============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TYR 1 0.840 89.650 56.413 247.436 -99.200 -91.000 PHE 4 1.000 87.695 61.642 253.049 -99.200 -91.000 HIS 14 0.900 81.575 58.394 248.836 -99.200 -91.000 TYR 38 0.840 90.343 52.913 225.504 -99.200 -91.000 PHE 39 1.000 91.097 60.203 220.323 -99.200 -91.000 PHE 40 1.000 97.467 56.012 221.146 -99.200 -91.000 PHE 49 1.000 100.160 53.106 225.456 -99.200 -91.000 PHE 57 1.000 92.092 52.831 230.113 -99.200 -91.000 TYR 59 0.840 91.512 46.223 220.631 -99.200 -91.000 TYR 62 0.840 95.904 45.453 224.563 -99.200 -91.000 HIS 106 0.900 101.623 18.372 242.732 -99.200 -91.000 TYR 114 0.840 81.238 26.868 240.912 -99.200 -91.000 PHE 120 1.000 91.642 25.374 234.027 -99.200 -91.000 PHE 155 1.000 96.037 25.210 250.083 -99.200 -91.000 PHE 156 1.000 91.716 27.942 243.477 -99.200 -91.000 PHE 164 1.000 79.557 18.960 252.474 -99.200 -91.000 HIS 178 0.900 103.227 33.116 251.940 -99.200 -91.000 PHE 190 1.000 79.742 29.674 249.054 -99.200 -91.000 HIS 208 0.900 86.366 37.965 247.000 -99.200 -91.000 PHE 213 1.000 77.330 36.566 249.174 -99.200 -91.000 HIS 217 0.900 71.542 44.567 243.050 -99.200 -91.000 HIS 239 0.900 91.819 39.630 231.062 -99.200 -91.000 HIS 240 0.900 96.319 43.563 228.747 -99.200 -91.000 TYR 252 0.840 76.727 52.486 236.496 -99.200 -91.000 HIS 262 0.900 77.602 49.627 253.040 -99.200 -91.000 HIS 282 0.900 61.941 21.666 261.726 -99.200 -91.000 HIS 287 0.900 75.584 18.328 260.404 -99.200 -91.000 TYR 289 0.840 76.907 20.069 256.451 -99.200 -91.000 TYR 290 0.840 76.092 30.639 258.870 -99.200 -91.000 HIS 296 0.900 81.904 24.771 259.682 -99.200 -91.000 HIS 299 0.900 81.869 28.543 265.965 -99.200 -91.000 HIS 300 0.900 88.624 25.511 265.505 -99.200 -91.000 PHE 309 1.000 80.550 33.334 261.721 -99.200 -91.000 PHE 315 1.000 68.480 23.246 254.935 -99.200 -91.000 PHE 327 1.000 63.035 22.487 252.719 -99.200 -91.000 TYR 335 0.840 62.988 33.890 241.723 -99.200 -91.000 PHE 340 1.000 77.216 31.440 246.008 -99.200 -91.000 TYR 355 0.840 78.281 17.758 242.683 -99.200 -91.000 TRP 356 1.040 69.677 13.574 237.685 -99.200 -91.000 TRP6 356 1.020 69.036 12.465 239.672 -99.200 -91.000 TYR 366 0.840 83.573 14.301 244.114 -99.200 -91.000 PHE 375 1.000 66.782 29.258 251.800 -99.200 -91.000 PHE 377 1.000 68.917 31.425 254.877 -99.200 -91.000 PHE 382 1.000 64.818 35.309 260.953 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1i48H1 TYR 50 HA -0.04 -0.05 0.20 -0.75 4.56 3.91 1i48H1 TYR 50 HB2 -0.05 0.03 0.06 -0.04 3.06 3.06 1i48H1 TYR 50 HB3 -0.10 -0.15 0.12 -0.04 2.98 2.80 1i48H1 TYR 50 HD2 -0.04 0.05 -0.04 -0.04 7.15 7.08 1i48H1 TYR 50 HE2 0.04 0.13 -0.04 -0.04 6.85 6.93 1i48H1 ALA 51 H -0.07 0.18 0.10 -0.55 8.40 8.06 1i48H1 ALA 51 HA -0.28 0.22 0.86 -0.75 4.34 4.39 1i48H1 ALA 51 HB3 -0.88 -0.05 -0.01 -0.04 1.41 0.42 1i48H1 SER 52 H -0.38 0.04 0.16 -0.55 8.46 7.73 1i48H1 SER 52 HA -0.12 0.30 0.81 -0.75 4.49 4.73 1i48H1 SER 52 HB2 -0.01 0.04 0.01 -0.04 3.95 3.95 1i48H1 SER 52 HB3 -0.04 0.05 0.05 -0.04 3.93 3.94 1i48H1 PHE 53 H -0.08 0.05 0.11 -0.55 8.34 7.87 1i48H1 PHE 53 HA -0.02 0.07 0.29 -0.75 4.62 4.21 1i48H1 PHE 53 HB2 -0.04 0.02 0.05 -0.04 3.15 3.14 1i48H1 PHE 53 HB3 -0.04 0.02 0.12 -0.04 3.06 3.11 1i48H1 PHE 53 HD2 -0.07 0.01 -0.06 -0.04 7.28 7.13 1i48H1 PHE 53 HE2 -0.11 0.03 -0.02 -0.04 7.38 7.24 1i48H1 PHE 53 HZ -0.14 0.04 -0.05 -0.04 7.32 7.14 1i48H1 LEU 54 H -0.49 0.01 -0.93 -0.55 8.37 6.42 1i48H1 LEU 54 HA 0.00 0.06 0.79 -0.75 4.35 4.45 1i48H1 LEU 54 HB2 -0.22 0.00 -0.10 -0.04 1.64 1.29 1i48H1 LEU 54 HB3 -0.03 -0.01 -0.21 -0.04 1.64 1.35 1i48H1 LEU 54 HG -0.10 -0.08 -0.24 -0.04 1.64 1.18 1i48H1 LEU 54 HD13 0.06 0.00 -0.15 -0.04 0.93 0.80 1i48H1 LEU 54 HD23 0.08 0.01 -0.12 -0.04 0.89 0.82 1i48H1 ASN 55 H -0.00 -0.10 0.16 -0.55 8.53 8.04 1i48H1 ASN 55 HA -0.03 0.30 0.89 -0.75 4.76 5.17 1i48H1 ASN 55 HB2 -0.00 -0.08 0.03 -0.04 2.88 2.78 1i48H1 ASN 55 HB3 -0.01 -0.00 0.02 -0.04 2.79 2.76 1i48H1 ASN 55 HD21 -0.00 0.13 -0.21 -0.04 7.03 6.91 1i48H1 ASN 55 HD22 0.01 -0.09 -0.30 -0.04 7.74 7.32 1i48H1 SER 56 H 0.00 -0.03 0.18 -0.55 8.46 8.06 1i48H1 SER 56 HA -0.01 0.20 0.65 -0.75 4.49 4.58 1i48H1 SER 56 HB2 0.01 0.09 0.16 -0.04 3.95 4.17 1i48H1 SER 56 HB3 0.01 -0.15 0.14 -0.04 3.93 3.89 1i48H1 ASP 57 H -0.03 0.27 0.20 -0.55 8.40 8.30 1i48H1 ASP 57 HA -0.05 0.15 0.33 -0.75 4.63 4.30 1i48H1 ASP 57 HB2 -0.03 -0.05 0.17 -0.04 2.71 2.76 1i48H1 ASP 57 HB3 -0.06 -0.03 -0.03 -0.04 2.70 2.55 1i48H1 GLY 58 H -0.08 0.10 -0.21 -0.55 8.43 7.69 1i48H1 GLY 58 HA2 -0.74 -0.01 0.35 -0.51 4.01 3.09 1i48H1 GLY 58 HA3 -0.56 0.04 0.26 -0.51 4.01 3.24 1i48H1 SER 59 H -0.08 0.10 -0.22 -0.55 8.46 7.72 1i48H1 SER 59 HA 0.04 0.07 0.37 -0.75 4.49 4.21 1i48H1 SER 59 HB2 0.01 0.10 0.08 -0.04 3.95 4.10 1i48H1 SER 59 HB3 0.08 0.01 0.04 -0.04 3.93 4.02 1i48H1 VAL 60 H -0.06 0.39 -0.32 -0.55 8.24 7.71 1i48H1 VAL 60 HA 0.03 -0.02 0.40 -0.75 4.13 3.78 1i48H1 VAL 60 HB -0.06 0.10 0.15 -0.04 2.12 2.27 1i48H1 VAL 60 HG13 -0.08 0.01 -0.20 -0.04 0.97 0.65 1i48H1 VAL 60 HG23 -0.02 0.03 -0.22 -0.04 0.95 0.70 1i48H1 ALA 61 H -0.12 0.72 0.11 -0.55 8.40 8.57 1i48H1 ALA 61 HA -0.09 -0.03 0.29 -0.75 4.34 3.75 1i48H1 ALA 61 HB3 -0.12 -0.00 0.11 -0.04 1.41 1.36 1i48H1 ILE 62 H -0.07 0.03 -1.25 -0.55 8.25 6.41 1i48H1 ILE 62 HA -0.10 0.17 0.83 -0.75 4.18 4.32 1i48H1 ILE 62 HB 0.01 0.08 0.16 -0.04 1.89 2.10 1i48H1 ILE 62 HG12 0.01 0.11 0.13 -0.04 1.49 1.69 1i48H1 ILE 62 HG13 -0.09 0.03 -0.06 -0.04 1.21 1.04 1i48H1 ILE 62 HG23 -0.43 -0.04 -0.14 -0.04 0.93 0.29 1i48H1 ILE 62 HD13 0.13 -0.07 -0.04 -0.04 0.88 0.85 1i48H1 HIS 63 H 0.11 0.42 0.26 -0.55 8.41 8.65 1i48H1 HIS 63 HA 0.05 0.23 1.00 -0.75 4.63 5.16 1i48H1 HIS 63 HB2 0.14 0.07 0.09 -0.04 3.26 3.52 1i48H1 HIS 63 HB3 0.21 -0.19 0.16 -0.04 3.20 3.34 1i48H1 HIS 63 HD2 0.06 0.13 0.05 -0.04 6.97 7.17 1i48H1 HIS 63 HE1 0.06 -0.00 -0.02 -0.04 7.75 7.74 1i48H1 ALA 64 H -0.05 0.93 0.08 -0.55 8.40 8.81 1i48H1 ALA 64 HA -0.83 -0.09 0.41 -0.75 4.34 3.07 1i48H1 ALA 64 HB3 -0.24 -0.01 -0.01 -0.04 1.41 1.11 1i48H1 GLY 65 H -1.45 0.07 0.16 -0.55 8.43 6.67 1i48H1 GLY 65 HA2 -0.05 -0.02 0.30 -0.51 4.01 3.73 1i48H1 GLY 65 HA3 -0.13 0.04 0.36 -0.51 4.01 3.77 1i48H1 GLU 66 H 0.22 0.14 -0.17 -0.55 8.60 8.25 1i48H1 GLU 66 HA 0.10 0.18 0.67 -0.75 4.29 4.49 1i48H1 GLU 66 HB2 0.05 0.06 -0.28 -0.04 2.09 1.87 1i48H1 GLU 66 HB3 0.09 0.02 -0.05 -0.04 1.99 2.00 1i48H1 GLU 66 HG2 0.05 -0.03 -0.06 -0.04 2.34 2.25 1i48H1 GLU 66 HG3 0.02 0.13 -0.17 -0.04 2.34 2.29 1i48H1 ARG 67 H 0.27 0.29 0.15 -0.55 8.46 8.61 1i48H1 ARG 67 HA 0.22 0.07 0.30 -0.75 4.34 4.18 1i48H1 ARG 67 HB2 0.47 0.02 0.18 -0.04 1.90 2.53 1i48H1 ARG 67 HB3 0.30 -0.08 0.08 -0.04 1.80 2.06 1i48H1 ARG 67 HG2 -0.00 -0.06 -0.03 -0.04 1.67 1.54 1i48H1 ARG 67 HG3 0.10 0.01 -0.18 -0.04 1.67 1.56 1i48H1 ARG 67 HD2 0.18 0.07 0.09 -0.04 3.22 3.51 1i48H1 ARG 67 HD3 0.15 -0.00 0.02 -0.04 3.22 3.35 1i48H1 LEU 68 H 0.25 -0.05 -0.34 -0.55 8.37 7.69 1i48H1 LEU 68 HA 0.04 0.07 0.56 -0.75 4.35 4.27 1i48H1 LEU 68 HB2 0.04 -0.08 0.10 -0.04 1.64 1.66 1i48H1 LEU 68 HB3 -0.02 0.00 -0.01 -0.04 1.64 1.57 1i48H1 LEU 68 HG -0.31 -0.06 -0.04 -0.04 1.64 1.18 1i48H1 LEU 68 HD13 -0.66 0.00 -0.07 -0.04 0.93 0.17 1i48H1 LEU 68 HD23 0.02 0.00 -0.03 -0.04 0.89 0.85 1i48H1 GLY 69 H 0.15 0.10 0.02 -0.55 8.43 8.16 1i48H1 GLY 69 HA2 0.06 0.19 0.71 -0.51 4.01 4.46 1i48H1 GLY 69 HA3 0.06 -0.08 0.28 -0.51 4.01 3.76 1i48H1 ARG 70 H 0.06 -0.16 0.22 -0.55 8.46 8.02 1i48H1 ARG 70 HA 0.07 0.33 0.76 -0.75 4.34 4.75 1i48H1 ARG 70 HB2 0.06 0.04 -0.15 -0.04 1.90 1.81 1i48H1 ARG 70 HB3 0.05 -0.14 -0.07 -0.04 1.80 1.60 1i48H1 ARG 70 HG2 0.05 -0.03 0.12 -0.04 1.67 1.78 1i48H1 ARG 70 HG3 0.06 0.24 0.07 -0.04 1.67 2.00 1i48H1 ARG 70 HD2 0.05 -0.08 -0.05 -0.04 3.22 3.10 1i48H1 ARG 70 HD3 0.05 -0.03 -0.03 -0.04 3.22 3.18 1i48H1 GLY 71 H 0.05 -0.03 0.19 -0.55 8.43 8.09 1i48H1 GLY 71 HA2 0.03 0.03 0.36 -0.51 4.01 3.92 1i48H1 GLY 71 HA3 0.05 0.15 0.43 -0.51 4.01 4.13 1i48H1 ILE 72 H 0.04 -0.11 -0.46 -0.55 8.25 7.17 1i48H1 ILE 72 HA 0.04 0.17 0.69 -0.75 4.18 4.33 1i48H1 ILE 72 HB 0.05 0.13 -0.23 -0.04 1.89 1.80 1i48H1 ILE 72 HG12 0.04 0.03 0.10 -0.04 1.49 1.62 1i48H1 ILE 72 HG13 0.03 -0.08 -0.03 -0.04 1.21 1.10 1i48H1 ILE 72 HG23 0.04 -0.00 -0.19 -0.04 0.93 0.73 1i48H1 ILE 72 HD13 0.02 0.01 0.04 -0.04 0.88 0.90 1i48H1 VAL 73 H 0.03 -0.13 -0.01 -0.55 8.24 7.58 1i48H1 VAL 73 HA 0.03 -0.03 0.40 -0.75 4.13 3.78 1i48H1 VAL 73 HB 0.02 0.06 -0.03 -0.04 2.12 2.12 1i48H1 VAL 73 HG13 0.02 0.01 -0.03 -0.04 0.97 0.92 1i48H1 VAL 73 HG23 0.02 -0.01 -0.10 -0.04 0.95 0.82 1i48H1 THR 74 H 0.03 0.30 0.15 -0.55 8.28 8.21 1i48H1 THR 74 HA 0.02 0.08 0.58 -0.75 4.39 4.32 1i48H1 THR 74 HB 0.02 -0.24 -0.01 -0.04 4.32 4.05 1i48H1 THR 74 HG23 0.01 0.10 0.12 -0.04 1.22 1.41 1i48H1 ASP 75 H 0.02 0.16 0.11 -0.55 8.40 8.13 1i48H1 ASP 75 HA 0.02 0.19 0.60 -0.75 4.63 4.69 1i48H1 ASP 75 HB2 0.01 0.02 0.17 -0.04 2.71 2.88 1i48H1 ASP 75 HB3 0.01 0.01 0.08 -0.04 2.70 2.76 1i48H1 ALA 76 H 0.02 -0.04 -0.74 -0.55 8.40 7.10 1i48H1 ALA 76 HA 0.02 0.05 0.60 -0.75 4.34 4.26 1i48H1 ALA 76 HB3 0.02 -0.00 -0.05 -0.04 1.41 1.34 1i48H1 ILE 77 H 0.03 0.04 0.12 -0.55 8.25 7.89 1i48H1 ILE 77 HA 0.05 0.13 0.39 -0.75 4.18 3.99 1i48H1 ILE 77 HB 0.03 -0.11 0.15 -0.04 1.89 1.93 1i48H1 ILE 77 HG12 0.04 0.01 0.01 -0.04 1.49 1.51 1i48H1 ILE 77 HG13 0.04 0.06 -0.02 -0.04 1.21 1.25 1i48H1 ILE 77 HG23 0.04 0.01 -0.18 -0.04 0.93 0.75 1i48H1 ILE 77 HD13 0.03 -0.01 0.04 -0.04 0.88 0.90 1i48H1 THR 78 H 0.05 -0.06 -0.05 -0.55 8.28 7.67 1i48H1 THR 78 HA 0.06 0.16 0.39 -0.75 4.39 4.25 1i48H1 THR 78 HB 0.23 0.02 0.04 -0.04 4.32 4.57 1i48H1 THR 78 HG23 0.08 -0.01 -0.01 -0.04 1.22 1.24 1i48H1 THR 79 H 0.16 0.11 0.06 -0.55 8.28 8.07 1i48H1 THR 79 HA 0.07 0.19 0.55 -0.75 4.39 4.45 1i48H1 THR 79 HB 0.13 -0.06 0.11 -0.04 4.32 4.46 1i48H1 THR 79 HG23 0.10 -0.01 -0.16 -0.04 1.22 1.11 1i48H1 PRO 80 HA -0.05 0.02 0.42 -0.51 4.44 4.33 1i48H1 PRO 80 HB2 -0.01 -0.01 -0.12 -0.04 2.28 2.09 1i48H1 PRO 80 HB3 -0.01 0.03 0.01 -0.04 2.02 2.01 1i48H1 PRO 80 HG2 0.02 -0.05 0.00 -0.04 2.03 1.96 1i48H1 PRO 80 HG3 0.02 0.12 -0.02 -0.04 2.03 2.11 1i48H1 PRO 80 HD2 0.05 0.07 0.15 -0.04 3.68 3.90 1i48H1 PRO 80 HD3 0.04 0.29 0.12 -0.04 3.65 4.06 1i48H1 VAL 81 H -0.12 0.15 0.10 -0.55 8.24 7.83 1i48H1 VAL 81 HA -0.03 0.09 0.66 -0.75 4.13 4.10 1i48H1 VAL 81 HB -0.14 0.01 0.15 -0.04 2.12 2.09 1i48H1 VAL 81 HG13 -0.06 -0.02 -0.26 -0.04 0.97 0.59 1i48H1 VAL 81 HG23 -0.34 0.03 -0.03 -0.04 0.95 0.56 1i48H1 VAL 82 H -0.03 0.14 0.13 -0.55 8.24 7.92 1i48H1 VAL 82 HA -0.06 0.17 0.73 -0.75 4.13 4.22 1i48H1 VAL 82 HB -0.06 -0.14 0.24 -0.04 2.12 2.11 1i48H1 VAL 82 HG13 -0.07 -0.01 -0.10 -0.04 0.97 0.75 1i48H1 VAL 82 HG23 -0.02 0.06 -0.07 -0.04 0.95 0.87 1i48H1 ASN 83 H -0.08 0.26 0.11 -0.55 8.53 8.28 1i48H1 ASN 83 HA -0.09 0.15 0.80 -0.75 4.76 4.86 1i48H1 ASN 83 HB2 -0.07 0.04 0.19 -0.04 2.88 2.99 1i48H1 ASN 83 HB3 -0.08 0.02 0.20 -0.04 2.79 2.89 1i48H1 ASN 83 HD21 -0.06 -0.04 -0.04 -0.04 7.03 6.85 1i48H1 ASN 83 HD22 -0.07 0.07 0.00 -0.04 7.74 7.70 1i48H1 THR 84 H -0.18 0.32 -0.06 -0.55 8.28 7.81 1i48H1 THR 84 HA -0.19 0.20 1.02 -0.75 4.39 4.66 1i48H1 THR 84 HB -0.24 -0.04 -0.05 -0.04 4.32 3.94 1i48H1 THR 84 HG23 -0.75 -0.01 -0.15 -0.04 1.22 0.26 1i48H1 SER 85 H -0.24 0.15 0.20 -0.55 8.46 8.03 1i48H1 SER 85 HA -0.29 0.18 0.78 -0.75 4.49 4.40 1i48H1 SER 85 HB2 -0.20 0.03 0.13 -0.04 3.95 3.86 1i48H1 SER 85 HB3 -0.16 0.01 0.08 -0.04 3.93 3.82 1i48H1 ALA 86 H -0.42 0.14 0.08 -0.55 8.40 7.66 1i48H1 ALA 86 HA -0.43 0.01 0.56 -0.75 4.34 3.73 1i48H1 ALA 86 HB3 -0.13 0.05 -0.01 -0.04 1.41 1.28 1i48H1 TYR 87 H 0.09 0.56 0.19 -0.55 8.29 8.58 1i48H1 TYR 87 HA -0.08 0.10 0.90 -0.75 4.56 4.73 1i48H1 TYR 87 HB2 -0.22 -0.02 0.01 -0.04 3.06 2.79 1i48H1 TYR 87 HB3 -0.30 0.06 0.03 -0.04 2.98 2.73 1i48H1 TYR 87 HD2 -0.09 0.06 -0.43 -0.04 7.15 6.65 1i48H1 TYR 87 HE2 -0.24 0.07 -0.39 -0.04 6.85 6.25 1i48H1 PHE 88 H 0.02 0.10 0.11 -0.55 8.34 8.03 1i48H1 PHE 88 HA 0.08 0.18 0.72 -0.75 4.62 4.84 1i48H1 PHE 88 HB2 0.05 0.02 0.11 -0.04 3.15 3.30 1i48H1 PHE 88 HB3 -0.01 -0.01 0.03 -0.04 3.06 3.03 1i48H1 PHE 88 HD2 -0.01 0.07 -0.19 -0.04 7.28 7.12 1i48H1 PHE 88 HE2 -0.01 -0.00 -0.11 -0.04 7.38 7.22 1i48H1 PHE 88 HZ -0.01 0.02 -0.05 -0.04 7.32 7.23 1i48H1 PHE 89 H 0.51 0.26 0.16 -0.55 8.34 8.72 1i48H1 PHE 89 HA -0.13 0.17 0.80 -0.75 4.62 4.72 1i48H1 PHE 89 HB2 0.08 -0.00 -0.06 -0.04 3.15 3.12 1i48H1 PHE 89 HB3 0.03 -0.09 -0.01 -0.04 3.06 2.95 1i48H1 PHE 89 HD2 0.02 -0.06 -0.13 -0.04 7.28 7.07 1i48H1 PHE 89 HE2 -0.13 0.06 -0.05 -0.04 7.38 7.22 1i48H1 PHE 89 HZ -0.26 0.00 -0.06 -0.04 7.32 6.96 1i48H1 ASN 90 H 0.15 0.15 0.13 -0.55 8.53 8.41 1i48H1 ASN 90 HA 0.27 0.14 0.49 -0.75 4.76 4.90 1i48H1 ASN 90 HB2 0.11 -0.05 0.15 -0.04 2.88 3.05 1i48H1 ASN 90 HB3 0.12 0.04 0.03 -0.04 2.79 2.94 1i48H1 ASN 90 HD21 0.05 0.06 0.01 -0.04 7.03 7.11 1i48H1 ASN 90 HD22 0.04 -0.03 0.07 -0.04 7.74 7.78 1i48H1 LYS 91 H 0.16 0.11 0.01 -0.55 8.42 8.15 1i48H1 LYS 91 HA 0.09 0.23 0.58 -0.75 4.32 4.47 1i48H1 LYS 91 HB2 0.05 -0.10 0.03 -0.04 1.87 1.82 1i48H1 LYS 91 HB3 0.06 0.22 0.05 -0.04 1.79 2.08 1i48H1 LYS 91 HG2 0.07 0.10 -0.24 -0.04 1.46 1.35 1i48H1 LYS 91 HG3 0.08 -0.16 0.02 -0.04 1.46 1.36 1i48H1 LYS 91 HD2 0.05 -0.05 -0.03 -0.04 1.69 1.62 1i48H1 LYS 91 HD3 0.04 0.02 -0.02 -0.04 1.68 1.68 1i48H1 LYS 91 HE2 0.04 0.06 -0.04 -0.04 2.99 3.01 1i48H1 LYS 91 HE3 0.05 0.01 -0.03 -0.04 2.99 2.97 1i48H1 THR 92 H 0.04 0.27 0.12 -0.55 8.28 8.16 1i48H1 THR 92 HA -0.02 0.08 0.33 -0.75 4.39 4.03 1i48H1 THR 92 HB 0.01 0.03 0.01 -0.04 4.32 4.33 1i48H1 THR 92 HG23 -0.02 0.03 0.00 -0.04 1.22 1.19 1i48H1 SER 93 H 0.03 0.11 -0.21 -0.55 8.46 7.85 1i48H1 SER 93 HA 0.02 0.11 0.34 -0.75 4.49 4.20 1i48H1 SER 93 HB2 0.03 0.09 0.03 -0.04 3.95 4.06 1i48H1 SER 93 HB3 0.03 0.01 0.08 -0.04 3.93 4.00 1i48H1 GLU 94 H 0.07 0.18 -0.25 -0.55 8.60 8.05 1i48H1 GLU 94 HA 0.09 0.08 0.42 -0.75 4.29 4.12 1i48H1 GLU 94 HB2 0.15 0.04 0.21 -0.04 2.09 2.45 1i48H1 GLU 94 HB3 0.21 0.02 -0.00 -0.04 1.99 2.17 1i48H1 GLU 94 HG2 0.08 0.07 0.04 -0.04 2.34 2.49 1i48H1 GLU 94 HG3 0.08 -0.02 0.04 -0.04 2.34 2.39 1i48H1 LEU 95 H 0.01 0.33 -0.07 -0.55 8.37 8.09 1i48H1 LEU 95 HA -0.38 0.00 0.32 -0.75 4.35 3.54 1i48H1 LEU 95 HB2 -0.66 -0.07 0.03 -0.04 1.64 0.90 1i48H1 LEU 95 HB3 -0.18 0.09 0.14 -0.04 1.64 1.64 1i48H1 LEU 95 HG -0.20 0.05 -0.31 -0.04 1.64 1.14 1i48H1 LEU 95 HD13 -0.86 -0.01 0.02 -0.04 0.93 0.05 1i48H1 LEU 95 HD23 -0.20 -0.01 -0.04 -0.04 0.89 0.60 1i48H1 ILE 96 H -0.02 0.59 -0.31 -0.55 8.25 7.96 1i48H1 ILE 96 HA -0.03 0.04 0.39 -0.75 4.18 3.83 1i48H1 ILE 96 HB 0.00 0.15 0.17 -0.04 1.89 2.17 1i48H1 ILE 96 HG12 -0.02 0.01 -0.02 -0.04 1.49 1.43 1i48H1 ILE 96 HG13 -0.03 -0.03 -0.05 -0.04 1.21 1.06 1i48H1 ILE 