============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. TYR 16 0.840 15.470 -33.574 -23.075 -99.200 -91.000 PHE 20 1.000 6.176 -29.452 -26.149 -99.200 -91.000 TYR 26 0.840 -0.243 -28.495 -20.785 -99.200 -91.000 HIS 29 0.900 0.094 -31.429 -10.020 -99.200 -91.000 PHE 38 1.000 19.307 -35.020 -6.636 -99.200 -91.000 HIS 45 0.900 16.279 -28.332 -15.247 -99.200 -91.000 TYR 47 0.840 14.863 -24.246 -8.496 -99.200 -91.000 HIS 52 0.900 1.451 -34.979 -6.486 -99.200 -91.000 TYR 53 0.840 8.750 -39.228 -1.823 -99.200 -91.000 TYR 75 0.840 1.709 -36.157 -21.760 -99.200 -91.000 HIS 82 0.900 19.434 -51.694 -20.208 -99.200 -91.000 PHE 87 1.000 16.277 -60.835 -22.690 -99.200 -91.000 TYR 92 0.840 10.487 -53.508 -10.672 -99.200 -91.000 PHE 119 1.000 -3.023 -43.754 -19.758 -99.200 -91.000 TYR 120 0.840 2.680 -40.861 -25.256 -99.200 -91.000 TYR 128 0.840 6.558 -51.951 -34.957 -99.200 -91.000 PHE 142 1.000 2.481 -53.885 -32.138 -99.200 -91.000 TYR 143 0.840 8.433 -62.948 -33.761 -99.200 -91.000 TYR 148 0.840 10.953 -52.183 -22.774 -99.200 -91.000 TYR 154 0.840 -1.598 -56.550 -19.559 -99.200 -91.000 TYR 156 0.840 -0.500 -51.135 -29.402 -99.200 -91.000 TRP 157 1.040 -2.413 -55.568 -28.380 -99.200 -91.000 TRP6 157 1.020 -3.958 -54.883 -30.041 -99.200 -91.000 PHE 162 1.000 -8.963 -49.513 -18.573 -99.200 -91.000 TYR 166 0.840 -14.226 -49.756 -19.454 -99.200 -91.000 PHE 169 1.000 -7.656 -38.035 -27.319 -99.200 -91.000 PHE 176 1.000 10.421 -47.527 -34.944 -99.200 -91.000 HIS 178 0.900 12.444 -41.652 -27.336 -99.200 -91.000 PHE 187 1.000 18.375 -47.204 -21.657 -99.200 -91.000 TYR 200 0.840 39.116 -34.424 -25.951 -99.200 -91.000 PHE 207 1.000 33.538 -47.806 -25.333 -99.200 -91.000 TRP 218 1.040 20.099 -45.036 -31.659 -99.200 -91.000 TRP6 218 1.020 21.864 -46.269 -32.707 -99.200 -91.000 HIS 220 0.900 17.882 -34.373 -28.465 -99.200 -91.000 TYR 224 0.840 11.876 -39.439 -31.573 -99.200 -91.000 TRP 229 1.040 1.011 -30.564 -25.926 -99.200 -91.000 TRP6 229 1.020 0.914 -29.153 -27.869 -99.200 -91.000 PHE 240 1.000 -0.914 -40.287 -34.802 -99.200 -91.000 HIS 248 0.900 22.811 -43.516 -39.064 -99.200 -91.000 PHE 253 1.000 25.833 -43.015 -30.704 -99.200 -91.000 PHE 258 1.000 36.511 -44.328 -29.824 -99.200 -91.000 HIS 260 0.900 31.218 -35.817 -33.598 -99.200 -91.000 TRP 267 1.040 35.157 -51.270 -36.228 -99.200 -91.000 TRP6 267 1.020 34.588 -51.210 -33.930 -99.200 -91.000 HIS 285 0.900 41.525 -45.722 -27.632 -99.200 -91.000 TYR 292 0.840 28.627 -55.132 -21.243 -99.200 -91.000 TYR 293 0.840 27.043 -60.414 -28.528 -99.200 -91.000 PHE 300 1.000 18.702 -56.746 -39.313 -99.200 -91.000 TRP 314 1.040 7.346 -35.135 -34.157 -99.200 -91.000 TRP6 314 1.020 8.633 -36.900 -35.077 -99.200 -91.000 PHE 320 1.000 23.829 -41.974 -35.920 -99.200 -91.000 HIS 329 0.900 31.268 -31.406 -29.626 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1t2aA1 ARG 23 HA -0.03 -0.04 0.21 -0.75 4.34 3.73 1t2aA1 ARG 23 HB2 -0.03 -0.03 0.07 -0.04 1.90 1.87 1t2aA1 ARG 23 HB3 -0.06 -0.09 0.14 -0.04 1.80 1.75 1t2aA1 ARG 23 HG2 -0.05 0.00 -0.02 -0.04 1.67 1.56 1t2aA1 ARG 23 HG3 -0.06 0.03 -0.17 -0.04 1.67 1.43 1t2aA1 ARG 23 HD2 -0.02 0.00 0.01 -0.04 3.22 3.17 1t2aA1 ARG 23 HD3 -0.02 -0.02 0.03 -0.04 3.22 3.17 1t2aA1 ASN 24 H -0.11 0.18 0.07 -0.55 8.53 8.13 1t2aA1 ASN 24 HA -0.16 0.11 0.83 -0.75 4.76 4.79 1t2aA1 ASN 24 HB2 -0.62 0.03 0.10 -0.04 2.88 2.35 1t2aA1 ASN 24 HB3 -1.53 -0.05 -0.00 -0.04 2.79 1.16 1t2aA1 ASN 24 HD21 -0.07 -0.01 -0.07 -0.04 7.03 6.84 1t2aA1 ASN 24 HD22 -0.15 -0.01 0.02 -0.04 7.74 7.55 1t2aA1 VAL 25 H 0.06 0.17 0.16 -0.55 8.24 8.08 1t2aA1 VAL 25 HA 0.19 0.33 1.14 -0.75 4.13 5.04 1t2aA1 VAL 25 HB 0.07 -0.10 0.17 -0.04 2.12 2.22 1t2aA1 VAL 25 HG13 0.14 0.05 -0.20 -0.04 0.97 0.91 1t2aA1 VAL 25 HG23 0.06 0.02 -0.19 -0.04 0.95 0.80 1t2aA1 ALA 26 H 0.33 0.57 0.32 -0.55 8.40 9.08 1t2aA1 ALA 26 HA 0.26 0.33 1.10 -0.75 4.34 5.27 1t2aA1 ALA 26 HB3 0.29 -0.03 -0.04 -0.04 1.41 1.59 1t2aA1 LEU 27 H 0.16 0.68 0.46 -0.55 8.37 9.13 1t2aA1 LEU 27 HA 0.16 0.26 0.95 -0.75 4.35 4.96 1t2aA1 LEU 27 HB2 0.02 0.10 -0.07 -0.04 1.64 1.64 1t2aA1 LEU 27 HB3 0.04 -0.00 0.15 -0.04 1.64 1.79 1t2aA1 LEU 27 HG 0.04 -0.13 -0.39 -0.04 1.64 1.11 1t2aA1 LEU 27 HD13 0.01 0.01 -0.28 -0.04 0.93 0.63 1t2aA1 LEU 27 HD23 -0.03 0.00 -0.15 -0.04 0.89 0.68 1t2aA1 ILE 28 H 0.11 0.79 0.34 -0.55 8.25 8.94 1t2aA1 ILE 28 HA 0.13 0.21 1.10 -0.75 4.18 4.86 1t2aA1 ILE 28 HB 0.04 -0.03 0.16 -0.04 1.89 2.02 1t2aA1 ILE 28 HG12 -0.04 0.00 -0.15 -0.04 1.49 1.26 1t2aA1 ILE 28 HG13 0.07 0.06 -0.29 -0.04 1.21 1.01 1t2aA1 ILE 28 HG23 0.01 -0.04 -0.22 -0.04 0.93 0.64 1t2aA1 ILE 28 HD13 -0.09 0.01 -0.15 -0.04 0.88 0.61 1t2aA1 THR 29 H 0.05 0.54 0.35 -0.55 8.28 8.67 1t2aA1 THR 29 HA 0.05 0.08 0.88 -0.75 4.39 4.65 1t2aA1 THR 29 HB 0.04 -0.03 0.15 -0.04 4.32 4.44 1t2aA1 THR 29 HG23 0.02 0.07 -0.03 -0.04 1.22 1.24 1t2aA1 GLY 30 H 0.05 0.28 0.21 -0.55 8.43 8.43 1t2aA1 GLY 30 HA2 0.05 -0.00 0.31 -0.51 4.01 3.86 1t2aA1 GLY 30 HA3 0.06 0.12 0.16 -0.51 4.01 3.83 1t2aA1 ILE 31 H 0.03 0.26 -0.16 -0.55 8.25 7.83 1t2aA1 ILE 31 HA 0.00 0.05 0.27 -0.75 4.18 3.74 1t2aA1 ILE 31 HB 0.02 0.15 0.05 -0.04 1.89 2.07 1t2aA1 ILE 31 HG12 -0.04 -0.00 -0.21 -0.04 1.49 1.20 1t2aA1 ILE 31 HG13 -0.03 0.05 -0.08 -0.04 1.21 1.11 1t2aA1 ILE 31 HG23 0.00 0.03 -0.18 -0.04 0.93 0.74 1t2aA1 ILE 31 HD13 -0.01 0.04 -0.16 -0.04 0.88 0.70 1t2aA1 THR 32 H 0.00 0.01 -0.28 -0.55 8.28 7.46 1t2aA1 THR 32 HA -0.04 0.16 0.39 -0.75 4.39 4.14 1t2aA1 THR 32 HB -0.06 0.11 0.18 -0.04 4.32 4.51 1t2aA1 THR 32 HG23 -0.05 -0.01 -0.02 -0.04 1.22 1.10 1t2aA1 GLY 33 H 0.01 0.28 -0.43 -0.55 8.43 7.75 1t2aA1 GLY 33 HA2 0.02 0.13 0.45 -0.51 4.01 4.09 1t2aA1 GLY 33 HA3 0.03 -0.01 0.31 -0.51 4.01 3.82 1t2aA1 GLN 34 H 0.02 0.07 0.15 -0.55 8.47 8.16 1t2aA1 GLN 34 HA -0.00 0.19 0.25 -0.75 4.36 4.05 1t2aA1 GLN 34 HB2 -0.00 0.09 0.04 -0.04 2.15 2.24 1t2aA1 GLN 34 HB3 -0.01 -0.08 0.16 -0.04 2.02 2.04 1t2aA1 GLN 34 HG2 0.21 0.04 -0.49 -0.04 2.40 2.12 1t2aA1 GLN 34 HG3 0.19 -0.01 -0.24 -0.04 2.39 2.28 1t2aA1 GLN 34 HE21 -0.23 0.39 0.06 -0.04 6.97 7.15 1t2aA1 GLN 34 HE22 -0.04 -0.02 -0.03 -0.04 7.69 7.55 1t2aA1 ASP 35 H 0.07 0.08 -0.05 -0.55 8.40 7.95 1t2aA1 ASP 35 HA 0.20 0.05 0.32 -0.75 4.63 4.45 1t2aA1 ASP 35 HB2 0.10 0.02 0.05 -0.04 2.71 2.84 1t2aA1 ASP 35 HB3 0.08 0.09 -0.06 -0.04 2.70 2.77 1t2aA1 GLY 36 H 0.04 0.05 -0.32 -0.55 8.43 7.64 1t2aA1 GLY 36 HA2 -0.03 0.03 0.21 -0.51 4.01 3.72 1t2aA1 GLY 36 HA3 -0.00 0.14 0.18 -0.51 4.01 3.82 1t2aA1 SER 37 H -0.03 0.42 -0.41 -0.55 8.46 7.90 1t2aA1 SER 37 HA -0.07 0.08 0.32 -0.75 4.49 4.07 1t2aA1 SER 37 HB2 -0.12 0.13 -0.05 -0.04 3.95 3.87 1t2aA1 SER 37 HB3 -0.09 0.05 -0.05 -0.04 3.93 3.79 1t2aA1 TYR 38 H 0.02 0.35 -0.13 -0.55 8.29 7.98 1t2aA1 TYR 38 HA 0.03 0.10 0.47 -0.75 4.56 4.41 1t2aA1 TYR 38 HB2 0.01 0.04 0.02 -0.04 3.06 3.09 1t2aA1 TYR 38 HB3 0.02 -0.01 -0.12 -0.04 2.98 2.83 1t2aA1 TYR 38 HD2 0.05 0.07 -0.09 -0.04 7.15 7.14 1t2aA1 TYR 38 HE2 0.04 -0.05 -0.08 -0.04 6.85 6.73 1t2aA1 LEU 39 H 0.04 0.68 -0.11 -0.55 8.37 8.43 1t2aA1 LEU 39 HA -0.07 0.03 0.50 -0.75 4.35 4.06 1t2aA1 LEU 39 HB2 -0.18 -0.08 0.02 -0.04 1.64 1.36 1t2aA1 LEU 39 HB3 -0.14 0.06 0.04 -0.04 1.64 1.56 1t2aA1 LEU 39 HG -0.35 0.04 -0.33 -0.04 1.64 0.96 1t2aA1 LEU 39 HD13 -0.43 0.00 -0.04 -0.04 0.93 0.43 1t2aA1 LEU 39 HD23 -0.86 -0.01 -0.13 -0.04 0.89 -0.15 1t2aA1 ALA 40 H -0.05 0.65 -0.16 -0.55 8.40 8.29 1t2aA1 ALA 40 HA -0.07 0.03 0.32 -0.75 4.34 3.86 1t2aA1 ALA 40 HB3 -0.06 0.03 0.02 -0.04 1.41 1.36 1t2aA1 GLU 41 H -0.00 0.32 -0.30 -0.55 8.60 8.08 1t2aA1 GLU 41 HA -0.04 0.08 0.35 -0.75 4.29 3.93 1t2aA1 GLU 41 HB2 0.10 0.07 0.11 -0.04 2.09 2.32 1t2aA1 GLU 41 HB3 0.05 -0.03 -0.02 -0.04 1.99 1.95 1t2aA1 GLU 41 HG2 0.00 0.00 -0.00 -0.04 2.34 2.30 1t2aA1 GLU 41 HG3 -0.01 0.22 0.11 -0.04 2.34 2.62 1t2aA1 PHE 42 H 0.13 0.50 -0.18 -0.55 8.34 8.24 1t2aA1 PHE 42 HA -0.13 0.01 0.40 -0.75 4.62 4.15 1t2aA1 PHE 42 HB2 -0.09 -0.03 0.09 -0.04 3.15 3.08 1t2aA1 PHE 42 HB3 -0.19 0.07 0.13 -0.04 3.06 3.04 1t2aA1 PHE 42 HD2 -0.29 0.01 -0.14 -0.04 7.28 6.82 1t2aA1 PHE 42 HE2 -0.83 0.01 -0.04 -0.04 7.38 6.47 1t2aA1 PHE 42 HZ -0.51 0.04 -0.02 -0.04 7.32 6.79 1t2aA1 LEU 43 H -0.06 0.60 -0.25 -0.55 8.37 8.11 1t2aA1 LEU 43 HA -0.45 0.06 0.37 -0.75 4.35 3.57 1t2aA1 LEU 43 HB2 -0.16 0.09 0.06 -0.04 1.64 1.59 1t2aA1 LEU 43 HB3 -0.42 -0.02 -0.06 -0.04 1.64 1.09 1t2aA1 LEU 43 HG -0.17 0.04 -0.04 -0.04 1.64 1.43 1t2aA1 LEU 43 HD13 -0.28 -0.03 -0.16 -0.04 0.93 0.42 1t2aA1 LEU 43 HD23 -0.61 -0.00 -0.11 -0.04 0.89 0.13 1t2aA1 LEU 44 H -0.08 0.61 -0.07 -0.55 8.37 8.28 1t2aA1 LEU 44 HA 0.00 0.19 0.37 -0.75 4.35 4.16 1t2aA1 LEU 44 HB2 -0.06 0.01 0.14 -0.04 1.64 1.68 1t2aA1 LEU 44 HB3 -0.04 -0.02 0.00 -0.04 1.64 1.55 1t2aA1 LEU 44 HG -0.04 0.08 0.03 -0.04 1.64 1.66 1t2aA1 LEU 44 HD13 -0.07 -0.04 -0.15 -0.04 0.93 0.63 1t2aA1 LEU 44 HD23 -0.02 0.05 -0.10 -0.04 0.89 0.79 1t2aA1 GLU 45 H -0.15 0.45 -0.33 -0.55 8.60 8.02 1t2aA1 GLU 45 HA -0.09 0.01 0.38 -0.75 4.29 3.83 1t2aA1 GLU 45 HB2 -0.14 0.04 0.12 -0.04 2.09 2.07 1t2aA1 GLU 45 HB3 -0.33 0.16 0.08 -0.04 1.99 1.86 1t2aA1 GLU 45 HG2 -0.11 -0.02 0.09 -0.04 2.34 2.26 1t2aA1 GLU 45 HG3 -0.13 -0.09 0.02 -0.04 2.34 2.10 1t2aA1 LYS 46 H -0.20 0.26 -0.53 -0.55 8.42 7.39 1t2aA1 LYS 46 HA -0.13 0.11 0.74 -0.75 4.32 4.29 1t2aA1 LYS 46 HB2 -0.15 0.06 0.09 -0.04 1.87 1.82 1t2aA1 LYS 46 HB3 0.05 -0.03 0.12 -0.04 1.79 1.89 1t2aA1 LYS 46 HG2 -0.36 -0.02 -0.00 -0.04 1.46 1.03 1t2aA1 LYS 46 HG3 -0.71 0.04 -0.05 -0.04 1.46 0.71 1t2aA1 LYS 46 HD2 -1.18 -0.02 -0.05 -0.04 1.69 0.39 1t2aA1 LYS 46 HD3 -0.57 0.00 -0.02 -0.04 1.68 1.05 1t2aA1 LYS 46 HE2 -1.77 -0.00 -0.04 -0.04 2.99 1.13 