 2.02 2.09 2ozaA1 PRO 232 HG2 0.02 0.01 0.06 -0.04 2.03 2.09 2ozaA1 PRO 232 HG3 0.02 0.02 0.06 -0.04 2.03 2.09 2ozaA1 PRO 232 HD2 0.05 0.06 0.20 -0.04 3.68 3.95 2ozaA1 PRO 232 HD3 0.04 0.13 0.15 -0.04 3.65 3.93 2ozaA1 GLU 233 H 0.01 0.11 0.14 -0.55 8.60 8.31 2ozaA1 GLU 233 HA 0.01 0.08 0.54 -0.75 4.29 4.17 2ozaA1 GLU 233 HB2 0.01 0.05 0.06 -0.04 2.09 2.17 2ozaA1 GLU 233 HB3 0.01 -0.04 0.11 -0.04 1.99 2.03 2ozaA1 GLU 233 HG2 0.02 -0.02 -0.11 -0.04 2.34 2.18 2ozaA1 GLU 233 HG3 0.02 -0.06 -0.57 -0.04 2.34 1.69 2ozaA1 VAL 234 H 0.01 0.19 0.13 -0.55 8.24 8.02 2ozaA1 VAL 234 HA 0.01 0.11 0.79 -0.75 4.13 4.28 2ozaA1 VAL 234 HB -0.00 -0.03 0.15 -0.04 2.12 2.20 2ozaA1 VAL 234 HG13 -0.00 0.02 -0.09 -0.04 0.97 0.86 2ozaA1 VAL 234 HG23 0.01 0.03 -0.00 -0.04 0.95 0.94 2ozaA1 LEU 235 H 0.01 0.16 0.04 -0.55 8.37 8.03 2ozaA1 LEU 235 HA 0.03 0.03 0.32 -0.75 4.35 3.98 2ozaA1 LEU 235 HB2 0.01 -0.00 0.10 -0.04 1.64 1.71 2ozaA1 LEU 235 HB3 0.02 -0.01 0.01 -0.04 1.64 1.62 2ozaA1 LEU 235 HG 0.01 0.05 -0.01 -0.04 1.64 1.65 2ozaA1 LEU 235 HD13 0.00 0.00 0.01 -0.04 0.93 0.90 2ozaA1 LEU 235 HD23 0.01 0.00 -0.11 -0.04 0.89 0.76 2ozaA1 GLY 236 H 0.06 0.13 0.00 -0.55 8.43 8.07 2ozaA1 GLY 236 HA2 0.02 0.10 0.53 -0.51 4.01 4.15 2ozaA1 GLY 236 HA3 -0.00 0.09 0.34 -0.51 4.01 3.92 2ozaA1 PRO 237 HA 0.28 0.11 0.39 -0.51 4.44 4.71 2ozaA1 PRO 237 HB2 0.21 0.06 0.00 -0.04 2.28 2.51 2ozaA1 PRO 237 HB3 -0.04 0.08 0.09 -0.04 2.02 2.11 2ozaA1 PRO 237 HG2 0.07 0.10 0.05 -0.04 2.03 2.20 2ozaA1 PRO 237 HG3 0.02 0.05 0.06 -0.04 2.03 2.12 2ozaA1 PRO 237 HD2 0.08 0.14 0.13 -0.04 3.68 4.00 2ozaA1 PRO 237 HD3 0.05 0.12 0.02 -0.04 3.65 3.80 2ozaA1 GLU 238 H 0.09 0.14 -0.41 -0.55 8.60 7.87 2ozaA1 GLU 238 HA 0.17 0.09 0.25 -0.75 4.29 4.05 2ozaA1 GLU 238 HB2 0.01 0.07 0.04 -0.04 2.09 2.17 2ozaA1 GLU 238 HB3 0.03 -0.08 0.23 -0.04 1.99 2.13 2ozaA1 GLU 238 HG2 0.02 0.02 0.06 -0.04 2.34 2.40 2ozaA1 GLU 238 HG3 0.10 0.02 0.02 -0.04 2.34 2.44 2ozaA1 LYS 239 H 0.06 0.24 -0.90 -0.55 8.42 7.27 2ozaA1 LYS 239 HA -0.05 0.11 0.55 -0.75 4.32 4.17 2ozaA1 LYS 239 HB2 -0.15 -0.03 0.09 -0.04 1.87 1.75 2ozaA1 LYS 239 HB3 -0.10 0.11 0.10 -0.04 1.79 1.85 2ozaA1 LYS 239 HG2 -0.54 0.02 -0.02 -0.04 1.46 0.88 2ozaA1 LYS 239 HG3 -0.70 -0.01 -0.29 -0.04 1.46 0.42 2ozaA1 LYS 239 HD2 -0.38 -0.02 -0.00 -0.04 1.69 1.25 2ozaA1 LYS 239 HD3 -0.19 -0.06 0.02 -0.04 1.68 1.41 2ozaA1 LYS 239 HE2 -0.07 0.01 0.06 -0.04 2.99 2.94 2ozaA1 LYS 239 HE3 -0.04 0.04 -0.00 -0.04 2.99 2.94 2ozaA1 TYR 240 H 0.22 0.49 -0.01 -0.55 8.29 8.44 2ozaA1 TYR 240 HA -0.01 0.17 0.73 -0.75 4.56 4.69 2ozaA1 TYR 240 HB2 -0.02 -0.04 0.13 -0.04 3.06 3.09 2ozaA1 TYR 240 HB3 -0.05 0.30 0.29 -0.04 2.98 3.48 2ozaA1 TYR 240 HD2 -0.06 0.19 0.13 -0.04 7.15 7.37 2ozaA1 TYR 240 HE2 -0.06 -0.04 -0.02 -0.04 6.85 6.70 2ozaA1 ASP 241 H 0.08 0.22 -0.46 -0.55 8.40 7.70 2ozaA1 ASP 241 HA 0.10 0.16 0.37 -0.75 4.63 4.51 2ozaA1 ASP 241 HB2 0.03 0.02 0.20 -0.04 2.71 2.91 2ozaA1 ASP 241 HB3 0.02 0.02 0.02 -0.04 2.70 2.72 2ozaA1 LYS 242 H -0.04 0.24 0.07 -0.55 8.42 8.14 2ozaA1 LYS 242 HA -0.18 -0.00 0.33 -0.75 4.32 3.71 2ozaA1 LYS 242 HB2 -0.03 0.09 0.07 -0.04 1.87 1.96 2ozaA1 LYS 242 HB3 -0.17 -0.04 0.07 -0.04 1.79 1.62 2ozaA1 LYS 242 HG2 -0.52 0.01 -0.06 -0.04 1.46 0.85 2ozaA1 LYS 242 HG3 -0.13 0.04 0.05 -0.04 1.46 1.38 2ozaA1 LYS 242 HD2 -0.02 0.01 0.01 -0.04 1.69 1.65 2ozaA1 LYS 242 HD3 -0.19 -0.05 0.01 -0.04 1.68 1.40 2ozaA1 LYS 242 HE2 -0.11 0.01 -0.17 -0.04 2.99 2.67 2ozaA1 LYS 242 HE3 -0.03 0.10 -0.16 -0.04 2.99 2.86 2ozaA1 SER 243 H 0.04 0.15 -0.52 -0.55 8.46 7.58 2ozaA1 SER 243 HA 0.10 0.07 0.29 -0.75 4.49 4.20 2ozaA1 SER 243 HB2 0.02 0.06 0.13 -0.04 3.95 4.12 2ozaA1 SER 243 HB3 -0.00 0.08 0.11 -0.04 3.93 4.08 2ozaA1 CYS 244 H 0.10 0.50 -0.61 -0.55 8.50 7.94 2ozaA1 CYS 244 HA 0.14 0.13 0.54 -0.75 4.58 4.63 2ozaA1 CYS 244 HB2 0.08 0.46 0.18 -0.04 2.97 3.64 2ozaA1 CYS 244 HB3 0.10 -0.04 0.13 -0.04 2.97 3.11 2ozaA1 ASP 245 H 0.17 0.48 -0.03 -0.55 8.40 8.47 2ozaA1 ASP 245 HA 0.12 0.02 0.56 -0.75 4.63 4.58 2ozaA1 ASP 245 HB2 0.30 0.21 0.20 -0.04 2.71 3.38 2ozaA1 ASP 245 HB3 0.07 0.00 0.08 -0.04 2.70 2.81 2ozaA1 MET 246 H 0.14 0.29 -0.15 -0.55 8.47 8.20 2ozaA1 MET 246 HA -0.07 -0.00 0.53 -0.75 4.52 4.23 2ozaA1 MET 246 HB2 0.11 0.16 0.12 -0.04 2.15 2.50 2ozaA1 MET 246 HB3 0.05 0.06 0.03 -0.04 2.03 2.13 2ozaA1 MET 246 HG2 0.15 0.06 0.04 -0.04 2.63 2.83 2ozaA1 MET 246 HG3 0.08 0.30 0.14 -0.04 2.56 3.04 2ozaA1 MET 246 HE3 -0.19 0.02 -0.18 -0.04 2.10 1.71 2ozaA1 TRP 247 H 0.29 0.42 -0.16 -0.55 7.97 7.98 2ozaA1 TRP 247 HA 0.03 0.22 0.41 -0.75 4.62 4.52 2ozaA1 TRP 247 HB2 0.04 0.17 0.15 -0.04 3.23 3.54 2ozaA1 TRP 247 HB3 0.04 0.04 0.11 -0.04 3.23 3.37 2ozaA1 TRP 247 HD1 0.05 0.15 -0.01 -0.04 7.22 7.37 2ozaA1 TRP 247 HE1 0.15 0.01 -0.04 -0.04 10.20 10.28 2ozaA1 TRP 247 HE3 0.04 0.07 -0.19 -0.04 7.59 7.47 2ozaA1 TRP 247 HZ2 0.27 -0.02 -0.06 -0.04 7.44 7.59 2ozaA1 TRP 247 HZ3 0.06 0.00 -0.07 -0.04 7.13 7.08 2ozaA1 TRP 247 HH2 0.18 -0.05 -0.03 -0.04 7.19 7.26 2ozaA1 SER 248 H 0.29 0.43 -0.32 -0.55 8.46 8.32 2ozaA1 SER 248 HA -0.06 0.00 0.40 -0.75 4.49 4.08 2ozaA1 SER 248 HB2 0.08 -0.00 0.23 -0.04 3.95 4.22 2ozaA1 SER 248 HB3 0.03 -0.01 0.01 -0.04 3.93 3.92 2ozaA1 LEU 249 H -0.05 0.56 -0.25 -0.55 8.37 8.09 2ozaA1 LEU 249 HA -0.08 -0.07 0.28 -0.75 4.35 3.73 2ozaA1 LEU 249 HB2 -0.19 0.18 0.26 -0.04 1.64 1.85 2ozaA1 LEU 249 HB3 -0.25 0.00 -0.05 -0.04 1.64 1.30 2ozaA1 LEU 249 HG -0.49 -0.02 -0.04 -0.04 1.64 1.04 2ozaA1 LEU 249 HD13 -0.14 -0.01 -0.07 -0.04 0.93 0.67 2ozaA1 LEU 249 HD23 -0.63 -0.01 -0.07 -0.04 0.89 0.13 2ozaA1 GLY 250 H -0.11 0.62 -0.23 -0.55 8.43 8.15 2ozaA1 GLY 250 HA2 -0.02 -0.06 0.39 -0.51 4.01 3.81 2ozaA1 GLY 250 HA3 -0.16 0.13 0.22 -0.51 4.01 3.69 2ozaA1 VAL 251 H -0.50 0.61 -0.08 -0.55 8.24 7.72 2ozaA1 VAL 251 HA -0.39 -0.00 0.22 -0.75 4.13 3.20 2ozaA1 VAL 251 HB -0.53 0.11 0.14 -0.04 2.12 1.80 2ozaA1 VAL 251 HG13 -0.38 -0.04 -0.11 -0.04 0.97 0.40 2ozaA1 VAL 251 HG23 -1.39 0.04 0.01 -0.04 0.95 -0.43 2ozaA1 ILE 252 H -0.09 0.69 -0.14 -0.55 8.25 8.16 2ozaA1 ILE 252 HA 0.16 -0.03 0.48 -0.75 4.18 4.04 2ozaA1 ILE 252 HB 0.07 0.12 0.05 -0.04 1.89 2.09 2ozaA1 ILE 252 HG12 0.16 -0.10 -0.06 -0.04 1.49 1.44 2ozaA1 ILE 252 HG13 0.02 0.22 -0.02 -0.04 1.21 1.39 2ozaA1 ILE 252 HG23 0.28 -0.02 -0.20 -0.04 0.93 0.94 2ozaA1 ILE 252 HD13 0.10 -0.03 -0.26 -0.04 0.88 0.65 2ozaA1 MET 253 H 0.08 0.64 -0.07 -0.55 8.47 8.58 2ozaA1 MET 253 HA 0.20 -0.04 0.32 -0.75 4.52 4.24 2ozaA1 MET 253 HB2 0.18 0.02 0.09 -0.04 2.15 2.39 2ozaA1 MET 253 HB3 0.10 0.22 0.15 -0.04 2.03 2.45 2ozaA1 MET 253 HG2 0.05 -0.02 -0.28 -0.04 2.63 2.34 2ozaA1 MET 253 HG3 0.12 -0.05 -0.04 -0.04 2.56 2.55 2ozaA1 MET 253 HE3 -0.65 -0.01 -0.08 -0.04 2.10 1.32 2ozaA1 TYR 254 H 0.16 0.47 -0.49 -0.55 8.29 7.87 2ozaA1 TYR 254 HA 0.30 0.01 0.38 -0.75 4.56 4.50 2ozaA1 TYR 254 HB2 -0.10 0.06 0.02 -0.04 3.06 3.00 2ozaA1 TYR 254 HB3 -0.15 0.14 0.11 -0.04 2.98 3.04 2ozaA1 TYR 254 HD2 -0.22 0.01 -0.19 -0.04 7.15 6.71 2ozaA1 TYR 254 HE2 -0.81 0.08 -0.30 -0.04 6.85 5.78 2ozaA1 ILE 255 H 0.16 0.51 -0.03 -0.55 8.25 8.35 2ozaA1 ILE 255 HA 0.04 0.03 0.34 -0.75 4.18 3.84 2ozaA1 ILE 255 HB 0.20 0.09 0.08 -0.04 1.89 2.22 2ozaA1 ILE 255 HG12 -0.03 -0.06 -0.21 -0.04 1.49 1.16 2ozaA1 ILE 255 HG13 -0.02 0.49 0.17 -0.04 1.21 1.80 2ozaA1 ILE 255 HG23 0.04 -0.03 -0.22 -0.04 0.93 0.68 2ozaA1 ILE 255 HD13 -0.19 -0.03 -0.06 -0.04 0.88 0.56 2ozaA1 LEU 256 H 0.28 0.75 -0.25 -0.55 8.37 8.60 2ozaA1 LEU 256 HA 0.39 -0.05 0.24 -0.75 4.35 4.17 2ozaA1 LEU 256 HB2 0.23 0.20 0.08 -0.04 1.64 2.10 2ozaA1 LEU 256 HB3 0.26 -0.06 -0.10 -0.04 1.64 1.70 2ozaA1 LEU 256 HG 0.24 0.04 -0.14 -0.04 1.64 1.74 2ozaA1 LEU 256 HD13 0.17 -0.02 -0.11 -0.04 0.93 0.93 2ozaA1 LEU 256 HD23 0.07 -0.03 -0.07 -0.04 0.89 0.81 2ozaA1 LEU 257 H -0.02 0.42 -0.52 -0.55 8.37 7.71 2ozaA1 LEU 257 HA -0.18 0.08 0.63 -0.75 4.35 4.12 2ozaA1 LEU 257 HB2 -0.44 0.12 0.03 -0.04 1.64 1.30 2ozaA1 LEU 257 HB3 -0.70 -0.09 0.11 -0.04 1.64 0.92 2ozaA1 LEU 257 HG 0.04 0.22 -0.04 -0.04 1.64 1.81 2ozaA1 LEU 257 HD13 -0.09 -0.03 -0.07 -0.04 0.93 0.70 2ozaA1 LEU 257 HD23 0.02 -0.01 -0.11 -0.04 0.89 0.75 2ozaA1 CYS 258 H -0.21 0.27 -0.18 -0.55 8.50 7.83 2ozaA1 CYS 258 HA -0.38 -0.03 0.55 -0.75 4.58 3.97 2ozaA1 CYS 258 HB2 -0.62 -0.07 0.05 -0.04 2.97 2.29 2ozaA1 CYS 258 HB3 -1.28 0.06 -0.29 -0.04 2.97 1.41 2ozaA1 GLY 259 H -0.07 0.67 0.29 -0.55 8.43 8.78 2ozaA1 GLY 259 HA2 0.07 0.02 0.30 -0.51 4.01 3.89 2ozaA1 GLY 259 HA3 0.08 0.10 0.56 -0.51 4.01 4.24 2ozaA1 TYR 260 H -0.24 0.15 -0.14 -0.55 8.29 7.51 2ozaA1 TYR 260 HA 0.12 0.13 0.53 -0.75 4.56 4.59 2ozaA1 TYR 260 HB2 0.08 0.16 -0.02 -0.04 3.06 3.24 2ozaA1 TYR 260 HB3 0.08 0.06 -0.12 -0.04 2.98 2.96 2ozaA1 TYR 260 HD2 0.08 0.13 -0.38 -0.04 7.15 6.95 2ozaA1 TYR 260 HE2 0.08 -0.06 -0.11 -0.04 6.85 6.72 2ozaA1 PRO 261 HA -0.25 0.12 0.33 -0.51 4.44 4.13 2ozaA1 PRO 261 HB2 -1.36 -0.14 0.09 -0.04 2.28 0.83 2ozaA1 PRO 261 HB3 -0.65 0.03 0.14 -0.04 2.02 1.49 2ozaA1 PRO 261 HG2 0.05 0.10 0.09 -0.04 2.03 2.23 2ozaA1 PRO 261 HG3 0.08 0.01 0.13 -0.04 2.03 2.21 2ozaA1 PRO 261 HD2 0.21 0.23 0.20 -0.04 3.68 4.28 2ozaA1 PRO 261 HD3 0.11 0.11 0.20 -0.04 3.65 4.02 2ozaA1 PRO 262 HA -0.91 0.09 0.69 -0.51 4.44 3.80 2ozaA1 PRO 262 HB2 -1.31 0.02 0.09 -0.04 2.28 1.04 2ozaA1 PRO 262 HB3 -1.91 0.02 0.08 -0.04 2.02 0.17 2ozaA1 PRO 262 HG2 -0.76 0.03 -0.02 -0.04 2.03 1.23 2ozaA1 PRO 262 HG3 -0.75 0.04 0.03 -0.04 2.03 1.31 2ozaA1 PRO 262 HD2 -1.00 0.04 0.22 -0.04 3.68 2.90 2ozaA1 PRO 262 HD3 -0.47 0.16 0.17 -0.04 3.65 3.47 2ozaA1 PHE 263 H -0.58 -0.10 -0.57 -0.55 8.34 6.54 2ozaA1 PHE 263 HA -0.13 0.02 0.32 -0.75 4.62 4.08 2ozaA1 PHE 263 HB2 -0.00 0.03 -0.00 -0.04 3.15 3.13 2ozaA1 PHE 263 HB3 0.06 0.01 0.08 -0.04 3.06 3.18 2ozaA1 PHE 263 HD2 0.01 0.04 -0.03 -0.04 7.28 7.26 2ozaA1 PHE 263 HE2 0.07 0.07 0.03 -0.04 7.38 7.50 2ozaA1 PHE 263 HZ 0.03 -0.03 0.01 -0.04 7.32 7.29 2ozaA1 TYR 264 H 0.48 0.02 0.10 -0.55 8.29 8.33 2ozaA1 TYR 264 HA 0.07 0.16 0.54 -0.75 4.56 4.58 2ozaA1 TYR 264 HB2 0.10 -0.05 -0.01 -0.04 3.06 3.05 2ozaA1 TYR 264 HB3 0.07 0.03 0.06 -0.04 2.98 3.09 2ozaA1 TYR 264 HD2 0.19 -0.03 0.00 -0.04 7.15 7.27 2ozaA1 TYR 264 HE2 0.08 -0.00 -0.04 -0.04 6.85 6.85 2ozaA1 SER 265 H 0.23 0.20 0.10 -0.55 8.46 8.45 2ozaA1 SER 265 HA 0.11 0.18 0.82 -0.75 4.49 4.85 2ozaA1 SER 265 HB2 0.12 -0.19 -0.00 -0.04 3.95 3.83 2ozaA1 SER 265 HB3 0.10 0.09 -0.02 -0.04 3.93 4.05 2ozaA1 ASN 266 H 0.05 0.17 0.12 -0.55 8.53 8.32 2ozaA1 ASN 266 HA -0.01 0.13 0.49 -0.75 4.76 4.61 2ozaA1 ASN 266 HB2 -0.07 -0.03 0.14 -0.04 2.88 2.88 2ozaA1 ASN 266 HB3 -0.15 0.03 -0.04 -0.04 2.79 2.60 2ozaA1 ASN 266 HD21 -0.04 0.02 0.00 -0.04 7.03 6.98 2ozaA1 ASN 266 HD22 -0.04 -0.01 0.03 -0.04 7.74 7.69 2ozaA1 HIS 267 H 0.12 0.06 -0.13 -0.55 8.41 7.91 2ozaA1 HIS 267 HA 0.01 0.08 0.19 -0.75 4.63 4.16 2ozaA1 HIS 267 HB2 0.02 -0.02 0.04 -0.04 3.26 3.27 2ozaA1 HIS 267 HB3 0.02 0.03 0.02 -0.04 3.20 3.22 2ozaA1 HIS 267 HD2 0.01 0.02 0.03 -0.04 6.97 6.98 2ozaA1 HIS 267 HE1 0.01 0.00 -0.01 -0.04 7.75 7.71 2ozaA1 GLY 268 H 0.09 0.20 -0.67 -0.55 8.43 7.51 2ozaA1 GLY 268 HA2 0.06 0.06 0.23 -0.51 4.01 3.85 2ozaA1 GLY 268 HA3 0.07 0.17 0.87 -0.51 4.01 4.61 2ozaA1 LEU 269 H 0.06 0.15 0.04 -0.55 8.37 8.07 2ozaA1 LEU 269 HA 0.09 0.11 0.10 -0.75 4.35 3.90 2ozaA1 LEU 269 HB2 0.05 0.03 0.07 -0.04 1.64 1.75 2ozaA1 LEU 269 HB3 0.06 0.01 0.07 -0.04 1.64 1.74 2ozaA1 LEU 269 HG 0.04 -0.02 0.08 -0.04 1.64 1.69 2ozaA1 LEU 269 HD13 0.03 0.01 -0.00 -0.04 0.93 0.92 2ozaA1 LEU 269 HD23 0.03 0.00 0.02 -0.04 0.89 0.91 2ozaA1 ARG 278 HA -0.03 -0.01 0.12 -0.75 4.34 3.66 2ozaA1 ARG 278 HB2 -0.02 -0.01 0.05 -0.04 1.90 1.88 2ozaA1 ARG 278 HB3 -0.02 -0.03 0.09 -0.04 1.80 1.80 2ozaA1 ARG 278 HG2 -0.04 -0.03 0.04 -0.04 1.67 1.60 2ozaA1 ARG 278 HG3 -0.03 0.03 -0.05 -0.04 1.67 1.58 2ozaA1 ARG 278 HD2 -0.01 -0.00 0.00 -0.04 3.22 3.17 2ozaA1 ARG 278 HD3 -0.02 -0.02 0.02 -0.04 3.22 3.16 2ozaA1 ILE 279 H -0.04 0.14 0.05 -0.55 8.25 7.85 2ozaA1 ILE 279 HA -0.07 0.03 0.21 -0.75 4.18 3.59 2ozaA1 ILE 279 HB -0.04 0.01 0.10 -0.04 1.89 1.92 2ozaA1 ILE 279 HG12 -0.02 0.04 -0.26 -0.04 1.49 1.22 2ozaA1 ILE 279 HG13 -0.01 0.03 0.17 -0.04 1.21 1.35 2ozaA1 ILE 279 HG23 -0.06 -0.00 -0.26 -0.04 0.93 0.56 2ozaA1 ILE 279 HD13 0.02 -0.01 0.03 -0.04 0.88 0.88 2ozaA1 ARG 280 H -0.12 0.19 0.09 -0.55 8.46 8.07 2ozaA1 ARG 280 HA -0.77 0.22 0.71 -0.75 4.34 3.75 2ozaA1 ARG 280 HB2 -0.08 -0.02 0.08 -0.04 1.90 1.84 2ozaA1 ARG 280 HB3 -0.09 -0.02 0.19 -0.04 1.80 1.85 2ozaA1 