96 HG23 -0.01 -0.00 -0.20 -0.04 0.93 0.68 1i48H1 ILE 96 HD13 -0.01 -0.03 -0.10 -0.04 0.88 0.70 1i48H1 ASP 97 H 0.04 0.51 -0.01 -0.55 8.40 8.40 1i48H1 ASP 97 HA 0.02 0.06 0.31 -0.75 4.63 4.27 1i48H1 ASP 97 HB2 0.09 0.12 0.24 -0.04 2.71 3.13 1i48H1 ASP 97 HB3 0.07 -0.06 -0.14 -0.04 2.70 2.53 1i48H1 PHE 98 H 0.24 0.62 -0.11 -0.55 8.34 8.54 1i48H1 PHE 98 HA 0.04 -0.13 0.39 -0.75 4.62 4.16 1i48H1 PHE 98 HB2 0.17 -0.08 -0.09 -0.04 3.15 3.10 1i48H1 PHE 98 HB3 0.16 0.09 0.06 -0.04 3.06 3.32 1i48H1 PHE 98 HD2 0.06 0.06 -0.14 -0.04 7.28 7.22 1i48H1 PHE 98 HE2 0.08 0.04 -0.03 -0.04 7.38 7.44 1i48H1 PHE 98 HZ 0.09 0.05 -0.15 -0.04 7.32 7.27 1i48H1 LYS 99 H 0.04 0.55 -0.15 -0.55 8.42 8.30 1i48H1 LYS 99 HA -0.44 0.01 0.45 -0.75 4.32 3.59 1i48H1 LYS 99 HB2 -0.05 0.09 0.21 -0.04 1.87 2.08 1i48H1 LYS 99 HB3 -0.08 -0.04 0.03 -0.04 1.79 1.66 1i48H1 LYS 99 HG2 0.10 -0.03 0.05 -0.04 1.46 1.55 1i48H1 LYS 99 HG3 -0.02 -0.07 0.00 -0.04 1.46 1.34 1i48H1 LYS 99 HD2 -0.02 -0.03 0.02 -0.04 1.69 1.62 1i48H1 LYS 99 HD3 -0.11 0.04 0.09 -0.04 1.68 1.66 1i48H1 LYS 99 HE2 0.28 -0.01 -0.03 -0.04 2.99 3.18 1i48H1 LYS 99 HE3 0.13 -0.04 -0.01 -0.04 2.99 3.03 1i48H1 GLU 100 H -0.07 0.48 -0.41 -0.55 8.60 8.05 1i48H1 GLU 100 HA -0.08 0.07 0.66 -0.75 4.29 4.19 1i48H1 GLU 100 HB2 -0.03 0.02 0.08 -0.04 2.09 2.12 1i48H1 GLU 100 HB3 -0.03 -0.07 0.13 -0.04 1.99 1.97 1i48H1 GLU 100 HG2 -0.04 -0.03 -0.12 -0.04 2.34 2.11 1i48H1 GLU 100 HG3 -0.02 -0.08 -0.13 -0.04 2.34 2.06 1i48H1 LYS 101 H -0.20 0.44 -0.53 -0.55 8.42 7.57 1i48H1 LYS 101 HA -0.14 0.07 0.39 -0.75 4.32 3.89 1i48H1 LYS 101 HB2 -0.08 0.08 -0.35 -0.04 1.87 1.48 1i48H1 LYS 101 HB3 -0.06 -0.06 0.28 -0.04 1.79 1.90 1i48H1 LYS 101 HG2 -0.08 -0.06 0.01 -0.04 1.46 1.29 1i48H1 LYS 101 HG3 -0.12 -0.01 0.07 -0.04 1.46 1.35 1i48H1 LYS 101 HD2 -0.24 0.14 -0.07 -0.04 1.69 1.48 1i48H1 LYS 101 HD3 -0.12 -0.02 -0.08 -0.04 1.68 1.41 1i48H1 LYS 101 HE2 -0.14 -0.05 0.02 -0.04 2.99 2.78 1i48H1 LYS 101 HE3 -0.27 0.02 0.03 -0.04 2.99 2.73 1i48H1 ARG 102 H -0.00 0.29 -0.05 -0.55 8.46 8.14 1i48H1 ARG 102 HA 0.00 0.20 0.83 -0.75 4.34 4.61 1i48H1 ARG 102 HB2 0.02 -0.02 -0.04 -0.04 1.90 1.82 1i48H1 ARG 102 HB3 0.02 -0.10 0.01 -0.04 1.80 1.70 1i48H1 ARG 102 HG2 -0.00 0.07 -0.03 -0.04 1.67 1.66 1i48H1 ARG 102 HG3 -0.01 0.14 -0.21 -0.04 1.67 1.55 1i48H1 ARG 102 HD2 0.01 -0.06 0.00 -0.04 3.22 3.13 1i48H1 ARG 102 HD3 -0.00 0.00 -0.02 -0.04 3.22 3.16 1i48H1 ARG 103 H 0.09 0.11 -0.03 -0.55 8.46 8.08 1i48H1 ARG 103 HA 0.06 0.20 0.77 -0.75 4.34 4.61 1i48H1 ARG 103 HB2 0.11 -0.01 -0.17 -0.04 1.90 1.79 1i48H1 ARG 103 HB3 0.25 -0.06 -0.08 -0.04 1.80 1.87 1i48H1 ARG 103 HG2 0.06 0.13 -0.01 -0.04 1.67 1.81 1i48H1 ARG 103 HG3 0.05 0.02 0.13 -0.04 1.67 1.82 1i48H1 ARG 103 HD2 0.10 -0.03 0.00 -0.04 3.22 3.25 1i48H1 ARG 103 HD3 0.15 -0.02 -0.06 -0.04 3.22 3.24 1i48H1 ALA 104 H 0.03 0.16 0.13 -0.55 8.40 8.17 1i48H1 ALA 104 HA 0.09 0.24 0.97 -0.75 4.34 4.88 1i48H1 ALA 104 HB3 -0.07 0.01 0.01 -0.04 1.41 1.33 1i48H1 SER 105 H -0.06 0.39 0.15 -0.55 8.46 8.40 1i48H1 SER 105 HA -0.44 0.05 0.41 -0.75 4.49 3.76 1i48H1 SER 105 HB2 -0.44 0.17 -0.24 -0.04 3.95 3.40 1i48H1 SER 105 HB3 -1.18 0.03 -0.18 -0.04 3.93 2.56 1i48H1 PHE 106 H -0.30 0.12 0.04 -0.55 8.34 7.65 1i48H1 PHE 106 HA -0.05 0.23 0.52 -0.75 4.62 4.57 1i48H1 PHE 106 HB2 -1.13 -0.03 -0.27 -0.04 3.15 1.68 1i48H1 PHE 106 HB3 -0.16 0.14 -0.30 -0.04 3.06 2.69 1i48H1 PHE 106 HD2 -0.50 0.02 -0.07 -0.04 7.28 6.68 1i48H1 PHE 106 HE2 -0.13 0.03 -0.11 -0.04 7.38 7.13 1i48H1 PHE 106 HZ -0.07 0.06 -0.12 -0.04 7.32 7.15 1i48H1 GLU 107 H -0.26 -0.02 -0.23 -0.55 8.60 7.55 1i48H1 GLU 107 HA 0.10 0.03 0.30 -0.75 4.29 3.97 1i48H1 GLU 107 HB2 0.35 0.04 -0.31 -0.04 2.09 2.12 1i48H1 GLU 107 HB3 0.63 0.14 0.36 -0.04 1.99 3.09 1i48H1 GLU 107 HG2 0.40 -0.04 -0.11 -0.04 2.34 2.55 1i48H1 GLU 107 HG3 0.49 -0.03 -0.02 -0.04 2.34 2.73 1i48H1 TYR 108 H 0.33 0.71 0.20 -0.55 8.29 8.98 1i48H1 TYR 108 HA 0.04 0.11 0.97 -0.75 4.56 4.92 1i48H1 TYR 108 HB2 -0.41 0.05 0.00 -0.04 3.06 2.66 1i48H1 TYR 108 HB3 -1.22 -0.05 0.08 -0.04 2.98 1.75 1i48H1 TYR 108 HD2 -0.22 -0.10 0.09 -0.04 7.15 6.88 1i48H1 TYR 108 HE2 -0.08 0.00 0.06 -0.04 6.85 6.79 1i48H1 GLY 109 H -0.80 0.45 0.18 -0.55 8.43 7.71 1i48H1 GLY 109 HA2 0.09 0.17 0.33 -0.51 4.01 4.09 1i48H1 GLY 109 HA3 -0.27 0.10 0.28 -0.51 4.01 3.62 1i48H1 ARG 110 H 0.03 0.07 -0.19 -0.55 8.46 7.81 1i48H1 ARG 110 HA 0.10 0.04 0.50 -0.75 4.34 4.22 1i48H1 ARG 110 HB2 0.18 -0.03 0.11 -0.04 1.90 2.12 1i48H1 ARG 110 HB3 -0.02 0.08 0.02 -0.04 1.80 1.84 1i48H1 ARG 110 HG2 0.09 -0.01 0.11 -0.04 1.67 1.82 1i48H1 ARG 110 HG3 0.05 -0.11 0.06 -0.04 1.67 1.63 1i48H1 ARG 110 HD2 0.10 0.41 0.11 -0.04 3.22 3.80 1i48H1 ARG 110 HD3 0.02 -0.08 0.05 -0.04 3.22 3.17 1i48H1 TYR 111 H 0.01 0.26 -0.40 -0.55 8.29 7.61 1i48H1 TYR 111 HA -0.25 0.11 0.69 -0.75 4.56 4.36 1i48H1 TYR 111 HB2 0.10 0.36 0.28 -0.04 3.06 3.75 1i48H1 TYR 111 HB3 -0.12 -0.04 0.27 -0.04 2.98 3.05 1i48H1 TYR 111 HD2 -0.24 0.06 -0.05 -0.04 7.15 6.88 1i48H1 TYR 111 HE2 -0.02 0.08 0.01 -0.04 6.85 6.88 1i48H1 GLY 112 H 0.24 0.33 -0.48 -0.55 8.43 7.97 1i48H1 GLY 112 HA2 0.25 -0.04 0.26 -0.51 4.01 3.98 1i48H1 GLY 112 HA3 0.51 0.16 0.84 -0.51 4.01 5.01 1i48H1 ASN 113 H 0.05 0.19 0.15 -0.55 8.53 8.38 1i48H1 ASN 113 HA -0.72 0.17 0.55 -0.75 4.76 4.00 1i48H1 ASN 113 HB2 -0.07 0.33 -0.06 -0.04 2.88 3.04 1i48H1 ASN 113 HB3 -0.05 -0.11 0.04 -0.04 2.79 2.62 1i48H1 ASN 113 HD21 -0.08 0.37 0.27 -0.04 7.03 7.55 1i48H1 ASN 113 HD22 -0.08 0.12 0.17 -0.04 7.74 7.91 1i48H1 PRO 114 HA 0.14 0.12 0.44 -0.51 4.44 4.62 1i48H1 PRO 114 HB2 0.02 0.12 -0.01 -0.04 2.28 2.36 1i48H1 PRO 114 HB3 0.08 0.12 0.10 -0.04 2.02 2.28 1i48H1 PRO 114 HG2 -0.07 -0.06 0.16 -0.04 2.03 2.02 1i48H1 PRO 114 HG3 -0.03 0.10 0.09 -0.04 2.03 2.15 1i48H1 PRO 114 HD2 -0.29 0.15 0.26 -0.04 3.68 3.75 1i48H1 PRO 114 HD3 -1.05 0.16 0.13 -0.04 3.65 2.86 1i48H1 THR 115 H -0.05 0.09 -0.05 -0.55 8.28 7.72 1i48H1 THR 115 HA 0.03 0.21 0.43 -0.75 4.39 4.31 1i48H1 THR 115 HB -0.02 -0.11 0.21 -0.04 4.32 4.36 1i48H1 THR 115 HG23 0.03 -0.03 -0.20 -0.04 1.22 0.98 1i48H1 THR 116 H -0.02 0.07 -0.42 -0.55 8.28 7.37 1i48H1 THR 116 HA 0.02 0.07 0.52 -0.75 4.39 4.25 1i48H1 THR 116 HB 0.03 0.05 0.18 -0.04 4.32 4.54 1i48H1 THR 116 HG23 0.04 0.00 -0.15 -0.04 1.22 1.07 1i48H1 VAL 117 H 0.08 0.67 0.15 -0.55 8.24 8.59 1i48H1 VAL 117 HA 0.07 -0.01 0.33 -0.75 4.13 3.77 1i48H1 VAL 117 HB 0.10 -0.00 0.06 -0.04 2.12 2.23 1i48H1 VAL 117 HG13 0.30 0.06 0.03 -0.04 0.97 1.33 1i48H1 VAL 117 HG23 0.12 0.07 0.03 -0.04 0.95 1.13 1i48H1 VAL 118 H 0.04 0.30 -0.58 -0.55 8.24 7.45 1i48H1 VAL 118 HA 0.01 0.09 0.43 -0.75 4.13 3.91 1i48H1 VAL 118 HB 0.01 0.00 0.14 -0.04 2.12 2.24 1i48H1 VAL 118 HG13 -0.01 0.09 -0.05 -0.04 0.97 0.96 1i48H1 VAL 118 HG23 0.04 0.08 0.12 -0.04 0.95 1.16 1i48H1 LEU 119 H -0.01 0.27 -0.00 -0.55 8.37 8.09 1i48H1 LEU 119 HA -0.05 0.04 0.31 -0.75 4.35 3.89 1i48H1 LEU 119 HB2 -0.04 0.03 0.11 -0.04 1.64 1.70 1i48H1 LEU 119 HB3 -0.01 0.10 0.12 -0.04 1.64 1.81 1i48H1 LEU 119 HG -0.03 -0.03 -0.32 -0.04 1.64 1.22 1i48H1 LEU 119 HD13 -0.05 -0.03 -0.01 -0.04 0.93 0.80 1i48H1 LEU 119 HD23 -0.03 0.00 -0.03 -0.04 0.89 0.78 1i48H1 GLU 120 H 0.00 0.44 -0.66 -0.55 8.60 7.83 1i48H1 GLU 120 HA -0.01 -0.07 0.29 -0.75 4.29 3.74 1i48H1 GLU 120 HB2 0.02 -0.02 0.09 -0.04 2.09 2.15 1i48H1 GLU 120 HB3 0.01 0.02 0.03 -0.04 1.99 2.01 1i48H1 GLU 120 HG2 -0.00 0.09 -0.22 -0.04 2.34 2.17 1i48H1 GLU 120 HG3 0.01 -0.10 -0.17 -0.04 2.34 2.03 1i48H1 GLU 121 H -0.01 0.88 0.18 -0.55 8.60 9.10 1i48H1 GLU 121 HA -0.03 -0.04 0.38 -0.75 4.29 3.84 1i48H1 GLU 121 HB2 -0.05 0.16 0.17 -0.04 2.09 2.33 1i48H1 GLU 121 HB3 -0.07 -0.08 0.01 -0.04 1.99 1.81 1i48H1 GLU 121 HG2 0.00 -0.06 0.05 -0.04 2.34 2.29 1i48H1 GLU 121 HG3 0.01 0.18 0.10 -0.04 2.34 2.59 1i48H1 LYS 122 H -0.07 0.79 -0.22 -0.55 8.42 8.37 1i48H1 LYS 122 HA -0.17 -0.06 0.13 -0.75 4.32 3.46 1i48H1 LYS 122 HB2 -0.08 0.13 -0.07 -0.04 1.87 1.80 1i48H1 LYS 122 HB3 -0.08 -0.05 0.03 -0.04 1.79 1.65 1i48H1 LYS 122 HG2 -0.10 -0.15 -0.14 -0.04 1.46 1.03 1i48H1 LYS 122 HG3 -0.13 0.20 -0.07 -0.04 1.46 1.42 1i48H1 LYS 122 HD2 -0.08 -0.13 -0.07 -0.04 1.69 1.38 1i48H1 LYS 122 HD3 -0.08 -0.01 -0.03 -0.04 1.68 1.51 1i48H1 LYS 122 HE2 -0.08 0.00 -0.17 -0.04 2.99 2.70 1i48H1 LYS 122 HE3 -0.09 0.03 -0.06 -0.04 2.99 2.83 1i48H1 ILE 123 H -0.06 0.61 -0.13 -0.55 8.25 8.12 1i48H1 ILE 123 HA -0.06 -0.05 0.32 -0.75 4.18 3.64 1i48H1 ILE 123 HB -0.03 0.18 0.09 -0.04 1.89 2.09 1i48H1 ILE 123 HG12 -0.07 -0.09 -0.01 -0.04 1.49 1.28 1i48H1 ILE 123 HG13 -0.05 0.16 0.04 -0.04 1.21 1.32 1i48H1 ILE 123 HG23 -0.01 -0.04 -0.23 -0.04 0.93 0.60 1i48H1 ILE 123 HD13 -0.03 -0.04 -0.10 -0.04 0.88 0.68 1i48H1 SER 124 H -0.04 0.63 -0.29 -0.55 8.46 8.22 1i48H1 SER 124 HA -0.02 -0.13 0.15 -0.75 4.49 3.74 1i48H1 SER 124 HB2 -0.04 0.18 0.15 -0.04 3.95 4.19 1i48H1 SER 124 HB3 -0.02 0.11 -0.22 -0.04 3.93 3.76 1i48H1 ALA 125 H -0.08 0.67 -0.23 -0.55 8.40 8.21 1i48H1 ALA 125 HA -0.04 0.06 0.41 -0.75 4.34 4.01 1i48H1 ALA 125 HB3 -0.14 0.02 0.08 -0.04 1.41 1.32 1i48H1 LEU 126 H -0.07 0.51 -0.03 -0.55 8.37 8.22 1i48H1 LEU 126 HA -0.05 -0.02 0.36 -0.75 4.35 3.89 1i48H1 LEU 126 HB2 -0.06 0.10 0.20 -0.04 1.64 1.83 1i48H1 LEU 126 HB3 -0.06 -0.09 -0.05 -0.04 1.64 1.41 1i48H1 LEU 126 HG -0.08 0.09 -0.06 -0.04 1.64 1.55 1i48H1 LEU 126 HD13 -0.07 -0.04 -0.04 -0.04 0.93 0.73 1i48H1 LEU 126 HD23 -0.07 -0.01 0.00 -0.04 0.89 0.77 1i48H1 GLU 127 H -0.02 0.61 -0.06 -0.55 8.60 8.59 1i48H1 GLU 127 HA 0.01 0.01 0.44 -0.75 4.29 4.00 1i48H1 GLU 127 HB2 0.02 0.10 -0.04 -0.04 2.09 2.12 1i48H1 GLU 127 HB3 0.04 -0.07 0.01 -0.04 1.99 1.92 1i48H1 GLU 127 HG2 0.01 -0.01 -0.00 -0.04 2.34 2.30 1i48H1 GLU 127 HG3 0.13 -0.08 -0.07 -0.04 2.34 2.28 1i48H1 GLY 128 H -0.02 0.30 -0.98 -0.55 8.43 7.19 1i48H1 GLY 128 HA2 -0.01 0.09 0.35 -0.51 4.01 3.93 1i48H1 GLY 128 HA3 -0.01 -0.06 0.38 -0.51 4.01 3.81 1i48H1 ALA 129 H -0.01 0.65 -0.03 -0.55 8.40 8.47 1i48H1 ALA 129 HA 0.00 0.21 0.79 -0.75 4.34 4.59 1i48H1 ALA 129 HB3 0.00 -0.05 -0.06 -0.04 1.41 1.26 1i48H1 GLU 130 H 0.00 0.12 0.04 -0.55 8.60 8.22 1i48H1 GLU 130 HA 0.00 0.16 0.57 -0.75 4.29 4.26 1i48H1 GLU 130 HB2 0.00 0.00 0.17 -0.04 2.09 2.22 1i48H1 GLU 130 HB3 -0.00 -0.08 0.18 -0.04 1.99 2.05 1i48H1 GLU 130 HG2 -0.00 0.01 0.11 -0.04 2.34 2.41 1i48H1 GLU 130 HG3 -0.00 0.12 0.09 -0.04 2.34 2.51 1i48H1 SER 131 H -0.00 0.37 0.22 -0.55 8.46 8.50 1i48H1 SER 131 HA -0.00 0.14 0.49 -0.75 4.49 4.36 1i48H1 SER 131 HB2 -0.00 0.12 0.07 -0.04 3.95 4.09 1i48H1 SER 131 HB3 -0.01 -0.13 -0.19 -0.04 3.93 3.57 1i48H1 THR 132 H -0.01 0.25 0.14 -0.55 8.28 8.12 1i48H1 THR 132 HA -0.01 0.25 1.19 -0.75 4.39 5.07 1i48H1 THR 132 HB -0.01 0.13 0.04 -0.04 4.32 4.43 1i48H1 THR 132 HG23 -0.01 -0.02 -0.21 -0.04 1.22 0.94 1i48H1 LEU 133 H -0.03 0.83 0.43 -0.55 8.37 9.05 1i48H1 LEU 133 HA -0.05 0.20 0.92 -0.75 4.35 4.67 1i48H1 LEU 133 HB2 -0.07 0.06 -0.09 -0.04 1.64 1.49 1i48H1 LEU 133 HB3 -0.08 -0.05 0.09 -0.04 1.64 1.56 1i48H1 LEU 133 HG -0.24 -0.07 -0.37 -0.04 1.64 0.92 1i48H1 LEU 133 HD13 -0.23 0.00 0.00 -0.04 0.93 0.67 1i48H1 LEU 133 HD23 -0.19 -0.00 -0.20 -0.04 0.89 0.46 1i48H1 LEU 134 H -0.09 0.26 0.11 -0.55 8.37 8.10 1i48H1 LEU 134 HA -0.06 0.19 1.19 -0.75 4.35 4.92 1i48H1 LEU 134 HB2 -0.01 -0.03 0.05 -0.04 1.64 1.60 1i48H1 LEU 134 HB3 -0.02 0.06 -0.01 -0.04 1.64 1.64 1i48H1 LEU 134 HG -0.02 0.03 -0.24 -0.04 1.64 1.36 1i48H1 LEU 134 HD13 -0.01 0.01 -0.27 -0.04 0.93 0.62 1i48H1 LEU 134 HD23 -0.02 0.04 -0.09 -0.04 0.89 0.77 1i48H1 MET 135 H -0.06 0.33 0.01 -0.55 8.47 8.20 1i48H1 MET 135 HA -0.01 0.30 0.67 -0.75 4.52 4.71 1i48H1 MET 135 HB2 -0.05 -0.12 -0.08 -0.04 2.15 1.86 1i48H1 MET 135 HB3 -0.00 -0.21 0.13 -0.04 2.03 1.90 1i48H1 MET 135 HG2 -0.01 0.00 -0.30 -0.04 2.63 2.28 1i48H1 MET 135 HG3 -0.01 0.14 -0.15 -0.04 2.56 2.50 1i48H1 MET 135 HE3 -0.07 0.04 -0.17 -0.04 2.10 1.86 1i48H1 ALA 136 H 0.05 0.22 0.14 -0.55 8.40 8.27 1i48H1 ALA 136 HA 0.01 0.15 0.61 -0.75 4.34 4.35 1i48H1 ALA 136 HB3 0.02 0.10 0.05 -0.04 1.41 1.54 1i48H1 SER 137 H -0.02 0.11 -0.15 -0.55 8.46 7.86 1i48H1 SER 137 HA -0.05 -0.03 0.11 -0.75 4.49 3.76 1i48H1 SER 137 HB2 -0.05 0.02 0.06 -0.04 3.95 3.94 1i48H1 SER 137 HB3 -0.03 0.28 -0.51 -0.04 3.93 3.63 1i48H1 GLY 138 H -0.08 0.23 -0.08 -0.55 8.43 7.94 1i48H1 GLY 138 HA2 -0.07 0.05 0.38 -0.51 4.01 3.86 1i48H1 GLY 138 HA3 -0.11 0.07 0.32 -0.51 4.01 3.78 1i48H1 MET 139 H -0.08 0.10 -0.21 -0.55 8.47 7.74 1i48H1 MET 139 HA -0.08 0.03 0.27 -0.75 4.52 3.99 1i48H1 MET 139 HB2 -0.04 -0.05 -0.01 -0.04 2.15 2.00 1i48H1 MET 139 HB3 -0.06 0.15 -0.14 -0.04 2.03 1.94 1i48H1 MET 139 HG2 0.05 -0.03 -0.00 -0.04 2.63 2.61 1i48H1 MET 139 HG3 0.04 0.11 -0.05 -0.04 2.56 2.62 1i48H1 MET 139 HE3 -0.08 0.03 -0.10 -0.04 2.10 1.91 1i48H1 CYS 140 H -0.06 0.03 -0.40 -0.55 8.50 7.52 1i48H1 CYS 140 HA -0.08 0.10 0.29 -0.75 4.58 4.14 1i48H1 CYS 140 HB2 -0.02 -0.03 0.07 -0.04 2.97 2.95 1i48H1 CYS 140 HB3 -0.02 -0.12 0.15 -0.04 2.97 2.93 1i48H1 ALA 141 H -0.06 0.32 -0.11 -0.55 8.40 8.00 1i48H1 ALA 141 HA -0.07 0.02 0.19 -0.75 4.34 3.72 1i48H1 ALA 141 HB3 -0.06 -0.02 -0.05 -0.04 1.41 1.24 1i48H1 SER 142 H -0.10 0.40 -0.08 -0.55 8.46 8.13 1i48H1 SER 142 HA -0.17 0.01 0.24 -0.75 4.49 3.82 1i48H1 SER 142 HB2 -0.26 0.06 -0.11 -0.04 3.95 3.61 1i48H1 SER 142 HB3 -0.06 -0.06 -0.03 -0.04 3.93 3.74 1i48H1 THR 143 H -0.28 0.58 -0.13 -0.55 8.28 7.90 1i48H1 THR 143 HA -0.97 -0.05 0.28 -0.75 4.39 2.90 1i48H1 THR 143 HB -0.32 0.42 0.19 -0.04 4.32 4.57 1i48H1 THR 143 HG23 -0.20 -0.02 -0.13 -0.04 1.22 0.82 1i48H1 VAL 144 H -0.14 0.95 -0.03 -0.55 8.24 8.47 1i48H1 VAL 144 HA -0.02 0.01 0.29 -0.75 4.13 3.65 1i48H1 VAL 144 HB -0.04 -0.02 0.05 -0.04 2.12 2.07 1i48H1 VAL 144 HG13 0.03 -0.01 -0.27 -0.04 0.97 0.68 1i48H1 VAL 144 HG23 0.03 0.03 -0.09 -0.04 0.95 0.88 1i48H1 MET 145 H -0.08 0.66 -0.00 -0.55 8.47 8.50 1i48H1 MET 145 HA -0.04 -0.05 0.25 -0.75 4.52 3.92 1i48H1 MET 145 HB2 -0.07 -0.10 -0.03 -0.04 2.15 1.92 1i48H1 MET 145 HB3 -0.13 0.13 0.07 -0.04 2.03 2.06 1i48H1 MET 145 HG2 -0.04 0.02 -0.12 -0.04 2.63 2.45 1i48H1 MET 145 HG3 -0.03 -0.08 -0.13 -0.04 2.56 2.27 1i48H1 MET 145 HE3 -0.15 0.02 -0.36 -0.04 2.10 1.57 1i48H1 LEU 146 H -0.12 0.59 -0.42 -0.55 8.37 7.87 1i48H1 LEU 146 HA -0.05 -0.05 0.39 -0.75 4.35 3.88 1i48H1 LEU 146 HB2 0.10 0.22 0.16 -0.04 1.64 2.07 1i48H1 LEU 146 HB3 0.15 -0.00 -0.04 -0.04 1.64 1.71 1i48H1 LEU 146 HG -0.30 0.00 -0.08 -0.04 1.64 1.22 1i48H1 LEU 146 HD13 -0.00 -0.03 -0.13 -0.04 0.93 0.72 1i48H1 LEU 146 HD23 -0.16 -0.01 -0.09 -0.04 0.89 0.59 1i48H1 LEU 147 H 0.11 0.36 0.11 -0.55 8.37 8.39 1i48H1 LEU 147 HA 0.06 0.06 0.31 -0.75 4.35 4.03 1i48H1 LEU 147 HB2 0.07 0.01 -0.01 -0.04 1.64 1.67 1i48H1 LEU 147 HB3 0.07 -0.03 0.07 -0.04 1.64 1.71 1i48H1 LEU 147 HG 0.36 -0.03 0.12 -0.04 1.64 2.05 1i48H1 LEU 147 HD13 0.13 -0.03 -0.10 -0.04 0.93 0.89 1i48H1 LEU 147 HD23 0.18 -0.02 -0.03 -0.04 0.89 0.97 1i48H1 ALA 148 H 0.01 0.35 -0.83 -0.55 8.40 7.38 1i48H1 ALA 148 HA 0.02 0.03 0.47 -0.75 4.34 4.11 1i48H1 ALA 148 HB3 -0.00 -0.03 -0.11 -0.04 1.41 1.23 1i48H1 LEU 149 H -0.00 0.48 0.09 -0.55 8.37 8.39 1i48H1 LEU 149 HA 0.01 0.12 0.72 -0.75 4.35 4.44 1i48H1 LEU 149 HB2 0.00 -0.04 0.06 -0.04 1.64 1.63 1i48H1 LEU 149 HB3 0.01 -0.03 -0.02 -0.04 1.64 1.56 1i48H1 LEU 149 HG -0.01 0.05 -0.03 -0.04 1.64 1.62 1i48H1 LEU 149 HD13 -0.00 -0.05 -0.11 -0.04 0.93 0.73 1i48H1 LEU 149 HD23 0.01 -0.01 -0.13 -0.04 0.89 0.72 1i48H1 VAL 150 H 0.01 0.34 0.13 -0.55 8.24 8.17 1i48H1 VAL 150 HA 0.02 0.03 0.42 -0.75 4.13 3.85 1i48H1 VAL 150 HB 0.01 0.01 -0.01 -0.04 2.12 2.09 1i48H1 VAL 150 HG13 0.01 0.04 -0.24 -0.04 0.97 0.75 1i48H1 VAL 150 HG23 0.00 -0.04 -0.04 -0.04 0.95 0.83 1i48H1 PRO 151 HA 0.02 0.11 0.46 -0.51 4.44 4.52 1i48H1 PRO 151 HB2 0.02 0.10 0.03 -0.04 2.28 2.38 1i48H1 PRO 151 HB3 0.02 -0.01 0.13 -0.04 2.02 2.11 1i48H1 PRO 151 HG2 0.03 -0.00 0.09 -0.04 2.03 2.10 1i48H1 PRO 151 HG3 0.02 0.10 0.13 -0.04 2.03 2.24 1i48H1 PRO 151 HD2 0.03 -0.04 0.19 -0.04 3.68 3.82 1i48H1 PRO 151 HD3 0.03 0.20 0.33 -0.04 3.65 4.16 1i48H1 ALA 152 H 0.01 0.06 0.16 -0.55 8.40 8.08 1i48H1 ALA 152 HA 0.01 0.16 0.50 -0.75 4.34 4.25 1i48H1 ALA 152 HB3 0.01 -0.00 0.13 -0.04 1.41 1.50 1i48H1 GLY 153 H 0.01 0.49 0.11 -0.55 8.43 8.50 1i48H1 GLY 153 HA2 0.02 0.34 0.35 -0.51 4.01 4.21 1i48H1 GLY 153 HA3 0.02 -0.07 0.39 -0.51 4.01 3.83 1i48H1 GLY 154 H 0.03 0.26 -0.85 -0.55 8.43 7.32 1i48H1 GLY 154 HA2 0.06 0.06 0.40 -0.51 4.01 4.01 1i48H1 GLY 154 HA3 0.05 0.04 0.22 -0.51 4.01 3.81 1i48H1 HIS 155 H 0.13 0.19 0.27 -0.55 8.41 8.45 1i48H1 HIS 155 HA 0.03 0.55 1.04 -0.75 4.63 5.50 1i48H1 HIS 155 HB2 0.02 0.04 -0.10 -0.04 3.26 3.19 1i48H1 HIS 155 HB3 0.03 -0.01 -0.10 -0.04 3.20 3.08 1i48H1 HIS 155 HD2 0.04 -0.03 -0.31 -0.04 6.97 6.61 1i48H1 HIS 155 HE1 0.03 0.01 -0.47 -0.04 7.75 7.27 1i48H1 ILE 156 H -0.58 0.48 0.40 -0.55 8.25 7.99 1i48H1 ILE 156 HA -0.04 0.07 0.97 -0.75 4.18 4.43 1i48H1 ILE 156 HB -0.00 0.04 0.06 -0.04 1.89 1.94 1i48H1 ILE 156 HG12 -0.00 -0.02 -0.90 -0.04 1.49 0.53 1i48H1 ILE 156 HG13 0.05 0.00 -0.10 -0.04 1.21 1.12 1i48H1 ILE 156 HG23 -0.05 0.01 -0.29 -0.04 0.93 0.56 1i48H1 ILE 156 HD13 0.01 -0.02 -0.19 -0.04 0.88 0.64 1i48H1 VAL 157 H 0.10 0.51 0.37 -0.55 8.24 8.67 1i48H1 VAL 157 HA 0.04 0.22 1.14 -0.75 4.13 4.78 1i48H1 VAL 157 HB 0.35 -0.07 0.05 -0.04 2.12 2.42 1i48H1 VAL 157 HG13 0.16 0.00 -0.14 -0.04 0.97 0.95 1i48H1 VAL 157 HG23 0.06 0.01 -0.19 -0.04 0.95 0.79 1i48H1 THR 158 H 0.16 0.71 0.39 -0.55 8.28 8.99 1i48H1 THR 158 HA 0.04 0.22 0.80 -0.75 4.39 4.69 1i48H1 THR 158 HB 0.17 0.06 0.04 -0.04 4.32 4.55 1i48H1 THR 158 HG23 0.10 -0.03 -0.22 -0.04 1.22 1.03 1i48H1 THR 159 H 0.01 0.14 0.18 -0.55 8.28 8.06 1i48H1 THR 159 HA 0.14 0.32 0.52 -0.75 4.39 4.62 1i48H1 THR 159 HB 0.09 -0.15 0.11 -0.04 4.32 4.33 1i48H1 THR 159 HG23 0.14 0.02 -0.09 -0.04 1.22 1.24 1i48H1 THR 160 H 0.10 0.25 0.23 -0.55 8.28 8.31 1i48H1 THR 160 HA 0.10 0.12 0.37 -0.75 4.39 4.22 1i48H1 THR 160 HB 0.14 0.07 0.01 -0.04 4.32 4.51 1i48H1 THR 160 HG23 0.09 0.05 -0.23 -0.04 1.22 1.10 1i48H1 ASP 161 H 0.09 -0.02 0.01 -0.55 8.40 7.93 1i48H1 ASP 161 HA 0.06 0.12 0.52 -0.75 4.63 4.57 1i48H1 ASP 161 HB2 0.10 -0.09 0.17 -0.04 2.71 2.85 1i48H1 ASP 161 HB3 0.06 -0.09 0.06 -0.04 2.70 2.70 1i48H1 CYS 162 H 0.01 0.28 0.31 -0.55 8.50 8.55 1i48H1 CYS 162 HA 0.08 0.06 0.82 -0.75 4.58 4.78 1i48H1 CYS 162 HB2 0.04 0.27 -0.20 -0.04 2.97 3.05 1i48H1 CYS 162 HB3 0.06 -0.05 -0.22 -0.04 2.97 2.73 1i48H1 TYR 163 H 0.23 0.14 0.07 -0.55 8.29 8.18 1i48H1 TYR 163 HA 0.06 0.10 0.51 -0.75 4.56 4.47 1i48H1 TYR 163 HB2 0.07 0.05 0.10 -0.04 3.06 3.24 1i48H1 TYR 163 HB3 0.06 -0.10 0.15 -0.04 2.98 3.04 1i48H1 TYR 163 HD2 0.05 -0.06 -0.02 -0.04 7.15 7.09 1i48H1 TYR 163 HE2 0.04 0.04 -0.02 -0.04 6.85 6.87 1i48H1 ARG 164 H -0.26 0.21 0.17 -0.55 8.46 8.03 1i48H1 ARG 164 HA -0.19 0.14 0.30 -0.75 4.34 3.84 1i48H1 ARG 164 HB2 -0.43 0.05 0.16 -0.04 1.90 1.63 1i48H1 ARG 164 HB3 -0.46 -0.17 0.12 -0.04 1.80 1.25 1i48H1 ARG 164 HG2 -0.43 0.13 0.05 -0.04 1.67 1.37 1i48H1 ARG 164 HG3 -0.26 -0.03 -0.15 -0.04 1.67 1.19 1i48H1 ARG 164 HD2 -0.33 -0.05 0.07 -0.04 3.22 2.87 1i48H1 ARG 164 HD3 -1.19 0.12 0.06 -0.04 3.22 2.18 1i48H1 LYS 165 H -0.40 0.04 -0.17 -0.55 8.42 7.32 1i48H1 LYS 165 HA -0.04 0.10 0.37 -0.75 4.32 4.00 1i48H1 LYS 165 HB2 0.06 -0.09 0.08 -0.04 1.87 1.87 1i48H1 LYS 165 HB3 0.10 0.02 -0.05 -0.04 1.79 1.82 1i48H1 LYS 165 HG2 0.04 -0.01 -0.00 -0.04 1.46 1.44 1i48H1 LYS 165 HG3 0.00 0.06 0.00 -0.04 1.46 1.49 1i48H1 LYS 165 HD2 -0.16 -0.10 -0.02 -0.04 1.69 1.37 1i48H1 LYS 165 HD3 -0.13 -0.00 0.01 -0.04 1.68 1.52 1i48H1 LYS 165 HE2 -0.04 0.02 -0.02 -0.04 2.99 2.92 1i48H1 LYS 165 HE3 -0.04 0.02 -0.03 -0.04 2.99 2.90 1i48H1 THR 166 H 0.25 -0.00 -0.09 -0.55 8.28 7.89 1i48H1 THR 166 HA 0.10 -0.01 0.26 -0.75 4.39 3.99 1i48H1 THR 166 HB 0.23 0.04 0.06 -0.04 4.32 4.60 1i48H1 THR 166 HG23 0.24 0.02 -0.14 -0.04 1.22 1.30 1i48H1 ARG 167 H 0.06 0.46 -0.60 -0.55 8.46 7.83 1i48H1 ARG 167 HA 0.08 0.02 0.29 -0.75 4.34 3.98 1i48H1 ARG 167 HB2 -0.02 -0.02 -0.10 -0.04 1.90 1.72 1i48H1 ARG 167 HB3 -0.02 -0.01 0.10 -0.04 1.80 1.83 1i48H1 ARG 167 HG2 -0.02 0.00 -0.09 -0.04 1.67 1.52 1i48H1 ARG 167 HG3 0.02 0.00 -0.05 -0.04 1.67 1.60 1i48H1 ARG 167 HD2 -0.06 -0.11 -0.14 -0.04 3.22 2.86 1i48H1 ARG 167 HD3 -0.22 -0.03 -0.06 -0.04 3.22 2.87 1i48H1 ILE 168 H 0.02 0.41 0.08 -0.55 8.25 8.21 1i48H1 ILE 168 HA 0.02 0.02 0.30 -0.75 4.18 3.78 1i48H1 ILE 168 HB 0.05 0.03 0.13 -0.04 1.89 2.05 1i48H1 ILE 168 HG12 -0.01 0.00 0.01 -0.04 1.49 1.45 1i48H1 ILE 168 HG13 -0.02 0.09 0.12 -0.04 1.21 1.35 1i48H1 ILE 168 HG23 0.02 -0.01 -0.15 -0.04 0.93 0.76 1i48H1 ILE 168 HD13 -0.05 -0.04 -0.06 -0.04 0.88 0.69 1i48H1 PHE 169 H 0.19 0.43 -0.23 -0.55 8.34 8.18 1i48H1 PHE 169 HA -0.01 -0.02 0.35 -0.75 4.62 4.19 1i48H1 PHE 169 HB2 -0.01 -0.07 0.02 -0.04 3.15 3.06 1i48H1 PHE 169 HB3 -0.01 0.19 0.07 -0.04 3.06 3.26 1i48H1 PHE 169 HD2 -0.04 0.02 -0.08 -0.04 7.28 7.14 1i48H1 PHE 169 HE2 -0.05 0.03 -0.04 -0.04 7.38 7.28 1i48H1 PHE 169 HZ -0.03 0.08 -0.01 -0.04 7.32 7.32 1i48H1 ILE 170 H 0.14 0.51 -0.17 -0.55 8.25 8.19 1i48H1 ILE 170 HA -0.14 -0.02 0.48 -0.75 4.18 3.73 1i48H1 ILE 170 HB 0.06 0.13 0.09 -0.04 1.89 2.13 1i48H1 ILE 170 HG12 0.11 -0.05 -0.04 -0.04 1.49 1.46 1i48H1 ILE 170 HG13 0.20 0.15 0.11 -0.04 1.21 1.63 1i48H1 ILE 170 HG23 0.01 -0.01 -0.13 -0.04 0.93 0.77 1i48H1 ILE 170 HD13 0.12 -0.05 -0.12 -0.04 0.88 0.80 1i48H1 GLU 171 H 0.01 0.43 -0.08 -0.55 8.60 8.42 1i48H1 GLU 171 HA -0.01 0.13 0.58 -0.75 4.29 4.24 1i48H1 GLU 171 HB2 0.02 -0.03 -0.03 -0.04 2.09 2.01 1i48H1 GLU 171 HB3 0.02 -0.04 0.05 -0.04 1.99 1.98 1i48H1 GLU 171 HG2 0.04 0.03 -0.02 -0.04 2.34 2.34 1i48H1 GLU 171 HG3 0.04 0.00 -0.12 -0.04 2.34 2.23 1i48H1 THR 172 H -0.08 0.19 -0.27 -0.55 8.28 7.57 1i48H1 THR 172 HA -0.04 0.21 0.97 -0.75 4.39 4.78 1i48H1 THR 172 HB -0.02 -0.05 0.01 -0.04 4.32 4.23 1i48H1 THR 172 HG23 -0.00 -0.00 -0.23 -0.04 1.22 0.95 1i48H1 ILE 173 H -0.25 0.47 0.22 -0.55 8.25 8.14 1i48H1 ILE 173 HA -0.14 0.16 0.87 -0.75 4.18 4.32 1i48H1 ILE 173 HB -1.07 0.06 0.22 -0.04 1.89 1.06 1i48H1 ILE 173 HG12 -0.12 -0.02 0.11 -0.04 1.49 1.43 1i48H1 ILE 173 HG13 0.12 -0.06 0.01 -0.04 1.21 1.24 1i48H1 ILE 173 HG23 -0.11 -0.01 -0.07 -0.04 0.93 0.70 1i48H1 ILE 173 HD13 -0.01 0.01 -0.23 -0.04 0.88 0.60 1i48H1 LEU 174 H -0.55 0.38 0.21 -0.55 8.37 7.86 1i48H1 LEU 174 HA -0.22 -0.01 0.34 -0.75 4.35 3.72 1i48H1 LEU 174 HB2 -0.17 0.25 0.14 -0.04 1.64 1.82 1i48H1 LEU 174 HB3 -0.11 0.03 -0.03 -0.04 1.64 1.49 1i48H1 LEU 174 HG -0.71 -0.00 -0.00 -0.04 1.64 0.88 1i48H1 LEU 174 HD13 -0.03 -0.01 -0.06 -0.04 0.93 0.79 1i48H1 LEU 174 HD23 -0.08 -0.01 -0.07 -0.04 0.89 0.68 1i48H1 PRO 175 HA -0.03 0.11 0.24 -0.51 4.44 4.26 1i48H1 PRO 175 HB2 -0.03 -0.00 -0.16 -0.04 2.28 2.05 1i48H1 PRO 175 HB3 -0.02 0.03 -0.04 -0.04 2.02 1.95 1i48H1 PRO 175 HG2 -0.07 0.19 -0.48 -0.04 2.03 1.64 1i48H1 PRO 175 HG3 -0.05 0.15 -0.44 -0.04 2.03 1.65 1i48H1 PRO 175 HD2 -0.17 -0.22 -0.66 -0.04 3.68 2.58 1i48H1 PRO 175 HD3 -0.09 0.46 -0.09 -0.04 3.65 3.88 1i48H1 LYS 176 H -0.08 0.57 -0.45 -0.55 8.42 7.91 1i48H1 LYS 176 HA -0.03 0.00 0.41 -0.75 4.32 3.95 1i48H1 LYS 176 HB2 -0.06 0.30 0.19 -0.04 1.87 2.26 1i48H1 LYS 176 HB3 -0.03 -0.08 0.00 -0.04 1.79 1.64 1i48H1 LYS 176 HG2 -0.03 -0.07 0.07 -0.04 1.46 1.40 1i48H1 LYS 176 HG3 -0.05 0.15 0.13 -0.04 1.46 1.65 1i48H1 LYS 176 HD2 -0.04 -0.01 0.07 -0.04 1.69 1.67 1i48H1 LYS 176 HD3 -0.02 -0.05 0.03 -0.04 1.68 1.60 1i48H1 LYS 176 HE2 -0.02 -0.04 0.03 -0.04 2.99 2.93 1i48H1 LYS 176 HE3 -0.03 0.10 0.06 -0.04 2.99 3.08 1i48H1 MET 177 H -0.06 0.35 -0.13 -0.55 8.47 8.09 1i48H1 MET 177 HA -0.01 0.08 0.56 -0.75 4.52 4.39 1i48H1 MET 177 HB2 -0.02 0.02 0.06 -0.04 2.15 2.17 1i48H1 MET 177 HB3 -0.01 -0.03 0.14 -0.04 2.03 2.09 1i48H1 MET 177 HG2 -0.04 -0.07 0.00 -0.04 2.63 2.48 1i48H1 MET 177 HG3 -0.06 -0.00 0.04 -0.04 2.56 2.49 1i48H1 MET 177 HE3 0.01 0.02 -0.02 -0.04 2.10 2.08 1i48H1 GLY 178 H -0.02 0.47 -0.98 -0.55 8.43 7.35 1i48H1 GLY 178 HA2 -0.00 0.10 0.28 -0.51 4.01 3.87 1i48H1 GLY 178 HA3 0.00 -0.03 0.41 -0.51 4.01 3.88 1i48H1 ILE 179 H -0.02 0.36 -0.39 -0.55 8.25 7.65 1i48H1 ILE 179 HA 0.03 0.29 0.50 -0.75 4.18 4.25 1i48H1 ILE 179 HB -0.04 -0.08 -0.06 -0.04 1.89 1.67 1i48H1 ILE 179 HG12 0.01 0.09 -0.16 -0.04 1.49 1.40 1i48H1 ILE 179 HG13 -0.00 -0.09 -0.16 -0.04 1.21 0.91 1i48H1 ILE 179 HG23 -0.01 -0.02 -0.39 -0.04 0.93 0.47 1i48H1 ILE 179 HD13 -0.01 -0.00 -0.18 -0.04 0.88 0.64 1i48H1 THR 180 H 0.11 0.54 0.22 -0.55 8.28 8.60 1i48H1 THR 180 HA 0.07 0.09 0.70 -0.75 4.39 4.50 1i48H1 THR 180 HB 0.09 0.00 0.01 -0.04 4.32 4.38 1i48H1 THR 180 HG23 0.25 0.02 0.03 -0.04 1.22 1.48 1i48H1 ALA 181 H 0.09 0.22 0.19 -0.55 8.40 8.35 1i48H1 ALA 181 HA -0.48 0.14 0.98 -0.75 4.34 4.22 1i48H1 ALA 181 HB3 -0.03 -0.00 -0.11 -0.04 1.41 1.22 1i48H1 THR 182 H -0.14 0.59 0.39 -0.55 8.28 8.57 1i48H1 THR 182 HA 0.11 0.17 0.99 -0.75 4.39 4.90 1i48H1 THR 182 HB 0.12 -0.04 0.05 -0.04 4.32 4.41 1i48H1 THR 182 HG23 0.10 -0.01 -0.18 -0.04 1.22 1.08 1i48H1 VAL 183 H 0.08 0.18 0.13 -0.55 8.24 8.08 1i48H1 VAL 183 HA 0.10 0.46 0.91 -0.75 4.13 4.85 1i48H1 VAL 183 HB 0.09 -0.05 0.09 -0.04 2.12 2.21 1i48H1 VAL 183 HG13 0.10 0.02 -0.26 -0.04 0.97 0.80 1i48H1 VAL 183 HG23 0.08 0.01 -0.12 -0.04 0.95 0.89 1i48H1 ILE 184 H 0.12 0.58 0.25 -0.55 8.25 8.65 1i48H1 ILE 184 HA 0.07 0.19 0.91 -0.75 4.18 4.59 1i48H1 ILE 184 HB 0.04 -0.09 0.05 -0.04 1.89 1.85 1i48H1 ILE 184 HG12 0.15 0.05 -0.27 -0.04 1.49 1.38 1i48H1 ILE 184 HG13 0.11 0.00 -0.65 -0.04 1.21 0.63 1i48H1 ILE 184 HG23 0.06 0.04 -0.39 -0.04 0.93 0.60 1i48H1 ILE 184 HD13 -0.05 0.03 -0.20 -0.04 0.88 0.62 1i48H1 ASP 185 H 0.05 0.13 0.16 -0.55 8.40 8.19 1i48H1 ASP 185 HA 0.08 0.09 0.61 -0.75 4.63 4.65 1i48H1 ASP 185 HB2 0.05 0.12 0.16 -0.04 2.71 3.00 1i48H1 ASP 185 HB3 0.04 -0.15 0.17 -0.04 2.70 2.73 1i48H1 PRO 186 HA 0.12 0.12 0.27 -0.51 4.44 4.43 1i48H1 PRO 186 HB2 0.08 0.03 -0.09 -0.04 2.28 2.27 1i48H1 PRO 186 HB3 0.08 0.08 -0.10 -0.04 2.02 2.04 1i48H1 PRO 186 HG2 0.10 0.03 0.07 -0.04 2.03 2.18 1i48H1 PRO 186 HG3 0.09 0.05 0.11 -0.04 2.03 2.24 1i48H1 PRO 186 HD2 0.07 0.11 0.23 -0.04 3.68 4.05 1i48H1 PRO 186 HD3 0.09 0.06 0.35 -0.04 3.65 4.10 1i48H1 ALA 187 H 0.06 0.00 -0.28 -0.55 8.40 7.63 1i48H1 ALA 187 HA 0.05 0.17 0.63 -0.75 4.34 4.44 1i48H1 ALA 187 HB3 0.06 0.00 0.04 -0.04 1.41 1.47 1i48H1 ASP 188 H 0.04 -0.02 -0.15 -0.55 8.40 7.72 1i48H1 ASP 188 HA 0.02 0.02 0.36 -0.75 4.63 4.27 1i48H1 ASP 188 HB2 0.03 0.01 0.18 -0.04 2.71 2.88 1i48H1 ASP 188 HB3 0.03 0.06 0.23 -0.04 2.70 2.97 1i48H1 VAL 189 H 0.01 0.33 0.45 -0.55 8.24 8.48 1i48H1 VAL 189 HA -0.05 0.10 0.35 -0.75 4.13 3.78 1i48H1 VAL 189 HB -0.00 -0.04 0.12 -0.04 2.12 2.16 1i48H1 VAL 189 HG13 -0.03 0.00 -0.07 -0.04 0.97 0.84 1i48H1 VAL 189 HG23 0.00 0.09 0.12 -0.04 0.95 1.12 1i48H1 GLY 190 H -0.00 0.05 -0.15 -0.55 8.43 7.78 1i48H1 GLY 190 HA2 -0.01 0.13 0.36 -0.51 4.01 3.98 1i48H1 GLY 190 HA3 -0.00 0.06 0.27 -0.51 4.01 3.82 1i48H1 ALA 191 H -0.00 0.07 -0.18 -0.55 8.40 7.74 1i48H1 ALA 191 HA 0.00 0.05 0.31 -0.75 4.34 3.95 1i48H1 ALA 191 HB3 0.01 0.05 0.06 -0.04 1.41 1.49 1i48H1 LEU 192 H -0.05 0.28 -0.38 -0.55 8.37 7.67 1i48H1 LEU 192 HA -0.10 0.01 0.27 -0.75 4.35 3.77 1i48H1 LEU 192 HB2 -0.24 -0.02 -0.04 -0.04 1.64 1.30 1i48H1 LEU 192 HB3 -0.14 0.13 0.09 -0.04 1.64 1.67 1i48H1 LEU 192 HG -0.20 0.07 -0.42 -0.04 1.64 1.05 1i48H1 LEU 192 HD13 -0.66 -0.01 -0.14 -0.04 0.93 0.08 1i48H1 LEU 192 HD23 -0.32 0.00 -0.09 -0.04 0.89 0.44 1i48H1 GLU 193 H -0.06 0.59 -0.04 -0.55 8.60 8.55 1i48H1 GLU 193 HA -0.04 0.05 0.33 -0.75 4.29 3.87 1i48H1 GLU 193 HB2 -0.03 -0.05 0.09 -0.04 2.09 2.06 1i48H1 GLU 193 HB3 -0.02 0.04 0.17 -0.04 1.99 2.14 1i48H1 GLU 193 HG2 -0.01 -0.01 -0.19 -0.04 2.34 2.08 1i48H1 GLU 193 HG3 -0.02 0.04 0.01 -0.04 2.34 2.34 1i48H1 LEU 194 H -0.02 0.79 -0.20 -0.55 8.37 8.40 1i48H1 LEU 194 HA -0.00 0.02 0.40 -0.75 4.35 4.01 1i48H1 LEU 194 HB2 -0.00 -0.08 -0.01 -0.04 1.64 1.52 1i48H1 LEU 194 HB3 0.00 0.06 0.20 -0.04 1.64 1.86 1i48H1 LEU 194 HG 0.01 0.03 -0.21 -0.04 1.64 1.43 1i48H1 LEU 194 HD13 0.00 -0.01 -0.04 -0.04 0.93 0.84 1i48H1 LEU 194 HD23 0.01 -0.03 -0.03 -0.04 0.89 0.80 1i48H1 ALA 195 H 0.01 0.81 0.14 -0.55 8.40 8.81 1i48H1 ALA 195 HA 0.03 -0.08 0.38 -0.75 4.34 3.91 1i48H1 ALA 195 HB3 0.06 -0.01 0.01 -0.04 1.41 1.43 1i48H1 LEU 196 H -0.01 0.65 -0.41 -0.55 8.37 8.05 1i48H1 LEU 196 HA 0.02 -0.10 0.28 -0.75 4.35 3.79 1i48H1 LEU 196 HB2 -0.03 0.15 0.15 -0.04 1.64 1.86 1i48H1 LEU 196 HB3 -0.01 0.05 -0.06 -0.04 1.64 1.58 1i48H1 LEU 196 HG -0.02 0.12 -0.05 -0.04 1.64 1.65 1i48H1 LEU 196 HD13 -0.00 -0.03 0.01 -0.04 0.93 0.87 1i48H1 LEU 196 HD23 -0.10 -0.07 -0.30 -0.04 0.89 0.38 1i48H1 ASN 197 H 0.00 0.46 -0.49 -0.55 8.53 7.95 1i48H1 ASN 197 HA 0.01 0.14 0.81 -0.75 4.76 4.96 1i48H1 ASN 197 HB2 0.00 0.09 0.21 -0.04 2.88 3.14 1i48H1 ASN 197 HB3 0.00 -0.10 -0.01 -0.04 2.79 2.64 1i48H1 ASN 197 HD21 -0.00 -0.13 -0.03 -0.04 7.03 6.83 1i48H1 ASN 197 HD22 -0.00 0.57 0.14 -0.04 7.74 8.40 1i48H1 GLN 198 H 0.00 0.35 0.14 -0.55 8.47 8.42 1i48H1 GLN 198 HA -0.01 -0.06 0.36 -0.75 4.36 3.90 1i48H1 GLN 198 HB2 0.00 -0.05 0.19 -0.04 2.15 2.25 1i48H1 GLN 198 HB3 -0.02 -0.05 0.00 -0.04 2.02 1.92 1i48H1 GLN 198 HG2 -0.00 -0.03 0.01 -0.04 2.40 2.34 1i48H1 GLN 198 HG3 0.00 0.14 -0.10 -0.04 2.39 2.39 1i48H1 GLN 198 HE21 0.01 -0.05 -0.03 -0.04 6.97 6.86 1i48H1 GLN 198 HE22 0.00 0.01 -0.03 -0.04 7.69 7.63 1i48H1 LYS 199 H -0.00 0.21 -0.03 -0.55 8.42 8.04 1i48H1 LYS 199 HA -0.04 0.16 0.76 -0.75 4.32 4.45 1i48H1 