1t2aA1 LYS 46 HE3 -2.20 -0.05 -0.05 -0.04 2.99 0.65 1t2aA1 GLY 47 H -0.01 0.44 -0.45 -0.55 8.43 7.86 1t2aA1 GLY 47 HA2 0.01 0.04 0.29 -0.51 4.01 3.84 1t2aA1 GLY 47 HA3 0.01 0.02 0.45 -0.51 4.01 3.97 1t2aA1 TYR 48 H 0.28 0.39 -0.07 -0.55 8.29 8.34 1t2aA1 TYR 48 HA 0.04 0.17 0.50 -0.75 4.56 4.51 1t2aA1 TYR 48 HB2 0.01 -0.06 -0.24 -0.04 3.06 2.73 1t2aA1 TYR 48 HB3 0.06 0.00 -0.29 -0.04 2.98 2.72 1t2aA1 TYR 48 HD2 0.07 0.01 -0.23 -0.04 7.15 6.95 1t2aA1 TYR 48 HE2 0.24 -0.00 -0.12 -0.04 6.85 6.93 1t2aA1 GLU 49 H 0.10 0.58 0.42 -0.55 8.60 9.15 1t2aA1 GLU 49 HA 0.03 0.17 0.78 -0.75 4.29 4.52 1t2aA1 GLU 49 HB2 0.15 -0.05 0.26 -0.04 2.09 2.41 1t2aA1 GLU 49 HB3 0.10 -0.02 0.03 -0.04 1.99 2.06 1t2aA1 GLU 49 HG2 0.04 -0.02 0.07 -0.04 2.34 2.38 1t2aA1 GLU 49 HG3 0.04 0.05 0.09 -0.04 2.34 2.48 1t2aA1 VAL 50 H -0.03 0.89 0.34 -0.55 8.24 8.89 1t2aA1 VAL 50 HA 0.14 0.13 0.96 -0.75 4.13 4.61 1t2aA1 VAL 50 HB -0.02 0.05 0.09 -0.04 2.12 2.20 1t2aA1 VAL 50 HG13 0.00 -0.06 -0.17 -0.04 0.97 0.71 1t2aA1 VAL 50 HG23 0.04 0.04 -0.25 -0.04 0.95 0.74 1t2aA1 HIS 51 H 0.23 0.81 0.44 -0.55 8.41 9.35 1t2aA1 HIS 51 HA 0.11 0.29 1.07 -0.75 4.63 5.35 1t2aA1 HIS 51 HB2 0.09 0.01 0.13 -0.04 3.26 3.46 1t2aA1 HIS 51 HB3 0.20 -0.06 0.00 -0.04 3.20 3.30 1t2aA1 HIS 51 HD2 0.10 0.10 -0.29 -0.04 6.97 6.83 1t2aA1 HIS 51 HE1 0.13 -0.01 -0.11 -0.04 7.75 7.71 1t2aA1 GLY 52 H 0.18 0.62 0.42 -0.55 8.43 9.10 1t2aA1 GLY 52 HA2 0.10 0.23 1.07 -0.51 4.01 4.90 1t2aA1 GLY 52 HA3 0.06 -0.05 0.32 -0.51 4.01 3.83 1t2aA1 ILE 53 H 0.07 0.42 0.33 -0.55 8.25 8.52 1t2aA1 ILE 53 HA 0.12 0.41 1.05 -0.75 4.18 5.00 1t2aA1 ILE 53 HB 0.06 -0.22 0.11 -0.04 1.89 1.80 1t2aA1 ILE 53 HG12 0.05 0.15 -0.20 -0.04 1.49 1.45 1t2aA1 ILE 53 HG13 0.05 0.00 -0.20 -0.04 1.21 1.02 1t2aA1 ILE 53 HG23 0.08 0.02 -0.33 -0.04 0.93 0.66 1t2aA1 ILE 53 HD13 0.02 -0.00 -0.14 -0.04 0.88 0.71 1t2aA1 VAL 54 H 0.08 0.90 0.33 -0.55 8.24 9.00 1t2aA1 VAL 54 HA 0.05 -0.02 0.86 -0.75 4.13 4.26 1t2aA1 VAL 54 HB -0.04 0.05 -0.09 -0.04 2.12 2.00 1t2aA1 VAL 54 HG13 0.04 0.06 -0.12 -0.04 0.97 0.90 1t2aA1 VAL 54 HG23 -0.03 -0.01 -0.26 -0.04 0.95 0.61 1t2aA1 ARG 55 H 0.08 0.05 0.17 -0.55 8.46 8.20 1t2aA1 ARG 55 HA 0.12 0.25 0.79 -0.75 4.34 4.74 1t2aA1 ARG 55 HB2 0.07 -0.05 0.08 -0.04 1.90 1.96 1t2aA1 ARG 55 HB3 0.06 0.17 -0.01 -0.04 1.80 1.97 1t2aA1 ARG 55 HG2 0.08 0.10 0.12 -0.04 1.67 1.93 1t2aA1 ARG 55 HG3 0.08 -0.09 0.08 -0.04 1.67 1.69 1t2aA1 ARG 55 HD2 0.09 0.08 0.04 -0.04 3.22 3.39 1t2aA1 ARG 55 HD3 0.12 -0.10 0.03 -0.04 3.22 3.23 1t2aA1 ARG 56 H 0.03 0.09 0.18 -0.55 8.46 8.21 1t2aA1 ARG 56 HA -0.16 0.10 0.42 -0.75 4.34 3.94 1t2aA1 ARG 56 HB2 -0.29 -0.00 0.10 -0.04 1.90 1.67 1t2aA1 ARG 56 HB3 -0.10 -0.05 0.07 -0.04 1.80 1.68 1t2aA1 ARG 56 HG2 -0.36 0.05 -0.00 -0.04 1.67 1.32 1t2aA1 ARG 56 HG3 -0.25 0.01 -0.04 -0.04 1.67 1.35 1t2aA1 ARG 56 HD2 -0.08 -0.03 -0.16 -0.04 3.22 2.91 1t2aA1 ARG 56 HD3 -0.07 -0.05 -0.60 -0.04 3.22 2.46 1t2aA1 SER 57 H 0.01 0.36 0.22 -0.55 8.46 8.51 1t2aA1 SER 57 HA -0.00 0.11 0.77 -0.75 4.49 4.61 1t2aA1 SER 57 HB2 0.02 0.01 -0.14 -0.04 3.95 3.80 1t2aA1 SER 57 HB3 0.03 0.14 0.01 -0.04 3.93 4.07 1t2aA1 SER 58 H 0.00 0.13 0.12 -0.55 8.46 8.17 1t2aA1 SER 58 HA 0.01 0.13 0.47 -0.75 4.49 4.35 1t2aA1 SER 58 HB2 0.01 0.05 0.11 -0.04 3.95 4.08 1t2aA1 SER 58 HB3 -0.00 -0.02 0.10 -0.04 3.93 3.96 1t2aA1 SER 59 H 0.03 -0.00 -0.29 -0.55 8.46 7.65 1t2aA1 SER 59 HA 0.08 0.21 0.80 -0.75 4.49 4.82 1t2aA1 SER 59 HB2 0.05 -0.04 -0.04 -0.04 3.95 3.87 1t2aA1 SER 59 HB3 0.09 0.05 0.07 -0.04 3.93 4.10 1t2aA1 PHE 60 H 0.23 0.15 0.11 -0.55 8.34 8.28 1t2aA1 PHE 60 HA 0.03 0.05 0.44 -0.75 4.62 4.39 1t2aA1 PHE 60 HB2 0.02 0.09 0.12 -0.04 3.15 3.34 1t2aA1 PHE 60 HB3 0.01 0.01 0.16 -0.04 3.06 3.20 1t2aA1 PHE 60 HD2 0.01 0.06 -0.04 -0.04 7.28 7.27 1t2aA1 PHE 60 HE2 0.00 0.06 -0.06 -0.04 7.38 7.35 1t2aA1 PHE 60 HZ -0.01 0.08 -0.21 -0.04 7.32 7.15 1t2aA1 ASN 61 H -0.41 0.12 0.18 -0.55 8.53 7.88 1t2aA1 ASN 61 HA -0.22 0.19 0.83 -0.75 4.76 4.80 1t2aA1 ASN 61 HB2 -0.07 -0.07 0.14 -0.04 2.88 2.83 1t2aA1 ASN 61 HB3 -0.05 0.10 -0.19 -0.04 2.79 2.60 1t2aA1 ASN 61 HD21 0.05 0.37 0.01 -0.04 7.03 7.41 1t2aA1 ASN 61 HD22 0.01 -0.10 -0.07 -0.04 7.74 7.54 1t2aA1 THR 62 H -1.30 0.13 0.04 -0.55 8.28 6.60 1t2aA1 THR 62 HA -0.23 0.24 0.93 -0.75 4.39 4.57 1t2aA1 THR 62 HB -0.14 0.05 0.09 -0.04 4.32 4.27 1t2aA1 THR 62 HG23 -0.14 0.01 -0.12 -0.04 1.22 0.93 1t2aA1 GLY 63 H -0.44 0.14 -0.33 -0.55 8.43 7.27 1t2aA1 GLY 63 HA2 0.36 0.08 0.28 -0.51 4.01 4.23 1t2aA1 GLY 63 HA3 0.16 0.09 0.24 -0.51 4.01 3.99 1t2aA1 ARG 64 H -0.05 0.13 -0.28 -0.55 8.46 7.71 1t2aA1 ARG 64 HA -0.01 0.14 0.43 -0.75 4.34 4.15 1t2aA1 ARG 64 HB2 -0.05 0.11 -0.02 -0.04 1.90 1.91 1t2aA1 ARG 64 HB3 -0.08 -0.02 0.05 -0.04 1.80 1.70 1t2aA1 ARG 64 HG2 -0.04 -0.01 -0.03 -0.04 1.67 1.55 1t2aA1 ARG 64 HG3 -0.03 -0.05 -0.00 -0.04 1.67 1.55 1t2aA1 ARG 64 HD2 -0.03 0.21 -0.33 -0.04 3.22 3.03 1t2aA1 ARG 64 HD3 -0.08 -0.06 -0.15 -0.04 3.22 2.89 1t2aA1 ILE 65 H -0.03 0.35 -0.31 -0.55 8.25 7.72 1t2aA1 ILE 65 HA -0.04 0.31 1.11 -0.75 4.18 4.80 1t2aA1 ILE 65 HB -0.13 0.03 0.03 -0.04 1.89 1.78 1t2aA1 ILE 65 HG12 -0.08 -0.14 -0.06 -0.04 1.49 1.17 1t2aA1 ILE 65 HG13 -0.08 0.09 -0.25 -0.04 1.21 0.93 1t2aA1 ILE 65 HG23 -0.07 0.00 -0.23 -0.04 0.93 0.60 1t2aA1 ILE 65 HD13 -0.07 0.01 -0.23 -0.04 0.88 0.55 1t2aA1 GLU 66 H 0.06 0.25 -0.07 -0.55 8.60 8.29 1t2aA1 GLU 66 HA -0.05 0.11 0.38 -0.75 4.29 3.98 1t2aA1 GLU 66 HB2 0.09 0.02 0.03 -0.04 2.09 2.18 1t2aA1 GLU 66 HB3 0.24 -0.04 -0.01 -0.04 1.99 2.15 1t2aA1 GLU 66 HG2 0.14 0.17 0.07 -0.04 2.34 2.68 1t2aA1 GLU 66 HG3 0.05 0.03 -0.11 -0.04 2.34 2.27 1t2aA1 HIS 67 H 0.26 0.14 -0.34 -0.55 8.41 7.93 1t2aA1 HIS 67 HA -0.50 0.09 0.33 -0.75 4.63 3.80 1t2aA1 HIS 67 HB2 -0.15 0.03 0.06 -0.04 3.26 3.17 1t2aA1 HIS 67 HB3 -0.13 -0.03 0.03 -0.04 3.20 3.03 1t2aA1 HIS 67 HD2 -0.07 0.01 -0.13 -0.04 6.97 6.74 1t2aA1 HIS 67 HE1 -0.12 0.26 0.10 -0.04 7.75 7.95 1t2aA1 LEU 68 H -0.53 0.44 -0.61 -0.55 8.37 7.13 1t2aA1 LEU 68 HA -0.27 0.14 0.59 -0.75 4.35 4.06 1t2aA1 LEU 68 HB2 -0.26 0.10 -0.02 -0.04 1.64 1.42 1t2aA1 LEU 68 HB3 -0.20 0.01 -0.01 -0.04 1.64 1.40 1t2aA1 LEU 68 HG -1.08 -0.10 -0.07 -0.04 1.64 0.35 1t2aA1 LEU 68 HD13 -0.19 -0.01 -0.06 -0.04 0.93 0.63 1t2aA1 LEU 68 HD23 -0.33 0.01 -0.15 -0.04 0.89 0.38 1t2aA1 TYR 69 H -0.46 0.44 -0.37 -0.55 8.29 7.35 1t2aA1 TYR 69 HA -0.02 0.01 0.20 -0.75 4.56 4.00 1t2aA1 TYR 69 HB2 -0.04 0.17 0.14 -0.04 3.06 3.29 1t2aA1 TYR 69 HB3 -0.03 -0.07 0.09 -0.04 2.98 2.94 1t2aA1 TYR 69 HD2 -0.01 0.00 -0.12 -0.04 7.15 6.98 1t2aA1 TYR 69 HE2 0.01 -0.04 -0.02 -0.04 6.85 6.75 1t2aA1 ASN 79 HA -0.03 -0.04 0.20 -0.75 4.76 4.13 1t2aA1 ASN 79 HB2 -0.01 -0.04 0.10 -0.04 2.88 2.89 1t2aA1 ASN 79 HB3 -0.01 0.04 0.12 -0.04 2.79 2.90 1t2aA1 ASN 79 HD21 0.01 0.01 -0.04 -0.04 7.03 6.97 1t2aA1 ASN 79 HD22 0.00 -0.03 0.00 -0.04 7.74 7.68 1t2aA1 MET 80 H -0.05 0.28 0.65 -0.55 8.47 8.80 1t2aA1 MET 80 HA -0.11 0.35 1.04 -0.75 4.52 5.05 1t2aA1 MET 80 HB2 -0.06 0.04 -0.21 -0.04 2.15 1.88 1t2aA1 MET 80 HB3 -0.07 -0.04 0.00 -0.04 2.03 1.88 1t2aA1 MET 80 HG2 -0.07 0.03 -0.10 -0.04 2.63 2.46 1t2aA1 MET 80 HG3 -0.07 -0.02 -0.10 -0.04 2.56 2.33 1t2aA1 MET 80 HE3 -0.09 0.06 -0.29 -0.04 2.10 1.74 1t2aA1 LYS 81 H -0.21 0.66 0.44 -0.55 8.42 8.75 1t2aA1 LYS 81 HA -0.14 0.17 1.00 -0.75 4.32 4.59 1t2aA1 LYS 81 HB2 -0.19 0.06 -0.10 -0.04 1.87 1.60 1t2aA1 LYS 81 HB3 -0.33 0.00 0.06 -0.04 1.79 1.48 1t2aA1 LYS 81 HG2 -0.51 -0.03 -0.28 -0.04 1.46 0.59 1t2aA1 LYS 81 HG3 -0.21 -0.04 0.08 -0.04 1.46 1.25 1t2aA1 LYS 81 HD2 0.01 0.03 -0.05 -0.04 1.69 1.64 1t2aA1 LYS 81 HD3 0.21 0.01 -0.09 -0.04 1.68 1.76 1t2aA1 LYS 81 HE2 -0.10 -0.03 -0.05 -0.04 2.99 2.78 1t2aA1 LYS 81 HE3 -0.11 -0.02 0.00 -0.04 2.99 2.82 1t2aA1 LEU 82 H -0.19 0.20 0.16 -0.55 8.37 8.00 1t2aA1 LEU 82 HA -0.04 0.15 0.98 -0.75 4.35 4.69 1t2aA1 LEU 82 HB2 -0.18 0.01 0.03 -0.04 1.64 1.46 1t2aA1 LEU 82 HB3 -0.14 -0.08 -0.07 -0.04 1.64 1.31 1t2aA1 LEU 82 HG -0.09 0.10 -0.21 -0.04 1.64 1.40 1t2aA1 LEU 82 HD13 -0.09 -0.01 -0.11 -0.04 0.93 0.68 1t2aA1 LEU 82 HD23 -0.05 0.01 -0.23 -0.04 0.89 0.58 1t2aA1 HIS 83 H 0.08 0.56 0.36 -0.55 8.41 8.86 1t2aA1 HIS 83 HA -0.05 0.15 0.87 -0.75 4.63 4.85 1t2aA1 HIS 83 HB2 0.04 -0.05 0.08 -0.04 3.26 3.29 1t2aA1 HIS 83 HB3 0.04 0.04 0.00 -0.04 3.20 3.24 1t2aA1 HIS 83 HD2 0.11 0.08 -0.09 -0.04 6.97 7.02 1t2aA1 HIS 83 HE1 0.11 0.06 -0.12 -0.04 7.75 7.76 1t2aA1 TYR 84 H 0.07 0.17 0.15 -0.55 8.29 8.13 1t2aA1 TYR 84 HA 0.05 0.28 0.66 -0.75 4.56 4.80 1t2aA1 TYR 84 HB2 0.05 0.01 0.14 -0.04 3.06 3.22 1t2aA1 TYR 84 HB3 0.04 -0.05 -0.02 -0.04 2.98 2.91 1t2aA1 TYR 84 HD2 0.03 0.07 -0.12 -0.04 7.15 7.09 1t2aA1 TYR 84 HE2 0.01 0.03 -0.09 -0.04 6.85 6.77 1t2aA1 GLY 85 H 0.19 0.58 0.35 -0.55 8.43 9.02 1t2aA1 GLY 85 HA2 0.10 0.06 0.40 -0.51 4.01 4.06 1t2aA1 GLY 85 HA3 0.10 0.09 0.26 -0.51 4.01 3.94 1t2aA1 ASP 86 H 0.06 0.37 0.16 -0.55 8.40 8.43 1t2aA1 ASP 86 HA 0.07 0.14 0.71 -0.75 4.63 4.79 1t2aA1 ASP 86 HB2 0.06 0.09 -0.21 -0.04 2.71 2.62 1t2aA1 ASP 86 HB3 0.05 -0.04 -0.02 -0.04 2.70 2.64 1t2aA1 LEU 87 H 0.04 0.17 0.08 -0.55 8.37 8.11 1t2aA1 LEU 87 HA 0.02 0.18 0.44 -0.75 4.35 4.24 1t2aA1 LEU 87 HB2 0.00 -0.07 0.04 -0.04 1.64 1.57 1t2aA1 LEU 87 HB3 0.00 0.12 0.13 -0.04 1.64 1.84 1t2aA1 LEU 87 HG 0.04 -0.11 -0.05 -0.04 1.64 1.48 1t2aA1 LEU 87 HD13 0.03 -0.01 -0.12 -0.04 0.93 0.79 1t2aA1 LEU 87 HD23 0.04 0.05 -0.03 -0.04 0.89 0.90 1t2aA1 THR 88 H 0.02 -0.03 -0.50 -0.55 8.28 7.22 1t2aA1 THR 88 HA -0.02 0.31 0.90 -0.75 4.39 4.84 1t2aA1 THR 88 HB -0.00 0.04 0.11 -0.04 4.32 4.44 1t2aA1 THR 88 HG23 -0.08 -0.00 -0.16 -0.04 1.22 0.93 1t2aA1 ASP 89 H 0.02 0.48 -0.30 -0.55 8.40 8.06 1t2aA1 ASP 89 HA 0.02 0.19 