ARG 280 HG2 -0.09 0.03 -0.17 -0.04 1.67 1.40 2ozaA1 ARG 280 HG3 -0.05 -0.03 -0.02 -0.04 1.67 1.52 2ozaA1 ARG 280 HD2 -0.49 -0.01 0.03 -0.04 3.22 2.72 2ozaA1 ARG 280 HD3 -0.30 0.29 -0.57 -0.04 3.22 2.59 2ozaA1 MET 281 H -0.13 0.09 -0.29 -0.55 8.47 7.60 2ozaA1 MET 281 HA 0.14 0.20 0.25 -0.75 4.52 4.36 2ozaA1 MET 281 HB2 0.06 0.40 -0.13 -0.04 2.15 2.44 2ozaA1 MET 281 HB3 0.05 -0.03 -0.24 -0.04 2.03 1.78 2ozaA1 MET 281 HG2 -0.00 -0.01 0.01 -0.04 2.63 2.58 2ozaA1 MET 281 HG3 0.07 -0.16 -0.18 -0.04 2.56 2.25 2ozaA1 MET 281 HE3 -0.01 0.01 -0.02 -0.04 2.10 2.05 2ozaA1 GLY 282 H 0.32 0.35 -0.01 -0.55 8.43 8.54 2ozaA1 GLY 282 HA2 0.02 -0.04 0.52 -0.51 4.01 4.00 2ozaA1 GLY 282 HA3 -0.01 0.16 0.37 -0.51 4.01 4.01 2ozaA1 GLN 283 H -0.15 0.12 0.11 -0.55 8.47 7.99 2ozaA1 GLN 283 HA -0.69 0.14 0.40 -0.75 4.36 3.45 2ozaA1 GLN 283 HB2 -0.14 -0.05 0.13 -0.04 2.15 2.05 2ozaA1 GLN 283 HB3 -0.22 0.00 0.19 -0.04 2.02 1.95 2ozaA1 GLN 283 HG2 0.01 -0.04 0.03 -0.04 2.40 2.37 2ozaA1 GLN 283 HG3 -0.41 -0.02 0.03 -0.04 2.39 1.95 2ozaA1 GLN 283 HE21 -0.01 0.06 0.05 -0.04 6.97 7.03 2ozaA1 GLN 283 HE22 -0.03 -0.07 0.05 -0.04 7.69 7.60 2ozaA1 TYR 284 H -0.62 0.91 -0.57 -0.55 8.29 7.47 2ozaA1 TYR 284 HA -0.50 0.04 0.21 -0.75 4.56 3.55 2ozaA1 TYR 284 HB2 -0.20 0.20 0.29 -0.04 3.06 3.30 2ozaA1 TYR 284 HB3 -0.22 -0.06 0.19 -0.04 2.98 2.85 2ozaA1 TYR 284 HD2 -0.26 -0.05 -0.22 -0.04 7.15 6.58 2ozaA1 TYR 284 HE2 0.22 -0.07 -0.05 -0.04 6.85 6.92 2ozaA1 GLU 285 H -0.33 -0.05 -0.41 -0.55 8.60 7.26 2ozaA1 GLU 285 HA -0.41 0.22 0.65 -0.75 4.29 4.00 2ozaA1 GLU 285 HB2 -0.12 -0.10 -0.08 -0.04 2.09 1.74 2ozaA1 GLU 285 HB3 -0.08 -0.08 -0.00 -0.04 1.99 1.78 2ozaA1 GLU 285 HG2 -0.08 0.07 -0.12 -0.04 2.34 2.17 2ozaA1 GLU 285 HG3 -0.11 0.15 -0.46 -0.04 2.34 1.88 2ozaA1 PHE 286 H -0.04 0.15 -0.04 -0.55 8.34 7.86 2ozaA1 PHE 286 HA -0.83 0.26 0.77 -0.75 4.62 4.07 2ozaA1 PHE 286 HB2 -0.21 -0.02 0.12 -0.04 3.15 3.00 2ozaA1 PHE 286 HB3 -0.43 0.03 0.01 -0.04 3.06 2.63 2ozaA1 PHE 286 HD2 -1.94 0.00 -0.09 -0.04 7.28 5.21 2ozaA1 PHE 286 HE2 -0.53 0.02 -0.13 -0.04 7.38 6.70 2ozaA1 PHE 286 HZ -0.26 0.08 -0.08 -0.04 7.32 7.02 2ozaA1 PRO 287 HA 0.14 -0.00 0.30 -0.51 4.44 4.37 2ozaA1 PRO 287 HB2 0.26 0.05 -0.01 -0.04 2.28 2.54 2ozaA1 PRO 287 HB3 0.11 0.05 0.01 -0.04 2.02 2.14 2ozaA1 PRO 287 HG2 0.27 0.06 -0.15 -0.04 2.03 2.17 2ozaA1 PRO 287 HG3 0.09 -0.02 -0.11 -0.04 2.03 1.95 2ozaA1 PRO 287 HD2 0.46 0.12 0.09 -0.04 3.68 4.31 2ozaA1 PRO 287 HD3 -0.01 0.39 -0.45 -0.04 3.65 3.55 2ozaA1 ASN 288 H 0.12 0.13 0.16 -0.55 8.53 8.39 2ozaA1 ASN 288 HA 0.11 -0.13 0.40 -0.75 4.76 4.39 2ozaA1 ASN 288 HB2 0.06 0.01 0.09 -0.04 2.88 3.01 2ozaA1 ASN 288 HB3 0.06 0.01 0.04 -0.04 2.79 2.86 2ozaA1 ASN 288 HD21 0.06 0.05 0.01 -0.04 7.03 7.11 2ozaA1 ASN 288 HD22 0.05 -0.02 0.02 -0.04 7.74 7.75 2ozaA1 PRO 289 HA 0.03 0.02 0.37 -0.51 4.44 4.35 2ozaA1 PRO 289 HB2 0.10 0.03 0.01 -0.04 2.28 2.38 2ozaA1 PRO 289 HB3 0.05 0.04 0.09 -0.04 2.02 2.16 2ozaA1 PRO 289 HG2 -0.14 0.03 0.09 -0.04 2.03 1.96 2ozaA1 PRO 289 HG3 0.04 0.05 0.10 -0.04 2.03 2.19 2ozaA1 PRO 289 HD2 -0.04 0.11 0.06 -0.04 3.68 3.77 2ozaA1 PRO 289 HD3 0.01 0.17 0.54 -0.04 3.65 4.32 2ozaA1 GLU 290 H -0.21 0.34 0.13 -0.55 8.60 8.31 2ozaA1 GLU 290 HA -0.80 -0.00 0.35 -0.75 4.29 3.08 2ozaA1 GLU 290 HB2 -0.37 0.11 0.15 -0.04 2.09 1.93 2ozaA1 GLU 290 HB3 -0.56 0.03 0.20 -0.04 1.99 1.62 2ozaA1 GLU 290 HG2 -0.11 0.13 0.10 -0.04 2.34 2.41 2ozaA1 GLU 290 HG3 -0.91 -0.10 0.11 -0.04 2.34 1.40 2ozaA1 TRP 291 H 0.13 0.35 -0.25 -0.55 7.97 7.66 2ozaA1 TRP 291 HA -0.07 0.11 0.51 -0.75 4.62 4.42 2ozaA1 TRP 291 HB2 0.07 0.11 -0.59 -0.04 3.23 2.78 2ozaA1 TRP 291 HB3 0.04 0.02 -0.01 -0.04 3.23 3.24 2ozaA1 TRP 291 HD1 0.06 0.13 -0.14 -0.04 7.22 7.23 2ozaA1 TRP 291 HE1 -0.73 0.04 -0.09 -0.04 10.20 9.38 2ozaA1 TRP 291 HE3 -0.21 0.01 -0.04 -0.04 7.59 7.31 2ozaA1 TRP 291 HZ2 -1.49 0.13 -0.07 -0.04 7.44 5.97 2ozaA1 TRP 291 HZ3 -0.25 -0.07 -0.12 -0.04 7.13 6.65 2ozaA1 TRP 291 HH2 -0.22 0.02 -0.08 -0.04 7.19 6.86 2ozaA1 SER 292 H 0.05 0.36 -0.68 -0.55 8.46 7.64 2ozaA1 SER 292 HA 0.08 0.06 0.42 -0.75 4.49 4.30 2ozaA1 SER 292 HB2 0.05 0.15 0.14 -0.04 3.95 4.25 2ozaA1 SER 292 HB3 0.04 -0.03 0.03 -0.04 3.93 3.93 2ozaA1 GLU 293 H 0.02 0.22 -0.07 -0.55 8.60 8.22 2ozaA1 GLU 293 HA 0.01 0.10 0.52 -0.75 4.29 4.17 2ozaA1 GLU 293 HB2 0.00 0.10 0.15 -0.04 2.09 2.30 2ozaA1 GLU 293 HB3 -0.01 -0.05 -0.00 -0.04 1.99 1.89 2ozaA1 GLU 293 HG2 0.03 -0.03 -0.05 -0.04 2.34 2.25 2ozaA1 GLU 293 HG3 0.02 0.01 0.03 -0.04 2.34 2.35 2ozaA1 VAL 294 H -0.03 0.11 -0.10 -0.55 8.24 7.67 2ozaA1 VAL 294 HA -0.03 -0.07 0.36 -0.75 4.13 3.64 2ozaA1 VAL 294 HB 0.16 0.04 0.08 -0.04 2.12 2.36 2ozaA1 VAL 294 HG13 0.12 0.03 -0.14 -0.04 0.97 0.95 2ozaA1 VAL 294 HG23 -0.40 0.03 0.10 -0.04 0.95 0.64 2ozaA1 SER 295 H 0.00 0.03 0.20 -0.55 8.46 8.15 2ozaA1 SER 295 HA -0.01 0.16 0.38 -0.75 4.49 4.26 2ozaA1 SER 295 HB2 0.04 0.13 0.20 -0.04 3.95 4.28 2ozaA1 SER 295 HB3 -0.02 -0.05 0.15 -0.04 3.93 3.98 2ozaA1 GLU 296 H -0.04 0.17 0.20 -0.55 8.60 8.39 2ozaA1 GLU 296 HA -0.17 0.24 0.70 -0.75 4.29 4.30 2ozaA1 GLU 296 HB2 -0.05 0.04 0.15 -0.04 2.09 2.19 2ozaA1 GLU 296 HB3 -0.06 -0.01 0.03 -0.04 1.99 1.92 2ozaA1 GLU 296 HG2 -0.13 0.10 0.07 -0.04 2.34 2.34 2ozaA1 GLU 296 HG3 -0.05 0.03 0.04 -0.04 2.34 2.32 2ozaA1 GLU 297 H -0.05 0.05 -0.18 -0.55 8.60 7.87 2ozaA1 GLU 297 HA -0.01 0.16 0.53 -0.75 4.29 4.20 2ozaA1 GLU 297 HB2 0.04 0.02 -0.01 -0.04 2.09 2.09 2ozaA1 GLU 297 HB3 0.05 0.06 0.04 -0.04 1.99 2.10 2ozaA1 GLU 297 HG2 -0.00 -0.15 0.09 -0.04 2.34 2.24 2ozaA1 GLU 297 HG3 0.03 0.07 0.03 -0.04 2.34 2.43 2ozaA1 VAL 298 H -0.18 0.09 -0.25 -0.55 8.24 7.34 2ozaA1 VAL 298 HA -0.49 0.06 0.35 -0.75 4.13 3.30 2ozaA1 VAL 298 HB -0.28 0.22 -0.02 -0.04 2.12 2.00 2ozaA1 VAL 298 HG13 -0.53 0.02 -0.18 -0.04 0.97 0.24 2ozaA1 VAL 298 HG23 -0.97 -0.02 0.01 -0.04 0.95 -0.07 2ozaA1 LYS 299 H -0.29 0.19 -0.51 -0.55 8.42 7.26 2ozaA1 LYS 299 HA -0.51 0.06 0.24 -0.75 4.32 3.36 2ozaA1 LYS 299 HB2 -0.42 0.09 0.09 -0.04 1.87 1.59 2ozaA1 LYS 299 HB3 -0.84 0.01 -0.05 -0.04 1.79 0.86 2ozaA1 LYS 299 HG2 -2.63 -0.02 -0.06 -0.04 1.46 -1.29 2ozaA1 LYS 299 HG3 -0.59 0.07 -0.03 -0.04 1.46 0.88 2ozaA1 LYS 299 HD2 -0.37 -0.09 0.03 -0.04 1.69 1.21 2ozaA1 LYS 