LYS 199 HB2 -0.12 -0.04 -0.05 -0.04 1.87 1.62 1i48H1 LYS 199 HB3 -0.15 -0.02 -0.07 -0.04 1.79 1.51 1i48H1 LYS 199 HG2 -0.35 0.02 -0.06 -0.04 1.46 1.03 1i48H1 LYS 199 HG3 -0.12 0.07 -0.06 -0.04 1.46 1.30 1i48H1 LYS 199 HD2 -0.10 -0.01 -0.14 -0.04 1.69 1.40 1i48H1 LYS 199 HD3 -0.13 -0.04 -0.08 -0.04 1.68 1.39 1i48H1 LYS 199 HE2 -0.60 0.03 -0.11 -0.04 2.99 2.27 1i48H1 LYS 199 HE3 -0.16 0.01 -0.07 -0.04 2.99 2.73 1i48H1 LYS 200 H -0.01 0.11 0.02 -0.55 8.42 7.99 1i48H1 LYS 200 HA 0.04 0.29 0.79 -0.75 4.32 4.68 1i48H1 LYS 200 HB2 0.02 -0.01 0.05 -0.04 1.87 1.89 1i48H1 LYS 200 HB3 0.03 -0.06 0.20 -0.04 1.79 1.92 1i48H1 LYS 200 HG2 0.03 0.16 -0.03 -0.04 1.46 1.58 1i48H1 LYS 200 HG3 0.02 -0.04 0.01 -0.04 1.46 1.42 1i48H1 LYS 200 HD2 0.03 -0.06 -0.00 -0.04 1.69 1.62 1i48H1 LYS 200 HD3 0.04 -0.06 -0.09 -0.04 1.68 1.53 1i48H1 LYS 200 HE2 0.04 0.04 -0.11 -0.04 2.99 2.92 1i48H1 LYS 200 HE3 0.03 0.07 -0.05 -0.04 2.99 3.01 1i48H1 VAL 201 H 0.08 0.35 -0.07 -0.55 8.24 8.05 1i48H1 VAL 201 HA 0.16 -0.01 0.32 -0.75 4.13 3.85 1i48H1 VAL 201 HB 0.07 0.07 -0.03 -0.04 2.12 2.19 1i48H1 VAL 201 HG13 0.08 -0.06 -0.29 -0.04 0.97 0.67 1i48H1 VAL 201 HG23 0.15 0.03 -0.26 -0.04 0.95 0.83 1i48H1 ASN 202 H 0.08 0.63 0.37 -0.55 8.53 9.06 1i48H1 ASN 202 HA 0.05 0.19 0.68 -0.75 4.76 4.93 1i48H1 ASN 202 HB2 0.04 0.11 0.25 -0.04 2.88 3.24 1i48H1 ASN 202 HB3 0.04 -0.01 0.07 -0.04 2.79 2.85 1i48H1 ASN 202 HD21 0.04 -0.01 0.03 -0.04 7.03 7.05 1i48H1 ASN 202 HD22 0.04 0.02 0.07 -0.04 7.74 7.83 1i48H1 LEU 203 H 0.06 0.21 0.24 -0.55 8.37 8.33 1i48H1 LEU 203 HA 0.08 -0.07 0.66 -0.75 4.35 4.27 1i48H1 LEU 203 HB2 0.05 0.05 0.07 -0.04 1.64 1.77 1i48H1 LEU 203 HB3 0.04 -0.01 -0.30 -0.04 1.64 1.33 1i48H1 LEU 203 HG 0.09 0.09 -0.58 -0.04 1.64 1.20 1i48H1 LEU 203 HD13 0.04 -0.03 -0.22 -0.04 0.93 0.69 1i48H1 LEU 203 HD23 0.03 -0.03 -0.17 -0.04 0.89 0.67 1i48H1 PHE 204 H 0.19 1.09 0.40 -0.55 8.34 9.46 1i48H1 PHE 204 HA 0.04 0.17 0.96 -0.75 4.62 5.03 1i48H1 PHE 204 HB2 -0.00 -0.00 -0.02 -0.04 3.15 3.08 1i48H1 PHE 204 HB3 -0.02 0.02 0.13 -0.04 3.06 3.15 1i48H1 PHE 204 HD2 -0.01 0.01 -0.23 -0.04 7.28 7.01 1i48H1 PHE 204 HE2 -0.01 -0.07 -0.30 -0.04 7.38 6.95 1i48H1 PHE 204 HZ -0.02 -0.05 -0.23 -0.04 7.32 6.98 1i48H1 PHE 205 H -0.06 0.89 0.42 -0.55 8.34 9.03 1i48H1 PHE 205 HA -0.34 0.29 1.15 -0.75 4.62 4.97 1i48H1 PHE 205 HB2 -0.10 0.01 -0.13 -0.04 3.15 2.89 1i48H1 PHE 205 HB3 -0.10 0.05 0.04 -0.04 3.06 3.01 1i48H1 PHE 205 HD2 -0.08 0.05 -0.13 -0.04 7.28 7.08 1i48H1 PHE 205 HE2 -0.05 -0.06 -0.17 -0.04 7.38 7.06 1i48H1 PHE 205 HZ -0.05 -0.13 -0.12 -0.04 7.32 6.98 1i48H1 THR 206 H -0.83 0.65 0.39 -0.55 8.28 7.93 1i48H1 THR 206 HA -0.68 0.07 0.55 -0.75 4.39 3.57 1i48H1 THR 206 HB -0.49 0.05 -0.07 -0.04 4.32 3.77 1i48H1 THR 206 HG23 -0.47 -0.01 -0.28 -0.04 1.22 0.42 1i48H1 GLU 207 H -0.25 0.24 0.21 -0.55 8.60 8.25 1i48H1 GLU 207 HA -0.19 -0.14 1.03 -0.75 4.29 4.24 1i48H1 GLU 207 HB2 0.00 0.26 0.24 -0.04 2.09 2.55 1i48H1 GLU 207 HB3 -0.14 -0.11 0.13 -0.04 1.99 1.82 1i48H1 GLU 207 HG2 0.01 0.01 0.11 -0.04 2.34 2.42 1i48H1 GLU 207 HG3 0.14 0.01 0.03 -0.04 2.34 2.49 1i48H1 SER 208 H -0.03 0.22 -0.01 -0.55 8.46 8.09 1i48H1 SER 208 HA 0.02 0.07 0.40 -0.75 4.49 4.22 1i48H1 SER 208 HB2 -0.00 -0.04 -0.01 -0.04 3.95 3.86 1i48H1 SER 208 HB3 -0.03 -0.02 -0.11 -0.04 3.93 3.74 1i48H1 PRO 209 HA 0.01 0.20 0.13 -0.51 4.44 4.27 1i48H1 PRO 209 HB2 -0.13 -0.01 -0.12 -0.04 2.28 1.99 1i48H1 PRO 209 HB3 -0.06 0.20 0.02 -0.04 2.02 2.14 1i48H1 PRO 209 HG2 0.03 0.08 -0.11 -0.04 2.03 1.99 1i48H1 PRO 209 HG3 -0.03 0.10 -0.00 -0.04 2.03 2.06 1i48H1 PRO 209 HD2 0.15 -0.14 0.00 -0.04 3.68 3.65 1i48H1 PRO 209 HD3 0.03 0.19 0.33 -0.04 3.65 4.16 1i48H1 THR 210 H 0.02 0.24 -0.21 -0.55 8.28 7.78 1i48H1 THR 210 HA 0.06 0.18 0.58 -0.75 4.39 4.46 1i48H1 THR 210 HB 0.06 0.28 0.11 -0.04 4.32 4.73 1i48H1 THR 210 HG23 0.08 -0.20 -0.27 -0.04 1.22 0.78 1i48H1 ASN 211 H 0.06 0.33 0.02 -0.55 8.53 8.39 1i48H1 ASN 211 HA -0.17 0.12 0.85 -0.75 4.76 4.81 1i48H1 ASN 211 HB2 0.56 0.02 -0.19 -0.04 2.88 3.23 1i48H1 ASN 211 HB3 0.21 -0.00 -0.11 -0.04 2.79 2.85 1i48H1 ASN 211 HD21 0.27 0.04 -0.08 -0.04 7.03 7.22 1i48H1 ASN 211 HD22 0.65 -0.02 -0.10 -0.04 7.74 8.23 1i48H1 PRO 212 HA -0.25 0.08 0.31 -0.51 4.44 4.07 1i48H1 PRO 212 HB2 -0.39 0.07 0.04 -0.04 2.28 1.96 1i48H1 PRO 212 HB3 -0.20 0.02 0.01 -0.04 2.02 1.81 1i48H1 PRO 212 HG2 -1.01 0.07 -0.09 -0.04 2.03 0.95 1i48H1 PRO 212 HG3 -0.40 0.03 -0.05 -0.04 2.03 1.58 1i48H1 PRO 212 HD2 -1.41 0.08 0.13 -0.04 3.68 2.44 1i48H1 PRO 212 HD3 -0.40 0.23 0.37 -0.04 3.65 3.81 1i48H1 PHE 213 H -0.29 0.12 -0.36 -0.55 8.34 7.25 1i48H1 PHE 213 HA -0.31 0.26 0.67 -0.75 4.62 4.49 1i48H1 PHE 213 HB2 -0.08 -0.08 -0.04 -0.04 3.15 2.90 1i48H1 PHE 213 HB3 -0.11 0.05 0.10 -0.04 3.06 3.05 1i48H1 PHE 213 HD2 -0.81 0.00 -0.09 -0.04 7.28 6.34 1i48H1 PHE 213 HE2 -0.31 0.13 -0.02 -0.04 7.38 7.14 1i48H1 PHE 213 HZ -0.16 0.11 -0.18 -0.04 7.32 7.05 1i48H1 LEU 214 H -0.15 0.15 -0.53 -0.55 8.37 7.30 1i48H1 LEU 214 HA -0.14 0.31 0.27 -0.75 4.35 4.04 1i48H1 LEU 214 HB2 0.17 0.04 -0.26 -0.04 1.64 1.55 1i48H1 LEU 214 HB3 -0.06 -0.01 0.13 -0.04 1.64 1.65 1i48H1 LEU 214 HG -0.49 0.02 -0.08 -0.04 1.64 1.05 1i48H1 LEU 214 HD13 0.00 -0.04 -0.34 -0.04 0.93 0.51 1i48H1 LEU 214 HD23 -0.03 0.00 -0.02 -0.04 0.89 0.80 1i48H1 ARG 215 H 0.14 -0.08 -0.64 -0.55 8.46 7.33 1i48H1 ARG 215 HA 0.35 0.08 0.43 -0.75 4.34 4.45 1i48H1 ARG 215 HB2 0.12 -0.06 0.02 -0.04 1.90 1.93 1i48H1 ARG 215 HB3 0.13 0.03 0.01 -0.04 1.80 1.93 1i48H1 ARG 215 HG2 0.21 0.02 -0.12 -0.04 1.67 1.74 1i48H1 ARG 215 HG3 0.15 -0.03 -0.01 -0.04 1.67 1.74 1i48H1 ARG 215 HD2 0.10 -0.03 0.05 -0.04 3.22 3.30 1i48H1 ARG 215 HD3 0.01 0.10 0.02 -0.04 3.22 3.32 1i48H1 CYS 216 H 0.15 0.11 0.20 -0.55 8.50 8.40 1i48H1 CYS 216 HA 0.02 0.12 0.94 -0.75 4.58 4.92 1i48H1 CYS 216 HB2 -0.03 -0.02 -0.02 -0.04 2.97 2.86 1i48H1 CYS 216 HB3 -0.03 0.05 -0.06 -0.04 2.97 2.89 1i48H1 VAL 217 H 0.01 0.18 0.06 -0.55 8.24 7.95 1i48H1 VAL 217 HA 0.04 0.24 0.86 -0.75 4.13 4.52 1i48H1 VAL 217 HB 0.05 -0.04 -0.06 -0.04 2.12 2.02 1i48H1 VAL 217 HG13 0.14 0.00 -0.39 -0.04 0.97 0.68 1i48H1 VAL 217 HG23 0.10 0.07 -0.20 -0.04 0.95 0.89 1i48H1 ASP 218 H 0.01 0.24 0.05 -0.55 8.40 8.15 1i48H1 ASP 218 HA -0.02 0.12 0.40 -0.75 4.63 4.37 1i48H1 ASP 218 HB2 -0.02 0.05 0.12 -0.04 2.71 2.82 1i48H1 ASP 218 HB3 0.01 0.00 0.21 -0.04 2.70 2.88 1i48H1 ILE 219 H 0.01 0.50 0.28 -0.55 8.25 8.49 1i48H1 ILE 219 HA 0.05 -0.00 0.17 -0.75 4.18 3.65 1i48H1 ILE 219 HB 0.01 -0.05 0.15 -0.04 1.89 1.95 1i48H1 ILE 219 HG12 0.00 -0.04 -0.01 -0.04 1.49 1.40 1i48H1 ILE 219 HG13 0.02 0.03 0.03 -0.04 1.21 1.24 1i48H1 ILE 219 HG23 0.03 0.07 -0.24 -0.04 0.93 0.74 1i48H1 ILE 219 HD13 -0.01 0.00 0.04 -0.04 0.88 0.87 1i48H1 GLU 220 H 0.01 0.09 -0.05 -0.55 8.60 8.11 1i48H1 GLU 220 HA 0.04 0.48 0.43 -0.75 4.29 4.48 1i48H1 GLU 220 HB2 0.01 0.08 0.16 -0.04 2.09 2.30 1i48H1 GLU 220 HB3 0.01 -0.16 0.05 -0.04 1.99 1.84 1i48H1 GLU 220 HG2 0.02 -0.07 -0.18 -0.04 2.34 2.06 1i48H1 GLU 220 HG3 0.02 0.05 -0.09 -0.04 2.34 2.28 1i48H1 LEU 221 H 0.01 0.02 -0.35 -0.55 8.37 7.50 1i48H1 LEU 221 HA 0.01 0.05 0.42 -0.75 4.35 4.08 1i48H1 LEU 221 HB2 0.01 -0.03 0.10 -0.04 1.64 1.68 1i48H1 LEU 221 HB3 0.01 0.09 0.18 -0.04 1.64 1.88 1i48H1 LEU 221 HG -0.01 0.02 -0.29 -0.04 1.64 1.31 1i48H1 LEU 221 HD13 0.01 0.00 0.01 -0.04 0.93 0.91 1i48H1 LEU 221 HD23 0.01 -0.02 0.02 -0.04 0.89 0.86 1i48H1 VAL 222 H 0.01 0.55 0.05 -0.55 8.24 8.30 1i48H1 VAL 222 HA -0.07 -0.04 0.30 -0.75 4.13 3.57 1i48H1 VAL 222 HB 0.08 0.03 -0.04 -0.04 2.12 2.15 1i48H1 VAL 222 HG13 -0.07 -0.02 -0.21 -0.04 0.97 0.63 1i48H1 VAL 222 HG23 0.02 0.04 -0.12 -0.04 0.95 0.85 1i48H1 SER 223 H 0.03 0.90 -0.20 -0.55 8.46 8.64 1i48H1 SER 223 HA -0.13 -0.09 0.23 -0.75 4.49 3.75 1i48H1 SER 223 HB2 0.11 0.18 -0.05 -0.04 3.95 4.15 1i48H1 SER 223 HB3 0.14 0.08 -0.21 -0.04 3.93 3.90 1i48H1 LYS 224 H 0.04 0.49 -0.30 -0.55 8.42 8.09 1i48H1 LYS 224 HA 0.12 0.02 0.41 -0.75 4.32 4.12 1i48H1 LYS 224 HB2 0.04 0.17 0.25 -0.04 1.87 2.29 1i48H1 LYS 224 HB3 0.02 -0.06 0.13 -0.04 1.79 1.84 1i48H1 LYS 224 HG2 0.03 -0.04 -0.04 -0.04 1.46 1.38 1i48H1 LYS 224 HG3 0.06 -0.00 0.04 -0.04 1.46 1.52 1i48H1 LYS 224 HD2 0.02 -0.05 0.01 -0.04 1.69 1.63 1i48H1 LYS 224 HD3 0.02 -0.04 -0.01 -0.04 1.68 1.61 1i48H1 LYS 224 HE2 0.04 0.01 0.00 -0.04 2.99 3.00 1i48H1 LYS 224 HE3 0.04 0.14 -0.01 -0.04 2.99 3.12 1i48H1 LEU 225 H -0.01 0.43 0.04 -0.55 8.37 8.29 1i48H1 LEU 225 HA -0.01 0.01 0.34 -0.75 4.35 3.94 1i48H1 LEU 225 HB2 -0.08 0.05 0.07 -0.04 1.64 1.65 1i48H1 LEU 225 HB3 -0.05 -0.02 -0.03 -0.04 1.64 1.49 1i48H1 LEU 225 HG -0.03 0.11 -0.04 -0.04 1.64 1.64 1i48H1 LEU 225 HD13 -0.05 -0.04 -0.04 -0.04 0.93 0.76 1i48H1 LEU 225 HD23 -0.01 -0.01 -0.02 -0.04 0.89 0.81 1i48H1 CYS 226 H -0.08 0.60 -0.30 -0.55 8.50 8.18 1i48H1 CYS 226 HA -0.04 0.05 0.42 -0.75 4.58 4.25 1i48H1 CYS 226 HB2 -0.19 0.09 -0.04 -0.04 2.97 2.79 1i48H1 CYS 226 HB3 -0.08 -0.03 -0.31 -0.04 2.97 2.51 1i48H1 HIS 227 H -0.15 0.67 0.04 -0.55 8.41 8.42 1i48H1 HIS 227 HA 0.03 0.11 0.34 -0.75 4.63 4.35 1i48H1 HIS 227 HB2 0.02 0.10 0.16 -0.04 3.26 3.50 1i48H1 HIS 227 HB3 0.02 -0.08 0.07 -0.04 3.20 3.16 1i48H1 HIS 227 HD2 0.03 0.09 0.06 -0.04 6.97 7.10 1i48H1 HIS 227 HE1 0.03 0.41 0.05 -0.04 7.75 8.19 1i48H1 GLU 228 H 0.06 0.33 -0.74 -0.55 8.60 7.71 1i48H1 GLU 228 HA 0.05 -0.01 0.48 -0.75 4.29 4.06 1i48H1 GLU 228 HB2 0.03 0.16 0.09 -0.04 2.09 2.33 1i48H1 GLU 228 HB3 0.02 0.08 0.01 -0.04 1.99 2.06 1i48H1 GLU 228 HG2 0.02 -0.02 0.02 -0.04 2.34 2.32 1i48H1 GLU 228 HG3 0.03 -0.04 0.05 -0.04 2.34 2.34 1i48H1 LYS 229 H 0.03 0.46 -0.07 -0.55 8.42 8.28 1i48H1 LYS 229 HA 0.02 0.11 0.77 -0.75 4.32 4.47 1i48H1 LYS 229 HB2 0.02 -0.07 0.18 -0.04 1.87 1.96 1i48H1 LYS 229 HB3 0.02 0.08 0.26 -0.04 1.79 2.10 1i48H1 LYS 229 HG2 0.01 -0.05 -0.02 -0.04 1.46 1.36 1i48H1 LYS 229 HG3 -0.00 -0.08 0.04 -0.04 1.46 1.38 1i48H1 LYS 229 HD2 0.01 0.02 -0.20 -0.04 1.69 1.47 1i48H1 LYS 229 HD3 0.01 0.04 0.05 -0.04 1.68 1.74 1i48H1 LYS 229 HE2 0.01 0.03 -0.19 -0.04 2.99 2.81 1i48H1 LYS 229 HE3 0.00 -0.07 -0.07 -0.04 2.99 2.82 1i48H1 GLY 230 H 0.06 0.27 -0.60 -0.55 8.43 7.61 1i48H1 GLY 230 HA2 0.07 0.00 0.30 -0.51 4.01 3.87 1i48H1 GLY 230 HA3 0.05 0.02 0.41 -0.51 4.01 3.97 1i48H1 ALA 231 H 0.04 0.20 -0.50 -0.55 8.40 7.59 1i48H1 ALA 231 HA 0.05 0.26 0.29 -0.75 4.34 4.19 1i48H1 ALA 231 HB3 0.03 -0.06 -0.16 -0.04 1.41 1.18 1i48H1 LEU 232 H 0.06 0.23 0.09 -0.55 8.37 8.21 1i48H1 LEU 232 HA 0.06 0.19 0.86 -0.75 4.35 4.71 1i48H1 LEU 232 HB2 0.06 0.14 0.26 -0.04 1.64 2.06 1i48H1 LEU 232 HB3 0.06 -0.13 -0.04 -0.04 1.64 1.49 1i48H1 LEU 232 HG 0.06 0.19 -0.04 -0.04 1.64 1.81 1i48H1 LEU 232 HD13 0.04 -0.02 -0.03 -0.04 0.93 0.88 1i48H1 LEU 232 HD23 0.10 -0.00 0.03 -0.04 0.89 0.98 1i48H1 VAL 233 H 0.03 0.20 0.19 -0.55 8.24 8.11 1i48H1 VAL 233 HA 0.09 0.36 1.13 -0.75 4.13 4.95 1i48H1 VAL 233 HB -0.00 -0.15 0.19 -0.04 2.12 2.12 1i48H1 VAL 233 HG13 0.12 -0.01 -0.19 -0.04 0.97 0.85 1i48H1 VAL 233 HG23 -0.16 0.04 -0.20 -0.04 0.95 0.59 1i48H1 CYS 234 H -0.00 0.75 0.32 -0.55 8.50 9.02 1i48H1 CYS 234 HA 0.03 0.27 1.13 -0.75 4.58 5.26 1i48H1 CYS 234 HB2 0.08 0.02 -0.11 -0.04 2.97 2.92 1i48H1 CYS 234 HB3 0.21 0.02 0.07 -0.04 2.97 3.23 1i48H1 ILE 235 H -0.04 0.63 0.39 -0.55 8.25 8.69 1i48H1 ILE 235 HA -0.25 0.52 1.21 -0.75 4.18 4.91 1i48H1 ILE 235 HB -0.07 -0.05 0.12 -0.04 1.89 1.86 1i48H1 ILE 235 HG12 -0.04 -0.00 -0.20 -0.04 1.49 1.21 1i48H1 ILE 235 HG13 -0.03 -0.03 -0.08 -0.04 1.21 1.02 1i48H1 ILE 235 HG23 -0.09 -0.02 -0.14 -0.04 0.93 0.63 1i48H1 ILE 235 HD13 -0.14 0.04 -0.22 -0.04 0.88 0.52 1i48H1 ASP 236 H -0.27 0.47 0.33 -0.55 8.40 8.39 1i48H1 ASP 236 HA -0.15 0.32 1.00 -0.75 4.63 5.05 1i48H1 ASP 236 HB2 -0.12 0.08 -0.00 -0.04 2.71 2.62 1i48H1 ASP 236 HB3 -0.15 -0.07 0.25 -0.04 2.70 2.69 1i48H1 GLY 237 H -0.34 0.29 0.05 -0.55 8.43 7.89 1i48H1 GLY 237 HA2 0.02 0.25 0.47 -0.51 4.01 4.23 1i48H1 GLY 237 HA3 -0.04 0.08 0.31 -0.51 4.01 3.85 1i48H1 THR 238 H 0.00 0.22 -0.71 -0.55 8.28 7.24 1i48H1 THR 238 HA 0.29 -0.06 0.36 -0.75 4.39 4.24 1i48H1 THR 238 HB 0.00 0.07 0.13 -0.04 4.32 4.48 1i48H1 THR 238 HG23 -0.06 0.02 -0.11 -0.04 1.22 1.03 1i48H1 PHE 239 H 0.25 0.15 -0.10 -0.55 8.34 8.09 1i48H1 PHE 239 HA 0.54 0.00 0.25 -0.75 4.62 4.66 1i48H1 PHE 239 HB2 0.10 0.07 -0.06 -0.04 3.15 3.22 1i48H1 PHE 239 HB3 0.11 0.08 -0.13 -0.04 3.06 3.08 1i48H1 PHE 239 HD2 0.07 0.06 -0.11 -0.04 7.28 7.26 1i48H1 PHE 239 HE2 -0.46 -0.04 -0.15 -0.04 7.38 6.69 1i48H1 PHE 239 HZ -0.46 -0.02 -0.10 -0.04 7.32 6.70 1i48H1 ALA 240 H 0.23 -0.05 -0.69 -0.55 8.40 7.34 1i48H1 ALA 240 HA 0.05 0.03 0.41 -0.75 4.34 4.09 1i48H1 ALA 240 HB3 0.07 0.03 0.09 -0.04 1.41 1.56 1i48H1 THR 241 H 0.18 0.53 0.07 -0.55 8.28 8.51 1i48H1 THR 241 HA -0.09 0.00 0.38 -0.75 4.39 3.93 1i48H1 THR 241 HB -0.16 0.44 0.82 -0.04 4.32 5.38 1i48H1 THR 241 HG23 -0.11 -0.30 -0.07 -0.04 1.22 0.71 1i48H1 PRO 242 HA 0.02 0.27 0.41 -0.51 4.44 4.62 1i48H1 PRO 242 HB2 -0.06 0.11 -0.15 -0.04 2.28 2.13 1i48H1 PRO 242 HB3 -0.04 0.01 0.02 -0.04 2.02 1.97 1i48H1 PRO 242 HG2 -0.13 0.04 0.00 -0.04 2.03 1.91 1i48H1 PRO 242 HG3 -0.21 0.04 0.02 -0.04 2.03 1.84 1i48H1 PRO 242 HD2 -0.25 0.07 0.19 -0.04 3.68 3.65 1i48H1 PRO 242 HD3 -0.76 0.06 0.11 -0.04 3.65 3.03 1i48H1 LEU 243 H -0.07 -0.03 -0.64 -0.55 8.37 7.09 1i48H1 LEU 243 HA -0.04 0.14 0.51 -0.75 4.35 4.21 1i48H1 LEU 243 HB2 -0.06 0.02 -0.01 -0.04 1.64 1.55 1i48H1 LEU 243 HB3 -0.03 0.01 -0.04 -0.04 1.64 1.54 1i48H1 LEU 243 HG -0.05 -0.03 -0.08 -0.04 1.64 1.44 1i48H1 LEU 243 HD13 0.03 -0.01 -0.14 -0.04 0.93 0.77 1i48H1 LEU 243 HD23 -0.04 0.01 -0.13 -0.04 0.89 0.70 1i48H1 ASN 244 H -0.07 0.31 -0.12 -0.55 8.53 8.10 1i48H1 ASN 244 HA -0.10 0.10 0.61 -0.75 4.76 4.62 1i48H1 ASN 244 HB2 -0.09 0.33 0.04 -0.04 2.88 3.13 1i48H1 ASN 244 HB3 -0.13 -0.04 0.07 -0.04 2.79 2.64 1i48H1 ASN 244 HD21 -0.06 -0.05 0.12 -0.04 7.03 7.00 1i48H1 ASN 244 HD22 -0.09 0.18 0.09 -0.04 7.74 7.88 1i48H1 GLN 245 H -0.03 0.29 -0.45 -0.55 8.47 7.72 1i48H1 GLN 245 HA -0.05 0.16 0.40 -0.75 4.36 4.12 1i48H1 GLN 245 HB2 -0.04 0.12 0.08 -0.04 2.15 2.27 1i48H1 GLN 245 HB3 -0.06 0.09 -0.44 -0.04 2.02 1.57 1i48H1 GLN 245 HG2 0.02 -0.03 -0.14 -0.04 2.40 2.21 1i48H1 GLN 245 HG3 -0.00 -0.25 -0.32 -0.04 2.39 1.78 1i48H1 GLN 245 HE21 0.01 0.53 0.14 -0.04 6.97 7.60 1i48H1 GLN 245 HE22 0.02 -0.20 0.00 -0.04 7.69 7.47 1i48H1 LYS 246 H -0.02 0.28 0.04 -0.55 8.42 8.16 1i48H1 LYS 246 HA 0.01 0.22 0.97 -0.75 4.32 4.77 1i48H1 LYS 246 HB2 -0.01 -0.05 0.25 -0.04 1.87 2.03 1i48H1 LYS 246 HB3 0.00 0.12 0.17 -0.04 1.79 2.04 1i48H1 LYS 246 HG2 -0.02 -0.06 -0.06 -0.04 1.46 1.28 1i48H1 LYS 246 HG3 -0.01 0.05 0.02 -0.04 1.46 1.48 1i48H1 LYS 246 HD2 -0.01 0.07 0.03 -0.04 1.69 1.73 1i48H1 LYS 246 HD3 -0.01 0.13 -0.31 -0.04 