0.87 -0.75 4.63 4.95 1t2aA1 ASP 89 HB2 0.03 0.01 -0.11 -0.04 2.71 2.59 1t2aA1 ASP 89 HB3 0.03 -0.01 0.18 -0.04 2.70 2.87 1t2aA1 SER 90 H 0.01 0.24 0.02 -0.55 8.46 8.19 1t2aA1 SER 90 HA 0.02 0.10 0.25 -0.75 4.49 4.10 1t2aA1 SER 90 HB2 0.02 0.09 0.01 -0.04 3.95 4.02 1t2aA1 SER 90 HB3 0.02 0.04 0.05 -0.04 3.93 3.99 1t2aA1 THR 91 H 0.02 0.09 -0.12 -0.55 8.28 7.71 1t2aA1 THR 91 HA 0.01 0.13 0.37 -0.75 4.39 4.15 1t2aA1 THR 91 HB 0.02 -0.04 0.06 -0.04 4.32 4.31 1t2aA1 THR 91 HG23 0.02 0.03 -0.07 -0.04 1.22 1.16 1t2aA1 CYS 92 H 0.03 0.09 -0.24 -0.55 8.50 7.83 1t2aA1 CYS 92 HA 0.03 0.10 0.40 -0.75 4.58 4.36 1t2aA1 CYS 92 HB2 0.06 0.12 0.14 -0.04 2.97 3.25 1t2aA1 CYS 92 HB3 0.04 -0.05 0.12 -0.04 2.97 3.03 1t2aA1 LEU 93 H 0.02 0.30 -0.26 -0.55 8.37 7.88 1t2aA1 LEU 93 HA 0.01 0.01 0.41 -0.75 4.35 4.02 1t2aA1 LEU 93 HB2 0.02 0.14 0.05 -0.04 1.64 1.80 1t2aA1 LEU 93 HB3 0.02 -0.00 -0.03 -0.04 1.64 1.58 1t2aA1 LEU 93 HG 0.02 0.18 0.01 -0.04 1.64 1.81 1t2aA1 LEU 93 HD13 0.02 -0.02 -0.17 -0.04 0.93 0.72 1t2aA1 LEU 93 HD23 0.03 -0.04 -0.16 -0.04 0.89 0.68 1t2aA1 VAL 94 H 0.01 0.51 -0.03 -0.55 8.24 8.17 1t2aA1 VAL 94 HA -0.00 0.09 0.47 -0.75 4.13 3.94 1t2aA1 VAL 94 HB 0.01 0.06 0.15 -0.04 2.12 2.29 1t2aA1 VAL 94 HG13 0.00 0.01 -0.14 -0.04 0.97 0.80 1t2aA1 VAL 94 HG23 0.01 0.02 0.02 -0.04 0.95 0.95 1t2aA1 LYS 95 H 0.01 0.41 -0.20 -0.55 8.42 8.08 1t2aA1 LYS 95 HA 0.00 0.06 0.33 -0.75 4.32 3.96 1t2aA1 LYS 95 HB2 0.02 -0.02 0.08 -0.04 1.87 1.91 1t2aA1 LYS 95 HB3 0.02 0.06 0.18 -0.04 1.79 2.01 1t2aA1 LYS 95 HG2 0.03 0.03 -0.27 -0.04 1.46 1.20 1t2aA1 LYS 95 HG3 0.02 0.01 0.00 -0.04 1.46 1.45 1t2aA1 LYS 95 HD2 0.03 -0.03 -0.02 -0.04 1.69 1.64 1t2aA1 LYS 95 HD3 0.05 -0.04 -0.01 -0.04 1.68 1.64 1t2aA1 LYS 95 HE2 0.07 -0.01 -0.02 -0.04 2.99 2.98 1t2aA1 LYS 95 HE3 0.05 0.04 -0.04 -0.04 2.99 3.00 1t2aA1 ILE 96 H -0.02 0.46 -0.14 -0.55 8.25 8.00 1t2aA1 ILE 96 HA -0.13 0.05 0.42 -0.75 4.18 3.77 1t2aA1 ILE 96 HB -0.06 0.02 0.10 -0.04 1.89 1.90 1t2aA1 ILE 96 HG12 -0.07 -0.03 -0.03 -0.04 1.49 1.33 1t2aA1 ILE 96 HG13 0.00 0.06 0.06 -0.04 1.21 1.30 1t2aA1 ILE 96 HG23 -0.36 -0.01 -0.22 -0.04 0.93 0.30 1t2aA1 ILE 96 HD13 0.05 0.01 -0.17 -0.04 0.88 0.73 1t2aA1 ILE 97 H -0.04 0.61 -0.11 -0.55 8.25 8.15 1t2aA1 ILE 97 HA -0.08 -0.00 0.37 -0.75 4.18 3.72 1t2aA1 ILE 97 HB -0.01 0.06 0.08 -0.04 1.89 1.98 1t2aA1 ILE 97 HG12 -0.01 -0.02 -0.05 -0.04 1.49 1.37 1t2aA1 ILE 97 HG13 -0.02 -0.04 0.01 -0.04 1.21 1.12 1t2aA1 ILE 97 HG23 -0.00 0.01 -0.13 -0.04 0.93 0.77 1t2aA1 ILE 97 HD13 0.03 -0.04 -0.14 -0.04 0.88 0.69 1t2aA1 ASN 98 H -0.03 0.53 -0.30 -0.55 8.53 8.19 1t2aA1 ASN 98 HA -0.02 0.07 0.36 -0.75 4.76 4.41 1t2aA1 ASN 98 HB2 -0.01 0.09 0.15 -0.04 2.88 3.07 1t2aA1 ASN 98 HB3 -0.01 -0.05 -0.10 -0.04 2.79 2.60 1t2aA1 ASN 98 HD21 -0.00 -0.05 -0.06 -0.04 7.03 6.88 1t2aA1 ASN 98 HD22 -0.00 -0.08 -0.10 -0.04 7.74 7.53 1t2aA1 GLU 99 H -0.05 0.38 -0.19 -0.55 8.60 8.19 1t2aA1 GLU 99 HA -0.01 0.05 0.55 -0.75 4.29 4.12 1t2aA1 GLU 99 HB2 0.00 -0.06 0.09 -0.04 2.09 2.09 1t2aA1 GLU 99 HB3 -0.07 0.04 0.13 -0.04 1.99 2.05 1t2aA1 GLU 99 HG2 0.03 0.05 -0.36 -0.04 2.34 2.03 1t2aA1 GLU 99 HG3 0.04 -0.01 0.01 -0.04 2.34 2.33 1t2aA1 VAL 100 H -0.15 0.48 -0.12 -0.55 8.24 7.91 1t2aA1 VAL 100 HA -0.26 0.08 0.48 -0.75 4.13 3.67 1t2aA1 VAL 100 HB -0.22 0.01 0.03 -0.04 2.12 1.90 1t2aA1 VAL 100 HG13 -0.43 -0.02 -0.28 -0.04 0.97 0.19 1t2aA1 VAL 100 HG23 -0.51 -0.02 -0.08 -0.04 0.95 0.30 1t2aA1 LYS 101 H -0.07 0.60 -0.06 -0.55 8.42 8.33 1t2aA1 LYS 101 HA -0.02 0.01 0.28 -0.75 4.32 3.83 1t2aA1 LYS 101 HB2 -0.02 0.05 0.10 -0.04 1.87 1.97 1t2aA1 LYS 101 HB3 -0.01 -0.05 0.07 -0.04 1.79 1.76 1t2aA1 LYS 101 HG2 -0.03 0.02 -0.48 -0.04 1.46 0.93 1t2aA1 LYS 101 HG3 -0.01 -0.08 -0.12 -0.04 1.46 1.21 1t2aA1 LYS 101 HD2 -0.02 -0.00 0.04 -0.04 1.69 1.67 1t2aA1 LYS 101 HD3 -0.01 0.10 0.09 -0.04 1.68 1.81 1t2aA1 LYS 101 HE2 -0.00 -0.06 -0.00 -0.04 2.99 2.88 1t2aA1 LYS 101 HE3 -0.00 -0.01 -0.01 -0.04 2.99 2.93 1t2aA1 PRO 102 HA 0.03 0.13 0.34 -0.51 4.44 4.43 1t2aA1 PRO 102 HB2 0.06 0.06 -0.03 -0.04 2.28 2.33 1t2aA1 PRO 102 HB3 0.03 -0.06 -0.17 -0.04 2.02 1.77 1t2aA1 PRO 102 HG2 0.02 0.02 -0.12 -0.04 2.03 1.91 1t2aA1 PRO 102 HG3 -0.00 -0.11 -0.07 -0.04 2.03 1.81 1t2aA1 PRO 102 HD2 -0.02 0.11 0.09 -0.04 3.68 3.82 1t2aA1 PRO 102 HD3 -0.07 0.00 -0.03 -0.04 3.65 3.51 1t2aA1 THR 103 H 0.07 0.39 0.43 -0.55 8.28 8.62 1t2aA1 THR 103 HA 0.02 0.25 0.80 -0.75 4.39 4.71 1t2aA1 THR 103 HB 0.01 0.03 0.19 -0.04 4.32 4.50 1t2aA1 THR 103 HG23 0.00 0.10 0.10 -0.04 1.22 1.38 1t2aA1 GLU 104 H 0.11 0.37 0.27 -0.55 8.60 8.81 1t2aA1 GLU 104 HA -0.03 0.34 1.06 -0.75 4.29 4.91 1t2aA1 GLU 104 HB2 0.31 -0.11 0.00 -0.04 2.09 2.25 1t2aA1 GLU 104 HB3 -0.05 -0.05 -0.08 -0.04 1.99 1.76 1t2aA1 GLU 104 HG2 -0.01 0.13 -0.04 -0.04 2.34 2.38 1t2aA1 GLU 104 HG3 0.14 -0.03 -0.44 -0.04 2.34 1.97 1t2aA1 ILE 105 H -0.16 0.78 0.42 -0.55 8.25 8.74 1t2aA1 ILE 105 HA 0.00 0.23 1.12 -0.75 4.18 4.79 1t2aA1 ILE 105 HB -0.14 0.02 0.08 -0.04 1.89 1.82 1t2aA1 ILE 105 HG12 0.00 -0.03 -0.04 -0.04 1.49 1.39 1t2aA1 ILE 105 HG13 0.02 0.05 -0.39 -0.04 1.21 0.85 1t2aA1 ILE 105 HG23 -0.23 -0.04 -0.18 -0.04 0.93 0.43 1t2aA1 ILE 105 HD13 0.09 0.00 -0.12 -0.04 0.88 0.81 1t2aA1 TYR 106 H 0.15 0.69 0.39 -0.55 8.29 8.97 1t2aA1 TYR 106 HA -0.01 0.20 0.99 -0.75 4.56 4.98 1t2aA1 TYR 106 HB2 -0.02 -0.06 0.19 -0.04 3.06 3.13 1t2aA1 TYR 106 HB3 -0.00 -0.07 -0.05 -0.04 2.98 2.82 1t2aA1 TYR 106 HD2 -0.19 -0.01 -0.18 -0.04 7.15 6.73 1t2aA1 TYR 106 HE2 -0.06 0.01 -0.33 -0.04 6.85 6.42 1t2aA1 ASN 107 H -0.19 0.87 0.23 -0.55 8.53 8.91 1t2aA1 ASN 107 HA -0.03 -0.05 0.69 -0.75 4.76 4.62 1t2aA1 ASN 107 HB2 -0.31 0.07 0.08 -0.04 2.88 2.68 1t2aA1 ASN 107 HB3 -0.07 -0.02 0.35 -0.04 2.79 3.01 1t2aA1 ASN 107 HD21 0.07 0.04 -0.04 -0.04 7.03 7.06 1t2aA1 ASN 107 HD22 0.11 -0.01 0.07 -0.04 7.74 7.86 1t2aA1 LEU 108 H 0.08 0.50 0.18 -0.55 8.37 8.58 1t2aA1 LEU 108 HA 0.13 0.15 0.81 -0.75 4.35 4.69 1t2aA1 LEU 108 HB2 0.07 0.17 0.07 -0.04 1.64 1.91 1t2aA1 LEU 108 HB3 0.10 -0.16 0.09 -0.04 1.64 1.62 1t2aA1 LEU 108 HG 0.12 0.14 -0.18 -0.04 1.64 1.68 1t2aA1 LEU 108 HD13 0.00 -0.03 -0.20 -0.04 0.93 0.66 1t2aA1 LEU 108 HD23 0.22 0.01 -0.25 -0.04 0.89 0.83 1t2aA1 GLY 109 H 0.06 0.02 -0.23 -0.55 8.43 7.73 1t2aA1 GLY 109 HA2 0.07 -0.06 0.32 -0.51 4.01 3.84 1t2aA1 GLY 109 HA3 0.06 -0.05 0.18 -0.51 4.01 3.69 1t2aA1 ALA 110 H 0.09 0.18 0.20 -0.55 8.40 8.32 1t2aA1 ALA 110 HA 0.07 0.06 0.38 -0.75 4.34 4.09 1t2aA1 ALA 110 HB3 0.15 0.08 -0.26 -0.04 1.41 1.34 1t2aA1 GLN 111 H 0.11 0.22 0.05 -0.55 8.47 8.31 1t2aA1 GLN 111 HA 0.19 0.07 0.59 -0.75 4.36 4.46 1t2aA1 GLN 111 HB2 0.26 0.04 0.09 -0.04 2.15 2.50 1t2aA1 GLN 111 HB3 0.19 0.02 0.23 -0.04 2.02 2.41 1t2aA1 GLN 111 HG2 0.24 0.04 0.03 -0.04 2.40 2.68 1t2aA1 GLN 111 HG3 0.31 0.04 -0.03 -0.04 2.39 2.67 1t2aA1 GLN 111 HE21 0.13 0.30 -0.06 -0.04 6.97 7.29 1t2aA1 GLN 111 HE22 0.17 0.03 -0.10 -0.04 7.69 7.75 1t2aA1 SER 112 H 0.18 0.18 0.04 -0.55 8.46 8.32 1t2aA1 SER 112 HA 0.15 0.27 0.64 -0.75 4.49 4.80 1t2aA1 SER 112 HB2 0.03 0.01 0.11 -0.04 3.95 4.07 1t2aA1 SER 112 HB3 0.13 0.12 -0.05 -0.04 3.93 4.09 1t2aA1 HIS 113 H 0.15 0.10 -0.20 -0.55 8.41 7.91 1t2aA1 HIS 113 HA 0.04 0.14 0.73 -0.75 4.63 4.79 1t2aA1 HIS 113 HB2 -0.13 0.03 0.02 -0.04 3.26 3.14 1t2aA1 HIS 113 HB3 -0.07 -0.01 0.07 -0.04 3.20 3.15 1t2aA1 HIS 113 HD2 -1.83 -0.04 -0.16 -0.04 6.97 4.90 1t2aA1 HIS 113 HE1 -0.07 0.12 0.05 -0.04 7.75 7.81 1t2aA1 VAL 114 H -0.42 0.19 0.20 -0.55 8.24 7.66 1t2aA1 VAL 114 HA -0.09 0.05 0.32 -0.75 4.13 3.66 1t2aA1 VAL 114 HB -0.11 -0.01 0.17 -0.04 2.12 2.13 1t2aA1 VAL 114 HG13 0.17 0.01 -0.10 -0.04 0.97 1.01 1t2aA1 VAL 114 HG23 -0.16 0.02 0.02 -0.04 0.95 0.79 1t2aA1 LYS 115 H -0.05 0.09 0.01 -0.55 8.42 7.92 1t2aA1 LYS 115 HA 0.36 0.14 0.41 -0.75 4.32 4.47 1t2aA1 LYS 115 HB2 0.21 0.03 0.10 -0.04 1.87 2.16 1t2aA1 LYS 115 HB3 0.44 -0.09 0.08 -0.04 1.79 2.18 1t2aA1 LYS 115 HG2 0.19 0.08 -0.01 -0.04 1.46 1.68 1t2aA1 LYS 115 HG3 0.15 -0.02 -0.19 -0.04 1.46 1.35 1t2aA1 LYS 115 HD2 0.11 -0.13 0.11 -0.04 1.69 1.73 1t2aA1 LYS 115 HD3 0.07 0.06 -0.09 -0.04 1.68 1.67 1t2aA1 LYS 115 HE2 0.05 0.19 0.09 -0.04 2.99 3.29 1t2aA1 LYS 115 HE3 0.04 -0.12 0.02 -0.04 2.99 2.89 1t2aA1 ILE 116 H 0.49 0.00 -0.30 -0.55 8.25 7.90 1t2aA1 ILE 116 HA 0.11 0.14 0.44 -0.75 4.18 4.11 1t2aA1 ILE 116 HB 0.10 -0.03 0.03 -0.04 1.89 1.95 1t2aA1 ILE 116 HG12 -0.06 0.10 0.01 -0.04 1.49 1.49 1t2aA1 ILE 116 HG13 -0.18 -0.08 0.00 -0.04 1.21 0.90 1t2aA1 ILE 116 HG23 0.04 0.01 -0.07 -0.04 0.93 0.86 1t2aA1 ILE 116 HD13 -0.25 0.00 -0.00 -0.04 0.88 0.59 1t2aA1 SER 117 H 0.13 0.30 -0.44 -0.55 8.46 7.90 1t2aA1 SER 117 HA 0.08 0.04 0.14 -0.75 4.49 4.00 1t2aA1 SER 117 HB2 0.03 -0.05 -0.02 -0.04 3.95 3.87 1t2aA1 SER 117 HB3 0.09 0.13 0.06 -0.04 3.93 4.17 1t2aA1 PHE 118 H 0.28 0.48 -0.33 -0.55 8.34 8.22 1t2aA1 PHE 118 HA 0.06 0.02 0.50 -0.75 4.62 4.44 1t2aA1 PHE 118 HB2 0.05 0.19 0.21 -0.04 3.15 3.56 1t2aA1 PHE 118 HB3 0.04 0.01 0.11 -0.04 3.06 3.18 1t2aA1 PHE 118 HD2 0.05 0.09 0.16 -0.04 7.28 7.54 1t2aA1 PHE 118 HE2 0.05 -0.01 0.02 -0.04 7.38 7.39 1t2aA1 PHE 118 HZ 0.05 0.36 0.21 -0.04 7.32 7.90 1t2aA1 ASP 119 H 0.16 0.35 -0.11 -0.55 8.40 8.25 1t2aA1 ASP 119 HA 0.09 0.24 1.00 -0.75 4.63 5.21 1t2aA1 ASP 119 HB2 0.08 0.02 0.11 -0.04 2.71 2.88 1t2aA1 ASP 119 HB3 0.05 -0.01 0.16 -0.04 2.70 2.86 1t2aA1 LEU 120 H 0.08 0.29 -0.27 -0.55 8.37 7.92 1t2aA1 LEU 120 HA 0.07 0.14 0.78 -0.75 4.35 4.59 1t2aA1 LEU 120 HB2 0.05 0.09 -0.07 -0.04 1.64 1.68 1t2aA1 LEU 120 HB3 0.11 -0.05 0.05 -0.04 1.64 1.71 1t2aA1 LEU 120 HG 0.20 -0.19 0.08 -0.04 1.64 1.68 1t2aA1 LEU 120 HD13 -0.05 0.03 0.04 -0.04 0.93 0.91 1t2aA1 LEU 120 HD23 -0.03 -0.00 -0.02 -0.04 0.89 0.79 1t2aA1 ALA 121 H 0.05 0.28 -0.24 -0.55 8.40 7.94 1t2aA1 ALA 121 HA 0.01 0.10 0.38 -0.75 4.34 4.07 1t2aA1 ALA 121 HB3 0.00 0.05 0.11 -0.04 1.41 1.53 1t2aA1 GLU 122 H 0.05 0.16 -0.06 -0.55 8.60 8.20 1t2aA1 GLU 122 HA -0.00 0.14 0.44 -0.75 4.29 4.12 1t2aA1 GLU 122 HB2 0.02 0.07 0.09 -0.04 2.09 2.23 1t2aA1 GLU 122 HB3 0.05 -0.00 0.10 -0.04 1.99 2.09 1t2aA1 GLU 122 HG2 0.03 -0.03 -0.26 -0.04 2.34 2.03 1t2aA1 GLU 122 HG3 -0.01 0.01 0.04 -0.04 2.34 2.35 1t2aA1 TYR 123 H 0.16 0.11 -0.18 -0.55 8.29 7.83 1t2aA1 TYR 123 HA 0.00 0.10 0.40 -0.75 4.56 4.30 1t2aA1 TYR 123 HB2 0.01 0.05 0.09 -0.04 3.06 3.17 1t2aA1 TYR 123 HB3 0.02 0.06 0.08 -0.04 2.98 3.09 1t2aA1 TYR 123 HD2 0.02 0.03 -0.07 -0.04 7.15 7.09 1t2aA1 TYR 123 HE2 0.03 -0.01 -0.03 -0.04 6.85 6.79 1t2aA1 THR 124 H 0.12 0.50 -0.27 -0.55 8.28 8.08 1t2aA1 THR 124 HA -0.00 -0.06 0.38 -0.75 4.39 3.96 1t2aA1 THR 124 HB 0.04 0.14 0.10 -0.04 4.32 4.56 1t2aA1 THR 124 HG23 0.11 -0.02 -0.11 -0.04 1.22 1.17 1t2aA1 ALA 125 H -0.03 0.53 -0.17 -0.55 8.40 8.18 1t2aA1 ALA 125 HA -0.08 -0.01 0.55 -0.75 4.34 4.05 1t2aA1 ALA 125 HB3 -0.08 0.05 0.16 -0.04 1.41 1.51 1t2aA1 ASP 126 H -0.11 0.59 -0.11 -0.55 8.40 8.22 1t2aA1 ASP 126 HA -0.11 -0.00 0.36 -0.75 4.63 4.12 1t2aA1 ASP 126 HB2 -0.08 0.09 0.14 -0.04 2.71 2.83 1t2aA1 ASP 126 HB3 -0.18 0.01 0.13 -0.04 2.70 2.63 1t2aA1 VAL 127 H -0.27 0.43 -0.20 -0.55 8.24 7.65 1t2aA1 VAL 127 HA -0.14 0.12 0.40 -0.75 4.13 3.75 1t2aA1 VAL 127 HB -0.28 0.01 0.13 -0.04 2.12 1.93 1t2aA1 VAL 127 HG13 -0.04 -0.02 -0.25 -0.04 0.97 0.62 1t2aA1 VAL 127 HG23 -0.75 0.01 -0.04 -0.04 0.95 0.12 1t2aA1 ASP 128 H -0.09 0.60 0.09 -0.55 8.40 8.46 1t2aA1 ASP 128 HA -0.00 0.16 0.51 -0.75 4.63 4.53 1t2aA1 ASP 128 HB2 -0.05 0.10 0.10 -0.04 2.71 2.82 1t2aA1 ASP 128 HB3 -0.07 -0.01 -0.04 -0.04 2.70 2.54 1t2aA1 GLY 129 H -0.06 0.39 -0.03 -0.55 8.43 8.18 1t2aA1 GLY 129 HA2 0.16 0.21 0.84 -0.51 4.01 4.72 1t2aA1 GLY 129 HA3 -0.02 0.02 0.43 -0.51 4.01 3.93 1t2aA1 VAL 130 H -0.13 0.49 0.16 -0.55 8.24 8.21 1t2aA1 VAL 130 HA 0.00 0.04 0.34 -0.75 4.13 3.75 1t2aA1 VAL 130 HB -0.08 0.18 0.17 -0.04 2.12 2.34 1t2aA1 VAL 130 HG13 -0.03 -0.01 0.01 -0.04 0.97 0.90 1t2aA1 VAL 130 HG23 -0.24 0.01 0.01 -0.04 0.95 0.70 1t2aA1 GLY 131 H -0.03 0.16 -0.47 -0.55 8.43 7.53 1t2aA1 GLY 131 HA2 -0.00 0.13 0.47 -0.51 4.01 4.09 1t2aA1 GLY 131 HA3 -0.01 0.15 0.33 -0.51 4.01 3.96 1t2aA1 THR 132 H 0.06 0.32 -0.58 -0.55 8.28 7.52 1t2aA1 THR 132 HA 0.08 0.02 0.52 -0.75 4.39 4.25 1t2aA1 THR 132 HB 0.08 0.17 0.15 -0.04 4.32 4.67 1t2aA1 THR 132 HG23 0.01 -0.01 -0.08 -0.04 1.22 1.10 1t2aA1 LEU 133 H 0.12 0.31 -0.14 -0.55 8.37 8.10 1t2aA1 LEU 133 HA -0.09 0.04 0.36 -0.75 4.35 3.91 1t2aA1 LEU 133 HB2 0.27 -0.02 0.08 -0.04 1.64 1.92 1t2aA1 LEU 133 HB3 0.14 0.19 0.20 -0.04 1.64 2.13 1t2aA1 LEU 133 HG 0.09 -0.01 -0.36 -0.04 1.64 1.32 1t2aA1 LEU 133 HD13 0.24 -0.01 0.01 -0.04 0.93 1.13 1t2aA1 LEU 133 HD23 0.16 -0.01 -0.02 -0.04 0.89 0.98 1t2aA1 ARG 134 H 0.02 0.56 -0.13 -0.55 8.46 8.37 1t2aA1 ARG 134 HA 0.01 0.01 0.37 -0.75 4.34 3.98 1t2aA1 ARG 134 HB2 0.01 0.17 0.10 -0.04 1.90 2.14 1t2aA1 ARG 134 HB3 0.01 -0.12 -0.08 -0.04 1.80 1.57 1t2aA1 ARG 134 HG2 0.02 -0.04 -0.01 -0.04 1.67 1.60 1t2aA1 ARG 134 HG3 0.01 0.17 -0.03 -0.04 1.67 1.78 1t2aA1 ARG 134 HD2 0.01 -0.15 -0.22 -0.04 3.22 2.81 1t2aA1 ARG 134 HD3 0.01 -0.04 -0.07 -0.04 3.22 3.08 1t2aA1 LEU 135 H 0.01 0.56 -0.20 -0.55 8.37 8.19 1t2aA1 LEU 135 HA 0.03 -0.00 0.46 -0.75 4.35 4.09 1t2aA1 LEU 135 HB2 0.07 0.01 0.12 -0.04 1.64 1.80 1t2aA1 LEU 135 HB3 0.17 0.11 0.10 -0.04 1.64 1.99 1t2aA1 LEU 135 HG 0.24 0.05 -0.12 -0.04 1.64 1.76 1t2aA1 LEU 135 HD13 0.05 -0.02 -0.03 -0.04 0.93 0.89 1t2aA1 LEU 135 HD23 0.06 -0.02 -0.07 -0.04 0.89 0.82 1t2aA1 LEU 136 H -0.21 0.56 -0.16 -0.55 8.37 8.02 1t2aA1 LEU 136 HA -0.44 0.06 0.39 -0.75 4.35 3.60 1t2aA1 LEU 136 HB2 -0.95 0.05 0.14 -0.04 1.64 0.84 1t2aA1 LEU 136 HB3 -2.20 -0.01 -0.05 -0.04 1.64 -0.66 1t2aA1 LEU 136 HG -0.67 0.03 -0.00 -0.04 1.64 0.95 1t2aA1 LEU 136 HD13 -0.56 -0.02 -0.23 -0.04 0.93 0.08 1t2aA1 LEU 136 HD23 -1.32 -0.00 -0.07 -0.04 0.89 -0.55 1t2aA1 ASP 137 H -0.17 0.75 -0.06 -0.55 8.40 8.37 1t2aA1 ASP 137 HA 0.14 0.04 0.45 -0.75 4.63 4.51 1t2aA1 ASP 137 HB2 0.04 0.12 0.14 -0.04 2.71 2.97 1t2aA1 ASP 137 HB3 0.05 -0.05 -0.02 -0.04 2.70 2.63 1t2aA1 ALA 138 H -0.02 0.46 -0.41 -0.55 8.40 7.89 1t2aA1 ALA 138 HA 0.01 -0.02 0.37 -0.75 4.34 3.94 1t2aA1 ALA 138 HB3 0.01 0.03 -0.05 -0.04 1.41 1.36 1t2aA1 VAL 139 H -0.01 0.50 -0.19 -0.55 8.24 7.99 1t2aA1 VAL 139 HA 0.02 0.05 0.35 -0.75 4.13 3.80 1t2aA1 VAL 139 HB -0.03 0.16 0.12 -0.04 2.12 2.32 1t2aA1 VAL 139 HG13 0.05 -0.01 -0.34 -0.04 0.97 0.63 1t2aA1 VAL 139 HG23 0.14 0.03 -0.05 -0.04 0.95 1.02 1t2aA1 LYS 140 H 0.02 0.46 -0.31 -0.55 8.42 8.03 1t2aA1 LYS 140 HA 0.00 -0.03 0.35 -0.75 4.32 3.89 1t2aA1 LYS 140 HB2 0.13 0.05 0.08 -0.04 1.87 2.09 1t2aA1 LYS 140 HB3 0.03 0.06 0.12 -0.04 1.79 1.96 1t2aA1 LYS 140 HG2 -0.13 -0.01 -0.12 -0.04 1.46 1.16 1t2aA1 LYS 140 HG3 -0.14 -0.01 0.03 -0.04 1.46 1.29 1t2aA1 LYS 140 HD2 -0.68 0.03 -0.02 -0.04 1.69 0.97 1t2aA1 LYS 140 HD3 -0.23 -0.03 -0.02 -0.04 1.68 1.35 1t2aA1 LYS 140 HE2 -1.71 0.01 -0.04 -0.04 2.99 1.21 1t2aA1 LYS 140 HE3 -0.45 -0.04 -0.03 -0.04 2.99 2.43 1t2aA1 THR 141 H 0.01 0.64 -0.03 -0.55 8.28 8.35 1t2aA1 THR 141 HA -0.01 -0.01 0.39 -0.75 4.39 4.01 1t2aA1 THR 141 HB 0.00 0.06 0.16 -0.04 4.32 4.50 1t2aA1 THR 141 HG23 0.00 -0.02 -0.08 -0.04 1.22 1.07 1t2aA1 CYS 142 H 0.00 0.49 -0.39 -0.55 8.50 8.05 1t2aA1 CYS 142 HA -0.00 0.04 0.42 -0.75 4.58 4.28 1t2aA1 CYS 142 HB2 0.00 0.06 0.07 -0.04 2.97 3.06 1t2aA1 CYS 142 HB3 -0.00 0.02 0.04 -0.04 2.97 2.98 1t2aA1 GLY 143 H -0.00 0.44 -0.56 -0.55 8.43 7.75 1t2aA1 GLY 143 HA2 -0.01 0.00 0.33 -0.51 4.01 3.82 1t2aA1 GLY 143 HA3 -0.00 0.06 0.46 -0.51 4.01 4.02 1t2aA1 LEU 144 H 0.01 0.48 -0.13 -0.55 8.37 8.18 1t2aA1 LEU 144 HA 0.02 0.19 0.82 -0.75 4.35 4.63 1t2aA1 LEU 144 HB2 0.03 -0.02 -0.00 -0.04 1.64 1.60 1t2aA1 LEU 144 HB3 0.03 0.00 0.10 -0.04 1.64 1.72 1t2aA1 LEU 144 HG 0.01 0.07 -0.30 -0.04 1.64 1.38 1t2aA1 LEU 144 HD13 0.00 0.02 -0.07 -0.04 0.93 0.84 1t2aA1 LEU 144 HD23 0.01 0.04 -0.16 -0.04 0.89 0.73 1t2aA1 ILE 145 H 0.02 0.14 -0.23 -0.55 8.25 7.64 1t2aA1 ILE 145 HA 0.06 0.03 0.20 -0.75 4.18 3.72 1t2aA1 ILE 145 HB 0.02 -0.06 0.04 -0.04 1.89 1.84 1t2aA1 ILE 145 HG12 0.13 0.05 -0.05 -0.04 1.49 1.58 1t2aA1 ILE 145 HG13 0.12 0.06 -0.06 -0.04 1.21 1.30 1t2aA1 ILE 145 HG23 0.03 0.02 -0.13 -0.04 0.93 0.81 1t2aA1 ILE 145 HD13 0.17 -0.04 -0.06 -0.04 0.88 0.90 1t2aA1 ASN 146 H 0.03 0.04 -0.31 -0.55 8.53 7.75 1t2aA1 ASN 146 HA 0.06 0.31 0.90 -0.75 4.76 5.28 1t2aA1 ASN 146 HB2 0.03 -0.03 0.00 -0.04 2.88 2.84 1t2aA1 ASN 146 HB3 0.04 0.01 0.11 -0.04 2.79 2.90 1t2aA1 ASN 146 HD21 0.03 -0.02 -0.02 -0.04 7.03 6.97 1t2aA1 ASN 146 HD22 0.02 0.00 -0.01 -0.04 7.74 7.72 1t2aA1 SER 147 H 0.03 0.09 -0.18 -0.55 8.46 7.85 1t2aA1 SER 147 HA 0.01 0.26 1.15 -0.75 4.49 5.16 1t2aA1 SER 147 HB2 0.01 0.02 0.09 -0.04 3.95 4.03 1t2aA1 SER 147 HB3 0.01 -0.08 0.00 -0.04 3.93 3.82 1t2aA1 VAL 148 H 0.05 0.32 0.05 -0.55 8.24 8.10 1t2aA1 VAL 148 HA 0.02 0.34 0.98 -0.75 4.13 4.71 1t2aA1 VAL 148 HB 0.06 -0.08 -0.16 -0.04 2.12 1.90 1t2aA1 VAL 148 HG13 0.04 0.09 -0.05 -0.04 0.97 1.01 1t2aA1 VAL 148 HG23 0.11 0.01 -0.21 -0.04 0.95 0.81 1t2aA1 LYS 149 H -0.00 0.50 0.33 -0.55 8.42 8.69 1t2aA1 LYS 149 HA 0.16 0.29 0.95 -0.75 4.32 4.96 1t2aA1 LYS 149 HB2 -0.14 -0.08 0.22 -0.04 1.87 1.83 1t2aA1 LYS 149 HB3 -0.16 -0.06 0.04 -0.04 1.79 1.57 1t2aA1 LYS 149 HG2 -0.74 0.00 -0.01 -0.04 1.46 0.67 1t2aA1 LYS 149 HG3 -0.23 0.07 -0.12 -0.04 1.46 1.13 1t2aA1 LYS 149 HD2 -0.30 -0.13 0.03 -0.04 1.69 1.26 1t2aA1 LYS 149 HD3 -0.84 0.15 0.09 -0.04 1.68 1.04 1t2aA1 LYS 149 HE2 -0.27 -0.05 0.01 -0.04 2.99 2.64 1t2aA1 LYS 149 HE3 -0.35 0.02 0.04 -0.04 2.99 2.66 1t2aA1 PHE 150 H 0.33 0.79 0.36 -0.55 8.34 9.27 1t2aA1 PHE 150 HA -0.05 0.17 0.95 -0.75 4.62 4.93 1t2aA1 PHE 150 HB2 -0.00 0.05 -0.18 -0.04 3.15 2.99 1t2aA1 PHE 150 HB3 0.00 -0.00 0.12 -0.04 3.06 3.14 1t2aA1 PHE 150 HD2 -0.07 -0.01 -0.32 -0.04 7.28 6.84 1t2aA1 PHE 150 HE2 -0.10 -0.06 -0.22 -0.04 7.38 6.96 1t2aA1 PHE 150 HZ -0.09 -0.06 -0.06 -0.04 7.32 7.07 1t2aA1 TYR 151 H -0.36 0.75 0.45 -0.55 8.29 8.57 1t2aA1 TYR 151 HA 0.00 0.23 1.10 -0.75 4.56 5.14 1t2aA1 TYR 151 HB2 -0.24 0.13 -0.01 -0.04 3.06 2.90 1t2aA1 TYR 151 HB3 -0.34 -0.07 0.24 -0.04 2.98 2.76 1t2aA1 TYR 151 HD2 0.05 -0.01 -0.20 -0.04 7.15 6.95 1t2aA1 TYR 151 HE2 0.04 -0.05 -0.14 -0.04 6.85 6.66 1t2aA1 GLN 152 H -0.42 0.79 0.38 -0.55 8.47 8.68 1t2aA1 GLN 152 HA -0.11 0.13 0.99 -0.75 4.36 4.62 1t2aA1 GLN 152 HB2 0.15 0.04 -0.01 -0.04 2.15 2.29 1t2aA1 GLN 152 HB3 -0.18 0.08 0.17 -0.04 2.02 2.05 1t2aA1 GLN 152 HG2 -0.11 0.02 -0.19 -0.04 2.40 2.08 1t2aA1 GLN 152 HG3 -0.14 -0.12 -0.44 -0.04 2.39 1.66 1t2aA1 GLN 152 HE21 0.00 0.05 -0.00 -0.04 6.97 6.98 1t2aA1 GLN 152 HE22 -0.05 -0.05 -0.19 -0.04 7.69 7.35 1t2aA1 ALA 153 H -0.03 0.44 0.20 -0.55 8.40 8.46 1t2aA1 ALA 153 HA 0.09 0.06 0.66 -0.75 4.34 4.39 1t2aA1 ALA 153 HB3 0.16 -0.02 0.20 -0.04 1.41 1.71 1t2aA1 SER 154 H -0.14 0.39 0.20 -0.55 8.46 8.36 1t2aA1 SER 154 HA -0.09 0.05 0.59 -0.75 4.49 4.28 1t2aA1 SER 154 HB2 -0.06 0.06 -0.20 -0.04 3.95 3.70 1t2aA1 SER 154 HB3 -0.06 -0.14 0.02 -0.04 3.93 3.70 1t2aA1 THR 155 H -0.19 0.23 0.17 -0.55 8.28 7.94 1t2aA1 THR 155 HA -0.01 0.32 0.94 -0.75 4.39 4.89 1t2aA1 THR 155 HB 0.07 0.25 -0.31 -0.04 4.32 4.29 1t2aA1 THR 155 HG23 -0.15 -0.03 -0.07 -0.04 1.22 0.93 1t2aA1 SER 156 H -0.22 0.63 0.13 -0.55 8.46 8.45 1t2aA1 SER 156 HA -0.37 0.14 0.40 -0.75 4.49 3.90 1t2aA1 SER 156 HB2 -1.12 0.01 0.07 -0.04 3.95 2.87 1t2aA1 SER 156 HB3 -2.43 