299 HD3 -0.77 -0.06 -0.02 -0.04 1.68 0.80 2ozaA1 LYS 299 HE2 -0.07 -0.11 -0.03 -0.04 2.99 2.74 2ozaA1 LYS 299 HE3 -0.11 0.27 -0.19 -0.04 2.99 2.91 2ozaA1 MET 300 H -0.14 0.34 -0.29 -0.55 8.47 7.84 2ozaA1 MET 300 HA -0.03 0.03 0.33 -0.75 4.52 4.10 2ozaA1 MET 300 HB2 -0.04 0.07 0.16 -0.04 2.15 2.30 2ozaA1 MET 300 HB3 -0.01 0.07 0.03 -0.04 2.03 2.08 2ozaA1 MET 300 HG2 0.00 -0.03 0.02 -0.04 2.63 2.59 2ozaA1 MET 300 HG3 0.00 -0.01 -0.02 -0.04 2.56 2.49 2ozaA1 MET 300 HE3 0.00 -0.00 -0.01 -0.04 2.10 2.06 2ozaA1 LEU 301 H -0.17 0.32 -0.60 -0.55 8.37 7.37 2ozaA1 LEU 301 HA -0.20 0.01 0.40 -0.75 4.35 3.80 2ozaA1 LEU 301 HB2 -0.37 0.07 0.15 -0.04 1.64 1.45 2ozaA1 LEU 301 HB3 -0.24 0.02 0.06 -0.04 1.64 1.44 2ozaA1 LEU 301 HG -1.47 -0.05 -0.03 -0.04 1.64 0.05 2ozaA1 LEU 301 HD13 -0.25 -0.00 -0.10 -0.04 0.93 0.53 2ozaA1 LEU 301 HD23 -0.15 -0.00 -0.09 -0.04 0.89 0.60 2ozaA1 ILE 302 H -0.09 0.50 0.04 -0.55 8.25 8.15 2ozaA1 ILE 302 HA 0.01 -0.00 0.37 -0.75 4.18 3.80 2ozaA1 ILE 302 HB 0.18 0.11 0.06 -0.04 1.89 2.19 2ozaA1 ILE 302 HG12 0.09 0.02 -0.04 -0.04 1.49 1.51 2ozaA1 ILE 302 HG13 -0.03 0.04 0.00 -0.04 1.21 1.18 2ozaA1 ILE 302 HG23 0.04 0.00 -0.19 -0.04 0.93 0.74 2ozaA1 ILE 302 HD13 0.29 -0.01 -0.15 -0.04 0.88 0.97 2ozaA1 ARG 303 H 0.03 0.42 -0.64 -0.55 8.46 7.73 2ozaA1 ARG 303 HA 0.03 0.05 0.35 -0.75 4.34 4.01 2ozaA1 ARG 303 HB2 0.03 0.12 0.06 -0.04 1.90 2.07 2ozaA1 ARG 303 HB3 0.03 -0.05 -0.06 -0.04 1.80 1.67 2ozaA1 ARG 303 HG2 0.05 0.01 -0.06 -0.04 1.67 1.64 2ozaA1 ARG 303 HG3 0.21 0.12 -0.08 -0.04 1.67 1.87 2ozaA1 ARG 303 HD2 0.07 -0.05 -0.12 -0.04 3.22 3.07 2ozaA1 ARG 303 HD3 0.04 -0.03 -0.05 -0.04 3.22 3.14 2ozaA1 ASN 304 H 0.00 0.51 0.02 -0.55 8.53 8.51 2ozaA1 ASN 304 HA 0.03 0.06 0.56 -0.75 4.76 4.65 2ozaA1 ASN 304 HB2 0.01 0.06 0.14 -0.04 2.88 3.05 2ozaA1 ASN 304 HB3 0.03 -0.08 0.09 -0.04 2.79 2.79 2ozaA1 ASN 304 HD21 0.01 -0.08 -0.03 -0.04 7.03 6.89 2ozaA1 ASN 304 HD22 -0.01 -0.06 -0.03 -0.04 7.74 7.60 2ozaA1 LEU 305 H 0.03 0.45 -0.32 -0.55 8.37 7.98 2ozaA1 LEU 305 HA 0.07 0.02 0.57 -0.75 4.35 4.25 2ozaA1 LEU 305 HB2 0.02 0.12 0.07 -0.04 1.64 1.81 2ozaA1 LEU 305 HB3 0.01 0.02 -0.01 -0.04 1.64 1.62 2ozaA1 LEU 305 HG 0.12 -0.01 -0.13 -0.04 1.64 1.58 2ozaA1 LEU 305 HD13 0.23 -0.03 -0.25 -0.04 0.93 0.84 2ozaA1 LEU 305 HD23 0.07 0.01 -0.08 -0.04 0.89 0.85 2ozaA1 LEU 306 H 0.04 0.32 -0.17 -0.55 8.37 8.01 2ozaA1 LEU 306 HA 0.23 0.14 0.60 -0.75 4.35 4.57 2ozaA1 LEU 306 HB2 0.06 0.04 0.06 -0.04 1.64 1.76 2ozaA1 LEU 306 HB3 0.22 -0.07 0.10 -0.04 1.64 1.86 2ozaA1 LEU 306 HG -0.11 0.05 -0.04 -0.04 1.64 1.50 2ozaA1 LEU 306 HD13 -0.20 -0.03 -0.12 -0.04 0.93 0.55 2ozaA1 LEU 306 HD23 -0.44 -0.01 -0.06 -0.04 0.89 0.33 2ozaA1 LYS 307 H 0.08 0.09 -0.73 -0.55 8.42 7.31 2ozaA1 LYS 307 HA 0.03 -0.03 0.40 -0.75 4.32 3.97 2ozaA1 LYS 307 HB2 0.05 0.12 -0.00 -0.04 1.87 2.00 2ozaA1 LYS 307 HB3 0.03 -0.12 -0.14 -0.04 1.79 1.53 2ozaA1 LYS 307 HG2 0.01 -0.10 0.03 -0.04 1.46 1.36 2ozaA1 LYS 307 HG3 0.03 0.17 0.09 -0.04 1.46 1.71 2ozaA1 LYS 307 HD2 0.03 0.12 -0.18 -0.04 1.69 1.61 2ozaA1 LYS 307 HD3 0.01 -0.07 -0.06 -0.04 1.68 1.52 2ozaA1 LYS 307 HE2 0.01 -0.06 0.00 -0.04 2.99 2.90 2ozaA1 LYS 307 HE3 0.02 -0.02 0.06 -0.04 2.99 3.01 2ozaA1 THR 308 H 0.00 0.07 0.18 -0.55 8.28 7.98 2ozaA1 THR 308 HA 0.02 0.13 0.24 -0.75 4.39 4.02 2ozaA1 THR 308 HB -0.04 -0.02 0.16 -0.04 4.32 4.39 2ozaA1 THR 308 HG23 -0.03 -0.04 -0.18 -0.04 1.22 0.93 2ozaA1 GLU 309 H 0.00 -0.01 -0.42 -0.55 8.60 7.63 2ozaA1 GLU 309 HA -0.03 0.19 0.54 -0.75 4.29 4.24 2ozaA1 GLU 309 HB2 -0.02 0.04 0.01 -0.04 2.09 2.07 2ozaA1 GLU 309 HB3 -0.01 0.00 0.07 -0.04 1.99 2.01 2ozaA1 GLU 309 HG2 -0.02 0.07 -0.01 -0.04 2.34 2.33 2ozaA1 GLU 309 HG3 -0.03 -0.37 -0.30 -0.04 2.34 1.60 2ozaA1 PRO 310 HA -0.05 0.17 0.32 -0.51 4.44 4.38 2ozaA1 PRO 310 HB2 -0.30 -0.07 0.05 -0.04 2.28 1.92 2ozaA1 PRO 310 HB3 -0.28 0.12 0.05 -0.04 2.02 1.87 2ozaA1 PRO 310 HG2 -0.47 -0.02 0.07 -0.04 2.03 1.57 2ozaA1 PRO 310 HG3 -0.14 0.16 0.09 -0.04 2.03 2.10 2ozaA1 PRO 310 HD2 -0.11 -0.01 0.21 -0.04 3.68 3.73 2ozaA1 PRO 310 HD3 -0.06 0.36 0.37 -0.04 3.65 4.28 2ozaA1 THR 311 H -0.08 0.07 -0.06 -0.55 8.28 7.66 2ozaA1 THR 311 HA -0.03 0.11 0.50 -0.75 4.39 4.21 2ozaA1 THR 311 HB -0.02 0.08 0.06 -0.04 4.32 4.40 2ozaA1 THR 311 HG23 -0.06 -0.01 0.07 -0.04 1.22 1.17 2ozaA1 GLN 312 H -0.02 0.03 -0.34 -0.55 8.47 7.60 2ozaA1 GLN 312 HA 0.00 0.05 0.39 -0.75 4.36 4.04 2ozaA1 GLN 312 HB2 -0.01 -0.10 0.05 -0.04 2.15 2.05 2ozaA1 GLN 312 HB3 -0.00 0.05 -0.00 -0.04 2.02 2.02 2ozaA1 GLN 312 HG2 0.00 0.02 0.07 -0.04 2.40 2.45 2ozaA1 GLN 312 HG3 -0.01 -0.01 0.06 -0.04 2.39 2.39 2ozaA1 GLN 312 HE21 -0.01 -0.02 -0.01 -0.04 6.97 6.88 2ozaA1 GLN 312 HE22 -0.01 0.01 -0.00 -0.04 7.69 7.65 2ozaA1 ARG 313 H 0.01 0.17 -0.52 -0.55 8.46 7.56 2ozaA1 ARG 313 HA 0.04 0.04 0.28 -0.75 4.34 3.95 2ozaA1 ARG 313 HB2 0.06 0.08 -0.04 -0.04 1.90 1.96 2ozaA1 ARG 313 HB3 0.04 0.07 0.07 -0.04 1.80 1.95 2ozaA1 ARG 313 HG2 0.09 -0.03 -0.14 -0.04 1.67 1.54 2ozaA1 ARG 313 HG3 0.09 -0.13 0.18 -0.04 1.67 1.77 2ozaA1 ARG 313 HD2 0.19 -0.13 0.00 -0.04 3.22 3.24 2ozaA1 ARG 313 HD3 0.18 0.11 -0.09 -0.04 3.22 3.37 2ozaA1 MET 314 H 0.07 0.51 0.22 -0.55 8.47 8.71 2ozaA1 MET 314 HA 0.07 -0.00 0.21 -0.75 4.52 4.04 2ozaA1 MET 314 HB2 0.07 0.03 -0.10 -0.04 2.15 2.12 2ozaA1 MET 314 HB3 0.10 -0.03 -0.11 -0.04 2.03 1.95 2ozaA1 MET 314 HG2 0.14 0.07 -0.20 -0.04 2.63 2.60 2ozaA1 MET 314 HG3 0.09 -0.03 -0.05 -0.04 2.56 2.53 2ozaA1 MET 314 HE3 0.02 0.00 -0.12 -0.04 2.10 1.97 2ozaA1 THR 315 H 0.08 0.07 0.19 -0.55 8.28 8.07 2ozaA1 THR 315 HA 0.09 0.28 0.94 -0.75 4.39 4.95 2ozaA1 THR 315 HB 0.10 -0.04 0.12 -0.04 4.32 4.45 2ozaA1 THR 315 HG23 0.06 0.07 0.02 -0.04 1.22 1.32 2ozaA1 ILE 316 H 0.08 0.22 0.13 -0.55 8.25 8.14 2ozaA1 ILE 316 HA 0.03 0.11 0.15 -0.75 4.18 3.72 2ozaA1 ILE 316 HB -0.23 0.05 0.06 -0.04 1.89 1.74 2ozaA1 ILE 316 HG12 -0.15 0.04 -0.14 -0.04 1.49 1.20 2ozaA1 ILE 316 HG13 0.02 -0.03 -0.15 -0.04 1.21 1.00 2ozaA1 ILE 316 HG23 0.03 0.02 0.01 -0.04 0.93 0.94 2ozaA1 ILE 316 HD13 -0.19 0.04 0.04 -0.04 0.88 0.72 2ozaA1 THR 317 H 0.08 0.10 -0.19 -0.55 8.28 7.72 2ozaA1 THR 317 HA 0.09 0.17 0.61 -0.75 4.39 4.50 2ozaA1 THR 317 HB 0.05 0.07 0.06 -0.04 4.32 4.47 2ozaA1 THR 317 HG23 