1.68 1.44 1i48H1 LYS 246 HE2 -0.03 0.02 0.02 -0.04 2.99 2.96 1i48H1 LYS 246 HE3 -0.02 -0.07 0.01 -0.04 2.99 2.87 1i48H1 ALA 247 H 0.01 0.25 -0.22 -0.55 8.40 7.90 1i48H1 ALA 247 HA 0.00 0.02 0.28 -0.75 4.34 3.89 1i48H1 ALA 247 HB3 -0.01 0.01 0.01 -0.04 1.41 1.39 1i48H1 LEU 248 H 0.02 0.06 -0.55 -0.55 8.37 7.35 1i48H1 LEU 248 HA 0.03 0.16 0.29 -0.75 4.35 4.08 1i48H1 LEU 248 HB2 0.02 0.07 0.06 -0.04 1.64 1.75 1i48H1 LEU 248 HB3 0.01 0.12 -0.08 -0.04 1.64 1.65 1i48H1 LEU 248 HG 0.02 -0.19 -0.10 -0.04 1.64 1.33 1i48H1 LEU 248 HD13 0.02 0.05 -0.20 -0.04 0.93 0.76 1i48H1 LEU 248 HD23 0.02 0.02 -0.14 -0.04 0.89 0.75 1i48H1 ALA 249 H 0.01 0.33 0.05 -0.55 8.40 8.25 1i48H1 ALA 249 HA 0.01 0.10 0.47 -0.75 4.34 4.16 1i48H1 ALA 249 HB3 -0.00 0.01 0.13 -0.04 1.41 1.50 1i48H1 LEU 250 H 0.01 0.23 -0.38 -0.55 8.37 7.68 1i48H1 LEU 250 HA 0.01 0.07 0.39 -0.75 4.35 4.08 1i48H1 LEU 250 HB2 0.01 0.10 0.09 -0.04 1.64 1.80 1i48H1 LEU 250 HB3 0.01 -0.24 0.09 -0.04 1.64 1.46 1i48H1 LEU 250 HG -0.01 -0.08 -0.15 -0.04 1.64 1.36 1i48H1 LEU 250 HD13 -0.01 -0.03 0.05 -0.04 0.93 0.90 1i48H1 LEU 250 HD23 -0.01 0.04 -0.06 -0.04 0.89 0.83 1i48H1 GLY 251 H 0.04 0.44 -0.71 -0.55 8.43 7.65 1i48H1 GLY 251 HA2 0.06 0.06 0.26 -0.51 4.01 3.88 1i48H1 GLY 251 HA3 0.09 0.10 0.83 -0.51 4.01 4.52 1i48H1 ALA 252 H 0.05 0.26 -0.06 -0.55 8.40 8.11 1i48H1 ALA 252 HA 0.08 -0.04 0.33 -0.75 4.34 3.95 1i48H1 ALA 252 HB3 0.02 -0.05 -0.18 -0.04 1.41 1.16 1i48H1 ASP 253 H 0.08 0.32 0.38 -0.55 8.40 8.64 1i48H1 ASP 253 HA 0.10 0.16 0.73 -0.75 4.63 4.87 1i48H1 ASP 253 HB2 0.08 0.05 0.30 -0.04 2.71 3.11 1i48H1 ASP 253 HB3 0.08 -0.03 0.06 -0.04 2.70 2.77 1i48H1 LEU 254 H 0.04 0.45 0.38 -0.55 8.37 8.69 1i48H1 LEU 254 HA 0.02 0.30 1.02 -0.75 4.35 4.94 1i48H1 LEU 254 HB2 0.03 -0.08 0.04 -0.04 1.64 1.59 1i48H1 LEU 254 HB3 0.01 -0.03 -0.04 -0.04 1.64 1.54 1i48H1 LEU 254 HG 0.03 -0.02 -0.39 -0.04 1.64 1.22 1i48H1 LEU 254 HD13 0.01 -0.00 -0.16 -0.04 0.93 0.74 1i48H1 LEU 254 HD23 0.01 0.02 -0.06 -0.04 0.89 0.81 1i48H1 VAL 255 H -0.00 0.70 0.39 -0.55 8.24 8.78 1i48H1 VAL 255 HA -0.07 0.33 1.14 -0.75 4.13 4.78 1i48H1 VAL 255 HB -0.02 -0.02 -0.07 -0.04 2.12 1.97 1i48H1 VAL 255 HG13 0.03 0.03 0.03 -0.04 0.97 1.03 1i48H1 VAL 255 HG23 -0.18 -0.03 -0.05 -0.04 0.95 0.66 1i48H1 LEU 256 H -0.20 0.48 0.43 -0.55 8.37 8.53 1i48H1 LEU 256 HA -0.05 0.24 1.00 -0.75 4.35 4.77 1i48H1 LEU 256 HB2 -0.03 0.05 0.10 -0.04 1.64 1.71 1i48H1 LEU 256 HB3 -0.02 0.03 -0.12 -0.04 1.64 1.49 1i48H1 LEU 256 HG -0.00 0.01 -0.01 -0.04 1.64 1.59 1i48H1 LEU 256 HD13 0.03 -0.05 -0.24 -0.04 0.93 0.63 1i48H1 LEU 256 HD23 0.10 0.02 -0.24 -0.04 0.89 0.73 1i48H1 HIS 257 H 0.09 0.46 0.32 -0.55 8.41 8.73 1i48H1 HIS 257 HA -0.02 0.10 0.89 -0.75 4.63 4.84 1i48H1 HIS 257 HB2 -0.01 0.00 -0.11 -0.04 3.26 3.10 1i48H1 HIS 257 HB3 0.01 -0.01 -0.01 -0.04 3.20 3.15 1i48H1 HIS 257 HD2 -0.01 0.06 -0.15 -0.04 6.97 6.83 1i48H1 HIS 257 HE1 0.00 0.08 -0.14 -0.04 7.75 7.65 1i48H1 SER 258 H -0.00 0.20 0.11 -0.55 8.46 8.22 1i48H1 SER 258 HA -0.07 0.09 0.94 -0.75 4.49 4.70 1i48H1 SER 258 HB2 -0.19 -0.01 0.16 -0.04 3.95 3.87 1i48H1 SER 258 HB3 -0.21 0.06 0.25 -0.04 3.93 3.99 1i48H1 ALA 259 H -0.02 0.31 -0.05 -0.55 8.40 8.10 1i48H1 ALA 259 HA -0.03 -0.08 0.24 -0.75 4.34 3.72 1i48H1 ALA 259 HB3 -0.03 0.05 -0.17 -0.04 1.41 1.21 1i48H1 THR 260 H -0.11 -0.05 -0.89 -0.55 8.28 6.68 1i48H1 THR 260 HA -0.10 0.26 0.41 -0.75 4.39 4.21 1i48H1 THR 260 HB -0.21 -0.04 0.08 -0.04 4.32 4.11 1i48H1 THR 260 HG23 -0.14 0.07 0.06 -0.04 1.22 1.17 1i48H1 LYS 261 H -0.23 0.61 -0.10 -0.55 8.42 8.14 1i48H1 LYS 261 HA -0.41 0.24 0.87 -0.75 4.32 4.26 1i48H1 LYS 261 HB2 -0.43 -0.26 0.19 -0.04 1.87 1.33 1i48H1 LYS 261 HB3 -1.10 0.27 0.04 -0.04 1.79 0.96 1i48H1 LYS 261 HG2 -0.48 -0.08 0.11 -0.04 1.46 0.98 1i48H1 LYS 261 HG3 -0.71 -0.11 0.06 -0.04 1.46 0.65 1i48H1 LYS 261 HD2 -2.76 0.01 -0.03 -0.04 1.69 -1.13 1i48H1 LYS 261 HD3 -0.97 0.05 0.08 -0.04 1.68 0.80 1i48H1 LYS 261 HE2 -0.44 -0.03 0.03 -0.04 2.99 2.51 1i48H1 LYS 261 HE3 -0.40 -0.01 -0.02 -0.04 2.99 2.52 1i48H1 PHE 262 H -0.04 0.03 0.08 -0.55 8.34 7.86 1i48H1 PHE 262 HA 0.00 0.38 0.71 -0.75 4.62 4.96 1i48H1 PHE 262 HB2 0.00 -0.10 0.13 -0.04 3.15 3.13 1i48H1 PHE 262 HB3 0.02 0.05 -0.05 -0.04 3.06 3.04 1i48H1 PHE 262 HD2 0.11 0.11 -0.00 -0.04 7.28 7.45 1i48H1 PHE 262 HE2 0.28 0.05 -0.01 -0.04 7.38 7.66 1i48H1 PHE 262 HZ 0.31 -0.15 -0.01 -0.04 7.32 7.43 1i48H1 LEU 263 H 0.08 -0.03 0.01 -0.55 8.37 7.88 1i48H1 LEU 263 HA 0.02 0.07 0.29 -0.75 4.35 3.98 1i48H1 LEU 263 HB2 -0.02 -0.11 0.09 -0.04 1.64 1.56 1i48H1 LEU 263 HB3 -0.03 0.10 -0.06 -0.04 1.64 1.61 1i48H1 LEU 263 HG -0.07 -0.11 0.01 -0.04 1.64 1.43 1i48H1 LEU 263 HD13 -0.08 -0.01 -0.08 -0.04 0.93 0.72 1i48H1 LEU 263 HD23 -0.11 0.03 0.00 -0.04 0.89 0.77 1i48H1 GLY 264 H -0.00 0.19 -0.47 -0.55 8.43 7.59 1i48H1 GLY 264 HA2 0.02 0.13 0.59 -0.51 4.01 4.24 1i48H1 GLY 264 HA3 0.00 -0.02 0.14 -0.51 4.01 3.62 1i48H1 GLY 265 H 0.01 0.03 -0.44 -0.55 8.43 7.49 1i48H1 GLY 265 HA2 -0.03 0.27 0.27 -0.51 4.01 4.01 1i48H1 GLY 265 HA3 0.06 0.11 0.35 -0.51 4.01 4.01 1i48H1 HIS 266 H 0.09 -0.04 -0.45 -0.55 8.41 7.46 1i48H1 HIS 266 HA -0.01 0.10 0.98 -0.75 4.63 4.95 1i48H1 HIS 266 HB2 -0.02 0.00 -0.03 -0.04 3.26 3.17 1i48H1 HIS 266 HB3 -0.02 -0.04 0.09 -0.04 3.20 3.19 1i48H1 HIS 266 HD2 0.00 -0.06 0.04 -0.04 6.97 6.91 1i48H1 HIS 266 HE1 0.01 0.04 0.01 -0.04 7.75 7.76 1i48H1 ASN 267 H -0.03 0.11 0.01 -0.55 8.53 8.08 1i48H1 ASN 267 HA -0.08 0.06 0.32 -0.75 4.76 4.31 1i48H1 ASN 267 HB2 -0.07 0.18 -0.09 -0.04 2.88 2.86 1i48H1 ASN 267 HB3 -0.10 0.02 0.14 -0.04 2.79 2.80 1i48H1 ASN 267 HD21 -0.04 0.12 -0.16 -0.04 7.03 6.91 1i48H1 ASN 267 HD22 -0.06 0.05 -0.17 -0.04 7.74 7.51 1i48H1 ASP 268 H -0.00 0.00 -0.28 -0.55 8.40 7.57 1i48H1 ASP 268 HA -0.03 0.22 0.82 -0.75 4.63 4.88 1i48H1 ASP 268 HB2 -0.01 -0.03 0.13 -0.04 2.71 2.76 1i48H1 ASP 268 HB3 0.01 0.15 -0.16 -0.04 2.70 2.66 1i48H1 VAL 269 H -0.04 0.18 0.00 -0.55 8.24 7.83 1i48H1 VAL 269 HA -0.03 0.09 0.47 -0.75 4.13 3.90 1i48H1 VAL 269 HB -0.02 0.21 -0.10 -0.04 2.12 2.16 1i48H1 VAL 269 HG13 -0.03 -0.04 -0.26 -0.04 0.97 0.59 1i48H1 VAL 269 HG23 -0.03 -0.00 -0.16 -0.04 0.95 0.72 1i48H1 LEU 270 H -0.04 0.24 0.16 -0.55 8.37 8.19 1i48H1 LEU 270 HA -0.07 0.06 0.91 -0.75 4.35 4.50 1i48H1 LEU 270 HB2 -0.03 0.12 0.12 -0.04 1.64 1.81 1i48H1 LEU 270 HB3 -0.05 -0.14 0.11 -0.04 1.64 1.52 1i48H1 LEU 270 HG -0.04 0.06 -0.04 -0.04 1.64 1.58 1i48H1 LEU 270 HD13 -0.04 -0.01 -0.01 -0.04 0.93 0.82 1i48H1 LEU 270 HD23 -0.07 -0.04 -0.33 -0.04 0.89 0.41 1i48H1 ALA 271 H -0.07 0.00 0.09 -0.55 8.40 7.88 1i48H1 ALA 271 HA -0.03 0.18 -0.09 -0.75 4.34 3.65 1i48H1 ALA 271 HB3 -0.03 0.10 -0.20 -0.04 1.41 1.24 1i48H1 GLY 272 H -0.03 0.43 -0.20 -0.55 8.43 8.08 1i48H1 GLY 272 HA2 -0.04 0.11 1.01 -0.51 4.01 4.59 1i48H1 GLY 272 HA3 -0.05 -0.02 -0.14 -0.51 4.01 3.29 1i48H1 CYS 273 H -0.01 0.41 0.32 -0.55 8.50 8.67 1i48H1 CYS 273 HA -0.04 0.21 0.76 -0.75 4.58 4.77 1i48H1 CYS 273 HB2 -0.01 0.21 0.10 -0.04 2.97 3.23 1i48H1 CYS 273 HB3 -0.01 0.02 -0.22 -0.04 2.97 2.71 1i48H1 ILE 274 H -0.03 0.56 0.34 -0.55 8.25 8.56 1i48H1 ILE 274 HA -0.01 0.23 1.10 -0.75 4.18 4.75 1i48H1 ILE 274 HB -0.05 -0.04 0.05 -0.04 1.89 1.82 1i48H1 ILE 274 HG12 -0.03 0.04 -0.16 -0.04 1.49 1.30 1i48H1 ILE 274 HG13 -0.04 -0.21 -0.51 -0.04 1.21 0.40 1i48H1 ILE 274 HG23 -0.02 0.03 -0.21 -0.04 0.93 0.69 1i48H1 ILE 274 HD13 -0.06 0.03 -0.23 -0.04 0.88 0.58 1i48H1 SER 275 H 0.01 0.77 0.44 -0.55 8.46 9.13 1i48H1 SER 275 HA -0.00 0.27 1.21 -0.75 4.49 5.21 1i48H1 SER 275 HB2 0.03 0.02 -0.05 -0.04 3.95 3.91 1i48H1 SER 275 HB3 0.01 0.04 -0.03 -0.04 3.93 3.91 1i48H1 GLY 276 H 0.00 0.70 0.42 -0.55 8.43 9.01 1i48H1 GLY 276 HA2 0.01 0.11 0.45 -0.51 4.01 4.07 1i48H1 GLY 276 HA3 0.01 0.17 0.64 -0.51 4.01 4.32 1i48H1 PRO 277 HA 0.00 0.02 0.60 -0.51 4.44 4.55 1i48H1 PRO 277 HB2 0.00 -0.07 0.03 -0.04 2.28 2.20 1i48H1 PRO 277 HB3 0.00 0.14 0.18 -0.04 2.02 2.30 1i48H1 PRO 277 HG2 0.01 -0.10 0.13 -0.04 2.03 2.03 1i48H1 PRO 277 HG3 0.02 0.17 0.16 -0.04 2.03 2.33 1i48H1 PRO 277 HD2 0.02 0.21 0.37 -0.04 3.68 4.23 1i48H1 PRO 277 HD3 0.02 0.28 0.35 -0.04 3.65 4.26 1i48H1 LEU 278 H -0.00 0.20 0.21 -0.55 8.37 8.22 1i48H1 LEU 278 HA -0.01 0.05 0.34 -0.75 4.35 3.98 1i48H1 LEU 278 HB2 -0.00 0.05 0.17 -0.04 1.64 1.82 1i48H1 LEU 278 HB3 -0.00 -0.01 0.11 -0.04 1.64 1.70 1i48H1 LEU 278 HG -0.01 -0.00 -0.01 -0.04 1.64 1.59 1i48H1 LEU 278 HD13 -0.00 0.03 0.00 -0.04 0.93 0.92 1i48H1 LEU 278 HD23 -0.01 -0.01 -0.13 -0.04 0.89 0.69 1i48H1 LYS 279 H -0.00 0.12 -0.05 -0.55 8.42 7.94 1i48H1 LYS 279 HA -0.00 0.06 0.28 -0.75 4.32 3.90 1i48H1 LYS 279 HB2 -0.00 -0.01 0.10 -0.04 1.87 1.91 1i48H1 LYS 279 HB3 0.00 0.00 -0.03 -0.04 1.79 1.72 1i48H1 LYS 279 HG2 -0.00 0.01 0.09 -0.04 1.46 1.52 1i48H1 LYS 279 HG3 -0.00 0.01 0.02 -0.04 1.46 1.45 1i48H1 LYS 279 HD2 0.00 0.01 -0.05 -0.04 1.69 1.62 1i48H1 LYS 279 HD3 0.01 0.01 -0.29 -0.04 1.68 1.36 1i48H1 LYS 279 HE2 0.01 0.05 -0.04 -0.04 2.99 2.97 1i48H1 LYS 279 HE3 0.00 -0.01 -0.01 -0.04 2.99 2.94 1i48H1 LEU 280 H 0.00 0.14 -0.85 -0.55 8.37 7.11 1i48H1 LEU 280 HA 0.00 0.18 0.74 -0.75 4.35 4.52 1i48H1 LEU 280 HB2 0.01 0.02 0.09 -0.04 1.64 1.72 1i48H1 LEU 280 HB3 0.01 -0.03 -0.08 -0.04 1.64 1.50 1i48H1 LEU 280 HG 0.02 -0.02 -0.06 -0.04 1.64 1.54 1i48H1 LEU 280 HD13 0.03 0.01 -0.06 -0.04 0.93 0.87 1i48H1 LEU 280 HD23 0.02 0.03 -0.03 -0.04 0.89 0.86 1i48H1 VAL 281 H -0.00 0.58 0.06 -0.55 8.24 8.33 1i48H1 VAL 281 HA -0.02 -0.02 0.23 -0.75 4.13 3.57 1i48H1 VAL 281 HB -0.01 0.01 -0.13 -0.04 2.12 1.95 1i48H1 VAL 281 HG13 -0.01 0.06 -0.10 -0.04 0.97 0.87 1i48H1 VAL 281 HG23 -0.03 -0.03 -0.32 -0.04 0.95 0.53 1i48H1 SER 282 H -0.02 0.62 -0.21 -0.55 8.46 8.31 1i48H1 SER 282 HA -0.04 -0.05 0.30 -0.75 4.49 3.95 1i48H1 SER 282 HB2 -0.02 -0.01 -0.09 -0.04 3.95 3.79 1i48H1 SER 282 HB3 -0.02 -0.05 -0.02 -0.04 3.93 3.80 1i48H1 GLU 283 H -0.01 0.40 -0.31 -0.55 8.60 8.13 1i48H1 GLU 283 HA -0.01 -0.01 0.34 -0.75 4.29 3.85 1i48H1 GLU 283 HB2 -0.00 0.27 0.17 -0.04 2.09 2.49 1i48H1 GLU 283 HB3 -0.00 0.04 -0.07 -0.04 1.99 1.92 1i48H1 GLU 283 HG2 -0.01 -0.08 0.07 -0.04 2.34 2.29 1i48H1 GLU 283 HG3 0.00 0.06 0.10 -0.04 2.34 2.46 1i48H1 ILE 284 H -0.02 0.39 -0.40 -0.55 8.25 7.66 1i48H1 ILE 284 HA -0.01 0.10 0.43 -0.75 4.18 3.95 1i48H1 ILE 284 HB -0.04 0.04 0.04 -0.04 1.89 1.89 1i48H1 ILE 284 HG12 -0.01 0.06 -0.14 -0.04 1.49 1.36 1i48H1 ILE 284 HG13 -0.02 0.18 -0.05 -0.04 1.21 1.28 1i48H1 ILE 284 HG23 -0.02 -0.03 -0.21 -0.04 0.93 0.62 1i48H1 ILE 284 HD13 -0.02 -0.04 -0.11 -0.04 0.88 0.66 1i48H1 ARG 285 H -0.05 0.56 0.03 -0.55 8.46 8.44 1i48H1 ARG 285 HA -0.07 -0.08 0.30 -0.75 4.34 3.73 1i48H1 ARG 285 HB2 -0.09 -0.06 0.02 -0.04 1.90 1.73 1i48H1 ARG 285 HB3 -0.10 0.16 0.14 -0.04 1.80 1.96 1i48H1 ARG 285 HG2 -0.22 0.04 -0.11 -0.04 1.67 1.33 1i48H1 ARG 285 HG3 -0.52 -0.05 -0.07 -0.04 1.67 0.99 1i48H1 ARG 285 HD2 0.03 0.06 -0.02 -0.04 3.22 3.25 1i48H1 ARG 285 HD3 -0.04 -0.09 -0.01 -0.04 3.22 3.04 1i48H1 ASN 286 H -0.07 0.60 -0.38 -0.55 8.53 8.14 1i48H1 ASN 286 HA -0.08 0.00 0.37 -0.75 4.76 4.31 1i48H1 ASN 286 HB2 -0.02 0.22 0.11 -0.04 2.88 3.15 1i48H1 ASN 286 HB3 -0.00 -0.01 -0.04 -0.04 2.79 2.70 1i48H1 ASN 286 HD21 -0.01 -0.04 -0.04 -0.04 7.03 6.90 1i48H1 ASN 286 HD22 -0.01 0.04 -0.01 -0.04 7.74 7.72 1i48H1 LEU 287 H 0.00 0.43 -0.05 -0.55 8.37 8.20 1i48H1 LEU 287 HA 0.03 0.01 0.36 -0.75 4.35 3.99 1i48H1 LEU 287 HB2 0.02 0.08 0.11 -0.04 1.64 1.82 1i48H1 LEU 287 HB3 0.02 0.11 0.13 -0.04 1.64 1.87 1i48H1 LEU 287 HG 0.04 -0.11 -0.29 -0.04 1.64 1.24 1i48H1 LEU 287 HD13 0.03 -0.02 0.04 -0.04 0.93 0.94 1i48H1 LEU 287 HD23 0.03 0.03 -0.21 -0.04 0.89 0.70 1i48H1 HIS 288 H 0.09 0.59 -0.52 -0.55 8.41 8.02 1i48H1 HIS 288 HA 0.02 -0.07 0.34 -0.75 4.63 4.17 1i48H1 HIS 288 HB2 -0.02 -0.07 -0.10 -0.04 3.26 3.03 1i48H1 HIS 288 HB3 -0.08 0.26 0.15 -0.04 3.20 3.48 1i48H1 HIS 288 HD2 0.09 0.13 -0.09 -0.04 6.97 7.05 1i48H1 HIS 288 HE1 0.04 -0.02 -0.48 -0.04 7.75 7.25 1i48H1 HIS 289 H 0.05 0.71 0.01 -0.55 8.41 8.64 1i48H1 HIS 289 HA 0.06 -0.01 0.35 -0.75 4.63 4.27 1i48H1 HIS 289 HB2 0.02 0.26 0.20 -0.04 3.26 3.70 1i48H1 HIS 289 HB3 0.07 -0.09 0.02 -0.04 3.20 3.16 1i48H1 HIS 289 HD2 0.30 0.11 0.06 -0.04 6.97 7.40 1i48H1 HIS 289 HE1 0.01 -0.01 0.04 -0.04 7.75 7.75 1i48H1 ILE 290 H 0.08 0.29 -0.77 -0.55 8.25 7.30 1i48H1 ILE 290 HA 0.07 0.10 0.70 -0.75 4.18 4.30 1i48H1 ILE 290 HB 0.04 0.17 0.18 -0.04 1.89 2.23 1i48H1 ILE 290 HG12 0.04 -0.05 -0.03 -0.04 1.49 1.41 1i48H1 ILE 290 HG13 0.07 -0.01 -0.13 -0.04 1.21 1.10 1i48H1 ILE 290 HG23 0.03 -0.02 -0.15 -0.04 0.93 0.74 1i48H1 ILE 290 HD13 0.03 -0.01 -0.06 -0.04 0.88 0.79 1i48H1 LEU 291 H 0.02 0.55 0.17 -0.55 8.37 8.56 1i48H1 LEU 291 HA 0.01 0.03 0.37 -0.75 4.35 4.00 1i48H1 LEU 291 HB2 0.02 -0.05 -0.00 -0.04 1.64 1.56 1i48H1 LEU 291 HB3 0.02 -0.07 0.04 -0.04 1.64 1.58 1i48H1 LEU 291 HG 0.04 0.20 0.02 -0.04 1.64 1.85 1i48H1 LEU 291 HD13 0.04 -0.03 -0.06 -0.04 0.93 0.84 1i48H1 LEU 291 HD23 0.03 -0.02 -0.04 -0.04 0.89 0.82 1i48H1 GLY 292 H -0.06 0.27 -0.87 -0.55 8.43 7.22 1i48H1 GLY 292 HA2 -0.12 -0.01 0.27 -0.51 4.01 3.64 1i48H1 GLY 292 HA3 -0.02 0.05 0.26 -0.51 4.01 3.78 1i48H1 GLY 293 H -0.31 0.18 -0.06 -0.55 8.43 7.69 1i48H1 GLY 293 HA2 0.03 0.27 0.85 -0.51 4.01 4.64 1i48H1 GLY 293 HA3 0.08 -0.12 0.27 -0.51 4.01 3.73 1i48H1 ALA 294 H -0.00 0.11 -0.18 -0.55 8.40 7.78 1i48H1 ALA 294 HA 0.30 0.04 0.32 -0.75 4.34 4.24 1i48H1 ALA 294 HB3 0.10 0.05 0.02 -0.04 1.41 1.53 1i48H1 LEU 295 H 0.11 0.17 0.08 -0.55 8.37 8.18 1i48H1 LEU 295 HA 0.03 0.10 0.69 -0.75 4.35 4.41 1i48H1 LEU 295 HB2 0.02 0.25 -0.21 -0.04 1.64 1.65 1i48H1 LEU 295 HB3 0.03 -0.04 0.01 -0.04 1.64 1.60 1i48H1 LEU 295 HG 0.01 0.11 -0.33 -0.04 1.64 1.39 1i48H1 LEU 295 HD13 -0.00 -0.02 0.07 -0.04 0.93 0.94 1i48H1 LEU 295 HD23 0.00 -0.03 -0.12 -0.04 0.89 0.70 1i48H1 ASN 296 H 0.01 0.14 0.14 -0.55 8.53 8.27 1i48H1 ASN 296 HA -0.01 0.19 0.39 -0.75 4.76 4.58 1i48H1 ASN 296 HB2 -0.01 0.11 0.10 -0.04 2.88 3.05 1i48H1 ASN 296 HB3 -0.01 -0.08 0.11 -0.04 2.79 2.78 1i48H1 ASN 296 HD21 -0.04 0.00 0.01 -0.04 7.03 6.96 1i48H1 ASN 296 HD22 -0.03 0.07 0.01 -0.04 7.74 7.76 1i48H1 PRO 297 HA 0.00 0.05 0.35 -0.51 4.44 4.33 1i48H1 PRO 297 HB2 -0.03 -0.05 0.00 -0.04 2.28 2.15 1i48H1 PRO 297 HB3 -0.03 -0.05 0.07 -0.04 2.02 1.97 1i48H1 PRO 297 HG2 -0.06 0.14 0.20 -0.04 2.03 2.26 1i48H1 PRO 297 HG3 -0.05 0.05 0.19 -0.04 2.03 2.18 1i48H1 PRO 297 HD2 -0.04 0.06 0.19 -0.04 3.68 3.85 1i48H1 PRO 297 HD3 -0.03 0.26 0.24 -0.04 3.65 4.07 1i48H1 ASN 298 H -0.02 0.18 -0.12 -0.55 8.53 8.03 1i48H1 ASN 298 HA 0.02 0.04 0.28 -0.75 4.76 4.35 1i48H1 ASN 298 HB2 -0.01 -0.03 0.00 -0.04 2.88 2.80 1i48H1 ASN 298 HB3 -0.01 0.07 -0.04 -0.04 2.79 2.78 1i48H1 ASN 298 HD21 -0.05 0.05 -0.01 -0.04 7.03 6.98 