0.06 -0.02 -0.04 3.93 1.49 1t2aA1 GLU 157 H -0.09 0.10 -0.38 -0.55 8.60 7.69 1t2aA1 GLU 157 HA -0.01 0.09 0.39 -0.75 4.29 4.00 1t2aA1 GLU 157 HB2 0.12 0.06 -0.06 -0.04 2.09 2.16 1t2aA1 GLU 157 HB3 0.09 -0.05 -0.05 -0.04 1.99 1.94 1t2aA1 GLU 157 HG2 0.10 -0.00 0.01 -0.04 2.34 2.41 1t2aA1 GLU 157 HG3 0.25 -0.02 -0.02 -0.04 2.34 2.51 1t2aA1 LEU 158 H -0.32 0.46 -0.41 -0.55 8.37 7.55 1t2aA1 LEU 158 HA -0.31 0.02 0.41 -0.75 4.35 3.71 1t2aA1 LEU 158 HB2 -0.94 0.07 0.03 -0.04 1.64 0.75 1t2aA1 LEU 158 HB3 -1.51 0.03 -0.01 -0.04 1.64 0.11 1t2aA1 LEU 158 HG -0.46 -0.07 0.08 -0.04 1.64 1.15 1t2aA1 LEU 158 HD13 -0.94 0.02 0.01 -0.04 0.93 -0.02 1t2aA1 LEU 158 HD23 -0.50 -0.00 -0.15 -0.04 0.89 0.20 1t2aA1 TYR 159 H -0.20 0.35 -0.30 -0.55 8.29 7.59 1t2aA1 TYR 159 HA 0.24 0.13 0.48 -0.75 4.56 4.65 1t2aA1 TYR 159 HB2 0.05 0.04 0.01 -0.04 3.06 3.11 1t2aA1 TYR 159 HB3 0.12 -0.02 -0.03 -0.04 2.98 3.00 1t2aA1 TYR 159 HD2 0.02 0.08 -0.07 -0.04 7.15 7.14 1t2aA1 TYR 159 HE2 0.12 0.16 -0.14 -0.04 6.85 6.94 1t2aA1 GLY 160 H 0.09 0.04 -0.34 -0.55 8.43 7.67 1t2aA1 GLY 160 HA2 0.07 -0.17 0.34 -0.51 4.01 3.74 1t2aA1 GLY 160 HA3 0.13 0.28 0.22 -0.51 4.01 4.13 1t2aA1 LYS 161 H 0.02 0.44 0.17 -0.55 8.42 8.50 1t2aA1 LYS 161 HA -0.11 -0.11 0.57 -0.75 4.32 3.92 1t2aA1 LYS 161 HB2 -0.33 -0.04 0.13 -0.04 1.87 1.59 1t2aA1 LYS 161 HB3 -1.02 0.06 0.23 -0.04 1.79 1.02 1t2aA1 LYS 161 HG2 -0.26 0.09 -0.08 -0.04 1.46 1.17 1t2aA1 LYS 161 HG3 -0.18 -0.08 0.06 -0.04 1.46 1.21 1t2aA1 LYS 161 HD2 -0.39 -0.01 0.03 -0.04 1.69 1.28 1t2aA1 LYS 161 HD3 -0.58 0.03 0.01 -0.04 1.68 1.09 1t2aA1 LYS 161 HE2 -0.10 -0.05 0.02 -0.04 2.99 2.81 1t2aA1 LYS 161 HE3 -0.08 -0.01 0.01 -0.04 2.99 2.86 1t2aA1 VAL 162 H 0.04 0.02 0.18 -0.55 8.24 7.94 1t2aA1 VAL 162 HA 0.13 0.19 0.06 -0.75 4.13 3.76 1t2aA1 VAL 162 HB 0.05 0.08 0.03 -0.04 2.12 2.24 1t2aA1 VAL 162 HG13 0.14 -0.02 0.04 -0.04 0.97 1.09 1t2aA1 VAL 162 HG23 0.13 -0.04 0.01 -0.04 0.95 1.00 1t2aA1 GLN 163 H 0.11 0.15 0.18 -0.55 8.47 8.36 1t2aA1 GLN 163 HA 0.04 0.16 0.71 -0.75 4.36 4.51 1t2aA1 GLN 163 HB2 0.09 0.04 0.11 -0.04 2.15 2.36 1t2aA1 GLN 163 HB3 0.07 -0.06 0.13 -0.04 2.02 2.12 1t2aA1 GLN 163 HG2 0.18 0.15 -0.02 -0.04 2.40 2.66 1t2aA1 GLN 163 HG3 0.21 -0.00 -0.09 -0.04 2.39 2.46 1t2aA1 GLN 163 HE21 -0.06 -0.13 -0.07 -0.04 6.97 6.67 1t2aA1 GLN 163 HE22 -0.11 0.44 -0.22 -0.04 7.69 7.76 1t2aA1 GLU 164 H 0.00 0.19 -0.02 -0.55 8.60 8.23 1t2aA1 GLU 164 HA -0.01 0.13 0.54 -0.75 4.29 4.19 1t2aA1 GLU 164 HB2 -0.05 -0.08 -0.03 -0.04 2.09 1.89 1t2aA1 GLU 164 HB3 -0.03 0.04 0.02 -0.04 1.99 1.98 1t2aA1 GLU 164 HG2 -0.01 0.13 -0.02 -0.04 2.34 2.40 1t2aA1 GLU 164 HG3 0.00 -0.09 -0.43 -0.04 2.34 1.79 1t2aA1 ILE 165 H -0.03 0.32 0.05 -0.55 8.25 8.04 1t2aA1 ILE 165 HA -0.04 0.02 0.62 -0.75 4.18 4.03 1t2aA1 ILE 165 HB -0.05 0.02 0.03 -0.04 1.89 1.85 1t2aA1 ILE 165 HG12 0.00 -0.01 -0.09 -0.04 1.49 1.35 1t2aA1 ILE 165 HG13 -0.00 0.01 -0.54 -0.04 1.21 0.63 1t2aA1 ILE 165 HG23 -0.07 -0.01 -0.15 -0.04 0.93 0.66 1t2aA1 ILE 165 HD13 -0.07 -0.01 -0.11 -0.04 0.88 0.64 1t2aA1 PRO 166 HA -0.06 0.06 0.30 -0.51 4.44 4.23 1t2aA1 PRO 166 HB2 -0.11 -0.00 -0.22 -0.04 2.28 1.90 1t2aA1 PRO 166 HB3 -0.08 0.01 -0.08 -0.04 2.02 1.83 1t2aA1 PRO 166 HG2 -0.06 -0.02 -0.16 -0.04 2.03 1.75 1t2aA1 PRO 166 HG3 -0.05 0.02 -0.03 -0.04 2.03 1.93 1t2aA1 PRO 166 HD2 -0.04 0.15 0.42 -0.04 3.68 4.17 1t2aA1 PRO 166 HD3 -0.05 0.09 0.06 -0.04 3.65 3.71 1t2aA1 GLN 167 H -0.11 0.63 0.32 -0.55 8.47 8.77 1t2aA1 GLN 167 HA -0.21 0.21 0.88 -0.75 4.36 4.48 1t2aA1 GLN 167 HB2 -0.07 -0.16 0.08 -0.04 2.15 1.96 1t2aA1 GLN 167 HB3 -1.32 0.10 0.00 -0.04 2.02 0.76 1t2aA1 GLN 167 HG2 -0.33 -0.00 0.03 -0.04 2.40 2.05 1t2aA1 GLN 167 HG3 -0.19 0.25 0.00 -0.04 2.39 2.41 1t2aA1 GLN 167 HE21 0.04 -0.12 0.04 -0.04 6.97 6.89 1t2aA1 GLN 167 HE22 -0.02 0.58 0.13 -0.04 7.69 8.35 1t2aA1 LYS 168 H -0.13 0.23 0.15 -0.55 8.42 8.11 1t2aA1 LYS 168 HA 0.03 0.21 0.98 -0.75 4.32 4.79 1t2aA1 LYS 168 HB2 0.01 -0.13 0.21 -0.04 1.87 1.92 1t2aA1 LYS 168 HB3 -0.02 0.06 -0.05 -0.04 1.79 1.74 1t2aA1 LYS 168 HG2 -0.04 0.11 -0.10 -0.04 1.46 1.39 1t2aA1 LYS 168 HG3 -0.02 -0.12 -0.15 -0.04 1.46 1.14 1t2aA1 LYS 168 HD2 -0.01 -0.02 -0.03 -0.04 1.69 1.60 1t2aA1 LYS 168 HD3 -0.01 -0.02 -0.02 -0.04 1.68 1.60 1t2aA1 LYS 168 HE2 -0.01 0.04 -0.04 -0.04 2.99 2.93 1t2aA1 LYS 168 HE3 -0.02 0.02 -0.07 -0.04 2.99 2.89 1t2aA1 GLU 169 H 0.06 0.14 0.18 -0.55 8.60 8.43 1t2aA1 GLU 169 HA 0.18 0.07 0.19 -0.75 4.29 3.98 1t2aA1 GLU 169 HB2 -0.01 -0.01 0.11 -0.04 2.09 2.15 1t2aA1 GLU 169 HB3 0.01 0.11 -0.01 -0.04 1.99 2.05 1t2aA1 GLU 169 HG2 -0.07 0.34 -0.00 -0.04 2.34 2.56 1t2aA1 GLU 169 HG3 0.10 -0.07 -0.05 -0.04 2.34 2.27 1t2aA1 THR 170 H 0.00 -0.02 -0.22 -0.55 8.28 7.49 1t2aA1 THR 170 HA -0.04 0.19 0.57 -0.75 4.39 4.36 1t2aA1 THR 170 HB -0.02 0.05 0.09 -0.04 4.32 4.40 1t2aA1 THR 170 HG23 -0.02 -0.01 -0.02 -0.04 1.22 1.14 1t2aA1 THR 171 H 0.01 0.34 -0.36 -0.55 8.28 7.72 1t2aA1 THR 171 HA -0.02 0.10 0.48 -0.75 4.39 4.19 1t2aA1 THR 171 HB -0.06 0.07 0.11 -0.04 4.32 4.40 1t2aA1 THR 171 HG23 -0.01 0.07 -0.07 -0.04 1.22 1.18 1t2aA1 PRO 172 HA -0.19 0.02 0.38 -0.51 4.44 4.13 1t2aA1 PRO 172 HB2 0.07 0.04 0.02 -0.04 2.28 2.36 1t2aA1 PRO 172 HB3 0.01 0.02 0.10 -0.04 2.02 2.11 1t2aA1 PRO 172 HG2 0.02 0.03 0.09 -0.04 2.03 2.13 1t2aA1 PRO 172 HG3 -0.01 0.07 0.10 -0.04 2.03 2.15 1t2aA1 PRO 172 HD2 0.03 0.02 0.15 -0.04 3.68 3.84 1t2aA1 PRO 172 HD3 -0.01 0.15 0.28 -0.04 3.65 4.03 1t2aA1 PHE 173 H -0.19 0.05 0.16 -0.55 8.34 7.81 1t2aA1 PHE 173 HA 0.07 0.04 0.49 -0.75 4.62 4.46 1t2aA1 PHE 173 HB2 0.01 -0.05 0.08 -0.04 3.15 3.15 1t2aA1 PHE 173 HB3 -0.09 0.10 0.06 -0.04 3.06 3.09 1t2aA1 PHE 173 HD2 -0.25 -0.01 -0.16 -0.04 7.28 6.82 1t2aA1 PHE 173 HE2 -1.11 -0.04 -0.07 -0.04 7.38 6.12 1t2aA1 PHE 173 HZ -0.79 -0.02 -0.04 -0.04 7.32 6.42 1t2aA1 TYR 174 H 0.30 0.38 0.06 -0.55 8.29 8.48 1t2aA1 TYR 174 HA 0.09 0.08 0.55 -0.75 4.56 4.53 1t2aA1 TYR 174 HB2 0.10 0.06 -0.22 -0.04 3.06 2.97 1t2aA1 TYR 174 HB3 0.10 0.07 0.12 -0.04 2.98 3.23 1t2aA1 TYR 174 HD2 0.06 0.01 -0.15 -0.04 7.15 7.03 1t2aA1 TYR 174 HE2 0.04 -0.03 -0.01 -0.04 6.85 6.81 1t2aA1 PRO 175 HA 0.07 0.10 0.42 -0.51 4.44 4.52 1t2aA1 PRO 175 HB2 -0.01 -0.13 -0.17 -0.04 2.28 1.93 1t2aA1 PRO 175 HB3 -0.05 0.03 -0.14 -0.04 2.02 1.81 1t2aA1 PRO 175 HG2 -0.02 0.04 -0.01 -0.04 2.03 2.00 1t2aA1 PRO 175 HG3 -0.01 0.04 -0.04 -0.04 2.03 1.98 1t2aA1 PRO 175 HD2 0.01 0.18 -0.00 -0.04 3.68 3.83 1t2aA1 PRO 175 HD3 0.06 0.16 0.00 -0.04 3.65 3.83 1t2aA1 ARG 176 H 0.08 0.03 0.18 -0.55 8.46 8.20 1t2aA1 ARG 176 HA 0.16 0.26 0.78 -0.75 4.34 4.78 1t2aA1 ARG 176 HB2 0.11 -0.12 0.04 -0.04 1.90 1.89 1t2aA1 ARG 176 HB3 0.14 0.16 0.08 -0.04 1.80 2.14 1t2aA1 ARG 176 HG2 0.22 0.16 -0.49 -0.04 1.67 1.52 1t2aA1 ARG 176 HG3 0.06 -0.08 -0.11 -0.04 1.67 1.50 1t2aA1 ARG 176 HD2 0.18 -0.00 0.01 -0.04 3.22 3.36 1t2aA1 ARG 176 HD3 0.10 0.04 -0.03 -0.04 3.22 3.29 1t2aA1 SER 177 H 0.02 0.18 0.05 -0.55 8.46 8.17 1t2aA1 SER 177 HA -0.23 0.26 0.47 -0.75 4.49 4.23 1t2aA1 SER 177 HB2 -0.63 0.07 0.16 -0.04 3.95 3.51 1t2aA1 SER 177 HB3 0.07 0.28 -0.08 -0.04 3.93 4.15 1t2aA1 PRO 178 HA -0.10 0.11 0.49 -0.51 4.44 4.44 1t2aA1 PRO 178 HB2 -0.13 0.06 0.01 -0.04 2.28 2.18 1t2aA1 PRO 178 HB3 -0.08 0.04 0.14 -0.04 2.02 2.07 1t2aA1 PRO 178 HG2 -0.21 0.19 0.07 -0.04 2.03 2.03 1t2aA1 PRO 178 HG3 -0.14 0.07 0.06 -0.04 2.03 1.97 1t2aA1 PRO 178 HD2 -1.01 0.07 0.00 -0.04 3.68 2.70 1t2aA1 PRO 178 HD3 -0.94 0.19 0.16 -0.04 3.65 3.02 1t2aA1 TYR 179 H -0.05 0.12 -0.27 -0.55 8.29 7.54 1t2aA1 TYR 179 HA -0.05 0.13 0.38 -0.75 4.56 4.28 1t2aA1 TYR 179 HB2 -0.03 0.06 -0.04 -0.04 3.06 3.01 1t2aA1 TYR 179 HB3 -0.07 -0.08 0.02 -0.04 2.98 2.81 1t2aA1 TYR 179 HD2 -0.01 0.04 -0.11 -0.04 7.15 7.04 1t2aA1 TYR 179 HE2 -0.01 -0.03 -0.07 -0.04 6.85 6.71 1t2aA1 GLY 180 H 0.02 0.05 -0.22 -0.55 8.43 7.74 1t2aA1 GLY 180 HA2 -0.27 0.04 0.23 -0.51 4.01 3.51 1t2aA1 GLY 180 HA3 -0.06 0.02 0.23 -0.51 4.01 3.68 1t2aA1 ALA 181 H -0.08 0.52 -0.15 -0.55 8.40 8.15 1t2aA1 ALA 181 HA -0.04 0.09 0.42 -0.75 4.34 4.06 1t2aA1 ALA 181 HB3 -0.04 0.03 0.06 -0.04 1.41 1.42 1t2aA1 ALA 182 H -0.10 0.49 -0.24 -0.55 8.40 8.00 1t2aA1 ALA 182 HA -0.02 0.03 0.45 -0.75 4.34 4.04 1t2aA1 ALA 182 HB3 -0.09 -0.00 0.07 -0.04 1.41 1.34 1t2aA1 LYS 183 H -0.29 0.53 -0.15 -0.55 8.42 7.95 1t2aA1 LYS 183 HA -0.15 0.13 0.45 -0.75 4.32 4.00 1t2aA1 LYS 183 HB2 -0.43 0.04 0.09 -0.04 1.87 1.52 1t2aA1 LYS 183 HB3 -0.30 -0.07 0.02 -0.04 1.79 1.40 1t2aA1 LYS 183 HG2 -0.68 0.01 0.01 -0.04 1.46 0.76 1t2aA1 LYS 183 HG3 -1.01 -0.12 -0.05 -0.04 1.46 0.23 1t2aA1 LYS 183 HD2 -0.16 0.04 0.07 -0.04 1.69 1.60 1t2aA1 LYS 183 HD3 -0.14 0.06 0.03 -0.04 1.68 1.58 1t2aA1 LYS 183 HE2 0.00 -0.09 -0.03 -0.04 2.99 2.83 1t2aA1 LYS 183 HE3 0.06 -0.10 -0.03 -0.04 2.99 2.88 1t2aA1 LEU 184 H -0.12 0.41 -0.38 -0.55 8.37 7.73 1t2aA1 LEU 184 HA -0.22 0.01 0.53 -0.75 4.35 3.93 1t2aA1 LEU 184 HB2 -0.11 0.15 0.18 -0.04 1.64 1.82 1t2aA1 LEU 184 HB3 0.05 0.08 0.09 -0.04 1.64 1.82 1t2aA1 LEU 184 HG -0.12 -0.01 0.03 -0.04 1.64 1.51 1t2aA1 LEU 184 HD13 0.11 0.00 -0.03 -0.04 0.93 0.97 1t2aA1 LEU 184 HD23 0.21 -0.01 0.05 -0.04 0.89 1.09 1t2aA1 TYR 185 H 0.14 0.49 -0.08 -0.55 8.29 8.29 1t2aA1 TYR 185 HA 0.13 0.05 0.46 -0.75 4.56 4.44 1t2aA1 TYR 185 HB2 0.01 0.01 0.13 -0.04 3.06 3.17 1t2aA1 TYR 185 HB3 -0.01 0.12 0.21 -0.04 2.98 3.26 1t2aA1 TYR 185 HD2 0.01 0.04 -0.11 -0.04 7.15 7.05 1t2aA1 TYR 185 HE2 0.02 0.02 -0.11 -0.04 6.85 6.75 1t2aA1 ALA 186 H 0.11 0.43 -0.21 -0.55 8.40 8.19 1t2aA1 ALA 186 HA -0.02 0.00 0.37 -0.75 4.34 3.95 1t2aA1 ALA 186 HB3 0.01 0.06 0.20 -0.04 1.41 1.64 1t2aA1 TYR 187 H -0.02 0.62 -0.11 -0.55 8.29 8.22 1t2aA1 TYR 187 HA -0.27 -0.02 0.41 -0.75 