0.06 0.01 0.02 -0.04 1.22 1.27 2ozaA1 GLU 318 H 0.10 0.12 -0.11 -0.55 8.60 8.17 2ozaA1 GLU 318 HA 0.08 0.06 0.48 -0.75 4.29 4.16 2ozaA1 GLU 318 HB2 0.11 0.18 0.12 -0.04 2.09 2.46 2ozaA1 GLU 318 HB3 0.09 0.02 0.06 -0.04 1.99 2.11 2ozaA1 GLU 318 HG2 0.06 0.02 0.05 -0.04 2.34 2.43 2ozaA1 GLU 318 HG3 0.07 -0.10 0.08 -0.04 2.34 2.34 2ozaA1 PHE 319 H 0.24 0.19 -0.55 -0.55 8.34 7.67 2ozaA1 PHE 319 HA 0.07 0.05 0.40 -0.75 4.62 4.39 2ozaA1 PHE 319 HB2 0.03 0.00 -0.14 -0.04 3.15 3.00 2ozaA1 PHE 319 HB3 0.03 0.16 0.10 -0.04 3.06 3.31 2ozaA1 PHE 319 HD2 0.02 0.03 -0.20 -0.04 7.28 7.09 2ozaA1 PHE 319 HE2 0.04 0.03 -0.15 -0.04 7.38 7.26 2ozaA1 PHE 319 HZ 0.12 0.02 -0.13 -0.04 7.32 7.29 2ozaA1 MET 320 H 0.26 0.54 0.05 -0.55 8.47 8.76 2ozaA1 MET 320 HA 0.09 0.04 0.37 -0.75 4.52 4.27 2ozaA1 MET 320 HB2 0.11 0.00 0.15 -0.04 2.15 2.37 2ozaA1 MET 320 HB3 0.08 -0.02 0.05 -0.04 2.03 2.10 2ozaA1 MET 320 HG2 0.21 0.21 0.11 -0.04 2.63 3.12 2ozaA1 MET 320 HG3 0.11 -0.04 -0.01 -0.04 2.56 2.58 2ozaA1 MET 320 HE3 0.08 0.04 -0.15 -0.04 2.10 2.03 2ozaA1 ASN 321 H 0.07 0.30 -0.51 -0.55 8.53 7.84 2ozaA1 ASN 321 HA 0.01 0.07 0.67 -0.75 4.76 4.76 2ozaA1 ASN 321 HB2 0.05 0.07 0.07 -0.04 2.88 3.02 2ozaA1 ASN 321 HB3 0.02 -0.08 -0.03 -0.04 2.79 2.66 2ozaA1 ASN 321 HD21 0.03 -0.07 -0.07 -0.04 7.03 6.88 2ozaA1 ASN 321 HD22 0.04 -0.05 -0.06 -0.04 7.74 7.63 2ozaA1 HIS 322 H 0.07 0.31 -0.22 -0.55 8.41 8.03 2ozaA1 HIS 322 HA -0.02 0.02 0.36 -0.75 4.63 4.24 2ozaA1 HIS 322 HB2 -0.10 0.13 0.20 -0.04 3.26 3.46 2ozaA1 HIS 322 HB3 -0.21 0.05 0.08 -0.04 3.20 3.08 2ozaA1 HIS 322 HD2 -0.01 0.04 0.02 -0.04 6.97 6.98 2ozaA1 HIS 322 HE1 0.01 -0.04 -0.17 -0.04 7.75 7.51 2ozaA1 PRO 323 HA -0.10 0.04 0.41 -0.51 4.44 4.27 2ozaA1 PRO 323 HB2 -0.17 -0.00 -0.00 -0.04 2.28 2.06 2ozaA1 PRO 323 HB3 -0.10 0.03 0.09 -0.04 2.02 2.00 2ozaA1 PRO 323 HG2 -0.21 0.02 0.07 -0.04 2.03 1.88 2ozaA1 PRO 323 HG3 -0.13 0.09 0.10 -0.04 2.03 2.04 2ozaA1 PRO 323 HD2 -1.13 0.06 0.18 -0.04 3.68 2.75 2ozaA1 PRO 323 HD3 -0.26 0.18 0.20 -0.04 3.65 3.73 2ozaA1 TRP 324 H -0.01 0.12 -0.36 -0.55 7.97 7.17 2ozaA1 TRP 324 HA -0.05 0.11 0.20 -0.75 4.62 4.12 2ozaA1 TRP 324 HB2 0.12 -0.08 -0.06 -0.04 3.23 3.17 2ozaA1 TRP 324 HB3 0.20 0.05 -0.14 -0.04 3.23 3.30 2ozaA1 TRP 324 HD1 -0.01 -0.05 -0.03 -0.04 7.22 7.09 2ozaA1 TRP 324 HE1 -0.03 -0.02 -0.03 -0.04 10.20 10.08 2ozaA1 TRP 324 HE3 -0.03 0.03 -0.28 -0.04 7.59 7.27 2ozaA1 TRP 324 HZ2 -0.05 0.04 0.01 -0.04 7.44 7.39 2ozaA1 TRP 324 HZ3 0.05 0.03 -0.13 -0.04 7.13 7.03 2ozaA1 TRP 324 HH2 0.00 -0.02 -0.28 -0.04 7.19 6.85 2ozaA1 ILE 325 H 0.04 0.29 -0.63 -0.55 8.25 7.41 2ozaA1 ILE 325 HA -0.16 0.18 0.80 -0.75 4.18 4.25 2ozaA1 ILE 325 HB -0.13 0.20 0.03 -0.04 1.89 1.95 2ozaA1 ILE 325 HG12 -0.00 -0.15 -0.30 -0.04 1.49 1.00 2ozaA1 ILE 325 HG13 -0.95 0.02 -0.17 -0.04 1.21 0.07 2ozaA1 ILE 325 HG23 -0.00 -0.01 -0.19 -0.04 0.93 0.69 2ozaA1 ILE 325 HD13 0.18 0.02 -0.17 -0.04 0.88 0.86 2ozaA1 MET 326 H -0.05 0.58 -0.01 -0.55 8.47 8.43 2ozaA1 MET 326 HA -0.04 0.04 0.43 -0.75 4.52 4.20 2ozaA1 MET 326 HB2 -0.02 0.31 0.14 -0.04 2.15 2.54 2ozaA1 MET 326 HB3 -0.05 -0.07 0.04 -0.04 2.03 1.91 2ozaA1 MET 326 HG2 -0.04 -0.09 -0.15 -0.04 2.63 2.31 2ozaA1 MET 326 HG3 -0.03 -0.05 -0.03 -0.04 2.56 2.41 2ozaA1 MET 326 HE3 0.00 0.03 0.02 -0.04 2.10 2.11 2ozaA1 GLN 327 H -0.08 0.24 -0.05 -0.55 8.47 8.04 2ozaA1 GLN 327 HA -0.07 0.05 0.58 -0.75 4.36 4.17 2ozaA1 GLN 327 HB2 -0.08 0.28 0.18 -0.04 2.15 2.49 2ozaA1 GLN 327 HB3 -0.08 -0.16 0.18 -0.04 2.02 1.93 2ozaA1 GLN 327 HG2 -0.05 0.01 0.02 -0.04 2.40 2.34 2ozaA1 GLN 327 HG3 -0.05 -0.02 0.05 -0.04 2.39 2.33 2ozaA1 GLN 327 HE21 -0.03 -0.00 0.01 -0.04 6.97 6.90 2ozaA1 GLN 327 HE22 -0.04 0.00 0.02 -0.04 7.69 7.63 2ozaA1 SER 328 H -0.12 0.69 -0.79 -0.55 8.46 7.69 2ozaA1 SER 328 HA -0.36 0.10 0.05 -0.75 4.49 3.52 2ozaA1 SER 328 HB2 -0.18 0.34 0.09 -0.04 3.95 4.16 2ozaA1 SER 328 HB3 -0.13 -0.06 0.03 -0.04 3.93 3.73 2ozaA1 THR 329 H -0.12 -0.04 -1.02 -0.55 8.28 6.55 2ozaA1 THR 329 HA -0.11 0.20 0.43 -0.75 4.39 4.15 2ozaA1 THR 329 HB -0.07 0.02 -0.06 -0.04 4.32 4.17 2ozaA1 THR 329 HG23 -0.06 -0.00 -0.07 -0.04 1.22 1.05 2ozaA1 LYS 330 H -0.09 0.17 0.01 -0.55 8.42 7.96 2ozaA1 LYS 330 HA -0.06 0.15 0.77 -0.75 4.32 4.43 2ozaA1 LYS 330 HB2 -0.04 -0.03 0.16 -0.04 1.87 1.93 2ozaA1 LYS 330 HB3 -0.05 -0.04 0.08 -0.04 1.79 1.75 2ozaA1 LYS 330 HG2 -0.06 -0.03 0.07 -0.04 1.46 1.40 2ozaA1 LYS 330 HG3 -0.06 0.08 -0.19 -0.04 1.46 1.25 2ozaA1 LYS 330 HD2 -0.03 -0.02 0.03 -0.04 1.69 1.62 2ozaA1 LYS 330 HD3 -0.04 -0.01 0.01 -0.04 1.68 1.60 2ozaA1 LYS 330 HE2 -0.03 0.01 -0.03 -0.04 2.99 2.90 2ozaA1 LYS 330 HE3 -0.03 -0.00 0.04 -0.04 2.99 2.96 2ozaA1 VAL 331 H -0.14 0.12 -0.76 -0.55 8.24 6.92 2ozaA1 VAL 331 HA -0.08 0.03 0.36 -0.75 4.13 3.68 2ozaA1 VAL 331 HB -0.27 0.08 0.03 -0.04 2.12 1.91 2ozaA1 VAL 331 HG13 -0.30 0.03 -0.17 -0.04 0.97 0.49 2ozaA1 VAL 331 HG23 -0.46 0.02 -0.13 -0.04 0.95 0.34 2ozaA1 PRO 332 HA -0.01 0.02 0.42 -0.51 4.44 4.36 2ozaA1 PRO 332 HB2 0.06 -0.03 0.05 -0.04 2.28 2.32 2ozaA1 PRO 332 HB3 0.03 0.03 0.16 -0.04 2.02 2.19 2ozaA1 PRO 332 HG2 0.17 -0.03 0.12 -0.04 2.03 2.25 2ozaA1 PRO 332 HG3 0.07 0.03 0.13 -0.04 2.03 2.21 2ozaA1 PRO 332 HD2 0.05 0.07 0.22 -0.04 3.68 3.99 2ozaA1 PRO 332 HD3 0.02 0.23 0.21 -0.04 3.65 4.07 2ozaA1 GLN 333 H -0.02 0.10 0.18 -0.55 8.47 8.19 2ozaA1 GLN 333 HA -0.06 0.11 0.61 -0.75 4.36 4.26 2ozaA1 GLN 333 HB2 -0.04 0.12 0.06 -0.04 2.15 2.25 2ozaA1 GLN 333 HB3 -0.03 -0.03 0.08 -0.04 2.02 2.00 2ozaA1 GLN 333 HG2 -0.04 -0.02 0.09 -0.04 2.40 2.39 2ozaA1 GLN 333 HG3 -0.06 -0.06 0.12 -0.04 2.39 2.36 2ozaA1 GLN 333 HE21 -0.03 0.01 0.02 -0.04 6.97 6.92 2ozaA1 GLN 333 HE22 -0.03 -0.01 0.02 -0.04 7.69 7.63 2ozaA1 THR 334 H -0.02 0.01 -0.20 -0.55 8.28 7.52 2ozaA1 THR 334 HA -0.04 0.06 0.37 -0.75 4.39 4.03 2ozaA1 THR 334 HB -0.02 -0.03 0.10 -0.04 4.32 4.34 2ozaA1 THR 334 HG23 -0.01 -0.02 -0.07 -0.04 1.22 1.07 2ozaA1 PRO 335 HA -0.10 0.16 0.57 -0.51 4.44 4.56 2ozaA1 PRO 335 HB2 -0.08 0.01 0.03 -0.04 2.28 2.19 2ozaA1 PRO 335 HB3 -0.05 0.02 0.08 -0.04 2.02 2.02 2ozaA1 PRO 335 HG2 -0.08 0.02 0.03 -0.04 2.03 1.96 2ozaA1 PRO 335 HG3 -0.06 0.04 0.06 -0.04 2.03 2.03 2ozaA1 PRO 335 HD2 -0.04 0.04 0.25 -0.04 3.68 3.88 2ozaA1 PRO 335 HD3 -0.05 0.16 0.17 -0.04 3.65 3.89 2ozaA1 LEU 336 H -0.06 0.33 0.38 -0.55 8.37 8.47 2ozaA1 LEU 336 HA -0.02 0.20 0.91 -0.75 4.35 4.69 2ozaA1 LEU 336 HB2 -0.12 0.03 0.05 -0.04 1.64 1.56 2ozaA1 LEU 336 HB3 -0.09 -0.03 0.01 -0.04 1.64 1.50 2ozaA1 LEU 336 HG -0.15 0.16 -0.37 -0.04 1.64 1.23 2ozaA1 LEU 336 HD13 -0.38 -0.01 -0.28 -0.04 0.93 0.23 2ozaA1 LEU 336 HD23 -0.28 -0.01 0.09 -0.04 0.89 0.65 2ozaA1 HIS 337 H 0.23 0.30 0.15 -0.55 8.41 8.55 2ozaA1 HIS 337 HA -0.01 0.07 0.37 -0.75 4.63 4.31 2ozaA1 HIS 337 HB2 -0.04 0.14 0.10 -0.04 3.26 3.42 2ozaA1 HIS 337 HB3 -0.00 -0.02 0.18 -0.04 3.20 3.31 2ozaA1 HIS 337 HD2 -0.00 0.02 0.03 -0.04 6.97 6.96 2ozaA1 HIS 337 HE1 -0.05 0.09 -0.10 -0.04 7.75 7.64 2ozaA1 THR 338 H 0.12 0.09 -0.80 -0.55 8.28 7.15 2ozaA1 THR 338 HA 0.07 0.13 -0.21 -0.75 4.39 3.63 2ozaA1 THR 338 HB 0.38 -0.09 0.00 -0.04 4.32 4.58 2ozaA1 THR 338 HG23 0.12 0.01 -0.17 -0.04 1.22 1.14 2ozaA1 SER 339 H 0.10 0.11 -0.10 -0.55 8.46 8.02 2ozaA1 SER 339 HA -0.09 0.13 0.15 -0.75 4.49 3.93 2ozaA1 SER 339 HB2 -0.04 0.08 -0.00 -0.04 3.95 3.95 2ozaA1 SER 339 HB3 -0.07 0.12 0.05 -0.04 3.93 3.99 2ozaA1 ARG 340 H 0.03 0.14 -0.50 -0.55 8.46 7.57 2ozaA1 ARG 340 HA -0.00 0.07 0.40 -0.75 4.34 4.06 2ozaA1 ARG 340 HB2 0.01 -0.07 0.09 -0.04 1.90 1.89 2ozaA1 ARG 340 HB3 0.05 0.06 0.10 -0.04 1.80 1.96 2ozaA1 ARG 340 HG2 0.01 0.00 -0.01 -0.04 1.67 1.64 2ozaA1 ARG 340 HG3 -0.00 -0.01 0.03 -0.04 1.67 1.65 2ozaA1 ARG 340 HD2 -0.00 -0.00 0.00 -0.04 3.22 3.18 2ozaA1 ARG 340 HD3 -0.02 -0.03 0.01 -0.04 3.22 3.14 2ozaA1 VAL 341 H 0.06 0.54 0.13 -0.55 8.24 8.42 2ozaA1 VAL 341 HA 0.05 -0.06 0.44 -0.75 4.13 3.81 2ozaA1 VAL 341 HB 0.10 0.08 0.13 -0.04 2.12 2.39 2ozaA1 VAL 341 HG13 0.15 -0.01 -0.13 -0.04 0.97 0.95 2ozaA1 VAL 341 HG23 0.12 0.06 0.09 -0.04 0.95 1.18 2ozaA1 LEU 342 H -0.01 0.59 -0.19 -0.55 8.37 8.22 2ozaA1 LEU 342 HA -0.06 0.03 0.35 -0.75 4.35 3.92 2ozaA1 LEU 342 HB2 -0.11 0.12 0.02 -0.04 1.64 1.63 2ozaA1 LEU 342 HB3 -0.25 -0.06 -0.07 -0.04 1.64 1.22 2ozaA1 LEU 342 HG -0.08 0.03 0.02 -0.04 1.64 1.57 2ozaA1 LEU 342 HD13 -0.08 -0.01 -0.20 -0.04 0.93 0.59 2ozaA1 LEU 342 HD23 -0.70 -0.02 -0.02 -0.04 0.89 0.11 2ozaA1 LYS 343 H -0.04 0.35 -0.26 -0.55 8.42 7.92 2ozaA1 LYS 343 HA -0.04 -0.07 0.43 -0.75 4.32 3.88 2ozaA1 LYS 343 HB2 -0.02 0.17 0.30 -0.04 1.87 2.28 2ozaA1 LYS 343 HB3 -0.01 -0.05 0.10 -0.04 1.79 1.79 2ozaA1 LYS 343 HG2 -0.02 -0.09 0.04 -0.04 1.46 1.36 2ozaA1 LYS 343 HG3 -0.02 -0.08 0.04 -0.04 1.46 1.36 2ozaA1 LYS 343 HD2 -0.04 -0.11 -0.02 -0.04 1.69 1.48 2ozaA1 LYS 343 HD3 -0.05 0.12 0.07 -0.04 1.68 1.77 2ozaA1 LYS 343 HE2 -0.03 0.12 0.02 -0.04 2.99 3.06 2ozaA1 LYS 343 HE3 -0.02 -0.11 0.03 -0.04 2.99 2.84 2ozaA1 GLU 344 H 0.01 0.46 -0.05 -0.55 8.60 8.47 2ozaA1 GLU 344 HA 0.02 -0.10 0.31 -0.75 4.29 3.76 2ozaA1 GLU 344 HB2 0.03 -0.01 0.24 -0.04 2.09 2.31 2ozaA1 GLU 344 HB3 0.04 -0.03 0.23 -0.04 1.99 2.18 2ozaA1 GLU 344 HG2 0.02 -0.07 -0.05 -0.04 2.34 2.20 2ozaA1 GLU 344 HG3 0.02 -0.06 0.02 -0.04 2.34 2.27 2ozaA1 ASP 345 H 0.05 0.24 0.08 -0.55 8.40 8.23 2ozaA1 ASP 345 HA 0.04 0.14 1.10 -0.75 4.63 5.16 2ozaA1 ASP 345 HB2 0.04 0.05 0.05 -0.04 2.71 2.81 2ozaA1 ASP 345 HB3 0.07 -0.03 0.15 -0.04 2.70 2.85 2ozaA1 LYS 346 H 0.05 0.15 0.20 -0.55 8.42 8.26 2ozaA1 LYS 346 HA 0.08 0.26 0.44 -0.75 4.32 4.34 2ozaA1 LYS 346 HB2 0.06 -0.11 0.24 -0.04 1.87 2.02 2ozaA1 LYS 346 HB3 0.07 -0.03 0.06 -0.04 1.79 1.86 2ozaA1 LYS 346 HG2 0.03 -0.04 0.08 -0.04 1.46 1.49 2ozaA1 LYS 346 HG3 0.02 0.07 0.08 -0.04 1.46 1.59 2ozaA1 LYS 346 HD2 0.03 0.28 0.01 -0.04 1.69 1.97 2ozaA1 LYS 346 HD3 0.03 -0.12 0.15 -0.04 1.68 1.70 2ozaA1 LYS 346 HE2 0.01 -0.04 0.04 -0.04 2.99 2.95 2ozaA1 LYS 346 HE3 0.01 0.14 0.02 -0.04 2.99 3.12 2ozaA1 GLU 347 H 0.07 0.13 0.08 -0.55 8.60 8.33 2ozaA1 GLU 347 HA 0.10 0.05 0.26 -0.75 4.29 3.95 2ozaA1 GLU 347 HB2 0.06 0.02 0.14 -0.04 2.09 2.26 2ozaA1 GLU 347 HB3 0.06 0.03 0.01 -0.04 1.99 2.05 2ozaA1 GLU 347 HG2 0.04 0.02 -0.04 -0.04 2.34 2.33 2ozaA1 GLU 347 HG3 0.05 -0.03 0.11 -0.04 2.34 2.44 2ozaA1 ARG 348 H 0.10 0.11 -0.55 -0.55 8.46 7.57 2ozaA1 ARG 348 HA 0.08 0.02 0.46 -0.75 4.34 4.15 2ozaA1 ARG 348 HB2 0.08 -0.07 0.06 -0.04 1.90 1.94 2ozaA1 ARG 348 HB3 0.12 0.26 0.06 -0.04 1.80 2.20 2ozaA1 ARG 348 HG2 0.12 -0.02 -0.06 -0.04 1.67 1.67 2ozaA1 ARG 348 HG3 0.08 -0.04 0.06 -0.04 1.67 1.72 2ozaA1 ARG 348 HD2 0.08 0.08 0.03 -0.04 3.22 3.38 2ozaA1 ARG 348 HD3 0.06 -0.05 0.03 -0.04 3.22 3.22 2ozaA1 TRP 349 H 0.30 0.54 -0.07 -0.55 7.97 8.19 2ozaA1 TRP 349 HA 0.00 0.05 0.57 -0.75 4.62 4.49 2ozaA1 TRP 349 HB2 0.01 0.17 0.21 -0.04 3.23 3.58 2ozaA1 TRP 349 HB3 0.02 0.12 0.24 -0.04 3.23 3.56 2ozaA1 TRP 349 HD1 0.03 0.01 -0.08 -0.04 7.22 7.13 2ozaA1 TRP 349 HE1 0.05 -0.07 -0.07 -0.04 10.20 10.06 2ozaA1 TRP 349 HE3 -0.08 0.11 0.05 -0.04 7.59 7.64 2ozaA1 TRP 349 HZ2 -0.12 -0.11 -0.03 -0.04 7.44 7.14 2ozaA1 TRP 349 HZ3 -0.39 0.04 -0.09 -0.04 7.13 6.65 2ozaA1 TRP 349 HH2 -1.82 -0.01 -0.05 -0.04 7.19 5.27 2ozaA1 GLU 350 H 0.19 0.29 -0.12 -0.55 8.60 8.41 2ozaA1 GLU 350 HA -0.09 -0.03 0.34 -0.75 4.29 3.76 2ozaA1 GLU 350 HB2 0.06 0.32 0.19 -0.04 2.09 2.62 2ozaA1 GLU 350 HB3 0.02 -0.04 0.05 -0.04 1.99 1.98 2ozaA1 GLU 350 HG2 0.14 0.03 0.03 -0.04 2.34 2.49 2ozaA1 GLU 350 HG3 0.08 -0.01 0.04 -0.04 2.34 2.40 2ozaA1 ASP 351 H 0.00 0.33 -0.56 -0.55 8.40 7.63 2ozaA1 ASP 351 HA -0.03 0.03 0.69 -0.75 4.63 4.56 2ozaA1 ASP 351 HB2 0.03 0.19 0.18 -0.04 2.71 3.07 2ozaA1 ASP 351 HB3 0.01 -0.05 0.07 -0.04 2.70 2.69 2ozaA1 VAL 352 H -0.11 0.55 0.14 -0.55 8.24 8.27 2ozaA1 VAL 352 HA 0.06 0.02 0.58 -0.75 4.13 4.04 2ozaA1 VAL 352 HB -0.72 0.16 0.30 -0.04 2.12 1.82 2ozaA1 VAL 352 HG13 -0.39 -0.03 -0.05 -0.04 0.97 0.45 2ozaA1 VAL 352 HG23 0.06 0.07 0.16 -0.04 0.95 1.20 2ozaA1 LYS 353 H -0.43 0.50 -0.21 -0.55 8.42 7.72 2ozaA1 LYS 353 HA -0.29 0.01 0.34 -0.75 4.32 3.63 2ozaA1 LYS 353 HB2 -0.24 0.16 0.07 -0.04 1.87 1.81 2ozaA1 LYS 353 HB3 -0.17 -0.05 0.01 -0.04 1.79 1.54 2ozaA1 LYS 353 HG2 -0.47 -0.10 -0.01 -0.04 1.46 0.85 2ozaA1 LYS 353 HG3 -1.33 0.07 -0.04 -0.04 1.46 0.12 2ozaA1 LYS 353 HD2 -0.52 -0.02 -0.12 -0.04 1.69 0.99 2ozaA1 LYS 353 HD3 -0.30 0.02 -0.13 -0.04 1.68 1.23 2ozaA1 LYS 353 HE2 -0.01 0.04 -0.02 -0.04 2.99 2.96 2ozaA1 LYS 353 HE3 0.06 -0.09 -0.03 -0.04 2.99 