1i48H1 ASN 298 HD22 -0.03 -0.03 0.01 -0.04 7.74 7.65 1i48H1 ALA 299 H 0.00 0.11 -0.59 -0.55 8.40 7.38 1i48H1 ALA 299 HA 0.00 0.03 0.37 -0.75 4.34 3.99 1i48H1 ALA 299 HB3 -0.00 0.06 0.08 -0.04 1.41 1.50 1i48H1 ALA 300 H 0.01 0.46 -0.04 -0.55 8.40 8.29 1i48H1 ALA 300 HA -0.01 -0.05 0.29 -0.75 4.34 3.83 1i48H1 ALA 300 HB3 0.02 0.02 0.01 -0.04 1.41 1.42 1i48H1 TYR 301 H 0.13 0.54 -0.19 -0.55 8.29 8.21 1i48H1 TYR 301 HA -0.03 0.03 0.32 -0.75 4.56 4.12 1i48H1 TYR 301 HB2 -0.03 -0.05 -0.02 -0.04 3.06 2.92 1i48H1 TYR 301 HB3 -0.04 0.07 0.08 -0.04 2.98 3.05 1i48H1 TYR 301 HD2 -0.03 0.04 -0.13 -0.04 7.15 6.98 1i48H1 TYR 301 HE2 -0.03 -0.00 -0.03 -0.04 6.85 6.74 1i48H1 LEU 302 H 0.12 0.55 -0.07 -0.55 8.37 8.43 1i48H1 LEU 302 HA -0.05 -0.02 0.34 -0.75 4.35 3.87 1i48H1 LEU 302 HB2 -0.01 0.17 0.14 -0.04 1.64 1.90 1i48H1 LEU 302 HB3 -0.05 -0.06 -0.05 -0.04 1.64 1.44 1i48H1 LEU 302 HG 0.06 0.14 0.08 -0.04 1.64 1.89 1i48H1 LEU 302 HD13 -0.01 -0.03 -0.03 -0.04 0.93 0.83 1i48H1 LEU 302 HD23 0.04 -0.02 0.01 -0.04 0.89 0.88 1i48H1 ILE 303 H -0.06 0.49 -0.38 -0.55 8.25 7.75 1i48H1 ILE 303 HA -0.06 0.00 0.40 -0.75 4.18 3.77 1i48H1 ILE 303 HB -0.05 0.25 0.15 -0.04 1.89 2.20 1i48H1 ILE 303 HG12 -0.04 -0.06 -0.19 -0.04 1.49 1.16 1i48H1 ILE 303 HG13 -0.04 0.09 -0.15 -0.04 1.21 1.07 1i48H1 ILE 303 HG23 -0.05 -0.02 -0.28 -0.04 0.93 0.54 1i48H1 ILE 303 HD13 -0.03 -0.05 -0.25 -0.04 0.88 0.51 1i48H1 ILE 304 H -0.14 0.62 0.13 -0.55 8.25 8.32 1i48H1 ILE 304 HA -0.12 -0.03 0.36 -0.75 4.18 3.64 1i48H1 ILE 304 HB -0.34 0.10 0.20 -0.04 1.89 1.82 1i48H1 ILE 304 HG12 -0.08 -0.05 0.05 -0.04 1.49 1.37 1i48H1 ILE 304 HG13 -0.08 0.13 0.06 -0.04 1.21 1.28 1i48H1 ILE 304 HG23 -0.17 -0.00 -0.13 -0.04 0.93 0.59 1i48H1 ILE 304 HD13 -0.02 -0.06 0.01 -0.04 0.88 0.77 1i48H1 ARG 305 H -0.40 0.69 -0.33 -0.55 8.46 7.86 1i48H1 ARG 305 HA -0.26 -0.00 0.42 -0.75 4.34 3.74 1i48H1 ARG 305 HB2 -0.57 0.03 0.00 -0.04 1.90 1.32 1i48H1 ARG 305 HB3 -0.24 0.11 0.02 -0.04 1.80 1.64 1i48H1 ARG 305 HG2 -0.14 -0.01 0.06 -0.04 1.67 1.53 1i48H1 ARG 305 HG3 -0.15 -0.07 -0.02 -0.04 1.67 1.39 1i48H1 ARG 305 HD2 -0.07 0.00 -0.04 -0.04 3.22 3.07 1i48H1 ARG 305 HD3 -0.11 0.02 -0.07 -0.04 3.22 3.02 1i48H1 GLY 306 H -0.15 0.45 -0.04 -0.55 8.43 8.14 1i48H1 GLY 306 HA2 -0.04 -0.03 0.49 -0.51 4.01 3.92 1i48H1 GLY 306 HA3 -0.01 0.12 0.44 -0.51 4.01 4.05 1i48H1 MET 307 H -0.06 0.69 0.01 -0.55 8.47 8.57 1i48H1 MET 307 HA 0.02 -0.07 0.42 -0.75 4.52 4.13 1i48H1 MET 307 HB2 -0.07 0.18 0.08 -0.04 2.15 2.30 1i48H1 MET 307 HB3 -0.04 -0.10 0.14 -0.04 2.03 1.98 1i48H1 MET 307 HG2 -0.02 0.06 0.07 -0.04 2.63 2.70 1i48H1 MET 307 HG3 -0.05 0.17 -0.10 -0.04 2.56 2.54 1i48H1 MET 307 HE3 -0.07 0.00 -0.02 -0.04 2.10 1.98 1i48H1 LYS 308 H -0.04 0.32 -0.83 -0.55 8.42 7.31 1i48H1 LYS 308 HA -0.02 0.10 0.40 -0.75 4.32 4.05 1i48H1 LYS 308 HB2 -0.02 0.26 0.12 -0.04 1.87 2.18 1i48H1 LYS 308 HB3 -0.01 -0.14 0.06 -0.04 1.79 1.66 1i48H1 LYS 308 HG2 -0.10 0.28 0.16 -0.04 1.46 1.75 1i48H1 LYS 308 HG3 -0.10 -0.10 0.13 -0.04 1.46 1.36 1i48H1 LYS 308 HD2 -0.08 -0.12 0.03 -0.04 1.69 1.48 1i48H1 LYS 308 HD3 -0.08 -0.09 0.09 -0.04 1.68 1.57 1i48H1 LYS 308 HE2 -0.14 0.11 0.22 -0.04 2.99 3.14 1i48H1 LYS 308 HE3 -0.11 0.09 0.06 -0.04 2.99 2.99 1i48H1 THR 309 H 0.07 0.62 -0.37 -0.55 8.28 8.05 1i48H1 THR 309 HA 0.12 0.10 0.83 -0.75 4.39 4.69 1i48H1 THR 309 HB 0.00 -0.13 0.14 -0.04 4.32 4.29 1i48H1 THR 309 HG23 0.05 0.03 -0.16 -0.04 1.22 1.10 1i48H1 LEU 310 H 0.16 0.54 -0.26 -0.55 8.37 8.27 1i48H1 LEU 310 HA 0.10 0.15 0.36 -0.75 4.35 4.19 1i48H1 LEU 310 HB2 0.05 0.15 0.18 -0.04 1.64 1.97 1i48H1 LEU 310 HB3 0.08 -0.11 0.15 -0.04 1.64 1.72 1i48H1 LEU 310 HG 0.02 -0.08 -0.21 -0.04 1.64 1.33 1i48H1 LEU 310 HD13 0.04 0.00 -0.08 -0.04 0.93 0.85 1i48H1 LEU 310 HD23 -0.04 -0.01 -0.01 -0.04 0.89 0.79 1i48H1 HIS 311 H 0.50 0.19 -0.05 -0.55 8.41 8.51 1i48H1 HIS 311 HA -0.01 0.02 0.30 -0.75 4.63 4.18 1i48H1 HIS 311 HB2 0.00 0.04 -0.03 -0.04 3.26 3.24 1i48H1 HIS 311 HB3 -0.00 -0.04 0.07 -0.04 3.20 3.18 1i48H1 HIS 311 HD2 0.02 -0.01 -0.02 -0.04 6.97 6.91 1i48H1 HIS 311 HE1 0.01 0.45 0.02 -0.04 7.75 8.19 1i48H1 LEU 312 H -0.91 0.10 -0.28 -0.55 8.37 6.73 1i48H1 LEU 312 HA -0.19 -0.02 0.31 -0.75 4.35 3.70 1i48H1 LEU 312 HB2 -0.25 0.06 0.04 -0.04 1.64 1.46 1i48H1 LEU 312 HB3 -0.11 0.06 -0.05 -0.04 1.64 1.50 1i48H1 LEU 312 HG -0.19 0.06 0.03 -0.04 1.64 1.51 1i48H1 LEU 312 HD13 -0.08 -0.00 0.03 -0.04 0.93 0.83 1i48H1 LEU 312 HD23 -0.72 -0.02 0.01 -0.04 0.89 0.12 1i48H1 ARG 313 H -0.01 0.54 -0.24 -0.55 8.46 8.20 1i48H1 ARG 313 HA 0.03 -0.01 0.46 -0.75 4.34 4.07 1i48H1 ARG 313 HB2 0.07 0.16 0.25 -0.04 1.90 2.34 1i48H1 ARG 313 HB3 0.10 -0.03 0.00 -0.04 1.80 1.83 1i48H1 ARG 313 HG2 0.02 -0.08 0.04 -0.04 1.67 1.62 1i48H1 ARG 313 HG3 0.02 -0.01 0.08 -0.04 1.67 1.72 1i48H1 ARG 313 HD2 0.02 0.02 0.03 -0.04 3.22 3.25 1i48H1 ARG 313 HD3 -0.04 -0.05 0.02 -0.04 3.22 3.12 1i48H1 VAL 314 H 0.04 0.55 0.11 -0.55 8.24 8.40 1i48H1 VAL 314 HA -0.00 -0.03 0.32 -0.75 4.13 3.66 1i48H1 VAL 314 HB 0.00 0.02 0.06 -0.04 2.12 2.16 1i48H1 VAL 314 HG13 -0.10 -0.03 -0.06 -0.04 0.97 0.74 1i48H1 VAL 314 HG23 -0.04 0.08 -0.02 -0.04 0.95 0.93 1i48H1 GLN 315 H 0.02 0.73 -0.26 -0.55 8.47 8.42 1i48H1 GLN 315 HA 0.02 -0.05 0.37 -0.75 4.36 3.94 1i48H1 GLN 315 HB2 -0.00 0.25 0.09 -0.04 2.15 2.45 1i48H1 GLN 315 HB3 0.01 -0.02 0.09 -0.04 2.02 2.06 1i48H1 GLN 315 HG2 0.02 -0.02 0.02 -0.04 2.40 2.38 1i48H1 GLN 315 HG3 0.02 -0.05 -0.00 -0.04 2.39 2.32 1i48H1 GLN 315 HE21 0.03 -0.02 -0.03 -0.04 6.97 6.90 1i48H1 GLN 315 HE22 0.04 -0.05 -0.05 -0.04 7.69 7.60 1i48H1 GLN 316 H 0.02 0.47 0.11 -0.55 8.47 8.52 1i48H1 GLN 316 HA 0.03 -0.12 0.39 -0.75 4.36 3.90 1i48H1 GLN 316 HB2 0.03 -0.06 0.21 -0.04 2.15 2.28 1i48H1 GLN 316 HB3 0.05 0.18 0.27 -0.04 2.02 2.48 1i48H1 GLN 316 HG2 0.06 0.08 0.06 -0.04 2.40 2.56 1i48H1 GLN 316 HG3 0.08 0.03 -0.29 -0.04 2.39 2.17 1i48H1 GLN 316 HE21 0.08 -0.24 0.09 -0.04 6.97 6.85 1i48H1 GLN 316 HE22 0.09 0.15 -0.02 -0.04 7.69 7.87 1i48H1 GLN 317 H 0.09 0.64 -0.27 -0.55 8.47 8.39 1i48H1 GLN 317 HA 0.16 0.06 0.42 -0.75 4.36 4.25 1i48H1 GLN 317 HB2 0.15 -0.04 0.04 -0.04 2.15 2.27 1i48H1 GLN 317 HB3 0.29 -0.03 0.02 -0.04 2.02 2.27 1i48H1 GLN 317 HG2 0.15 -0.02 -0.09 -0.04 2.40 2.40 1i48H1 GLN 317 HG3 0.15 -0.07 -0.53 -0.04 2.39 1.90 1i48H1 GLN 317 HE21 0.38 0.13 -0.19 -0.04 6.97 7.25 1i48H1 GLN 317 HE22 0.32 -0.11 -0.17 -0.04 7.69 7.69 1i48H1 ASN 318 H 0.09 0.92 0.13 -0.55 8.53 9.12 1i48H1 ASN 318 HA 0.21 0.21 0.35 -0.75 4.76 4.78 1i48H1 ASN 318 HB2 0.07 0.24 0.27 -0.04 2.88 3.42 1i48H1 ASN 318 HB3 0.12 -0.09 0.07 -0.04 2.79 2.85 1i48H1 ASN 318 HD21 -0.04 -0.08 -0.00 -0.04 7.03 6.86 1i48H1 ASN 318 HD22 0.01 0.07 -0.01 -0.04 7.74 7.76 1i48H1 SER 319 H 0.06 0.50 -0.28 -0.55 8.46 8.19 1i48H1 SER 319 HA 0.02 -0.03 0.43 -0.75 4.49 4.15 1i48H1 SER 319 HB2 -0.01 0.08 0.24 -0.04 3.95 4.22 1i48H1 SER 319 HB3 -0.07 -0.10 0.05 -0.04 3.93 3.77 1i48H1 THR 320 H 0.02 0.48 0.15 -0.55 8.28 8.38 1i48H1 THR 320 HA 0.13 -0.15 0.34 -0.75 4.39 3.96 1i48H1 THR 320 HB -0.00 0.17 0.12 -0.04 4.32 4.57 1i48H1 THR 320 HG23 -0.22 -0.04 -0.09 -0.04 1.22 0.83 1i48H1 ALA 321 H -0.02 0.68 -0.38 -0.55 8.40 8.13 1i48H1 ALA 321 HA -0.44 -0.06 0.32 -0.75 4.34 3.41 1i48H1 ALA 321 HB3 0.13 0.02 0.07 -0.04 1.41 1.58 1i48H1 LEU 322 H -0.05 0.57 0.14 -0.55 8.37 8.48 1i48H1 LEU 322 HA -0.32 -0.09 0.36 -0.75 4.35 3.54 1i48H1 LEU 322 HB2 0.16 0.13 0.24 -0.04 1.64 2.13 1i48H1 LEU 322 HB3 -0.01 -0.06 0.25 -0.04 1.64 1.78 1i48H1 LEU 322 HG -0.01 -0.05 -0.12 -0.04 1.64 1.42 1i48H1 LEU 322 HD13 0.08 -0.01 -0.04 -0.04 0.93 0.91 1i48H1 LEU 322 HD23 0.11 0.00 0.00 -0.04 0.89 0.97 1i48H1 ARG 323 H -0.11 0.37 -0.07 -0.55 8.46 8.10 1i48H1 ARG 323 HA -0.09 -0.05 0.32 -0.75 4.34 3.77 1i48H1 ARG 323 HB2 -0.04 0.04 0.02 -0.04 1.90 1.88 1i48H1 ARG 323 HB3 -0.28 -0.06 0.01 -0.04 1.80 1.43 1i48H1 ARG 323 HG2 -0.16 0.00 0.03 -0.04 1.67 1.51 1i48H1 ARG 323 HG3 -0.30 -0.01 -0.30 -0.04 1.67 1.02 1i48H1 ARG 323 HD2 -0.40 -0.02 -0.02 -0.04 3.22 2.75 1i48H1 ARG 323 HD3 -0.21 0.01 -0.02 -0.04 3.22 2.96 1i48H1 MET 324 H -0.06 0.66 -0.12 -0.55 8.47 8.40 1i48H1 MET 324 HA -0.06 -0.11 0.34 -0.75 4.52 3.94 1i48H1 MET 324 HB2 -0.69 0.36 0.22 -0.04 2.15 2.00 1i48H1 MET 324 HB3 -0.29 -0.06 -0.06 -0.04 2.03 1.58 1i48H1 MET 324 HG2 -0.42 0.02 0.05 -0.04 2.63 2.24 1i48H1 MET 324 HG3 -0.70 -0.06 -0.05 -0.04 2.56 1.71 1i48H1 MET 324 HE3 -0.16 0.00 -0.02 -0.04 2.10 1.88 1i48H1 ALA 325 H -0.21 0.86 -0.10 -0.55 8.40 8.39 1i48H1 ALA 325 HA -0.06 -0.04 0.32 -0.75 4.34 3.81 1i48H1 ALA 325 HB3 -0.23 0.00 0.07 -0.04 1.41 1.22 1i48H1 GLU 326 H -0.07 0.47 0.01 -0.55 8.60 8.46 1i48H1 GLU 326 HA -0.04 -0.05 0.36 -0.75 4.29 3.81 1i48H1 GLU 326 HB2 -0.04 0.05 0.14 -0.04 2.09 2.21 1i48H1 GLU 326 HB3 -0.04 -0.04 0.02 -0.04 1.99 1.89 1i48H1 GLU 326 HG2 -0.04 -0.08 0.02 -0.04 2.34 2.20 1i48H1 GLU 326 HG3 -0.05 0.20 -0.01 -0.04 2.34 2.43 1i48H1 ILE 327 H -0.03 0.56 -0.04 -0.55 8.25 8.19 1i48H1 ILE 327 HA -0.01 -0.06 0.30 -0.75 4.18 3.66 1i48H1 ILE 327 HB -0.03 0.15 0.08 -0.04 1.89 2.04 1i48H1 ILE 327 HG12 0.04 -0.07 0.00 -0.04 1.49 1.42 1i48H1 ILE 327 HG13 0.02 0.17 0.07 -0.04 1.21 1.43 1i48H1 ILE 327 HG23 0.00 -0.03 -0.11 -0.04 0.93 0.75 1i48H1 ILE 327 HD13 0.21 -0.05 -0.17 -0.04 0.88 0.84 1i48H1 LEU 328 H -0.08 0.65 -0.41 -0.55 8.37 7.98 1i48H1 LEU 328 HA -0.13 -0.06 0.44 -0.75 4.35 3.84 1i48H1 LEU 328 HB2 -0.14 0.24 0.24 -0.04 1.64 1.94 1i48H1 LEU 328 HB3 -0.26 -0.09 -0.10 -0.04 1.64 1.15 1i48H1 LEU 328 HG -0.22 0.05 -0.05 -0.04 1.64 1.37 1i48H1 LEU 328 HD13 -0.71 -0.03 -0.14 -0.04 0.93 0.01 1i48H1 LEU 328 HD23 -0.43 -0.03 -0.09 -0.04 0.89 0.31 1i48H1 GLU 329 H -0.04 0.69 0.16 -0.55 8.60 8.87 1i48H1 GLU 329 HA -0.02 -0.02 0.30 -0.75 4.29 3.80 1i48H1 GLU 329 HB2 -0.01 -0.11 0.05 -0.04 2.09 1.98 1i48H1 GLU 329 HB3 -0.03 0.05 0.19 -0.04 1.99 2.17 1i48H1 GLU 329 HG2 -0.05 -0.03 -0.15 -0.04 2.34 2.08 1i48H1 GLU 329 HG3 -0.06 0.08 -0.05 -0.04 2.34 2.27 1i48H1 ALA 330 H -0.03 0.62 -0.22 -0.55 8.40 8.23 1i48H1 ALA 330 HA -0.04 -0.02 0.39 -0.75 4.34 3.92 1i48H1 ALA 330 HB3 -0.03 -0.03 0.01 -0.04 1.41 1.32 1i48H1 HIS 331 H 0.05 0.31 -0.36 -0.55 8.41 7.86 1i48H1 HIS 331 HA -0.06 -0.04 0.43 -0.75 4.63 4.21 1i48H1 HIS 331 HB2 -0.10 0.11 0.20 -0.04 3.26 3.44 1i48H1 HIS 331 HB3 -0.11 0.03 0.08 -0.04 3.20 3.16 1i48H1 HIS 331 HD2 -0.07 -0.01 -0.00 -0.04 6.97 6.84 1i48H1 HIS 331 HE1 -0.06 0.03 0.05 -0.04 7.75 7.73 1i48H1 PRO 332 HA -0.03 0.18 0.52 -0.51 4.44 4.59 1i48H1 PRO 332 HB2 -0.06 -0.00 0.02 -0.04 2.28 2.20 1i48H1 PRO 332 HB3 -0.10 0.03 0.14 -0.04 2.02 2.05 1i48H1 PRO 332 HG2 -0.29 -0.07 0.16 -0.04 2.03 1.80 1i48H1 PRO 332 HG3 -0.25 0.03 0.12 -0.04 2.03 1.88 1i48H1 PRO 332 HD2 -1.46 0.05 0.25 -0.04 3.68 2.48 1i48H1 PRO 332 HD3 -0.35 0.19 0.24 -0.04 3.65 3.69 1i48H1 LYS 333 H 0.29 0.13 0.00 -0.55 8.42 8.29 1i48H1 LYS 333 HA 0.06 0.08 0.44 -0.75 4.32 4.14 1i48H1 LYS 333 HB2 0.27 0.03 0.11 -0.04 1.87 2.24 1i48H1 LYS 333 HB3 -0.03 -0.04 0.09 -0.04 1.79 1.77 1i48H1 LYS 333 HG2 0.03 -0.05 0.10 -0.04 1.46 1.49 1i48H1 LYS 333 HG3 0.05 0.00 0.07 -0.04 1.46 1.54 1i48H1 LYS 333 HD2 0.11 -0.05 0.06 -0.04 1.69 1.78 1i48H1 LYS 333 HD3 0.16 0.20 0.12 -0.04 1.68 2.12 1i48H1 LYS 333 HE2 0.03 -0.19 0.05 -0.04 2.99 2.84 1i48H1 LYS 333 HE3 0.03 0.01 0.03 -0.04 2.99 3.03 1i48H1 VAL 334 H 0.13 0.28 -0.98 -0.55 8.24 7.12 1i48H1 VAL 334 HA 0.03 -0.01 0.84 -0.75 4.13 4.23 1i48H1 VAL 334 HB 0.01 0.42 0.07 -0.04 2.12 2.58 1i48H1 VAL 334 HG13 0.03 -0.05 -0.40 -0.04 0.97 0.50 1i48H1 VAL 334 HG23 -0.26 -0.07 -0.13 -0.04 0.95 0.45 1i48H1 ARG 335 H 0.09 0.13 0.10 -0.55 8.46 8.22 1i48H1 ARG 335 HA 0.03 0.10 0.39 -0.75 4.34 4.11 1i48H1 ARG 335 HB2 0.07 -0.03 -0.16 -0.04 1.90 1.75 1i48H1 ARG 335 HB3 0.13 -0.12 -0.04 -0.04 1.80 1.73 1i48H1 ARG 335 HG2 0.07 -0.03 -0.13 -0.04 1.67 1.53 1i48H1 ARG 335 HG3 0.04 0.04 0.01 -0.04 1.67 1.72 1i48H1 ARG 335 HD2 0.08 -0.07 -0.06 -0.04 3.22 3.13 1i48H1 ARG 335 HD3 0.05 -0.03 -0.03 -0.04 3.22 3.17 1i48H1 HIS 336 H 0.20 0.28 0.14 -0.55 8.41 8.49 1i48H1 HIS 336 HA -0.04 0.26 0.76 -0.75 4.63 4.85 1i48H1 HIS 336 HB2 -0.01 0.01 -0.22 -0.04 3.26 3.01 1i48H1 HIS 336 HB3 0.03 -0.16 -0.03 -0.04 3.20 2.99 1i48H1 HIS 336 HD2 -0.11 -0.03 -0.02 -0.04 6.97 6.77 1i48H1 HIS 336 HE1 -0.35 0.07 0.01 -0.04 7.75 7.44 1i48H1 VAL 337 H 0.52 0.27 0.16 -0.55 8.24 8.63 1i48H1 VAL 337 HA 0.35 0.16 1.04 -0.75 4.13 4.92 1i48H1 VAL 337 HB 0.09 -0.05 0.02 -0.04 2.12 2.14 1i48H1 VAL 337 HG13 0.18 -0.00 -0.22 -0.04 0.97 0.88 1i48H1 VAL 337 HG23 0.07 0.02 -0.34 -0.04 0.95 0.66 1i48H1 TYR 338 H 0.48 1.19 0.42 -0.55 8.29 9.83 1i48H1 TYR 338 HA 0.17 0.11 0.92 -0.75 4.56 5.00 1i48H1 TYR 338 HB2 0.17 -0.04 0.15 -0.04 3.06 3.29 1i48H1 TYR 338 HB3 0.16 0.03 -0.04 -0.04 2.98 3.09 1i48H1 TYR 338 HD2 0.01 0.10 -0.22 -0.04 7.15 7.00 1i48H1 TYR 338 HE2 -0.26 -0.04 -0.13 -0.04 6.85 6.39 1i48H1 TYR 339 H 0.48 0.18 0.02 -0.55 8.29 8.42 1i48H1 TYR 339 HA 0.19 0.17 0.49 -0.75 4.56 4.66 1i48H1 TYR 339 HB2 0.17 0.24 -0.12 -0.04 3.06 3.31 1i48H1 TYR 339 HB3 0.08 -0.12 -0.01 -0.04 2.98 2.89 1i48H1 TYR 339 HD2 0.04 0.02 0.12 -0.04 7.15 7.29 1i48H1 TYR 339 HE2 0.09 0.02 -0.04 -0.04 6.85 6.88 1i48H1 PRO 340 HA -0.56 0.00 0.36 -0.51 4.44 3.72 1i48H1 PRO 340 HB2 0.23 0.09 0.02 -0.04 2.28 2.58 1i48H1 PRO 340 HB3 -0.18 -0.04 0.10 -0.04 2.02 1.86 1i48H1 PRO 340 HG2 -0.15 0.04 0.11 -0.04 2.03 1.99 1i48H1 PRO 340 HG3 -0.31 0.17 0.13 -0.04 2.03 1.98 1i48H1 PRO 340 HD2 -0.62 0.27 0.25 -0.04 3.68 3.53 1i48H1 PRO 340 HD3 -0.07 0.09 0.16 -0.04 3.65 3.79 1i48H1 GLY 341 H -0.88 0.01 -0.57 -0.55 8.43 6.44 1i48H1 GLY 341 HA2 -1.98 0.11 0.40 -0.51 4.01 2.03 1i48H1 GLY 341 HA3 -0.47 -0.02 0.23 -0.51 4.01 3.24 1i48H1 LEU 342 H 0.06 0.38 -0.08 -0.55 8.37 8.18 1i48H1 LEU 342 HA -0.13 0.10 0.58 -0.75 4.35 4.14 1i48H1 LEU 342 HB2 0.06 0.03 0.03 -0.04 1.64 1.72 1i48H1 LEU 342 HB3 -0.03 -0.11 0.10 -0.04 1.64 1.55 1i48H1 LEU 342 HG 0.21 -0.02 -0.01 -0.04 1.64 1.77 1i48H1 LEU 342 HD13 0.07 0.02 -0.15 -0.04 0.93 0.83 1i48H1 LEU 342 HD23 -0.01 0.00 -0.09 -0.04 0.89 0.75 1i48H1 GLN 343 H -0.25 0.14 0.18 -0.55 8.47 7.99 1i48H1 GLN 343 HA -0.98 0.15 0.50 -0.75 4.36 3.28 1i48H1 GLN 343 HB2 -0.14 0.00 0.02 -0.04 2.15 2.00 1i48H1 GLN 343 HB3 -0.15 0.02 0.08 -0.04 2.02 1.93 1i48H1 GLN 343 HG2 -0.33 0.05 0.07 -0.04 2.40 2.14 1i48H1 GLN 343 HG3 -0.13 -0.01 0.09 -0.04 2.39 2.30 1i48H1 GLN 343 HE21 0.01 -0.00 0.01 -0.04 6.97 6.94 1i48H1 GLN 343 HE22 -0.03 0.01 0.02 -0.04 7.69 7.65 1i48H1 SER 344 H -0.09 0.02 -0.08 -0.55 8.46 7.77 1i48H1 SER 344 HA -0.03 0.06 0.31 -0.75 4.49 4.08 1i48H1 SER 344 HB2 -0.01 0.06 -0.03 -0.04 3.95 3.93 1i48H1 SER 344 HB3 -0.08 0.04 0.11 -0.04 3.93 3.96 1i48H1 HIS 345 H 0.09 0.19 -0.96 -0.55 8.41 7.18 1i48H1 HIS 345 HA 0.07 0.09 0.52 -0.75 4.63 4.56 1i48H1 HIS 345 HB2 0.06 0.11 -0.08 -0.04 3.26 3.32 1i48H1 HIS 345 HB3 0.12 0.10 0.00 -0.04 3.20 3.38 1i48H1 HIS 345 HD2 0.13 -0.30 -0.28 -0.04 6.97 6.48 1i48H1 HIS 345 HE1 0.08 -0.24 0.04 -0.04 7.75 7.59 1i48H1 PRO 346 HA 0.12 0.13 0.43 -0.51 4.44 4.61 1i48H1 PRO 346 HB2 0.10 -0.14 0.17 -0.04 2.28 2.37 1i48H1 PRO 346 HB3 0.07 0.03 0.12 -0.04 2.02 2.19 1i48H1 PRO 346 HG2 -0.11 -0.01 0.12 -0.04 2.03 1.99 1i48H1 PRO 346 HG3 -0.03 0.11 0.15 -0.04 2.03 2.21 1i48H1 PRO 346 HD2 -0.80 0.04 0.21 -0.04 3.68 3.08 1i48H1 PRO 346 HD3 -0.15 0.35 0.33 -0.04 3.65 4.14 1i48H1 GLU 347 H 0.45 0.11 -0.05 -0.55 8.60 8.57 1i48H1 GLU 347 HA 0.12 0.17 0.71 -0.75 4.29 4.54 1i48H1 GLU 347 HB2 -0.03 -0.06 0.19 -0.04 2.09 2.15 1i48H1 GLU 347 HB3 0.01 0.07 0.13 -0.04 1.99 2.16 1i48H1 GLU 347 HG2 0.44 0.08 0.13 -0.04 2.34 2.94 1i48H1 GLU 347 HG3 0.15 -0.53 0.25 -0.04 2.34 2.18 1i48H1 HIS 348 H 0.39 0.66 -0.68 -0.55 8.41 8.23 1i48H1 HIS 348 HA -0.01 0.09 0.37 -0.75 4.63 4.32 1i48H1 HIS 348 HB2 0.12 0.13 0.19 -0.04 3.26 3.67 1i48H1 HIS 348 HB3 0.16 -0.00 0.17 -0.04 3.20 3.48 1i48H1 HIS 348 HD2 0.07 -0.06 -0.09 -0.04 6.97 6.84 1i48H1 HIS 348 HE1 -0.14 0.12 -0.09 -0.04 7.75 7.61 1i48H1 HIS 349 H 0.64 0.19 -0.17 -0.55 8.41 8.53 1i48H1 HIS 349 HA -0.12 0.12 0.42 -0.75 4.63 4.29 1i48H1 HIS 349 HB2 0.01 0.02 0.01 -0.04 3.26 3.26 1i48H1 HIS 349 HB3 0.04 0.05 0.10 -0.04 3.20 3.35 1i48H1 HIS 349 HD2 0.02 0.02 -0.04 -0.04 6.97 6.92 1i48H1 HIS 349 HE1 0.07 0.14 0.15 -0.04 7.75 8.07 1i48H1 ILE 350 H -0.74 0.12 -0.24 -0.55 8.25 6.84 1i48H1 ILE 350 HA -0.17 0.05 0.42 -0.75 4.18 3.73 1i48H1 ILE 350 HB -0.19 0.09 -0.00 -0.04 1.89 1.75 1i48H1 ILE 350 HG12 -0.38 0.01 0.02 -0.04 1.49 1.10 1i48H1 ILE 350 HG13 -1.05 -0.04 0.09 -0.04 1.21 0.17 1i48H1 ILE 350 HG23 -0.09 -0.02 -0.15 -0.04 0.93 0.63 1i48H1 ILE 350 HD13 -0.09 -0.02 0.01 -0.04 0.88 0.74 1i48H1 ALA 351 H -0.13 0.61 -0.07 -0.55 8.40 8.26 1i48H1 ALA 351 HA -0.06 -0.08 0.36 -0.75 4.34 3.80 1i48H1 ALA 351 HB3 0.08 0.05 0.10 -0.04 1.41 1.60 1i48H1 LYS 352 H -0.12 0.46 -0.22 -0.55 8.42 7.99 1i48H1 LYS 352 HA 0.02 0.09 0.41 -0.75 4.32 4.09 1i48H1 LYS 352 HB2 -0.07 0.06 0.13 -0.04 1.87 1.95 1i48H1 LYS 352 HB3 -0.01 -0.05 0.04 -0.04 1.79 1.73 1i48H1 LYS 352 HG2 -0.09 -0.02 0.01 -0.04 1.46 1.32 1i48H1 LYS 352 HG3 -0.57 0.43 0.11 -0.04 1.46 1.39 1i48H1 LYS 352 HD2 -0.32 -0.03 -0.07 -0.04 1.69 1.22 1i48H1 LYS 352 HD3 -0.08 -0.06 -0.01 -0.04 1.68 1.50 1i48H1 LYS 352 HE2 0.05 -0.01 -0.01 -0.04 2.99 2.98 1i48H1 LYS 352 HE3 0.10 0.03 -0.01 -0.04 2.99 3.07 1i48H1 LYS 353 H -0.06 0.35 -0.13 -0.55 8.42 8.03 1i48H1 LYS 353 HA -0.02 0.04 0.44 -0.75 4.32 4.03 1i48H1 LYS 353 HB2 -0.01 -0.07 0.10 -0.04 1.87 1.86 1i48H1 LYS 353 HB3 -0.02 0.10 0.18 -0.04 1.79 2.00 1i48H1 LYS 353 HG2 -0.06 0.19 0.22 -0.04 1.46 1.76 1i48H1 LYS 353 HG3 -0.03 -0.01 -0.30 -0.04 1.46 1.08 1i48H1 LYS 353 HD2 -0.01 0.00 -0.01 -0.04 1.69 1.63 1i48H1 LYS 353 HD3 -0.04 -0.14 0.00 -0.04 1.68 1.46 1i48H1 LYS 353 HE2 -0.01 -0.01 -0.06 -0.04 2.99 2.86 1i48H1 LYS 353 HE3 -0.00 0.05 -0.02 -0.04 2.99 2.99 1i48H1 GLN 354 H -0.07 0.40 -0.12 -0.55 8.47 8.13 1i48H1 GLN 354 HA -0.04 0.21 1.04 -0.75 4.36 4.81 1i48H1 GLN 354 HB2 -0.04 -0.12 0.05 -0.04 2.15 2.00 1i48H1 GLN 354 HB3 -0.03 -0.09 -0.01 -0.04 2.02 1.84 1i48H1 GLN 354 HG2 -0.07 0.47 0.05 -0.04 2.40 2.82 1i48H1 GLN 354 HG3 -0.07 0.03 -0.09 -0.04 2.39 2.22 1i48H1 GLN 354 HE21 -0.02 0.30 -0.01 -0.04 6.97 7.20 1i48H1 GLN 354 HE22 -0.04 0.02 -0.15 -0.04 7.69 7.47 1i48H1 MET 355 H -0.12 0.56 0.14 -0.55 8.47 8.51 1i48H1 MET 355 HA -0.14 0.23 1.07 -0.75 4.52 4.93 1i48H1 MET 355 HB2 -0.32 0.29 0.26 -0.04 2.15 2.34 1i48H1 MET 355 HB3 -0.44 0.06 0.27 -0.04 2.03 1.88 1i48H1 MET 355 HG2 -0.13 0.02 0.02 -0.04 2.63 2.50 1i48H1 MET 355 HG3 -0.11 -0.16 -0.04 -0.04 2.56 2.21 1i48H1 MET 355 HE3 -0.05 -0.04 -0.11 -0.04 2.10 1.86 1i48H1 THR 356 H -0.20 0.34 0.37 -0.55 8.28 8.24 1i48H1 THR 356 HA -0.15 0.22 0.88 -0.75 4.39 4.58 1i48H1 THR 356 HB -0.07 -0.04 0.13 -0.04 4.32 4.31 1i48H1 THR 356 HG23 -0.08 0.04 -0.12 -0.04 1.22 1.02 1i48H1 GLY 357 H -0.40 0.19 0.27 -0.55 8.43 7.94 1i48H1 GLY 357 HA2 -0.25 0.18 0.66 -0.51 4.01 4.10 1i48H1 GLY 357 HA3 -0.17 -0.04 0.36 -0.51 4.01 3.65 1i48H1 PHE 358 H 0.11 0.19 0.20 -0.55 8.34 8.28 1i48H1 PHE 358 HA -0.13 0.17 0.82 -0.75 4.62 4.73 1i48H1 PHE 358 HB2 -0.12 0.08 0.08 -0.04 3.15 3.15 1i48H1 PHE 358 HB3 -0.75 -0.12 0.17 -0.04 3.06 2.32 1i48H1 PHE 358 HD2 -0.08 -0.06 -0.16 -0.04 7.28 6.93 1i48H1 PHE 358 HE2 -0.05 -0.01 -0.22 -0.04 7.38 7.05 1i48H1 PHE 358 HZ -0.04 0.03 -0.17 -0.04 7.32 7.10 1i48H1 GLY 359 H 0.03 0.01 0.13 -0.55 8.43 8.06 1i48H1 GLY 359 HA2 0.01 0.10 0.43 -0.51 4.01 4.03 1i48H1 GLY 359 HA3 0.20 0.08 0.53 -0.51 4.01 4.30 1i48H1 GLY 360 H 0.45 0.11 0.17 -0.55 8.43 8.61 1i48H1 GLY 360 HA2 0.39 0.29 0.77 -0.51 4.01 4.95 1i48H1 GLY 360 HA3 0.43 0.07 0.30 -0.51 4.01 4.29 1i48H1 ALA 361 H 0.44 0.13 0.04 -0.55 8.40 8.46 1i48H1 ALA 361 HA 0.24 0.25 1.03 -0.75 4.34 5.12 1i48H1 ALA 361 HB3 0.18 -0.03 0.02 -0.04 1.41 1.54 1i48H1 VAL 362 H 0.14 0.52 0.31 -0.55 8.24 8.67 1i48H1 VAL 362 HA 0.35 0.21 0.98 -0.75 4.13 4.92 1i48H1 VAL 362 HB 0.31 -0.00 0.10 -0.04 2.12 2.49 1i48H1 VAL 362 HG13 0.33 0.02 -0.17 -0.04 0.97 1.12 1i48H1 VAL 362 HG23 0.14 0.00 -0.27 -0.04 0.95 0.78 1i48H1 SER 363 H 0.29 0.40 0.31 -0.55 8.46 8.92 1i48H1 SER 363 HA 0.03 0.36 1.18 -0.75 4.49 5.31 1i48H1 SER 363 HB2 0.06 0.01 0.19 -0.04 3.95 4.18 1i48H1 SER 363 HB3 -0.06 -0.09 0.00 -0.04 3.93 3.74 1i48H1 PHE 364 H -0.23 0.53 0.40 -0.55 8.34 8.49 1i48H1 PHE 364 HA 0.36 -0.02 0.59 -0.75 4.62 4.79 1i48H1 PHE 364 HB2 0.13 0.29 0.15 -0.04 3.15 3.67 1i48H1 PHE 364 HB3 0.17 -0.01 -0.07 -0.04 3.06 3.11 1i48H1 PHE 364 HD2 0.11 0.01 -0.46 -0.04 7.28 6.90 1i48H1 PHE 364 HE2 0.12 -0.01 -0.13 -0.04 7.38 7.32 1i48H1 PHE 364 HZ 0.62 -0.01 -0.11 -0.04 7.32 7.77 1i48H1 GLU 365 H 0.36 0.43 0.22 -0.55 8.60 9.06 1i48H1 GLU 365 HA 0.12 0.15 0.54 -0.75 4.29 4.34 1i48H1 GLU 365 HB2 0.19 -0.02 0.01 -0.04 2.09 2.22 1i48H1 GLU 365 HB3 0.15 -0.06 -0.03 -0.04 1.99 2.01 1i48H1 GLU 365 HG2 0.34 -0.08 -0.14 -0.04 2.34 2.43 1i48H1 GLU 365 HG3 0.33 0.02 0.00 -0.04 2.34 2.65 1i48H1 VAL 366 H 0.12 0.31 0.16 -0.55 8.24 8.28 1i48H1 VAL 366 HA 0.11 0.21 0.84 -0.75 4.13 4.53 1i48H1 VAL 366 HB 0.09 -0.06 0.10 -0.04 2.12 2.20 1i48H1 VAL 366 HG13 -0.04 0.02 -0.15 -0.04 0.97 0.76 1i48H1 VAL 366 HG23 0.13 0.04 -0.03 -0.04 0.95 1.05 1i48H1 ASP 367 H 0.03 0.99 0.35 -0.55 8.40 9.22 1i48H1 ASP 367 HA 0.05 0.01 0.53 -0.75 4.63 4.47 1i48H1 ASP 367 HB2 0.04 0.08 -0.02 -0.04 2.71 2.77 1i48H1 ASP 367 HB3 0.03 -0.03 0.28 -0.04 2.70 2.95 1i48H1 GLY 368 H 0.05 0.61 0.22 -0.55 8.43 8.77 1i48H1 GLY 368 HA2 0.04 0.09 0.46 -0.51 4.01 4.09 1i48H1 GLY 368 HA3 0.04 -0.00 0.28 -0.51 4.01 3.82 1i48H1 ASP 369 H 0.05 0.09 0.17 -0.55 8.40 8.16 1i48H1 ASP 369 HA 0.05 0.26 0.92 -0.75 4.63 5.12 1i48H1 ASP 369 HB2 0.05 -0.03 0.17 -0.04 2.71 2.86 1i48H1 ASP 369 HB3 0.04 0.11 0.02 -0.04 2.70 2.83 1i48H1 LEU 370 H 0.07 0.14 0.13 -0.55 8.37 8.17 1i48H1 LEU 370 HA 0.06 0.28 0.40 -0.75 4.35 4.34 1i48H1 LEU 370 HB2 0.11 -0.01 0.21 -0.04 1.64 1.90 1i48H1 LEU 370 HB3 0.09 -0.11 0.19 -0.04 1.64 1.77 1i48H1 LEU 370 HG 0.23 0.02 0.04 -0.04 1.64 1.89 1i48H1 LEU 370 HD13 0.02 0.02 -0.17 -0.04 0.93 0.75 1i48H1 LEU 370 HD23 0.07 -0.01 0.06 -0.04 0.89 0.98 1i48H1 LEU 371 H 0.05 0.07 -0.07 -0.55 8.37 7.87 1i48H1 LEU 371 HA 0.01 0.08 0.38 -0.75 4.35 4.07 1i48H1 LEU 371 HB2 0.04 -0.07 0.11 -0.04 1.64 1.67 1i48H1 LEU 371 HB3 0.03 0.08 -0.06 -0.04 1.64 1.65 1i48H1 LEU 371 HG 0.03 0.04 0.02 -0.04 1.64 1.68 1i48H1 LEU 371 HD13 0.00 0.02 0.03 -0.04 0.93 0.94 1i48H1 LEU 371 HD23 0.03 -0.00 0.02 -0.04 0.89 0.90 1i48H1 THR 372 H 0.04 -0.03 -0.23 -0.55 8.28 7.52 1i48H1 THR 372 HA 0.05 0.09 0.40 -0.75 4.39 4.17 1i48H1 THR 372 HB 0.05 -0.16 0.24 -0.04 4.32 4.41 1i48H1 THR 372 HG23 0.05 0.05 -0.16 -0.04 1.22 1.13 1i48H1 THR 373 H 0.07 0.67 -0.05 -0.55 8.28 8.42 1i48H1 THR 373 HA 0.16 -0.00 0.32 -0.75 4.39 4.12 1i48H1 THR 373 HB 0.06 0.11 0.15 -0.04 4.32 4.60 1i48H1 THR 373 HG23 0.11 0.00 -0.05 -0.04 1.22 1.24 1i48H1 ALA 374 H 0.04 0.51 -0.17 -0.55 8.40 8.23 1i48H1 ALA 374 HA -0.02 -0.05 0.38 -0.75 4.34 3.90 1i48H1 ALA 374 HB3 -0.03 0.03 0.11 -0.04 1.41 1.47 1i48H1 LYS 375 H 0.04 0.52 -0.08 -0.55 8.42 8.35 1i48H1 LYS 375 HA 0.02 -0.05 0.33 -0.75 4.32 3.87 1i48H1 LYS 375 HB2 0.05 0.02 0.23 -0.04 1.87 2.14 1i48H1 LYS 375 HB3 0.08 0.04 -0.03 -0.04 1.79 1.83 1i48H1 LYS 375 HG2 0.03 -0.01 0.07 -0.04 1.46 1.50 1i48H1 LYS 375 HG3 0.03 -0.08 0.04 -0.04 1.46 1.40 1i48H1 LYS 375 HD2 0.04 -0.04 -0.00 -0.04 1.69 1.65 1i48H1 LYS 375 HD3 0.05 0.09 -0.03 -0.04 1.68 1.75 1i48H1 LYS 375 HE2 0.03 0.07 0.04 -0.04 2.99 3.09 1i48H1 LYS 375 HE3 0.02 -0.05 0.02 -0.04 2.99 2.94 1i48H1 PHE 376 H 0.21 0.38 -0.42 -0.55 8.34 7.96 1i48H1 PHE 376 HA 0.03 0.13 0.46 -0.75 4.62 4.49 1i48H1 PHE 376 HB2 0.05 -0.09 0.09 -0.04 3.15 3.17 1i48H1 PHE 376 HB3 0.05 0.30 0.28 -0.04 3.06 3.65 1i48H1 PHE 376 HD2 0.08 0.23 0.02 -0.04 7.28 7.57 1i48H1 PHE 376 HE2 0.30 0.02 -0.14 -0.04 7.38 7.52 1i48H1 PHE 376 HZ 0.31 -0.06 -0.11 -0.04 7.32 7.42 1i48H1 VAL 377 H -0.10 0.38 0.11 -0.55 8.24 8.07 1i48H1 VAL 377 HA -0.67 -0.03 0.34 -0.75 4.13 3.01 1i48H1 VAL 377 HB -0.25 -0.08 -0.00 -0.04 2.12 1.75 1i48H1 VAL 377 HG13 -0.11 0.05 0.03 -0.04 0.97 0.90 1i48H1 VAL 377 HG23 -0.12 0.06 -0.11 -0.04 0.95 0.73 1i48H1 ASP 378 H -0.08 0.66 -0.32 -0.55 8.40 8.10 1i48H1 ASP 378 HA -0.09 -0.03 0.36 -0.75 4.63 4.11 1i48H1 ASP 378 HB2 -0.03 0.10 0.05 -0.04 2.71 2.80 1i48H1 ASP 378 HB3 -0.03 -0.04 -0.02 -0.04 2.70 2.56 1i48H1 ALA 379 H -0.06 0.54 -0.31 -0.55 8.40 8.02 1i48H1 ALA 379 HA -0.01 -0.04 0.54 -0.75 4.34 4.08 1i48H1 ALA 379 HB3 0.06 0.01 0.20 -0.04 1.41 1.65 1i48H1 LEU 380 H -0.17 0.26 -0.07 -0.55 8.37 7.84 1i48H1 LEU 380 HA -0.02 -0.08 0.32 -0.75 4.35 3.81 1i48H1 LEU 380 HB2 -0.19 0.24 0.04 -0.04 1.64 1.69 1i48H1 LEU 380 HB3 -0.08 -0.20 0.01 -0.04 1.64 1.33 1i48H1 LEU 380 HG -0.45 0.15 0.02 -0.04 1.64 1.32 1i48H1 LEU 380 HD13 -0.39 -0.02 -0.03 -0.04 0.93 0.44 1i48H1 LEU 380 HD23 0.14 -0.02 -0.09 -0.04 0.89 0.88 1i48H1 LYS 381 H -0.02 -0.11 0.20 -0.55 8.42 7.93 1i48H1 LYS 381 HA -0.08 0.33 0.97 -0.75 4.32 4.78 1i48H1 LYS 381 HB2 -0.03 -0.10 0.03 -0.04 1.87 1.73 1i48H1 LYS 381 HB3 -0.04 -0.04 0.12 -0.04 1.79 1.79 1i48H1 LYS 381 HG2 -0.03 0.38 -0.41 -0.04 1.46 1.36 1i48H1 LYS 381 HG3 -0.01 -0.09 -0.01 -0.04 1.46 1.31 1i48H1 LYS 381 HD2 -0.02 -0.10 0.02 -0.04 1.69 1.54 1i48H1 LYS 381 HD3 -0.03 0.10 -0.01 -0.04 1.68 1.70 1i48H1 LYS 381 HE2 -0.01 -0.03 0.00 -0.04 2.99 2.91 1i48H1 LYS 381 HE3 -0.00 0.06 -0.01 -0.04 2.99 3.00 1i48H1 ILE 382 H -0.03 -0.06 0.12 -0.55 8.25 7.72 1i48H1 ILE 382 HA -0.11 0.22 0.93 -0.75 4.18 4.48 1i48H1 ILE 382 HB 0.05 -0.00 0.14 -0.04 1.89 2.03 1i48H1 ILE 382 HG12 -0.01 0.01 -0.04 -0.04 1.49 1.40 1i48H1 ILE 382 HG13 -0.01 -0.05 -0.14 -0.04 1.21 0.96 1i48H1 ILE 382 HG23 0.03 -0.03 -0.13 -0.04 0.93 0.76 1i48H1 ILE 382 HD13 0.02 -0.02 -0.08 -0.04 0.88 0.76 1i48H1 PRO 383 HA -0.07 0.22 0.43 -0.51 4.44 4.51 1i48H1 PRO 383 HB2 -0.37 0.04 -0.37 -0.04 2.28 1.53 1i48H1 PRO 383 HB3 -0.24 -0.10 -0.27 -0.04 2.02 1.36 1i48H1 PRO 383 HG2 -0.24 0.11 -0.11 -0.04 2.03 1.75 1i48H1 PRO 383 HG3 -0.19 0.03 -0.08 -0.04 2.03 1.75 1i48H1 PRO 383 HD2 -0.03 -0.13 0.12 -0.04 3.68 3.59 1i48H1 PRO 383 HD3 0.12 0.07 0.12 -0.04 3.65 3.91 1i48H1 TYR 384 H 0.10 0.58 0.36 -0.55 8.29 8.79 1i48H1 TYR 384 HA -0.08 0.14 0.64 -0.75 4.56 4.51 1i48H1 TYR 384 HB2 -0.06 0.01 0.11 -0.04 3.06 3.07 1i48H1 TYR 384 HB3 -0.06 0.00 -0.08 -0.04 2.98 2.81 1i48H1 TYR 384 HD2 -0.04 0.03 0.02 -0.04 7.15 7.12 1i48H1 TYR 384 HE2 -0.02 -0.05 -0.00 -0.04 6.85 6.74 1i48H1 ILE 385 H 0.02 0.17 0.11 -0.55 8.25 8.00 1i48H1 ILE 385 HA -0.09 0.28 0.77 -0.75 4.18 4.39 1i48H1 ILE 385 HB -0.04 -0.04 0.21 -0.04 1.89 1.97 1i48H1 ILE 385 HG12 -0.13 0.01 -0.13 -0.04 1.49 1.20 1i48H1 ILE 385 HG13 -0.09 0.04 0.00 -0.04 1.21 1.12 1i48H1 ILE 385 HG23 -0.08 -0.03 -0.08 -0.04 0.93 0.71 1i48H1 ILE 385 HD13 -0.09 0.01 -0.07 -0.04 0.88 0.69 1i48H1 ALA 386 H -0.04 0.59 0.37 -0.55 8.40 8.77 1i48H1 ALA 386 HA -0.03 -0.02 0.43 -0.75 4.34 3.97 1i48H1 ALA 386 HB3 -0.03 0.03 -0.09 -0.04 1.41 1.28 1i48H1 PRO 387 HA 0.04 0.06 0.42 -0.51 4.44 4.45 1i48H1 PRO 387 HB2 0.02 -0.06 0.11 -0.04 2.28 2.31 1i48H1 PRO 387 HB3 0.03 -0.03 0.11 -0.04 2.02 2.09 1i48H1 PRO 387 HG2 -0.01 0.02 0.05 -0.04 2.03 2.06 1i48H1 PRO 387 HG3 -0.01 0.08 0.06 -0.04 2.03 2.11 1i48H1 PRO 387 HD2 -0.03 0.11 0.08 -0.04 3.68 3.81 1i48H1 PRO 387 HD3 -0.02 0.14 0.19 -0.04 3.65 3.93 1i48H1 SER 388 H 0.07 -0.05 0.07 -0.55 8.46 8.01 1i48H1 SER 388 HA -0.17 -0.11 0.32 -0.75 4.49 3.78 1i48H1 SER 388 HB2 -0.10 -0.07 -0.14 -0.04 3.95 3.60 1i48H1 SER 388 HB3 -0.09 0.25 -0.19 -0.04 3.93 3.86 1i48H1 PHE 389 H -0.56 0.23 0.18 -0.55 8.34 7.64 1i48H1 PHE 389 HA -0.11 0.21 0.41 -0.75 4.62 4.37 1i48H1 PHE 389 HB2 -0.07 -0.02 0.05 -0.04 3.15 3.07 1i48H1 PHE 389 HB3 -0.04 0.26 -0.13 -0.04 3.06 3.12 1i48H1 PHE 389 HD2 -0.27 0.09 -0.43 -0.04 7.28 6.63 1i48H1 PHE 389 HE2 -0.35 -0.02 -0.15 -0.04 7.38 6.82 1i48H1 PHE 389 HZ -1.05 -0.09 -0.10 -0.04 7.32 6.04 1i48H1 GLY 390 H 0.01 0.29 0.03 -0.55 8.43 8.21 1i48H1 GLY 390 HA2 -0.69 0.05 0.21 -0.51 4.01 3.07 1i48H1 GLY 390 HA3 -1.03 -0.04 0.38 -0.51 4.01 2.81 1i48H1 GLY 391 H -0.10 -0.01 -0.31 -0.55 8.43 7.47 1i48H1 GLY 391 HA2 -0.07 0.10 0.32 -0.51 4.01 3.85 1i48H1 GLY 391 HA3 -0.07 -0.05 0.06 -0.51 4.01 3.44 1i48H1 CYS 392 H -0.14 0.47 0.18 -0.55 8.50 8.46 1i48H1 CYS 392 HA 0.01 0.04 0.34 -0.75 4.58 4.22 1i48H1 CYS 392 HB2 -0.12 -0.02 0.14 -0.04 2.97 2.93 1i48H1 CYS 392 HB3 -0.03 -0.08 0.03 -0.04 2.97 2.84 1i48H1 GLU 393 H 0.00 0.02 -0.42 -0.55 8.60 7.66 1i48H1 GLU 393 HA 0.10 0.01 0.61 -0.75 4.29 4.26 1i48H1 GLU 393 HB2 0.05 -0.03 -0.04 -0.04 2.09 2.03 1i48H1 GLU 393 HB3 0.27 0.12 0.01 -0.04 1.99 2.35 1i48H1 GLU 393 HG2 0.16 0.06 -0.01 -0.04 2.34 2.50 1i48H1 GLU 393 HG3 0.10 -0.03 -0.06 -0.04 2.34 2.32 1i48H1 SER 394 H 0.12 0.06 0.18 -0.55 8.46 8.28 1i48H1 SER 394 HA 0.14 0.33 0.63 -0.75 4.49 4.84 1i48H1 SER 394 HB2 0.13 -0.01 0.07 -0.04 3.95 4.09 1i48H1 SER 394 HB3 0.15 0.09 0.02 -0.04 3.93 4.15 1i48H1 ILE 395 H -0.06 0.59 0.38 -0.55 8.25 8.61 1i48H1 ILE 395 HA -0.09 0.17 1.00 -0.75 4.18 4.51 1i48H1 ILE 395 HB -0.01 -0.13 0.10 -0.04 1.89 1.81 1i48H1 ILE 395 HG12 0.04 0.01 -0.17 -0.04 1.49 1.33 1i48H1 ILE 395 HG13 0.04 -0.02 -0.76 -0.04 1.21 0.43 1i48H1 ILE 395 HG23 -0.03 0.11 0.08 -0.04 0.93 1.05 1i48H1 ILE 395 HD13 -0.02 -0.02 -0.20 -0.04 0.88 0.60 1i48H1 VAL 396 H -0.19 0.70 0.35 -0.55 8.24 8.55 1i48H1 VAL 396 HA -0.35 0.27 1.06 -0.75 4.13 4.36 1i48H1 VAL 396 HB -0.29 -0.03 -0.03 -0.04 2.12 1.72 1i48H1 VAL 396 HG13 -0.86 