4.56 3.93 1t2aA1 TYR 187 HB2 -0.42 -0.02 0.16 -0.04 3.06 2.74 1t2aA1 TYR 187 HB3 -0.45 0.15 0.20 -0.04 2.98 2.84 1t2aA1 TYR 187 HD2 -1.16 -0.02 -0.17 -0.04 7.15 5.76 1t2aA1 TYR 187 HE2 -0.98 -0.01 -0.06 -0.04 6.85 5.77 1t2aA1 TRP 188 H 0.12 0.49 -0.27 -0.55 7.97 7.76 1t2aA1 TRP 188 HA -0.00 0.08 0.48 -0.75 4.62 4.42 1t2aA1 TRP 188 HB2 -0.07 0.10 0.14 -0.04 3.23 3.35 1t2aA1 TRP 188 HB3 -0.05 -0.03 0.03 -0.04 3.23 3.14 1t2aA1 TRP 188 HD1 0.04 0.11 0.01 -0.04 7.22 7.34 1t2aA1 TRP 188 HE1 0.18 -0.03 0.00 -0.04 10.20 10.31 1t2aA1 TRP 188 HE3 0.03 -0.04 0.05 -0.04 7.59 7.59 1t2aA1 TRP 188 HZ2 0.06 0.00 -0.01 -0.04 7.44 7.45 1t2aA1 TRP 188 HZ3 0.04 0.02 -0.01 -0.04 7.13 7.15 1t2aA1 TRP 188 HH2 0.07 0.02 -0.01 -0.04 7.19 7.23 1t2aA1 ILE 189 H -0.18 0.64 -0.02 -0.55 8.25 8.14 1t2aA1 ILE 189 HA -0.02 0.03 0.53 -0.75 4.18 3.96 1t2aA1 ILE 189 HB -0.71 0.09 0.09 -0.04 1.89 1.32 1t2aA1 ILE 189 HG12 0.00 0.00 0.05 -0.04 1.49 1.50 1t2aA1 ILE 189 HG13 0.05 -0.05 -0.00 -0.04 1.21 1.17 1t2aA1 ILE 189 HG23 -0.12 0.02 -0.09 -0.04 0.93 0.69 1t2aA1 ILE 189 HD13 0.31 -0.01 -0.01 -0.04 0.88 1.13 1t2aA1 VAL 190 H -0.16 0.51 -0.31 -0.55 8.24 7.73 1t2aA1 VAL 190 HA -0.23 0.02 0.42 -0.75 4.13 3.59 1t2aA1 VAL 190 HB -0.30 0.18 0.09 -0.04 2.12 2.04 1t2aA1 VAL 190 HG13 -0.22 -0.00 -0.36 -0.04 0.97 0.34 1t2aA1 VAL 190 HG23 -0.18 -0.01 -0.05 -0.04 0.95 0.68 1t2aA1 VAL 191 H -0.23 0.43 -0.13 -0.55 8.24 7.76 1t2aA1 VAL 191 HA -0.17 0.08 0.42 -0.75 4.13 3.70 1t2aA1 VAL 191 HB 0.12 0.08 0.19 -0.04 2.12 2.47 1t2aA1 VAL 191 HG13 0.11 -0.01 -0.08 -0.04 0.97 0.95 1t2aA1 VAL 191 HG23 -0.62 0.05 0.06 -0.04 0.95 0.40 1t2aA1 ASN 192 H 0.05 0.48 -0.28 -0.55 8.53 8.23 1t2aA1 ASN 192 HA -0.04 0.01 0.38 -0.75 4.76 4.35 1t2aA1 ASN 192 HB2 0.03 0.05 0.14 -0.04 2.88 3.06 1t2aA1 ASN 192 HB3 0.04 0.08 0.13 -0.04 2.79 2.99 1t2aA1 ASN 192 HD21 -0.14 0.00 0.02 -0.04 7.03 6.87 1t2aA1 ASN 192 HD22 -0.07 0.00 0.05 -0.04 7.74 7.68 1t2aA1 PHE 193 H 0.25 0.54 -0.15 -0.55 8.34 8.43 1t2aA1 PHE 193 HA 0.02 -0.01 0.46 -0.75 4.62 4.33 1t2aA1 PHE 193 HB2 -0.15 0.09 0.13 -0.04 3.15 3.19 1t2aA1 PHE 193 HB3 -0.05 0.01 -0.05 -0.04 3.06 2.94 1t2aA1 PHE 193 HD2 0.01 0.17 0.00 -0.04 7.28 7.42 1t2aA1 PHE 193 HE2 -0.03 -0.02 -0.10 -0.04 7.38 7.19 1t2aA1 PHE 193 HZ 0.01 -0.04 -0.09 -0.04 7.32 7.16 1t2aA1 ARG 194 H 0.00 0.48 -0.25 -0.55 8.46 8.14 1t2aA1 ARG 194 HA -0.01 0.22 0.53 -0.75 4.34 4.33 1t2aA1 ARG 194 HB2 -0.10 -0.02 0.15 -0.04 1.90 1.89 1t2aA1 ARG 194 HB3 -0.09 0.06 0.24 -0.04 1.80 1.97 1t2aA1 ARG 194 HG2 -0.09 -0.08 -0.14 -0.04 1.67 1.31 1t2aA1 ARG 194 HG3 -0.11 0.18 0.14 -0.04 1.67 1.84 1t2aA1 ARG 194 HD2 -0.20 0.08 0.10 -0.04 3.22 3.16 1t2aA1 ARG 194 HD3 -0.19 0.27 0.15 -0.04 3.22 3.41 1t2aA1 GLU 195 H -0.08 0.56 -0.00 -0.55 8.60 8.54 1t2aA1 GLU 195 HA -0.08 0.10 0.52 -0.75 4.29 4.08 1t2aA1 GLU 195 HB2 -0.09 0.00 0.13 -0.04 2.09 2.09 1t2aA1 GLU 195 HB3 -0.08 -0.05 0.01 -0.04 1.99 1.83 1t2aA1 GLU 195 HG2 -0.05 -0.00 0.02 -0.04 2.34 2.27 1t2aA1 GLU 195 HG3 -0.05 0.12 0.08 -0.04 2.34 2.45 1t2aA1 ALA 196 H -0.29 0.72 0.01 -0.55 8.40 8.29 1t2aA1 ALA 196 HA -0.34 0.05 0.54 -0.75 4.34 3.84 1t2aA1 ALA 196 HB3 -0.99 -0.04 0.08 -0.04 1.41 0.42 1t2aA1 TYR 197 H -0.24 0.40 -0.12 -0.55 8.29 7.79 1t2aA1 TYR 197 HA -0.05 0.22 0.95 -0.75 4.56 4.93 1t2aA1 TYR 197 HB2 -0.02 0.08 0.07 -0.04 3.06 3.15 1t2aA1 TYR 197 HB3 -0.03 -0.03 0.10 -0.04 2.98 2.98 1t2aA1 TYR 197 HD2 -0.33 0.05 -0.04 -0.04 7.15 6.79 1t2aA1 TYR 197 HE2 -0.62 -0.03 -0.06 -0.04 6.85 6.09 1t2aA1 ASN 198 H -0.02 0.27 -0.15 -0.55 8.53 8.09 1t2aA1 ASN 198 HA 0.01 0.15 0.35 -0.75 4.76 4.51 1t2aA1 ASN 198 HB2 0.03 -0.08 -0.26 -0.04 2.88 2.53 1t2aA1 ASN 198 HB3 0.06 0.07 0.20 -0.04 2.79 3.07 1t2aA1 ASN 198 HD21 0.03 -0.05 0.05 -0.04 7.03 7.01 1t2aA1 ASN 198 HD22 0.04 -0.01 0.05 -0.04 7.74 7.77 1t2aA1 LEU 199 H 0.10 0.14 -0.15 -0.55 8.37 7.91 1t2aA1 LEU 199 HA 0.11 0.38 0.59 -0.75 4.35 4.68 1t2aA1 LEU 199 HB2 0.16 -0.04 -0.05 -0.04 1.64 1.67 1t2aA1 LEU 199 HB3 0.10 -0.12 -0.26 -0.04 1.64 1.31 1t2aA1 LEU 199 HG 0.07 -0.01 -0.70 -0.04 1.64 0.97 1t2aA1 LEU 199 HD13 0.11 0.01 -0.04 -0.04 0.93 0.97 1t2aA1 LEU 199 HD23 -0.17 -0.06 -0.16 -0.04 0.89 0.46 1t2aA1 PHE 200 H 0.22 0.37 0.21 -0.55 8.34 8.58 1t2aA1 PHE 200 HA 0.01 0.07 0.64 -0.75 4.62 4.58 1t2aA1 PHE 200 HB2 0.02 0.09 0.16 -0.04 3.15 3.37 1t2aA1 PHE 200 HB3 0.03 0.05 0.33 -0.04 3.06 3.43 1t2aA1 PHE 200 HD2 0.01 -0.10 -0.11 -0.04 7.28 7.04 1t2aA1 PHE 200 HE2 0.00 0.04 -0.30 -0.04 7.38 7.09 1t2aA1 PHE 200 HZ -0.00 0.13 -0.31 -0.04 7.32 7.10 1t2aA1 ALA 201 H -0.14 0.39 0.20 -0.55 8.40 8.30 1t2aA1 ALA 201 HA 0.19 0.27 1.05 -0.75 4.34 5.09 1t2aA1 ALA 201 HB3 -0.09 -0.03 -0.15 -0.04 1.41 1.10 1t2aA1 VAL 202 H 0.07 0.56 0.34 -0.55 8.24 8.67 1t2aA1 VAL 202 HA -0.15 0.18 0.85 -0.75 4.13 4.26 1t2aA1 VAL 202 HB 0.03 0.15 -0.03 -0.04 2.12 2.23 1t2aA1 VAL 202 HG13 -0.07 0.03 -0.29 -0.04 0.97 0.60 1t2aA1 VAL 202 HG23 0.14 -0.00 -0.12 -0.04 0.95 0.93 1t2aA1 ASN 203 H -0.20 0.19 0.07 -0.55 8.53 8.05 1t2aA1 ASN 203 HA -0.31 0.19 1.03 -0.75 4.76 4.92 1t2aA1 ASN 203 HB2 -0.34 -0.02 0.15 -0.04 2.88 2.64 1t2aA1 ASN 203 HB3 -0.12 -0.06 -0.09 -0.04 2.79 2.47 1t2aA1 ASN 203 HD21 -0.88 0.26 0.07 -0.04 7.03 6.44 1t2aA1 ASN 203 HD22 -0.91 -0.01 -0.02 -0.04 7.74 6.76 1t2aA1 GLY 204 H -0.50 0.56 0.26 -0.55 8.43 8.20 1t2aA1 GLY 204 HA2 0.12 0.16 0.77 -0.51 4.01 4.56 1t2aA1 GLY 204 HA3 0.20 0.02 0.32 -0.51 4.01 4.03 1t2aA1 ILE 205 H 0.12 0.89 0.14 -0.55 8.25 8.85 1t2aA1 ILE 205 HA 0.03 0.01 0.31 -0.75 4.18 3.77 1t2aA1 ILE 205 HB 0.24 -0.07 -0.07 -0.04 1.89 1.94 1t2aA1 ILE 205 HG12 0.07 -0.02 -0.18 -0.04 1.49 1.32 1t2aA1 ILE 205 HG13 0.14 0.08 -0.30 -0.04 1.21 1.09 1t2aA1 ILE 205 HG23 0.09 -0.01 -0.30 -0.04 0.93 0.67 1t2aA1 ILE 205 HD13 0.28 0.01 -0.16 -0.04 0.88 0.97 1t2aA1 LEU 206 H 0.11 0.57 -0.21 -0.55 8.37 8.30 1t2aA1 LEU 206 HA 0.21 0.13 0.74 -0.75 4.35 4.67 1t2aA1 LEU 206 HB2 0.26 0.12 0.08 -0.04 1.64 2.05 1t2aA1 LEU 206 HB3 0.40 0.08 -0.05 -0.04 1.64 2.02 1t2aA1 LEU 206 HG -0.10 -0.03 -0.06 -0.04 1.64 1.41 1t2aA1 LEU 206 HD13 0.08 0.03 -0.32 -0.04 0.93 0.67 1t2aA1 LEU 206 HD23 -0.07 0.01 -0.10 -0.04 0.89 0.69 1t2aA1 PHE 207 H 0.61 0.62 0.37 -0.55 8.34 9.38 1t2aA1 PHE 207 HA 0.18 -0.06 0.79 -0.75 4.62 4.78 1t2aA1 PHE 207 HB2 0.25 0.04 0.28 -0.04 3.15 3.68 1t2aA1 PHE 207 HB3 0.16 0.06 0.23 -0.04 3.06 3.46 1t2aA1 PHE 207 HD2 0.11 0.09 -0.01 -0.04 7.28 7.42 1t2aA1 PHE 207 HE2 0.15 0.01 -0.13 -0.04 7.38 7.37 1t2aA1 PHE 207 HZ -0.06 0.11 -0.09 -0.04 7.32 7.24 1t2aA1 ASN 208 H 0.16 0.04 0.21 -0.55 8.53 8.40 1t2aA1 ASN 208 HA 0.03 0.01 0.35 -0.75 4.76 4.39 1t2aA1 ASN 208 HB2 -0.00 0.18 0.17 -0.04 2.88 3.18 1t2aA1 ASN 208 HB3 0.28 -0.04 -0.00 -0.04 2.79 2.99 1t2aA1 ASN 208 HD21 0.02 0.01 0.03 -0.04 7.03 7.05 1t2aA1 ASN 208 HD22 0.19 -0.04 0.02 -0.04 7.74 7.86 1t2aA1 HIS 209 H -0.37 0.22 0.22 -0.55 8.41 7.94 1t2aA1 HIS 209 HA -0.11 0.26 0.78 -0.75 4.63 4.81 1t2aA1 HIS 209 HB2 -0.47 -0.10 -0.32 -0.04 3.26 2.33 1t2aA1 HIS 209 HB3 -1.03 0.07 -0.24 -0.04 3.20 1.96 1t2aA1 HIS 209 HD2 -0.06 -0.08 -0.08 -0.04 6.97 6.70 1t2aA1 HIS 209 HE1 0.13 0.07 -0.07 -0.04 7.75 7.84 1t2aA1 GLU 210 H -0.07 0.63 0.38 -0.55 8.60 8.98 1t2aA1 GLU 210 HA -0.14 0.14 0.87 -0.75 4.29 4.41 1t2aA1 GLU 210 HB2 -0.13 0.09 -0.10 -0.04 2.09 1.90 1t2aA1 GLU 210 HB3 -0.15 -0.04 0.07 -0.04 1.99 1.83 1t2aA1 GLU 210 HG2 0.13 0.09 -0.17 -0.04 2.34 2.35 1t2aA1 GLU 210 HG3 -0.27 0.03 -0.14 -0.04 2.34 1.92 1t2aA1 SER 211 H -0.14 0.39 0.26 -0.55 8.46 8.43 1t2aA1 SER 211 HA -0.46 0.16 0.51 -0.75 4.49 3.94 1t2aA1 SER 211 HB2 -0.03 0.16 0.12 -0.04 3.95 4.15 1t2aA1 SER 211 HB3 -0.27 0.06 -0.36 -0.04 3.93 3.33 1t2aA1 PRO 212 HA -0.03 0.12 0.45 -0.51 4.44 4.47 1t2aA1 PRO 212 HB2 0.03 0.07 -0.02 -0.04 2.28 2.33 1t2aA1 PRO 212 HB3 -0.00 0.11 0.11 -0.04 2.02 2.19 1t2aA1 PRO 212 HG2 0.06 0.12 0.03 -0.04 2.03 2.19 1t2aA1 PRO 212 HG3 -0.00 0.09 -0.08 -0.04 2.03 2.00 1t2aA1 PRO 212 HD2 0.15 0.14 0.16 -0.04 3.68 4.09 1t2aA1 PRO 212 HD3 -0.02 0.07 0.16 -0.04 3.65 3.82 1t2aA1 ARG 213 H 0.07 -0.09 -0.58 -0.55 8.46 7.30 1t2aA1 ARG 213 HA -0.01 0.29 0.72 -0.75 4.34 4.59 1t2aA1 ARG 213 HB2 0.04 -0.11 -0.09 -0.04 1.90 1.70 1t2aA1 ARG 213 HB3 -0.05 0.03 0.07 -0.04 1.80 1.80 1t2aA1 ARG 213 HG2 -0.08 0.12 -0.11 -0.04 1.67 1.56 1t2aA1 ARG 213 HG3 0.03 -0.10 -0.11 -0.04 1.67 1.44 1t2aA1 ARG 213 HD2 -0.81 -0.06 -0.05 -0.04 3.22 2.27 1t2aA1 ARG 213 HD3 -0.28 0.06 -0.02 -0.04 3.22 2.94 1t2aA1 ARG 214 H -0.01 0.39 -0.23 -0.55 8.46 8.06 1t2aA1 ARG 214 HA -0.03 -0.06 0.45 -0.75 4.34 3.95 1t2aA1 ARG 214 HB2 -0.08 -0.20 0.23 -0.04 1.90 1.81 1t2aA1 ARG 214 HB3 -0.03 0.13 0.07 -0.04 1.80 1.93 1t2aA1 ARG 214 HG2 -0.06 -0.15 0.02 -0.04 1.67 1.44 1t2aA1 ARG 214 HG3 0.09 0.22 -0.13 -0.04 1.67 1.81 1t2aA1 ARG 214 HD2 -0.37 -0.10 0.17 -0.04 3.22 2.87 1t2aA1 ARG 214 HD3 -0.21 0.03 0.18 -0.04 3.22 3.18 1t2aA1 GLY 215 H 0.10 -0.00 0.20 -0.55 8.43 8.19 1t2aA1 GLY 215 HA2 0.12 0.16 0.34 -0.51 4.01 4.12 1t2aA1 GLY 215 HA3 0.36 -0.05 0.37 -0.51 4.01 4.18 1t2aA1 ALA 216 H 0.04 0.20 0.16 -0.55 8.40 8.25 1t2aA1 ALA 216 HA 0.01 0.12 0.27 -0.75 4.34 3.99 1t2aA1 ALA 216 HB3 -0.02 0.04 0.05 -0.04 1.41 1.44 1t2aA1 ASN 217 H -0.06 -0.03 -0.44 -0.55 8.53 7.45 1t2aA1 ASN 217 HA -0.12 0.18 0.47 -0.75 4.76 4.54 1t2aA1 ASN 217 HB2 -0.22 0.01 0.01 -0.04 2.88 2.64 1t2aA1 ASN 217 HB3 -0.51 -0.09 -0.12 -0.04 2.79 2.03 1t2aA1 ASN 217 HD21 -0.59 0.03 -0.01 -0.04 7.03 6.42 1t2aA1 ASN 217 HD22 -0.59 -0.04 -0.02 -0.04 7.74 7.04 1t2aA1 PHE 218 H 0.08 0.39 -0.25 -0.55 8.34 8.01 1t2aA1 PHE 218 HA 0.06 0.10 0.73 -0.75 4.62 4.76 1t2aA1 PHE 218 HB2 -0.03 0.11 0.08 -0.04 3.15 3.27 1t2aA1 PHE 218 HB3 -0.03 -0.09 0.10 -0.04 3.06 3.01 