2.89 2ozaA1 GLU 354 H -0.11 0.34 -0.22 -0.55 8.60 8.06 2ozaA1 GLU 354 HA -0.05 0.05 0.45 -0.75 4.29 3.99 2ozaA1 GLU 354 HB2 -0.05 0.15 0.27 -0.04 2.09 2.41 2ozaA1 GLU 354 HB3 -0.05 -0.00 0.02 -0.04 1.99 1.91 2ozaA1 GLU 354 HG2 -0.03 -0.03 0.07 -0.04 2.34 2.31 2ozaA1 GLU 354 HG3 -0.03 -0.01 0.06 -0.04 2.34 2.32 2ozaA1 GLU 355 H -0.07 0.51 -0.17 -0.55 8.60 8.32 2ozaA1 GLU 355 HA -0.14 0.05 0.49 -0.75 4.29 3.93 2ozaA1 GLU 355 HB2 -0.14 0.01 0.10 -0.04 2.09 2.01 2ozaA1 GLU 355 HB3 -0.19 0.12 0.15 -0.04 1.99 2.03 2ozaA1 GLU 355 HG2 -0.54 0.04 -0.01 -0.04 2.34 1.78 2ozaA1 GLU 355 HG3 -0.92 -0.02 -0.17 -0.04 2.34 1.19 2ozaA1 MET 356 H 0.01 0.57 -0.06 -0.55 8.47 8.44 2ozaA1 MET 356 HA 0.28 0.04 0.47 -0.75 4.52 4.55 2ozaA1 MET 356 HB2 0.24 0.01 0.13 -0.04 2.15 2.49 2ozaA1 MET 356 HB3 0.02 0.08 0.18 -0.04 2.03 2.28 2ozaA1 MET 356 HG2 0.05 -0.09 -0.04 -0.04 2.63 2.52 2ozaA1 MET 356 HG3 0.15 -0.01 -0.40 -0.04 2.56 2.26 2ozaA1 MET 356 HE3 -0.01 -0.01 -0.01 -0.04 2.10 2.03 2ozaA1 THR 357 H -0.02 0.36 -0.48 -0.55 8.28 7.58 2ozaA1 THR 357 HA -0.00 0.03 0.24 -0.75 4.39 3.90 2ozaA1 THR 357 HB -0.03 0.20 0.15 -0.04 4.32 4.60 2ozaA1 THR 357 HG23 -0.02 -0.02 -0.15 -0.04 1.22 0.99 2ozaA1 SER 358 H -0.07 0.26 -0.24 -0.55 8.46 7.86 2ozaA1 SER 358 HA -0.08 0.06 0.48 -0.75 4.49 4.20 2ozaA1 SER 358 HB2 -0.08 0.05 0.12 -0.04 3.95 4.01 2ozaA1 SER 358 HB3 -0.11 0.04 0.17 -0.04 3.93 3.98 2ozaA1 ALA 359 H -0.11 0.63 -0.08 -0.55 8.40 8.30 2ozaA1 ALA 359 HA -0.19 0.02 0.47 -0.75 4.34 3.90 2ozaA1 ALA 359 HB3 -0.07 0.03 0.10 -0.04 1.41 1.43 2ozaA1 LEU 360 H -0.03 0.57 -0.17 -0.55 8.37 8.20 2ozaA1 LEU 360 HA -0.19 0.02 0.37 -0.75 4.35 3.80 2ozaA1 LEU 360 HB2 -0.03 0.09 0.07 -0.04 1.64 1.73 2ozaA1 LEU 360 HB3 -0.12 0.03 -0.11 -0.04 1.64 1.41 2ozaA1 LEU 360 HG 0.32 0.04 -0.04 -0.04 1.64 1.92 2ozaA1 LEU 360 HD13 0.06 -0.00 -0.27 -0.04 0.93 0.68 2ozaA1 LEU 360 HD23 0.15 0.00 -0.09 -0.04 0.89 0.92 2ozaA1 ALA 361 H -0.14 0.18 -0.84 -0.55 8.40 7.05 2ozaA1 ALA 361 HA -0.20 0.04 0.24 -0.75 4.34 3.67 2ozaA1 ALA 361 HB3 -0.11 0.06 0.14 -0.04 1.41 1.46 2ozaA1 THR 362 H -0.18 0.27 -0.14 -0.55 8.28 7.68 2ozaA1 THR 362 HA -0.17 0.13 0.83 -0.75 4.39 4.43 2ozaA1 THR 362 HB -0.14 -0.06 0.09 -0.04 4.32 4.17 2ozaA1 THR 362 HG23 -0.20 0.02 0.12 -0.04 1.22 1.11 2ozaA1 MET 363 H -0.28 0.44 -0.09 -0.55 8.47 8.00 2ozaA1 MET 363 HA -0.20 0.02 0.51 -0.75 4.52 4.10 2ozaA1 MET 363 HB2 -0.35 0.04 0.09 -0.04 2.15 1.89 2ozaA1 MET 363 HB3 -0.31 -0.06 0.09 -0.04 2.03 1.72 2ozaA1 MET 363 HG2 -0.50 -0.07 0.02 -0.04 2.63 2.03 2ozaA1 MET 363 HG3 -0.94 0.05 -0.07 -0.04 2.56 1.56 2ozaA1 MET 363 HE3 -0.30 0.00 0.03 -0.04 2.10 1.78 2ozaA1 ARG 364 H -0.18 0.26 -0.52 -0.55 8.46 7.46 2ozaA1 ARG 364 HA -0.05 0.16 0.96 -0.75 4.34 4.65 2ozaA1 ARG 364 HB2 -0.01 -0.09 0.03 -0.04 1.90 1.79 2ozaA1 ARG 364 HB3 -0.05 -0.02 -0.04 -0.04 1.80 1.65 2ozaA1 ARG 364 HG2 -0.17 0.31 0.08 -0.04 1.67 1.85 2ozaA1 ARG 364 HG3 -0.11 -0.09 -0.37 -0.04 1.67 1.06 2ozaA1 ARG 364 HD2 -0.08 -0.04 -0.05 -0.04 3.22 3.02 2ozaA1 ARG 364 HD3 -0.18 0.11 0.02 -0.04 3.22 3.13 2ozaA1 VAL 365 H -0.09 0.11 0.07 -0.55 8.24 7.79 2ozaA1 VAL 365 HA -0.31 0.15 0.54 -0.75 4.13 3.76 2ozaA1 VAL 365 HB -0.54 -0.03 0.08 -0.04 2.12 1.60 2ozaA1 VAL 365 HG13 -0.76 -0.03 -0.28 -0.04 0.97 -0.14 2ozaA1 VAL 365 HG23 -0.33 0.01 -0.00 -0.04 0.95 0.58 2ozaA1 ASP 366 H -0.19 0.23 0.16 -0.55 8.40 8.05 2ozaA1 ASP 366 HA 0.01 0.13 0.75 -0.75 4.63 4.76 2ozaA1 ASP 366 HB2 -0.04 0.14 0.13 -0.04 2.71 2.90 2ozaA1 ASP 366 HB3 -0.07 -0.02 0.19 -0.04 2.70 2.76 2ozaA1 TYR 367 H 0.17 0.33 0.11 -0.55 8.29 8.35 2ozaA1 TYR 367 HA -0.01 0.10 0.44 -0.75 4.56 4.34 2ozaA1 TYR 367 HB2 0.01 0.03 0.06 -0.04 3.06 3.12 2ozaA1 TYR 367 HB3 0.01 -0.02 0.13 -0.04 2.98 3.06 2ozaA1 TYR 367 HD2 0.02 0.03 0.05 -0.04 7.15 7.21 2ozaA1 TYR 367 HE2 0.02 -0.02 -0.02 -0.04 6.85 6.79 2ozaA1 GLU 368 H 0.06 0.02 -0.52 -0.55 8.60 7.62 2ozaA1 GLU 368 HA 0.05 0.18 0.69 -0.75 4.29 4.46 2ozaA1 GLU 368 HB2 0.05 -0.02 0.07 -0.04 2.09 2.16 2ozaA1 GLU 368 HB3 0.03 -0.00 0.21 -0.04 1.99 2.18 2ozaA1 GLU 368 HG2 0.02 -0.02 0.03 -0.04 2.34 2.33 2ozaA1 GLU 368 HG3 0.03 0.01 0.03 -0.04 2.34 2.37 2ozaA1 GLN 369 H 0.01 0.28 -0.52 -0.55 8.47 7.69 2ozaA1 GLN 369 HA -0.01 0.13 0.84 -0.75 4.36 4.57 2ozaA1 GLN 369 HB2 -0.05 0.12 0.03 -0.04 2.15 2.21 2ozaA1 GLN 369 HB3 -0.04 0.03 0.04 -0.04 2.02 2.00 2ozaA1 GLN 369 HG2 -0.02 0.00 -0.13 -0.04 2.40 2.21 2ozaA1 GLN 369 HG3 -0.05 0.03 -0.04 -0.04 2.39 2.29 2ozaA1 GLN 369 HE21 -0.05 0.00 0.03 -0.04 6.97 6.91 2ozaA1 GLN 369 HE22 -0.04 -0.02 0.02 -0.04 7.69 7.61 2ozaA1 ILE 370 H -0.01 0.07 0.14 -0.55 8.25 7.90 2ozaA1 ILE 370 HA -0.00 0.06 0.35 -0.75 4.18 3.83 2ozaA1 ILE 370 HB -0.01 0.07 0.08 -0.04 1.89 2.00 2ozaA1 ILE 370 HG12 -0.01 -0.02 0.00 -0.04 1.49 1.42 2ozaA1 ILE 370 HG13 -0.02 -0.07 0.07 -0.04 1.21 1.16 2ozaA1 ILE 370 HG23 -0.01 -0.00 0.05 -0.04 0.93 0.92 2ozaA1 ILE 370 HD13 -0.02 -0.02 -0.49 -0.04 0.88 0.31 2ozaA1 LYS 371 H -0.01 0.09 0.17 -0.55 8.42 8.12 2ozaA1 LYS 371 HA -0.02 0.17 0.85 -0.75 4.32 4.57 2ozaA1 LYS 371 HB2 -0.00 -0.04 0.05 -0.04 1.87 1.83 2ozaA1 LYS 371 HB3 -0.01 0.06 0.04 -0.04 1.79 1.84 2ozaA1 LYS 371 HG2 -0.01 0.07 -0.04 -0.04 1.46 1.44 2ozaA1 LYS 371 HG3 0.00 0.02 -0.01 -0.04 1.46 1.42 2ozaA1 LYS 371 HD2 0.00 -0.02 0.00 -0.04 1.69 1.63 2ozaA1 LYS 371 HD3 -0.00 -0.00 0.02 -0.04 1.68 1.65 2ozaA1 LYS 371 HE2 0.00 0.01 -0.01 -0.04 2.99 2.95 2ozaA1 LYS 371 HE3 0.01 0.03 -0.01 -0.04 2.99 2.99 2ozaA1 ILE 372 H -0.01 0.13 0.11 -0.55 8.25 7.92 2ozaA1 ILE 372 HA -0.01 0.07 0.59 -0.75 4.18 4.08 2ozaA1 ILE 372 HB -0.01 -0.02 0.07 -0.04 1.89 1.89 2ozaA1 ILE 372 HG12 -0.02 0.01 -0.06 -0.04 1.49 1.38 2ozaA1 ILE 372 HG13 -0.02 -0.01 0.01 -0.04 1.21 1.14 2ozaA1 ILE 372 HG23 -0.01 0.08 -0.04 -0.04 0.93 0.91 2ozaA1 ILE 372 HD13 -0.02 -0.00 -0.00 -0.04 0.88 0.81 2ozaA1 LYS 373 H -0.01 0.07 0.09 -0.55 8.42 8.03 2ozaA1 LYS 373 HA -0.01 0.02 0.40 -0.75 4.32 3.98 2ozaA1 LYS 373 HB2 -0.01 -0.06 -0.02 -0.04 1.87 1.74 2ozaA1 LYS 373 HB3 -0.01 0.10 -0.11 -0.04 1.79 1.74 2ozaA1 LYS 373 HG2 -0.00 -0.01 0.02 -0.04 1.46 1.42 2ozaA1 LYS 373 HG3 -0.00 -0.02 0.01 -0.04 1.46 1.41 2ozaA1 LYS 373 HD2 -0.01 -0.08 0.02 -0.04 1.69 1.59 2ozaA1 LYS 373 HD3 -0.00 0.26 -0.01 -0.04 1.68 1.89 2ozaA1 LYS 373 HE2 -0.00 -0.01 0.03 -0.04 2.99 2.97 2ozaA1 LYS 373 HE3 -0.00 -0.01 0.03 -0.04 2.99 2.96 2ozaA1 LYS 374 H -0.00 0.08 0.13 -0.55 8.42 8.06 2ozaA1 LYS 374 HA -0.01 0.12 0.58 -0.75 4.32 4.26 2ozaA1 LYS 374 HB2 -0.00 0.06 0.17 -0.04 1.87 2.05 2ozaA1 LYS 374 HB3 -0.00 -0.13 0.00 -0.04 1.79 1.61 2ozaA1 LYS 374 HG2 -0.00 -0.08 0.08 -0.04 1.46 1.41 2ozaA1 LYS 374 HG3 -0.00 0.07 0.11 -0.04 1.46 1.60 2ozaA1 LYS 374 HD2 -0.00 -0.01 0.03 -0.04 1.69 1.66 2ozaA1 LYS 374 HD3 -0.00 0.03 0.03 -0.04 1.68 1.70 2ozaA1 LYS 374 HE2 -0.00 0.03 0.03 -0.04 2.99 3.00 2ozaA1 LYS 374 HE3 -0.00 0.01 0.05 -0.04 2.99 3.01 2ozaA1 ILE 375 H -0.01 0.14 0.11 -0.55 8.25 7.95 2ozaA1 ILE 375 HA -0.01 0.12 0.06 -0.75 4.18 3.59 2ozaA1 ILE 375 HB -0.01 0.03 0.11 -0.04 1.89 1.99 2ozaA1 ILE 375 HG12 -0.01 0.01 -0.02 -0.04 1.49 1.43 2ozaA1 ILE 375 HG13 -0.01 0.04 -0.15 -0.04 1.21 1.05 2ozaA1 ILE 375 HG23 -0.01 0.01 0.04 -0.04 0.93 0.93 2ozaA1 ILE 375 HD13 -0.01 0.00 -0.00 -0.04 0.88 0.83 2ozaA1 GLU 376 H -0.01 0.02 -0.17 -0.55 8.60 7.90 2ozaA1 GLU 376 HA -0.00 0.12 0.36 -0.75 4.29 4.01 2ozaA1 GLU 376 HB2 -0.00 0.06 -0.04 -0.04 2.09 2.07 2ozaA1 GLU 376 HB3 -0.00 0.02 0.07 -0.04 1.99 2.04 2ozaA1 GLU 376 HG2 -0.00 -0.13 -0.07 -0.04 2.34 2.10 2ozaA1 GLU 376 HG3 -0.00 0.05 -0.03 -0.04 2.34 2.31 2ozaA1 ASP 377 H -0.00 0.08 -0.40 -0.55 8.40 7.53 2ozaA1 ASP 377 HA -0.00 0.09 0.50 -0.75 4.63 4.46 2ozaA1 ASP 377 HB2 -0.00 0.04 0.06 -0.04 2.71 2.77 2ozaA1 ASP 377 HB3 -0.00 -0.02 0.13 -0.04 2.70 2.77 2ozaA1 ALA 378 H -0.01 0.42 -0.61 -0.55 8.40 7.66 2ozaA1 ALA 378 HA -0.01 0.06 0.64 -0.75 4.34 4.28 2ozaA1 ALA 378 HB3 -0.01 0.01 0.01 -0.04 1.41 1.38 2ozaA1 SER 379 H -0.01 0.25 0.20 -0.55 8.46 8.36 2ozaA1 SER 379 HA -0.01 0.11 0.51 -0.75 4.49 4.35 2ozaA1 SER 379 HB2 -0.00 -0.03 0.02 -0.04 3.95 3.90 2ozaA1 SER 379 HB3 -0.00 -0.04 -0.02 -0.04 3.93 3.83 2ozaA1 ASN 380 H -0.01 0.31 0.14 -0.55 8.53 8.43 2ozaA1 ASN 380 HA -0.01 0.17 0.29 -0.75 4.76 4.46 2ozaA1 ASN 380 HB2 -0.01 0.02 0.20 -0.04 2.88 3.06 2ozaA1 ASN 380 HB3 -0.01 0.24 0.11 -0.04 2.79 3.09 2ozaA1 ASN 380 HD21 -0.01 0.02 -0.09 -0.04 7.03 6.91 2ozaA1 ASN 380 HD22 -0.01 0.12 -0.18 -0.04 7.74 7.63 2ozaA1 PRO 381 HA -0.00 0.13 0.37 -0.51 4.44 4.42 2ozaA1 PRO 381 HB2 -0.01 -0.04 0.16 -0.04 2.28 2.36 2ozaA1 PRO 381 HB3 -0.01 0.09 0.09 -0.04 2.02 2.16 2ozaA1 PRO 381 HG2 -0.01 0.09 0.12 -0.04 2.03 2.19 2ozaA1 PRO 381 HG3 -0.01 0.09 0.10 -0.04 2.03 2.18 2ozaA1 PRO 381 HD2 -0.01 0.12 0.22 -0.04 3.68 3.97 2ozaA1 PRO 381 HD3 -0.01 0.20 0.23 -0.04 3.65 4.02 2ozaA1 LEU 382 H -0.01 0.19 0.03 -0.55 8.37 8.04 2ozaA1 LEU 382 HA -0.01 0.10 0.47 -0.75 4.35 4.15 2ozaA1 LEU 382 HB2 -0.01 0.06 0.12 -0.04 1.64 1.76 2ozaA1 LEU 382 HB3 -0.01 -0.03 0.12 -0.04 1.64 1.68 2ozaA1 LEU 382 HG -0.01 0.01 -0.23 -0.04 1.64 1.37 2ozaA1 LEU 382 HD13 -0.01 -0.01 0.01 -0.04 0.93 0.88 2ozaA1 LEU 382 HD23 -0.01 0.02 -0.01 -0.04 0.89 0.85 2ozaA1 LEU 383 H -0.01 0.05 -0.35 -0.55 8.37 7.51 2ozaA1 LEU 383 HA -0.01 0.05 0.31 -0.75 4.35 3.95 2ozaA1 LEU 383 HB2 -0.01 -0.02 0.00 -0.04 1.64 1.58 2ozaA1 LEU 383 HB3 -0.01 -0.10 0.04 -0.04 1.64 1.53 2ozaA1 LEU 383 HG -0.01 0.08 -0.11 -0.04 1.64 1.57 2ozaA1 LEU 383 HD13 -0.01 -0.01 0.06 -0.04 0.93 0.94 2ozaA1 LEU 383 HD23 -0.01 0.01 -0.21 -0.04 0.89 0.64 2ozaA1 LEU 384 H -0.01 0.39 -0.35 -0.55 8.37 7.85 2ozaA1 LEU 384 HA -0.00 0.11 0.69 -0.75 4.35 4.40 2ozaA1 LEU 384 HB2 -0.00 0.13 0.11 -0.04 1.64 1.83 2ozaA1 LEU 384 HB3 -0.00 0.00 -0.04 -0.04 1.64 1.56 2ozaA1 LEU 384 HG -0.00 0.01 0.05 -0.04 1.64 1.66 2ozaA1 LEU 384 HD13 -0.00 -0.01 -0.03 -0.04 0.93 0.85 2ozaA1 LEU 384 HD23 -0.00 -0.01 -0.05 -0.04 0.89 0.78 2ozaA1 LYS 385 H -0.01 0.39 0.00 -0.55 8.42 8.25 2ozaA1 LYS 385 HA -0.00 0.08 0.62 -0.75 4.32 4.26 2ozaA1 LYS 385 HB2 -0.01 0.05 0.20 -0.04 1.87 2.08 2ozaA1 LYS 385 HB3 -0.00 -0.03 0.06 -0.04 1.79 1.77 2ozaA1 LYS 385 HG2 -0.00 -0.02 0.03 -0.04 1.46 1.42 2ozaA1 LYS 385 HG3 -0.00 0.34 0.11 -0.04 1.46 1.86 2ozaA1 LYS 385 HD2 -0.01 -0.02 0.02 -0.04 1.69 1.64 2ozaA1 LYS 385 HD3 -0.00 0.00 -0.01 -0.04 1.68 1.63 2ozaA1 LYS 385 HE2 -0.00 0.02 -0.07 -0.04 2.99 2.89 2ozaA1 LYS 385 HE3 -0.01 -0.05 -0.44 -0.04 2.99 2.45 2ozaA1 ARG 386 H -0.01 0.52 -0.02 -0.55 8.46 8.40 2ozaA1 ARG 386 HA -0.00 0.06 0.30 -0.75 4.34 3.94 2ozaA1 ARG 386 HB2 -0.01 0.10 0.12 -0.04 1.90 2.07 2ozaA1 ARG 386 HB3 -0.01 0.04 -0.07 -0.04 1.80 1.72 2ozaA1 ARG 386 HG2 -0.01 -0.02 -0.03 -0.04 1.67 1.58 2ozaA1 ARG 386 HG3 -0.01 0.01 -0.02 -0.04 1.67 1.62 2ozaA1 ARG 386 HD2 -0.01 0.02 -0.08 -0.04 3.22 3.11 2ozaA1 ARG 386 HD3 -0.01 0.01 -0.00 -0.04 3.22 3.17 2ozaA1 ARG 387 H -0.01 0.36 -0.10 -0.55 8.46 8.17 2ozaA1 ARG 387 HA -0.00 0.03 0.35 -0.75 4.34 3.97 2ozaA1 ARG 387 HB2 -0.00 0.13 0.21 -0.04 1.90 2.19 2ozaA1 ARG 387 HB3 -0.00 -0.00 -0.03 -0.04 1.80 1.73 2ozaA1 ARG 387 HG2 -0.00 -0.03 0.06 -0.04 1.67 1.66 2ozaA1 ARG 387 HG3 -0.01 -0.05 0.11 -0.04 1.67 1.68 2ozaA1 ARG 387 HD2 -0.00 0.05 0.03 -0.04 3.22 3.26 2ozaA1 ARG 387 HD3 -0.00 -0.02 0.03 -0.04 3.22 3.19 2ozaA1 LYS 388 H -0.00 0.22 -0.61 -0.55 8.42 7.47 2ozaA1 LYS 388 HA -0.00 -0.00 0.42 -0.75 4.32 3.98 2ozaA1 LYS 388 HB2 -0.00 0.14 0.19 -0.04 1.87 2.15 2ozaA1 LYS 388 HB3 -0.00 0.24 0.18 -0.04 1.79 2.16 2ozaA1 LYS 388 HG2 -0.00 -0.01 -0.19 -0.04 1.46 1.21 2ozaA1 LYS 388 HG3 -0.00 -0.05 0.03 -0.04 1.46 1.39 2ozaA1 LYS 388 HD2 -0.00 0.04 0.06 -0.04 1.69 1.74 2ozaA1 LYS 388 HD3 -0.00 -0.04 0.02 -0.04 1.68 1.61 2ozaA1 LYS 388 HE2 -0.00 -0.04 0.00 -0.04 2.99 2.91 2ozaA1 LYS 388 HE3 -0.00 -0.00 0.00 -0.04 2.99 2.95 2ozaA1 LYS 389 H -0.00 0.38 -0.12 -0.55 8.42 8.12 2ozaA1 LYS 389 HA -0.00 0.03 0.34 -0.75 4.32 3.93 2ozaA1 LYS 389 HB2 -0.00 -0.07 0.11 -0.04 1.87 1.86 2ozaA1 LYS 389 HB3 -0.00 0.10 0.16 -0.04 1.79 2.00 2ozaA1 LYS 389 HG2 -0.00 0.06 -0.10 -0.04 1.46 1.37 2ozaA1 LYS 389 HG3 -0.00 -0.03 -0.04 -0.04 1.46 1.34 2ozaA1 LYS 389 HD2 -0.00 -0.03 -0.01 -0.04 1.69 1.60 2ozaA1 LYS 389 HD3 -0.00 -0.04 -0.00 -0.04 1.68 1.59 2ozaA1 LYS 389 HE2 -0.00 -0.01 0.04 -0.04 2.99 2.98 2ozaA1 LYS 389 HE3 -0.00 0.03 0.03 -0.04 2.99 3.01 2ozaA1 ALA 390 H -0.00 0.35 -0.82 -0.55 8.40 7.38 2ozaA1 ALA 390 HA -0.00 0.12 0.51 -0.75 4.34 4.21 2ozaA1 ALA 390 HB3 -0.00 -0.00 -0.01 -0.04 1.41 1.35