0.03 0.01 -0.04 0.97 0.12 1i48H1 VAL 396 HG23 -0.37 -0.02 -0.28 -0.04 0.95 0.24 1i48H1 ASP 397 H -0.15 0.48 0.38 -0.55 8.40 8.56 1i48H1 ASP 397 HA -0.09 0.08 0.47 -0.75 4.63 4.33 1i48H1 ASP 397 HB2 -0.04 -0.09 0.02 -0.04 2.71 2.56 1i48H1 ASP 397 HB3 -0.05 0.32 -0.39 -0.04 2.70 2.54 1i48H1 GLN 398 H -0.06 0.15 0.06 -0.55 8.47 8.07 1i48H1 GLN 398 HA -0.05 0.40 0.97 -0.75 4.36 4.93 1i48H1 GLN 398 HB2 -0.06 0.04 0.09 -0.04 2.15 2.18 1i48H1 GLN 398 HB3 -0.04 -0.23 0.24 -0.04 2.02 1.95 1i48H1 GLN 398 HG2 -0.00 0.06 0.01 -0.04 2.40 2.43 1i48H1 GLN 398 HG3 -0.02 0.14 0.02 -0.04 2.39 2.48 1i48H1 GLN 398 HE21 0.01 0.09 0.11 -0.04 6.97 7.15 1i48H1 GLN 398 HE22 0.03 0.28 0.08 -0.04 7.69 8.04 1i48H1 PRO 399 HA 0.11 -0.02 0.23 -0.51 4.44 4.25 1i48H1 PRO 399 HB2 -0.06 0.05 -0.10 -0.04 2.28 2.13 1i48H1 PRO 399 HB3 0.04 0.03 -0.06 -0.04 2.02 1.99 1i48H1 PRO 399 HG2 -0.10 0.08 -0.13 -0.04 2.03 1.83 1i48H1 PRO 399 HG3 -0.07 0.03 -0.06 -0.04 2.03 1.88 1i48H1 PRO 399 HD2 -0.06 0.37 0.15 -0.04 3.68 4.09 1i48H1 PRO 399 HD3 -0.04 0.11 -0.27 -0.04 3.65 3.41 1i48H1 ALA 400 H 0.04 0.23 -0.44 -0.55 8.40 7.69 1i48H1 ALA 400 HA 0.16 0.04 0.13 -0.75 4.34 3.92 1i48H1 ALA 400 HB3 0.14 0.04 -0.17 -0.04 1.41 1.38 1i48H1 ILE 401 H 0.08 0.73 -0.17 -0.55 8.25 8.35 1i48H1 ILE 401 HA 0.28 0.13 0.85 -0.75 4.18 4.67 1i48H1 ILE 401 HB -0.13 -0.02 0.14 -0.04 1.89 1.84 1i48H1 ILE 401 HG12 -0.85 0.02 -0.03 -0.04 1.49 0.59 1i48H1 ILE 401 HG13 -0.05 -0.12 -0.14 -0.04 1.21 0.86 1i48H1 ILE 401 HG23 -0.52 0.01 -0.09 -0.04 0.93 0.29 1i48H1 ILE 401 HD13 -0.21 0.01 0.01 -0.04 0.88 0.65 1i48H1 MET 402 H 0.01 0.41 -0.04 -0.55 8.47 8.30 1i48H1 MET 402 HA -0.02 0.08 0.27 -0.75 4.52 4.10 1i48H1 MET 402 HB2 -0.01 -0.16 -0.18 -0.04 2.15 1.75 1i48H1 MET 402 HB3 0.04 -0.05 -0.19 -0.04 2.03 1.79 1i48H1 MET 402 HG2 -0.01 0.05 -0.17 -0.04 2.63 2.46 1i48H1 MET 402 HG3 0.00 -0.04 -0.17 -0.04 2.56 2.31 1i48H1 MET 402 HE3 -0.04 0.02 -0.12 -0.04 2.10 1.92 1i48H1 SER 403 H 0.14 0.48 -0.28 -0.55 8.46 8.26 1i48H1 SER 403 HA -0.05 0.17 0.63 -0.75 4.49 4.49 1i48H1 SER 403 HB2 -0.35 -0.06 0.13 -0.04 3.95 3.63 1i48H1 SER 403 HB3 -0.14 0.05 0.06 -0.04 3.93 3.86 1i48H1 TYR 404 H 0.24 0.18 -0.11 -0.55 8.29 8.05 1i48H1 TYR 404 HA 0.06 0.12 0.73 -0.75 4.56 4.73 1i48H1 TYR 404 HB2 0.10 0.08 -0.17 -0.04 3.06 3.03 1i48H1 TYR 404 HB3 0.09 -0.03 0.05 -0.04 2.98 3.05 1i48H1 TYR 404 HD2 0.06 0.00 -0.21 -0.04 7.15 6.96 1i48H1 TYR 404 HE2 -0.08 -0.03 -0.06 -0.04 6.85 6.64 1i48H1 TRP 405 H 0.35 0.11 0.12 -0.55 7.97 8.00 1i48H1 TRP 405 HA 0.05 0.14 0.52 -0.75 4.62 4.58 1i48H1 TRP 405 HB2 0.03 0.06 0.35 -0.04 3.23 3.63 1i48H1 TRP 405 HB3 0.01 -0.01 0.06 -0.04 3.23 3.24 1i48H1 TRP 405 HD1 0.01 0.00 -0.06 -0.04 7.22 7.13 1i48H1 TRP 405 HE1 0.01 -0.01 0.00 -0.04 10.20 10.16 1i48H1 TRP 405 HE3 0.04 0.19 -0.08 -0.04 7.59 7.70 1i48H1 TRP 405 HZ2 0.01 -0.01 0.01 -0.04 7.44 7.42 1i48H1 TRP 405 HZ3 0.02 -0.08 -0.05 -0.04 7.13 6.99 1i48H1 TRP 405 HH2 0.02 -0.05 0.01 -0.04 7.19 7.12 1i48H1 ASP 406 H 0.11 -0.01 -0.52 -0.55 8.40 7.43 1i48H1 ASP 406 HA -0.05 0.08 0.38 -0.75 4.63 4.29 1i48H1 ASP 406 HB2 -0.01 0.01 0.03 -0.04 2.71 2.70 1i48H1 ASP 406 HB3 0.03 -0.02 -0.01 -0.04 2.70 2.65 1i48H1 LEU 407 H 0.01 0.56 -0.45 -0.55 8.37 7.95 1i48H1 LEU 407 HA -0.03 0.13 0.80 -0.75 4.35 4.49 1i48H1 LEU 407 HB2 0.12 0.17 0.01 -0.04 1.64 1.90 1i48H1 LEU 407 HB3 0.05 -0.17 0.02 -0.04 1.64 1.51 1i48H1 LEU 407 HG 0.15 -0.02 -0.06 -0.04 1.64 1.67 1i48H1 LEU 407 HD13 0.27 -0.01 -0.09 -0.04 0.93 1.06 1i48H1 LEU 407 HD23 0.04 -0.00 -0.25 -0.04 0.89 0.64 1i48H1 SER 408 H -0.05 0.06 0.15 -0.55 8.46 8.07 1i48H1 SER 408 HA -0.16 0.24 0.66 -0.75 4.49 4.49 1i48H1 SER 408 HB2 -0.07 -0.02 0.14 -0.04 3.95 3.95 1i48H1 SER 408 HB3 -0.07 0.16 0.12 -0.04 3.93 4.10 1i48H1 GLN 409 H -0.11 0.23 0.19 -0.55 8.47 8.23 1i48H1 GLN 409 HA -0.03 0.10 0.35 -0.75 4.36 4.03 1i48H1 GLN 409 HB2 -0.04 0.06 0.17 -0.04 2.15 2.29 1i48H1 GLN 409 HB3 -0.04 -0.03 0.15 -0.04 2.02 2.06 1i48H1 GLN 409 HG2 -0.01 0.02 -0.02 -0.04 2.40 2.36 1i48H1 GLN 409 HG3 -0.01 0.02 -0.26 -0.04 2.39 2.11 1i48H1 GLN 409 HE21 0.05 -0.09 0.10 -0.04 6.97 6.98 1i48H1 GLN 409 HE22 0.02 0.02 0.12 -0.04 7.69 7.81 1i48H1 SER 410 H -0.05 -0.01 -0.48 -0.55 8.46 7.37 1i48H1 SER 410 HA -0.03 0.13 0.48 -0.75 4.49 4.31 1i48H1 SER 410 HB2 -0.04 0.00 0.07 -0.04 3.95 3.94 1i48H1 SER 410 HB3 -0.03 0.08 0.04 -0.04 3.93 3.98 1i48H1 ASP 411 H -0.05 0.03 0.04 -0.55 8.40 7.87 1i48H1 ASP 411 HA -0.11 0.07 0.36 -0.75 4.63 4.19 1i48H1 ASP 411 HB2 -0.02 -0.13 0.17 -0.04 2.71 2.69 1i48H1 ASP 411 HB3 -0.03 0.07 0.06 -0.04 2.70 2.76 1i48H1 ARG 412 H -0.03 0.63 -0.57 -0.55 8.46 7.95 1i48H1 ARG 412 HA 0.06 0.00 0.35 -0.75 4.34 4.00 1i48H1 ARG 412 HB2 -0.00 0.09 -0.01 -0.04 1.90 1.94 1i48H1 ARG 412 HB3 0.01 0.16 -0.05 -0.04 1.80 1.88 1i48H1 ARG 412 HG2 0.13 -0.07 -0.06 -0.04 1.67 1.63 1i48H1 ARG 412 HG3 0.03 0.06 -0.35 -0.04 1.67 1.37 1i48H1 ARG 412 HD2 0.07 -0.04 -0.14 -0.04 3.22 3.07 1i48H1 ARG 412 HD3 0.20 0.15 -0.13 -0.04 3.22 3.40 1i48H1 ALA 413 H -0.04 0.45 -0.07 -0.55 8.40 8.20 1i48H1 ALA 413 HA -0.01 -0.04 0.28 -0.75 4.34 3.81 1i48H1 ALA 413 HB3 -0.02 0.04 0.11 -0.04 1.41 1.49 1i48H1 LYS 414 H -0.16 0.32 -0.66 -0.55 8.42 7.36 1i48H1 LYS 414 HA -0.15 0.01 0.33 -0.75 4.32 3.75 1i48H1 LYS 414 HB2 -0.25 -0.10 0.12 -0.04 1.87 1.60 1i48H1 LYS 414 HB3 -0.75 0.19 0.08 -0.04 1.79 1.27 1i48H1 LYS 414 HG2 -0.38 -0.01 0.03 -0.04 1.46 1.07 1i48H1 LYS 414 HG3 -0.17 -0.04 0.07 -0.04 1.46 1.28 1i48H1 LYS 414 HD2 -0.14 -0.05 0.02 -0.04 1.69 1.48 1i48H1 LYS 414 HD3 -0.35 0.03 0.03 -0.04 1.68 1.35 1i48H1 LYS 414 HE2 -0.10 0.01 -0.02 -0.04 2.99 2.84 1i48H1 LYS 414 HE3 -0.06 -0.01 0.01 -0.04 2.99 2.89 1i48H1 TYR 415 H -0.09 0.40 -0.46 -0.55 8.29 7.59 1i48H1 TYR 415 HA 0.04 0.19 0.88 -0.75 4.56 4.92 1i48H1 TYR 415 HB2 -0.10 0.00 0.06 -0.04 3.06 2.98 1i48H1 TYR 415 HB3 0.01 -0.06 0.13 -0.04 2.98 3.03 1i48H1 TYR 415 HD2 0.07 0.02 -0.02 -0.04 7.15 7.17 1i48H1 TYR 415 HE2 0.10 -0.01 -0.05 -0.04 6.85 6.85 1i48H1 GLY 416 H 0.04 0.45 -0.15 -0.55 8.43 8.21 1i48H1 GLY 416 HA2 0.05 0.05 0.30 -0.51 4.01 3.90 1i48H1 GLY 416 HA3 0.16 0.10 0.60 -0.51 4.01 4.35 1i48H1 ILE 417 H 0.02 0.19 -0.35 -0.55 8.25 7.56 1i48H1 ILE 417 HA -0.06 0.00 0.38 -0.75 4.18 3.75 1i48H1 ILE 417 HB -0.19 0.05 0.05 -0.04 1.89 1.75 1i48H1 ILE 417 HG12 -0.18 0.02 -0.08 -0.04 1.49 1.21 1i48H1 ILE 417 HG13 -1.28 0.00 -0.07 -0.04 1.21 -0.18 1i48H1 ILE 417 HG23 -0.27 -0.01 -0.28 -0.04 0.93 0.33 1i48H1 ILE 417 HD13 -0.35 -0.01 -0.14 -0.04 0.88 0.34 1i48H1 MET 418 H 0.04 0.18 0.30 -0.55 8.47 8.44 1i48H1 MET 418 HA 0.04 0.22 0.76 -0.75 4.52 4.78 1i48H1 MET 418 HB2 0.07 -0.14 0.19 -0.04 2.15 2.23 1i48H1 MET 418 HB3 0.06 -0.03 0.15 -0.04 2.03 2.17 1i48H1 MET 418 HG2 0.06 0.29 -0.08 -0.04 2.63 2.87 1i48H1 MET 418 HG3 0.07 0.03 0.05 -0.04 2.56 2.66 1i48H1 MET 418 HE3 0.02 0.00 -0.04 -0.04 2.10 2.04 1i48H1 ASP 419 H 0.06 0.22 0.18 -0.55 8.40 8.31 1i48H1 ASP 419 HA 0.09 0.07 0.37 -0.75 4.63 4.41 1i48H1 ASP 419 HB2 0.08 -0.04 0.06 -0.04 2.71 2.77 1i48H1 ASP 419 HB3 0.11 -0.02 0.20 -0.04 2.70 2.94 1i48H1 ASN 420 H 0.06 -0.22 -0.86 -0.55 8.53 6.97 1i48H1 ASN 420 HA 0.07 0.15 0.53 -0.75 4.76 4.75 1i48H1 ASN 420 HB2 0.07 -0.11 0.09 -0.04 2.88 2.89 1i48H1 ASN 420 HB3 0.09 -0.03 0.02 -0.04 2.79 2.84 1i48H1 ASN 420 HD21 0.08 0.16 0.01 -0.04 7.03 7.24 1i48H1 ASN 420 HD22 0.10 -0.12 -0.04 -0.04 7.74 7.65 1i48H1 LEU 421 H 0.04 -0.05 0.00 -0.55 8.37 7.82 1i48H1 LEU 421 HA 0.01 0.06 0.26 -0.75 4.35 3.92 1i48H1 LEU 421 HB2 0.03 -0.07 0.15 -0.04 1.64 1.71 1i48H1 LEU 421 HB3 -0.04 0.01 0.08 -0.04 1.64 1.65 1i48H1 LEU 421 HG -0.15 -0.03 -0.28 -0.04 1.64 1.14 1i48H1 LEU 421 HD13 -0.09 -0.08 -0.05 -0.04 0.93 0.67 1i48H1 LEU 421 HD23 -0.27 -0.01 -0.10 -0.04 0.89 0.47 1i48H1 VAL 422 H -0.23 0.27 0.28 -0.55 8.24 8.01 1i48H1 VAL 422 HA -0.15 0.17 1.04 -0.75 4.13 4.43 1i48H1 VAL 422 HB -0.90 0.12 0.21 -0.04 2.12 1.51 1i48H1 VAL 422 HG13 -0.13 -0.01 -0.15 -0.04 0.97 0.64 1i48H1 VAL 422 HG23 0.05 0.04 -0.08 -0.04 0.95 0.92 1i48H1 ARG 423 H -0.13 0.46 0.35 -0.55 8.46 8.59 1i48H1 ARG 423 HA -0.08 0.15 0.93 -0.75 4.34 4.58 1i48H1 ARG 423 HB2 -0.06 -0.01 0.11 -0.04 1.90 1.90 1i48H1 ARG 423 HB3 -0.05 -0.00 -0.03 -0.04 1.80 1.68 1i48H1 ARG 423 HG2 -0.13 0.06 -0.04 -0.04 1.67 1.51 1i48H1 ARG 423 HG3 -0.11 -0.04 -0.08 -0.04 1.67 1.39 1i48H1 ARG 423 HD2 -0.01 0.02 -0.07 -0.04 3.22 3.12 1i48H1 ARG 423 HD3 -0.08 -0.08 -0.05 -0.04 3.22 2.98 1i48H1 PHE 424 H 0.08 0.43 0.26 -0.55 8.34 8.56 1i48H1 PHE 424 HA -0.13 0.27 1.15 -0.75 4.62 5.15 1i48H1 PHE 424 HB2 0.08 0.01 -0.10 -0.04 3.15 3.10 1i48H1 PHE 424 HB3 -0.32 -0.01 0.23 -0.04 3.06 2.92 1i48H1 PHE 424 HD2 -0.30 -0.02 -0.44 -0.04 7.28 6.48 1i48H1 PHE 424 HE2 0.02 -0.06 -0.12 -0.04 7.38 7.19 1i48H1 PHE 424 HZ 0.06 -0.06 -0.07 -0.04 7.32 7.21 1i48H1 SER 425 H -0.12 0.76 0.28 -0.55 8.46 8.83 1i48H1 SER 425 HA 0.15 0.08 0.86 -0.75 4.49 4.83 1i48H1 SER 425 HB2 0.16 -0.07 0.10 -0.04 3.95 4.10 1i48H1 SER 425 HB3 0.06 0.10 0.30 -0.04 3.93 4.36 1i48H1 PHE 426 H 0.21 0.58 0.33 -0.55 8.34 8.91 1i48H1 PHE 426 HA 0.43 -0.12 0.46 -0.75 4.62 4.63 1i48H1 PHE 426 HB2 0.19 0.11 0.25 -0.04 3.15 3.66 1i48H1 PHE 426 HB3 0.14 0.02 0.00 -0.04 3.06 3.17 1i48H1 PHE 426 HD2 -0.01 -0.01 -0.05 -0.04 7.28 7.17 1i48H1 PHE 426 HE2 -0.54 -0.03 -0.08 -0.04 7.38 6.69 1i48H1 PHE 426 HZ -0.41 0.00 -0.10 -0.04 7.32 6.78 1i48H1 GLY 427 H 0.35 -0.08 0.16 -0.55 8.43 8.31 1i48H1 GLY 427 HA2 0.17 0.37 0.13 -0.51 4.01 4.18 1i48H1 GLY 427 HA3 0.17 -0.10 0.12 -0.51 4.01 3.69 1i48H1 VAL 428 H 0.10 0.74 0.32 -0.55 8.24 8.85 1i48H1 VAL 428 HA 0.11 0.21 0.80 -0.75 4.13 4.50 1i48H1 VAL 428 HB 0.05 -0.01 0.10 -0.04 2.12 2.22 1i48H1 VAL 428 HG13 0.03 -0.02 -0.03 -0.04 0.97 0.92 1i48H1 VAL 428 HG23 0.06 -0.00 0.05 -0.04 0.95 1.02 1i48H1 GLU 429 H 0.11 -0.00 -0.08 -0.55 8.60 8.08 1i48H1 GLU 429 HA 0.06 0.06 0.36 -0.75 4.29 4.01 1i48H1 GLU 429 HB2 0.09 0.00 -0.08 -0.04 2.09 2.06 1i48H1 GLU 429 HB3 0.05 -0.06 0.10 -0.04 1.99 2.05 1i48H1 GLU 429 HG2 0.06 0.05 0.04 -0.04 2.34 2.45 1i48H1 GLU 429 HG3 0.07 0.04 0.07 -0.04 2.34 2.48 1i48H1 ASP 430 H 0.05 0.09 0.13 -0.55 8.40 8.12 1i48H1 ASP 430 HA 0.07 0.17 0.53 -0.75 4.63 4.64 1i48H1 ASP 430 HB2 0.04 0.09 0.16 -0.04 2.71 2.95 1i48H1 ASP 430 HB3 0.04 -0.15 0.08 -0.04 2.70 2.63 1i48H1 PHE 431 H 0.18 0.21 0.18 -0.55 8.34 8.37 1i48H1 PHE 431 HA -0.05 0.13 0.32 -0.75 4.62 4.26 1i48H1 PHE 431 HB2 -0.05 0.10 0.17 -0.04 3.15 3.33 1i48H1 PHE 431 HB3 -0.04 -0.10 0.19 -0.04 3.06 3.07 1i48H1 PHE 431 HD2 -0.11 -0.02 -0.01 -0.04 7.28 7.10 1i48H1 PHE 431 HE2 -0.15 0.06 -0.03 -0.04 7.38 7.22 1i48H1 PHE 431 HZ -0.11 0.06 -0.14 -0.04 7.32 7.08 1i48H1 ASP 432 H 0.22 0.13 -0.04 -0.55 8.40 8.17 1i48H1 ASP 432 HA -0.06 0.06 0.35 -0.75 4.63 4.22 1i48H1 ASP 432 HB2 0.05 -0.04 0.05 -0.04 2.71 2.73 1i48H1 ASP 432 HB3 0.03 0.07 -0.02 -0.04 2.70 2.74 1i48H1 ASP 433 H -0.00 0.06 -0.35 -0.55 8.40 7.57 1i48H1 ASP 433 HA -0.02 0.04 0.35 -0.75 4.63 4.25 1i48H1 ASP 433 HB2 0.01 0.08 0.12 -0.04 2.71 2.87 1i48H1 ASP 433 HB3 0.01 0.02 -0.05 -0.04 2.70 2.64 1i48H1 LEU 434 H -0.09 0.51 -0.18 -0.55 8.37 8.05 1i48H1 LEU 434 HA 0.01 0.00 0.47 -0.75 4.35 4.08 1i48H1 LEU 434 HB2 -0.20 0.12 0.14 -0.04 1.64 1.66 1i48H1 LEU 434 HB3 -0.05 -0.02 -0.07 -0.04 1.64 1.47 1i48H1 LEU 434 HG 0.06 -0.06 -0.14 -0.04 1.64 1.46 1i48H1 LEU 434 HD13 0.09 -0.01 -0.36 -0.04 0.93 0.61 1i48H1 LEU 434 HD23 0.28 -0.02 -0.03 -0.04 0.89 1.07 1i48H1 LYS 435 H -0.51 0.72 0.09 -0.55 8.42 8.17 1i48H1 LYS 435 HA -0.30 0.02 0.35 -0.75 4.32 3.63 1i48H1 LYS 435 HB2 -1.01 -0.01 0.03 -0.04 1.87 0.84 1i48H1 LYS 435 HB3 -0.52 0.00 0.09 -0.04 1.79 1.32 1i48H1 LYS 435 HG2 -0.12 0.03 -0.34 -0.04 1.46 0.99 1i48H1 LYS 435 HG3 -0.16 0.00 -0.08 -0.04 1.46 1.18 1i48H1 LYS 435 HD2 0.06 0.02 -0.07 -0.04 1.69 1.67 1i48H1 LYS 435 HD3 0.03 -0.06 -0.07 -0.04 1.68 1.55 1i48H1 LYS 435 HE2 -0.01 0.01 -0.08 -0.04 2.99 2.87 1i48H1 LYS 435 HE3 0.03 0.03 -0.06 -0.04 2.99 2.95 1i48H1 ALA 436 H -0.13 0.71 -0.07 -0.55 8.40 8.36 1i48H1 ALA 436 HA -0.03 -0.03 0.34 -0.75 4.34 3.86 1i48H1 ALA 436 HB3 -0.02 0.01 0.06 -0.04 1.41 1.42 1i48H1 ASP 437 H -0.03 0.36 -0.40 -0.55 8.40 7.79 1i48H1 ASP 437 HA 0.02 0.01 0.41 -0.75 4.63 4.32 1i48H1 ASP 437 HB2 0.02 0.13 0.22 -0.04 2.71 3.03 1i48H1 ASP 437 HB3 0.06 0.12 0.25 -0.04 2.70 3.08 1i48H1 ILE 438 H 0.03 0.60 0.06 -0.55 8.25 8.39 1i48H1 ILE 438 HA 0.23 0.00 0.32 -0.75 4.18 3.99 1i48H1 ILE 438 HB -0.04 0.05 0.12 -0.04 1.89 1.98 1i48H1 ILE 438 HG12 0.28 -0.02 -0.02 -0.04 1.49 1.68 1i48H1 ILE 438 HG13 0.08 0.09 0.03 -0.04 1.21 1.37 1i48H1 ILE 438 HG23 0.06 -0.00 -0.21 -0.04 0.93 0.74 1i48H1 ILE 438 HD13 -0.21 -0.02 -0.10 -0.04 0.88 0.50 1i48H1 LEU 439 H -0.02 0.67 -0.10 -0.55 8.37 8.38 1i48H1 LEU 439 HA -0.04 0.01 0.31 -0.75 4.35 3.88 1i48H1 LEU 439 HB2 -0.00 0.07 0.10 -0.04 1.64 1.76 1i48H1 LEU 439 HB3 0.03 -0.04 -0.05 -0.04 1.64 1.54 1i48H1 LEU 439 HG -0.05 0.10 -0.01 -0.04 1.64 1.64 1i48H1 LEU 439 HD13 -0.01 -0.03 -0.11 -0.04 0.93 0.74 1i48H1 LEU 439 HD23 0.03 -0.01 -0.06 -0.04 0.89 0.82 1i48H1 GLN 440 H 0.03 0.66 -0.03 -0.55 8.47 8.57 1i48H1 GLN 440 HA 0.04 -0.04 0.41 -0.75 4.36 4.01 1i48H1 GLN 440 HB2 0.02 -0.09 0.12 -0.04 2.15 2.16 1i48H1 GLN 440 HB3 0.03 0.22 0.23 -0.04 2.02 2.45 1i48H1 GLN 440 HG2 0.03 -0.07 -0.12 -0.04 2.40 2.20 1i48H1 GLN 440 HG3 0.02 -0.07 -0.03 -0.04 2.39 2.27 1i48H1 GLN 440 HE21 0.02 0.26 -0.13 -0.04 6.97 7.08 1i48H1 GLN 440 HE22 0.03 -0.09 -0.14 -0.04 7.69 7.44 1i48H1 ALA 441 H 0.10 0.70 -0.28 -0.55 8.40 8.36 1i48H1 ALA 441 HA 0.12 0.02 0.36 -0.75 4.34 4.08 1i48H1 ALA 441 HB3 0.18 0.02 0.01 -0.04 1.41 1.58 1i48H1 LEU 442 H 0.07 0.59 -0.76 -0.55 8.37 7.73 1i48H1 LEU 442 HA -0.04 0.09 0.83 -0.75 4.35 4.48 1i48H1 LEU 442 HB2 -0.12 0.24 0.17 -0.04 1.64 1.89 1i48H1 LEU 442 HB3 -0.27 -0.15 0.10 -0.04 1.64 1.28 1i48H1 LEU 442 HG -0.22 0.12 -0.19 -0.04 1.64 1.31 1i48H1 LEU 442 HD13 -0.57 -0.04 -0.19 -0.04 0.93 0.08 1i48H1 LEU 442 HD23 -0.69 -0.04 -0.06 -0.04 0.89 0.06 1i48H1 ASP 443 H 0.06 0.57 -0.07 -0.55 8.40 8.41 1i48H1 ASP 443 HA 0.05 0.11 0.83 -0.75 4.63 4.87 1i48H1 ASP 443 HB2 0.04 0.15 0.15 -0.04 2.71 3.02 1i48H1 ASP 443 HB3 0.04 -0.06 0.19 -0.04 2.70 2.83 1i48H1 SER 444 H 0.07 0.19 -0.42 -0.55 8.46 7.76 1i48H1 SER 444 HA 0.04 0.15 0.66 -0.75 4.49 4.58 1i48H1 SER 444 HB2 0.05 -0.03 0.09 -0.04 3.95 4.02 1i48H1 SER 444 HB3 0.07 0.05 0.01 -0.04 3.93 4.01 1i48H1 ILE 445 H 0.04 0.10 -0.51 -0.55 8.25 7.33 1i48H1 ILE 445 HA 0.04 0.17 0.47 -0.75 4.18 4.10 1i48H1 ILE 445 HB 0.04 -0.01 -0.01 -0.04 1.89 1.87 1i48H1 ILE 445 HG12 0.09 0.04 -0.45 -0.04 1.49 1.13 1i48H1 ILE 445 HG13 0.04 0.06 -0.15 -0.04 1.21 1.12 1i48H1 ILE 445 HG23 0.05 0.02 -0.04 -0.04 0.93 0.92 1i48H1 ILE 445 HD13 0.06 0.02 -0.11 -0.04 0.88 0.81