1t2aA1 PHE 218 HD2 -0.05 0.05 0.10 -0.04 7.28 7.34 1t2aA1 PHE 218 HE2 -0.10 0.03 0.04 -0.04 7.38 7.31 1t2aA1 PHE 218 HZ 0.03 -0.04 -0.22 -0.04 7.32 7.05 1t2aA1 VAL 219 H 0.13 0.12 0.13 -0.55 8.24 8.08 1t2aA1 VAL 219 HA -0.03 0.20 0.05 -0.75 4.13 3.60 1t2aA1 VAL 219 HB 0.07 0.02 0.12 -0.04 2.12 2.29 1t2aA1 VAL 219 HG13 0.11 -0.00 -0.07 -0.04 0.97 0.96 1t2aA1 VAL 219 HG23 0.03 0.02 -0.02 -0.04 0.95 0.94 1t2aA1 THR 220 H -0.19 0.02 -0.22 -0.55 8.28 7.35 1t2aA1 THR 220 HA -1.30 0.13 0.31 -0.75 4.39 2.78 1t2aA1 THR 220 HB -0.80 0.08 -0.08 -0.04 4.32 3.48 1t2aA1 THR 220 HG23 -1.26 0.00 -0.06 -0.04 1.22 -0.15 1t2aA1 ARG 221 H -0.11 0.05 -0.21 -0.55 8.46 7.63 1t2aA1 ARG 221 HA -0.09 0.07 0.42 -0.75 4.34 3.99 1t2aA1 ARG 221 HB2 -0.02 -0.15 -0.08 -0.04 1.90 1.60 1t2aA1 ARG 221 HB3 0.02 0.16 -0.10 -0.04 1.80 1.84 1t2aA1 ARG 221 HG2 0.01 0.18 -0.34 -0.04 1.67 1.48 1t2aA1 ARG 221 HG3 -0.04 -0.02 -0.11 -0.04 1.67 1.46 1t2aA1 ARG 221 HD2 -0.05 -0.12 0.00 -0.04 3.22 3.01 1t2aA1 ARG 221 HD3 -0.03 -0.02 -0.08 -0.04 3.22 3.05 1t2aA1 LYS 222 H -0.09 0.38 -0.33 -0.55 8.42 7.83 1t2aA1 LYS 222 HA -0.12 0.13 0.44 -0.75 4.32 4.02 1t2aA1 LYS 222 HB2 -0.07 0.10 -0.01 -0.04 1.87 1.84 1t2aA1 LYS 222 HB3 -0.07 0.00 0.02 -0.04 1.79 1.70 1t2aA1 LYS 222 HG2 -0.06 -0.02 -0.24 -0.04 1.46 1.10 1t2aA1 LYS 222 HG3 -0.10 0.02 0.02 -0.04 1.46 1.35 1t2aA1 LYS 222 HD2 -0.15 -0.01 -0.03 -0.04 1.69 1.45 1t2aA1 LYS 222 HD3 -0.10 -0.11 -0.06 -0.04 1.68 1.37 1t2aA1 LYS 222 HE2 0.05 0.07 -0.01 -0.04 2.99 3.06 1t2aA1 LYS 222 HE3 -0.11 -0.03 0.01 -0.04 2.99 2.82 1t2aA1 ILE 223 H -0.14 0.41 -0.28 -0.55 8.25 7.69 1t2aA1 ILE 223 HA -0.31 0.06 0.38 -0.75 4.18 3.56 1t2aA1 ILE 223 HB -0.04 0.09 0.14 -0.04 1.89 2.03 1t2aA1 ILE 223 HG12 -0.02 0.37 0.08 -0.04 1.49 1.89 1t2aA1 ILE 223 HG13 0.18 -0.10 -0.08 -0.04 1.21 1.16 1t2aA1 ILE 223 HG23 0.25 -0.00 -0.22 -0.04 0.93 0.91 1t2aA1 ILE 223 HD13 0.47 -0.02 -0.10 -0.04 0.88 1.19 1t2aA1 SER 224 H -0.06 0.55 -0.05 -0.55 8.46 8.35 1t2aA1 SER 224 HA -0.09 0.03 0.23 -0.75 4.49 3.90 1t2aA1 SER 224 HB2 -0.07 0.04 -0.34 -0.04 3.95 3.53 1t2aA1 SER 224 HB3 0.03 -0.04 -0.02 -0.04 3.93 3.86 1t2aA1 ARG 225 H -0.13 0.63 -0.23 -0.55 8.46 8.17 1t2aA1 ARG 225 HA -0.09 0.04 0.42 -0.75 4.34 3.95 1t2aA1 ARG 225 HB2 -0.13 0.10 0.12 -0.04 1.90 1.96 1t2aA1 ARG 225 HB3 -0.09 -0.03 -0.02 -0.04 1.80 1.62 1t2aA1 ARG 225 HG2 -0.06 -0.01 0.03 -0.04 1.67 1.59 1t2aA1 ARG 225 HG3 -0.07 -0.01 0.07 -0.04 1.67 1.61 1t2aA1 ARG 225 HD2 -0.03 -0.05 -0.02 -0.04 3.22 3.07 1t2aA1 ARG 225 HD3 -0.06 0.02 -0.06 -0.04 3.22 3.08 1t2aA1 SER 226 H -0.35 0.51 -0.23 -0.55 8.46 7.84 1t2aA1 SER 226 HA -0.23 0.04 0.40 -0.75 4.49 3.94 1t2aA1 SER 226 HB2 -1.49 0.01 0.09 -0.04 3.95 2.52 1t2aA1 SER 226 HB3 -0.97 -0.04 -0.10 -0.04 3.93 2.78 1t2aA1 VAL 227 H -0.37 0.68 -0.09 -0.55 8.24 7.90 1t2aA1 VAL 227 HA -0.33 0.03 0.36 -0.75 4.13 3.44 1t2aA1 VAL 227 HB -0.28 0.06 0.04 -0.04 2.12 1.90 1t2aA1 VAL 227 HG13 -0.39 0.00 -0.31 -0.04 0.97 0.23 1t2aA1 VAL 227 HG23 -0.74 -0.01 -0.07 -0.04 0.95 0.09 1t2aA1 ALA 228 H -0.14 0.57 -0.20 -0.55 8.40 8.09 1t2aA1 ALA 228 HA -0.00 0.02 0.43 -0.75 4.34 4.04 1t2aA1 ALA 228 HB3 -0.04 0.04 -0.13 -0.04 1.41 1.24 1t2aA1 LYS 229 H -0.07 0.56 -0.23 -0.55 8.42 8.12 1t2aA1 LYS 229 HA -0.00 0.06 0.40 -0.75 4.32 4.02 1t2aA1 LYS 229 HB2 -0.04 0.10 0.04 -0.04 1.87 1.93 1t2aA1 LYS 229 HB3 -0.01 -0.10 -0.17 -0.04 1.79 1.47 1t2aA1 LYS 229 HG2 -0.02 0.00 -0.02 -0.04 1.46 1.38 1t2aA1 LYS 229 HG3 -0.05 0.21 0.05 -0.04 1.46 1.63 1t2aA1 LYS 229 HD2 -0.04 -0.04 -0.09 -0.04 1.69 1.48 1t2aA1 LYS 229 HD3 -0.01 0.03 -0.09 -0.04 1.68 1.56 1t2aA1 LYS 229 HE2 -0.02 0.03 -0.03 -0.04 2.99 2.93 1t2aA1 LYS 229 HE3 -0.04 -0.01 -0.05 -0.04 2.99 2.84 1t2aA1 ILE 230 H -0.03 0.47 -0.31 -0.55 8.25 7.84 1t2aA1 ILE 230 HA 0.04 0.21 0.52 -0.75 4.18 4.20 1t2aA1 ILE 230 HB -0.01 0.05 0.13 -0.04 1.89 2.02 1t2aA1 ILE 230 HG12 0.15 0.05 -0.36 -0.04 1.49 1.28 1t2aA1 ILE 230 HG13 0.08 0.07 -0.18 -0.04 1.21 1.14 1t2aA1 ILE 230 HG23 -0.10 -0.01 -0.12 -0.04 0.93 0.66 1t2aA1 ILE 230 HD13 0.34 -0.06 -0.21 -0.04 0.88 0.91 1t2aA1 TYR 231 H 0.10 0.59 -0.10 -0.55 8.29 8.33 1t2aA1 TYR 231 HA -0.02 0.01 0.44 -0.75 4.56 4.24 1t2aA1 TYR 231 HB2 -0.04 -0.05 0.13 -0.04 3.06 3.05 1t2aA1 TYR 231 HB3 -0.05 0.14 0.19 -0.04 2.98 3.22 1t2aA1 TYR 231 HD2 -0.02 0.05 0.02 -0.04 7.15 7.16 1t2aA1 TYR 231 HE2 -0.02 -0.02 -0.01 -0.04 6.85 6.76 1t2aA1 LEU 232 H 0.03 0.40 -0.29 -0.55 8.37 7.96 1t2aA1 LEU 232 HA -0.26 0.10 0.59 -0.75 4.35 4.03 1t2aA1 LEU 232 HB2 -0.01 -0.03 0.06 -0.04 1.64 1.62 1t2aA1 LEU 232 HB3 -0.04 -0.00 0.08 -0.04 1.64 1.64 1t2aA1 LEU 232 HG 0.14 0.06 0.00 -0.04 1.64 1.81 1t2aA1 LEU 232 HD13 0.02 0.04 -0.24 -0.04 0.93 0.71 1t2aA1 LEU 232 HD23 -0.00 -0.00 -0.02 -0.04 0.89 0.82 1t2aA1 GLY 233 H -0.04 0.36 -0.35 -0.55 8.43 7.86 1t2aA1 GLY 233 HA2 -0.01 0.04 0.32 -0.51 4.01 3.86 1t2aA1 GLY 233 HA3 -0.04 0.05 0.55 -0.51 4.01 4.06 1t2aA1 GLN 234 H -0.01 0.52 0.01 -0.55 8.47 8.45 1t2aA1 GLN 234 HA 0.00 0.13 0.58 -0.75 4.36 4.32 1t2aA1 GLN 234 HB2 -0.00 -0.05 0.06 -0.04 2.15 2.11 1t2aA1 GLN 234 HB3 -0.00 -0.08 0.10 -0.04 2.02 2.00 1t2aA1 GLN 234 HG2 -0.01 -0.01 -0.05 -0.04 2.40 2.29 1t2aA1 GLN 234 HG3 -0.02 0.06 -0.23 -0.04 2.39 2.17 1t2aA1 GLN 234 HE21 -0.01 0.54 -0.01 -0.04 6.97 7.45 1t2aA1 GLN 234 HE22 -0.02 -0.02 -0.02 -0.04 7.69 7.59 1t2aA1 LEU 235 H 0.03 0.38 -0.22 -0.55 8.37 8.02 1t2aA1 LEU 235 HA 0.05 0.09 0.66 -0.75 4.35 4.40 1t2aA1 LEU 235 HB2 0.03 0.04 -0.37 -0.04 1.64 1.29 1t2aA1 LEU 235 HB3 0.04 -0.01 -0.33 -0.04 1.64 1.30 1t2aA1 LEU 235 HG 0.14 -0.07 -0.22 -0.04 1.64 1.45 1t2aA1 LEU 235 HD13 0.08 0.01 0.10 -0.04 0.93 1.08 1t2aA1 LEU 235 HD23 0.04 0.02 -0.12 -0.04 0.89 0.80 1t2aA1 GLU 236 H 0.11 0.04 0.14 -0.55 8.60 8.34 1t2aA1 GLU 236 HA 0.18 0.25 0.96 -0.75 4.29 4.94 1t2aA1 GLU 236 HB2 0.09 -0.06 0.11 -0.04 2.09 2.20 1t2aA1 GLU 236 HB3 0.11 0.02 0.04 -0.04 1.99 2.11 1t2aA1 GLU 236 HG2 0.08 0.08 -0.33 -0.04 2.34 2.12 1t2aA1 GLU 236 HG3 0.06 -0.02 -0.06 -0.04 2.34 2.28 1t2aA1 CYS 237 H 0.17 0.09 0.20 -0.55 8.50 8.41 1t2aA1 CYS 237 HA 0.30 0.36 0.97 -0.75 4.58 5.45 1t2aA1 CYS 237 HB2 0.10 0.18 -0.34 -0.04 2.97 2.87 1t2aA1 CYS 237 HB3 0.11 -0.09 -0.09 -0.04 2.97 2.85 1t2aA1 PHE 238 H 0.11 0.55 0.23 -0.55 8.34 8.68 1t2aA1 PHE 238 HA 0.08 0.12 0.60 -0.75 4.62 4.67 1t2aA1 PHE 238 HB2 0.05 -0.03 0.08 -0.04 3.15 3.21 1t2aA1 PHE 238 HB3 0.07 0.08 -0.17 -0.04 3.06 3.01 1t2aA1 PHE 238 HD2 0.10 0.08 -0.21 -0.04 7.28 7.21 1t2aA1 PHE 238 HE2 0.20 -0.04 -0.17 -0.04 7.38 7.34 1t2aA1 PHE 238 HZ 0.20 -0.07 -0.08 -0.04 7.32 7.32 1t2aA1 SER 239 H 0.22 0.19 0.13 -0.55 8.46 8.46 1t2aA1 SER 239 HA -0.02 0.27 1.13 -0.75 4.49 5.11 1t2aA1 SER 239 HB2 0.20 0.01 -0.23 -0.04 3.95 3.89 1t2aA1 SER 239 HB3 0.13 0.00 -0.20 -0.04 3.93 3.82 1t2aA1 LEU 240 H 0.06 0.68 0.37 -0.55 8.37 8.93 1t2aA1 LEU 240 HA -0.07 0.14 0.73 -0.75 4.35 4.39 1t2aA1 LEU 240 HB2 0.06 0.10 -0.02 -0.04 1.64 1.74 1t2aA1 LEU 240 HB3 0.06 -0.17 -0.04 -0.04 1.64 1.45 1t2aA1 LEU 240 HG 0.08 0.05 -0.34 -0.04 1.64 1.39 1t2aA1 LEU 240 HD13 0.24 -0.01 -0.13 -0.04 0.93 0.99 1t2aA1 LEU 240 HD23 0.15 0.00 -0.05 -0.04 0.89 0.95 1t2aA1 GLY 241 H 0.04 0.09 -0.06 -0.55 8.43 7.96 1t2aA1 GLY 241 HA2 0.33 0.27 0.82 -0.51 4.01 4.93 1t2aA1 GLY 241 HA3 0.09 0.04 0.16 -0.51 4.01 3.79 1t2aA1 ASN 242 H -0.43 0.18 0.05 -0.55 8.53 7.79 1t2aA1 ASN 242 HA -0.42 0.11 0.50 -0.75 4.76 4.20 1t2aA1 ASN 242 HB2 -0.94 0.07 0.12 -0.04 2.88 2.08 1t2aA1 ASN 242 HB3 -0.34 0.01 0.23 -0.04 2.79 2.66 1t2aA1 ASN 242 HD21 -0.13 0.09 -0.06 -0.04 7.03 6.89 1t2aA1 ASN 242 HD22 -0.18 0.02 0.04 -0.04 7.74 7.58 1t2aA1 LEU 243 H -0.10 0.32 0.21 -0.55 8.37 8.25 1t2aA1 LEU 243 HA -0.04 0.05 0.37 -0.75 4.35 3.97 1t2aA1 LEU 243 HB2 -0.23 0.03 0.01 -0.04 1.64 1.41 1t2aA1 LEU 243 HB3 -0.37 -0.05 -0.01 -0.04 1.64 1.18 1t2aA1 LEU 243 HG -0.07 0.16 -0.03 -0.04 1.64 1.66 1t2aA1 LEU 243 HD13 -0.45 0.02 -0.17 -0.04 0.93 0.30 1t2aA1 LEU 243 HD23 -0.03 -0.01 -0.17 -0.04 0.89 0.65 1t2aA1 ASP 244 H -0.08 0.06 -0.22 -0.55 8.40 7.61 1t2aA1 ASP 244 HA -0.02 0.15 0.82 -0.75 4.63 4.82 1t2aA1 ASP 244 HB2 -0.02 -0.00 0.02 -0.04 2.71 2.66 1t2aA1 ASP 244 HB3 0.02 0.07 0.12 -0.04 2.70 2.88 1t2aA1 ALA 245 H -0.04 0.15 -0.25 -0.55 8.40 7.72 1t2aA1 ALA 245 HA -0.06 0.20 0.57 -0.75 4.34 4.30 1t2aA1 ALA 245 HB3 -0.04 -0.01 0.09 -0.04 1.41 1.41 1t2aA1 LYS 246 H 0.01 0.61 0.34 -0.55 8.42 8.83 1t2aA1 LYS 246 HA -0.02 0.21 1.08 -0.75 4.32 4.83 1t2aA1 LYS 246 HB2 0.30 0.11 0.28 -0.04 1.87 2.53 1t2aA1 LYS 246 HB3 0.03 -0.05 -0.04 -0.04 1.79 1.69 1t2aA1 LYS 246 HG2 0.05 -0.11 -0.24 -0.04 1.46 1.12 1t2aA1 LYS 246 HG3 0.13 0.20 -0.20 -0.04 1.46 1.54 1t2aA1 LYS 246 HD2 0.15 0.04 -0.02 -0.04 1.69 1.82 1t2aA1 LYS 246 HD3 -0.03 -0.03 -0.08 -0.04 1.68 1.50 1t2aA1 LYS 246 HE2 0.01 -0.07 -0.05 -0.04 2.99 2.84 1t2aA1 LYS 246 HE3 0.06 0.03 -0.01 -0.04 2.99 3.03 1t2aA1 ARG 247 H -0.42 0.76 0.44 -0.55 8.46 8.68 1t2aA1 ARG 247 HA -0.31 0.15 1.06 -0.75 4.34 4.49 1t2aA1 ARG 247 HB2 -2.90 0.00 -0.07 -0.04 1.90 -1.11 1t2aA1 ARG 247 HB3 -1.38 -0.02 -0.13 -0.04 1.80 0.23 1t2aA1 ARG 247 HG2 -0.41 0.01 -0.52 -0.04 1.67 0.71 1t2aA1 ARG 247 HG3 -0.47 -0.07 -0.13 -0.04 1.67 0.96 1t2aA1 ARG 247 HD2 -0.26 -0.10 0.02 -0.04 3.22 2.84 1t2aA1 ARG 247 HD3 -0.21 0.14 0.07 -0.04 3.22 3.18 1t2aA1 ASP 248 H -0.16 0.12 0.15 -0.55 8.40 7.96 1t2aA1 ASP 248 HA 0.02 0.45 0.94 -0.75 4.63 5.28 1t2aA1 ASP 248 HB2 0.02 0.17 0.05 -0.04 2.71 2.92 1t2aA1 ASP 248 HB3 0.26 -0.08 0.22 -0.04 2.70 3.05 1t2aA1 TRP 249 H 0.39 0.27 0.10 -0.55 7.97 8.18 1t2aA1 TRP 249 HA 0.19 0.28 0.93 -0.75 4.62 5.26 1t2aA1 TRP 249 HB2 0.41 -0.00 0.08 -0.04 3.23 3.68 1t2aA1 TRP 249 HB3 0.31 0.03 -0.12 -0.04 3.23 3.42 1t2aA1 TRP 249 HD1 0.07 0.02 -0.19 -0.04 7.22 7.08 1t2aA1 TRP 249 HE1 0.00 -0.08 -0.09 -0.04 10.20 9.99 1t2aA1 TRP 249 HE3 0.20 0.01 -0.07 -0.04 7.59 7.69 1t2aA1 TRP 249 HZ2 0.01 -0.05 -0.11 -0.04 7.44 7.24 1t2aA1 TRP 249 HZ3 0.26 0.03 -0.40 -0.04 7.13 6.99 1t2aA1 TRP 249 HH2 0.15 -0.02 -0.34 -0.04 7.19 6.95 1t2aA1 GLY 250 H 0.26 0.67 0.29 -0.55 8.43 9.10 1t2aA1 GLY 250 HA2 0.29 0.26 0.85 -0.51 4.01 4.90 1t2aA1 GLY 250 HA3 0.22 0.03 0.29 -0.51 4.01 4.04 1t2aA1 HIS 251 H 0.18 0.20 0.17 -0.55 8.41 8.41 1t2aA1 HIS 251 HA -0.06 0.27 0.91 -0.75 4.63 4.99 1t2aA1 HIS 251 HB2 -0.01 0.07 0.09 -0.04 3.26 3.37 1t2aA1 HIS 251 HB3 -0.01 -0.12 0.20 -0.04 3.20 3.23 1t2aA1 HIS 251 HD2 -0.06 0.04 0.00 -0.04 6.97 6.91 1t2aA1 HIS 251 HE1 -0.37 0.08 0.05 -0.04 7.75 7.47 1t2aA1 ALA 252 H -0.22 0.74 0.23 -0.55 8.40 8.61 1t2aA1 ALA 252 HA -0.08 0.03 0.26 -0.75 4.34 3.80 1t2aA1 ALA 252 HB3 0.07 0.02 -0.13 -0.04 1.41 1.32 1t2aA1 LYS 253 H 0.27 0.09 -0.22 -0.55 8.42 8.01 1t2aA1 LYS 253 HA -0.30 0.11 0.40 -0.75 4.32 3.78 1t2aA1 LYS 253 HB2 -0.66 -0.02 0.08 -0.04 1.87 1.23 1t2aA1 LYS 253 HB3 -0.39 -0.05 0.05 -0.04 1.79 1.36 1t2aA1 LYS 253 HG2 -0.08 0.05 -0.10 -0.04 1.46 1.29 1t2aA1 LYS 253 HG3 -0.04 0.06 0.03 -0.04 1.46 1.47 1t2aA1 LYS 253 HD2 0.03 -0.01 -0.01 -0.04 1.69 1.66 1t2aA1 LYS 253 HD3 -0.18 -0.04 -0.02 -0.04 1.68 1.40 1t2aA1 LYS 253 HE2 0.00 0.02 -0.04 -0.04 2.99 2.94 1t2aA1 LYS 253 HE3 0.10 0.06 -0.03 -0.04 2.99 3.08 1t2aA1 ASP 254 H 0.08 0.11 -0.14 -0.55 8.40 7.90 1t2aA1 ASP 254 HA 0.14 0.16 0.45 -0.75 4.63 4.63 1t2aA1 ASP 254 HB2 0.54 0.07 0.13 -0.04 2.71 3.41 1t2aA1 ASP 254 HB3 0.46 0.07 -0.02 -0.04 2.70 3.17 1t2aA1 TYR 255 H 0.36 0.26 -0.24 -0.55 8.29 8.12 1t2aA1 TYR 255 HA -0.07 0.08 0.50 -0.75 4.56 4.31 1t2aA1 TYR 255 HB2 -0.32 0.01 0.02 -0.04 3.06 2.74 1t2aA1 TYR 255 HB3 -0.45 0.01 -0.09 -0.04 2.98 2.40 1t2aA1 TYR 255 HD2 -0.03 -0.04 -0.15 -0.04 7.15 6.89 1t2aA1 TYR 255 HE2 0.34 0.03 -0.11 -0.04 6.85 7.07 1t2aA1 VAL 256 H -0.03 0.48 -0.13 -0.55 8.24 8.01 1t2aA1 VAL 256 HA -0.20 0.03 0.44 -0.75 4.13 3.64 1t2aA1 VAL 256 HB -0.23 0.01 -0.00 -0.04 2.12 1.86 1t2aA1 VAL 256 HG13 0.00 0.03 0.01 -0.04 0.97 0.97 1t2aA1 VAL 256 HG23 -0.13 0.04 -0.19 -0.04 0.95 0.63 1t2aA1 GLU 257 H -0.17 0.27 -0.46 -0.55 8.60 7.70 1t2aA1 GLU 257 HA -1.12 0.10 0.44 -0.75 4.29 2.95 1t2aA1 GLU 257 HB2 -0.16 0.03 0.10 -0.04 2.09 2.02 1t2aA1 GLU 257 HB3 0.18 0.15 0.07 -0.04 1.99 2.34 1t2aA1 GLU 257 HG2 0.27 -0.00 -0.20 -0.04 2.34 2.37 1t2aA1 GLU 257 HG3 0.05 0.01 0.04 -0.04 2.34 2.41 1t2aA1 ALA 258 H -0.19 0.24 -0.34 -0.55 8.40 7.56 1t2aA1 ALA 258 HA -0.22 0.10 0.42 -0.75 4.34 3.88 1t2aA1 ALA 258 HB3 -1.11 0.02 0.01 -0.04 1.41 0.29 1t2aA1 MET 259 H -0.26 0.26 -0.32 -0.55 8.47 7.60 1t2aA1 MET 259 HA -0.27 0.00 0.31 -0.75 4.52 3.81 1t2aA1 MET 259 HB2 -0.30 0.15 0.05 -0.04 2.15 2.01 1t2aA1 MET 259 HB3 -0.86 -0.02 -0.06 -0.04 2.03 1.05 1t2aA1 MET 259 HG2 -0.52 -0.05 -0.04 -0.04 2.63 1.97 1t2aA1 MET 259 HG3 -0.30 0.13 0.09 -0.04 2.56 2.44 1t2aA1 MET 259 HE3 0.04 -0.04 -0.11 -0.04 2.10 1.95 1t2aA1 TRP 260 H 0.02 0.34 -0.25 -0.55 7.97 7.54 1t2aA1 TRP 260 HA 0.16 0.06 0.33 -0.75 4.62 4.41 1t2aA1 TRP 260 HB2 -0.09 -0.05 0.03 -0.04 3.23 3.08 1t2aA1 TRP 260 HB3 -0.13 0.11 0.11 -0.04 3.23 3.28 1t2aA1 TRP 260 HD1 0.08 -0.04 -0.08 -0.04 7.22 7.14 1t2aA1 TRP 260 HE1 0.34 0.05 -0.09 -0.04 10.20 10.46 1t2aA1 TRP 260 HE3 0.20 0.03 -0.10 -0.04 7.59 7.68 1t2aA1 TRP 260 HZ2 0.16 0.04 -0.06 -0.04 7.44 7.54 1t2aA1 TRP 260 HZ3 0.17 -0.01 -0.06 -0.04 7.13 7.19 1t2aA1 TRP 260 HH2 0.10 0.00 -0.05 -0.04 7.19 7.21 1t2aA1 LEU 261 H 0.18 0.48 -0.16 -0.55 8.37 8.32 1t2aA1 LEU 261 HA -0.37 0.06 0.33 -0.75 4.35 3.62 1t2aA1 LEU 261 HB2 -0.04 -0.03 0.12 -0.04 1.64 1.65 1t2aA1 LEU 261 HB3 -0.06 0.00 -0.01 -0.04 1.64 1.53 1t2aA1 LEU 261 HG 0.45 0.09 0.01 -0.04 1.64 2.15 1t2aA1 LEU 261 HD13 0.29 -0.01 -0.15 -0.04 0.93 1.01 1t2aA1 LEU 261 HD23 0.21 0.02 -0.02 -0.04 0.89 1.06 1t2aA1 MET 262 H -0.09 0.50 -0.31 -0.55 8.47 8.03 1t2aA1 MET 262 HA -0.08 -0.00 0.40 -0.75 4.52 4.08 1t2aA1 MET 262 HB2 0.13 0.14 0.08 -0.04 2.15 2.46 1t2aA1 MET 262 HB3 0.20 -0.02 -0.06 -0.04 2.03 2.11 1t2aA1 MET 262 HG2 -0.30 -0.04 -0.05 -0.04 2.63 2.21 1t2aA1 MET 262 HG3 -0.23 0.12 -0.02 -0.04 2.56 2.39 1t2aA1 MET 262 HE3 -0.01 -0.03 -0.17 -0.04 2.10 1.86 1t2aA1 LEU 263 H -0.06 0.34 -0.32 -0.55 8.37 7.78 1t2aA1 LEU 263 HA 0.17 0.10 0.56 -0.75 4.35 4.43 1t2aA1 LEU 263 HB2 -0.09 0.04 0.06 -0.04 1.64 1.62 1t2aA1 LEU 263 HB3 -0.17 0.03 -0.03 -0.04 1.64 1.43 1t2aA1 LEU 263 HG -0.08 0.03 -0.16 -0.04 1.64 1.39 1t2aA1 LEU 263 HD13 0.22 0.00 -0.35 -0.04 0.93 0.77 1t2aA1 LEU 263 HD23 -0.49 -0.03 -0.16 -0.04 0.89 0.17 1t2aA1 GLN 264 H -0.32 0.27 -0.33 -0.55 8.47 7.54 1t2aA1 GLN 264 HA -0.30 0.13 0.65 -0.75 4.36 4.08 1t2aA1 GLN 264 HB2 -0.46 0.03 0.04 -0.04 2.15 1.72 1t2aA1 GLN 264 HB3 -0.39 -0.07 0.07 -0.04 2.02 1.59 1t2aA1 GLN 264 HG2 -1.57 0.22 -0.12 -0.04 2.40 0.90 1t2aA1 GLN 264 HG3 -2.02 -0.10 -0.09 -0.04 2.39 0.15 1t2aA1 GLN 264 HE21 -0.20 -0.02 -0.18 -0.04 6.97 6.52 1t2aA1 GLN 264 HE22 -1.00 0.17 -0.08 -0.04 7.69 6.73 1t2aA1 ASN 265 H 0.00 0.18 -0.33 -0.55 8.53 7.84 1t2aA1 ASN 265 HA 0.03 -0.05 0.35 -0.75 4.76 4.34 1t2aA1 ASN 265 HB2 0.08 0.02 0.13 -0.04 2.88 3.07 1t2aA1 ASN 265 HB3 0.25 0.20 0.03 -0.04 2.79 3.22 1t2aA1 ASN 265 HD21 0.20 -0.15 -0.00 -0.04 7.03 7.03 1t2aA1 ASN 265 HD22 0.18 0.49 0.10 -0.04 7.74 8.48 1t2aA1 ASP 266 H 0.08 0.02 0.16 -0.55 8.40 8.12 1t2aA1 ASP 266 HA 0.10 0.17 0.37 -0.75 4.63 4.51 1t2aA1 ASP 266 HB2 0.06 -0.09 0.13 -0.04 2.71 2.78 1t2aA1 ASP 266 HB3 0.07 -0.01 0.03 -0.04 2.70 2.74 1t2aA1 GLU 267 H 0.12 0.02 -0.16 -0.55 8.60 8.04 1t2aA1 GLU 267 HA 0.07 0.29 0.89 -0.75 4.29 4.79 1t2aA1 GLU 267 HB2 0.00 -0.11 -0.08 -0.04 2.09 1.86 1t2aA1 GLU 267 HB3 -0.05 0.08 -0.04 -0.04 1.99 1.94 1t2aA1 GLU 267 HG2 0.04 -0.11 -0.23 -0.04 2.34 2.00 1t2aA1 GLU 267 HG3 0.01 -0.06 -0.07 -0.04 2.34 2.18 1t2aA1 PRO 268 HA -0.67 0.13 0.52 -0.51 4.44 3.91 1t2aA1 PRO 268 HB2 -0.56 0.17 0.06 -0.04 2.28 1.91 1t2aA1 PRO 268 HB3 -2.00 0.01 0.01 -0.04 2.02 0.00 1t2aA1 PRO 268 HG2 -0.31 -0.04 0.21 -0.04 2.03 1.85 1t2aA1 PRO 268 HG3 -0.39 0.11 0.13 -0.04 2.03 1.84 1t2aA1 PRO 268 HD2 -0.18 0.03 0.21 -0.04 3.68 3.69 1t2aA1 PRO 268 HD3 -0.40 0.25 0.14 -0.04 3.65 3.59 1t2aA1 GLU 269 H -0.04 0.31 0.21 -0.55 8.60 8.53 1t2aA1 GLU 269 HA -0.21 0.15 0.84 -0.75 4.29 4.33 1t2aA1 GLU 269 HB2 -0.29 -0.00 -0.07 -0.04 2.09 1.69 1t2aA1 GLU 269 HB3 -0.46 -0.04 0.04 -0.04 1.99 1.48 1t2aA1 GLU 269 HG2 -0.14 0.07 -0.22 -0.04 2.34 2.01 1t2aA1 GLU 269 HG3 -0.06 0.12 -0.52 -0.04 2.34 1.85 1t2aA1 ASP 270 H -0.27 0.14 0.18 -0.55 8.40 7.91 1t2aA1 ASP 270 HA -0.05 0.18 0.81 -0.75 4.63 4.82 1t2aA1 ASP 270 HB2 -0.09 -0.03 0.11 -0.04 2.71 2.65 1t2aA1 ASP 270 HB3 -0.03 0.04 0.14 -0.04 2.70 2.81 1t2aA1 PHE 271 H 0.17 0.46 0.33 -0.55 8.34 8.75 1t2aA1 PHE 271 HA 0.03 0.13 0.97 -0.75 4.62 4.99 1t2aA1 PHE 271 HB2 -0.03 -0.01 -0.07 -0.04 3.15 3.00 1t2aA1 PHE 271 HB3 -0.03 0.03 -0.15 -0.04 3.06 2.86 1t2aA1 PHE 271 HD2 0.00 -0.07 -0.21 -0.04 7.28 6.96 1t2aA1 PHE 271 HE2 0.01 0.09 -0.14 -0.04 7.38 7.29 1t2aA1 PHE 271 HZ 0.01 0.07 -0.10 -0.04 7.32 7.25 1t2aA1 VAL 272 H 0.19 0.09 0.17 -0.55 8.24 8.15 1t2aA1 VAL 272 HA 0.25 0.30 0.61 -0.75 4.13 4.53 1t2aA1 VAL 272 HB 0.14 -0.00 0.16 -0.04 2.12 2.37 1t2aA1 VAL 272 HG13 0.14 -0.03 -0.31 -0.04 0.97 0.73 1t2aA1 VAL 272 HG23 0.34 -0.00 -0.15 -0.04 0.95 1.09 1t2aA1 ILE 273 H 0.15 0.54 0.18 -0.55 8.25 8.57 1t2aA1 ILE 273 HA -0.43 0.17 0.70 -0.75 4.18 3.87 1t2aA1 ILE 273 HB -0.34 -0.08 -0.01 -0.04 1.89 1.41 1t2aA1 ILE 273 HG12 -0.21 0.02 -0.57 -0.04 1.49 0.69 1t2aA1 ILE 273 HG13 -0.53 0.03 -0.19 -0.04 1.21 0.47 1t2aA1 ILE 273 HG23 -1.91 0.00 -0.14 -0.04 0.93 -1.16 1t2aA1 ILE 273 HD13 -0.83 0.06 -0.08 -0.04 0.88 -0.01 1t2aA1 ALA 274 H 0.08 0.42 0.10 -0.55 8.40 8.46 1t2aA1 ALA 274 HA 0.29 0.11 0.62 -0.75 4.34 4.61 1t2aA1 ALA 274 HB3 -0.30 -0.01 -0.17 -0.04 1.41 0.89 1t2aA1 THR 275 H 0.21 0.07 0.10 -0.55 8.28 8.11 1t2aA1 THR 275 HA 0.20 0.31 0.92 -0.75 4.39 5.07 1t2aA1 THR 275 HB 0.17 0.08 0.10 -0.04 4.32 4.63 1t2aA1 THR 275 HG23 0.37 0.03 -0.09 -0.04 1.22 1.49 1t2aA1 GLY 276 H -0.04 -0.11 0.09 -0.55 8.43 7.82 1t2aA1 GLY 276 HA2 -0.09 0.13 0.36 -0.51 4.01 3.90 1t2aA1 GLY 276 HA3 -0.02 0.18 0.58 -0.51 4.01 4.24 1t2aA1 GLU 277 H 0.06 -0.07 -0.24 -0.55 8.60 7.80 1t2aA1 GLU 277 HA -0.04 0.26 0.91 -0.75 4.29 4.67 1t2aA1 GLU 277 HB2 0.16 -0.12 0.04 -0.04 2.09 2.13 1t2aA1 GLU 277 HB3 0.06 0.03 0.02 -0.04 1.99 2.07 1t2aA1 GLU 277 HG2 0.07 0.11 -0.19 -0.04 2.34 2.28 1t2aA1 GLU 277 HG3 0.11 -0.05 -0.01 -0.04 2.34 2.35 1t2aA1 VAL 278 H -0.21 0.26 0.19 -0.55 8.24 7.93 1t2aA1 VAL 278 HA -0.11 0.31 1.12 -0.75 4.13 4.71 1t2aA1 VAL 278 HB -0.16 0.01 0.04 -0.04 2.12 1.97 1t2aA1 VAL 278 HG13 -0.10 -0.00 -0.19 -0.04 0.97 0.64 1t2aA1 VAL 278 HG23 -0.08 0.02 -0.26 -0.04 0.95 0.59 1t2aA1 HIS 279 H -0.09 0.60 0.44 -0.55 8.41 8.81 1t2aA1 HIS 279 HA -0.04 0.19 0.75 -0.75 4.63 4.78 1t2aA1 HIS 279 HB2 -0.17 -0.04 0.01 -0.04 3.26 3.03 1t2aA1 HIS 279 HB3 -0.03 -0.04 0.13 -0.04 3.20 3.22 1t2aA1 HIS 279 HD2 -0.03 0.02 0.03 -0.04 6.97 6.94 1t2aA1 HIS 279 HE1 -0.05 -0.06 -0.09 -0.04 7.75 7.50 1t2aA1 SER 280 H 0.23 0.10 0.20 -0.55 8.46 8.44 1t2aA1 SER 280 HA 0.16 0.44 1.05 -0.75 4.49 5.39 1t2aA1 SER 280 HB2 0.10 0.15 0.15 -0.04 3.95 4.31 1t2aA1 SER 280 HB3 0.09 0.09 0.07 -0.04 3.93 4.14 1t2aA1 VAL 281 H 0.24 0.59 0.21 -0.55 8.24 8.73 1t2aA1 VAL 281 HA 0.50 -0.02 0.38 -0.75 4.13 4.24 1t2aA1 VAL 281 HB 0.12 0.12 0.21 -0.04 2.12 2.52 1t2aA1 VAL 281 HG13 0.15 -0.01 -0.15 -0.04 0.97 0.92 1t2aA1 VAL 281 HG23 0.25 0.03 0.03 -0.04 0.95 1.22 1t2aA1 ARG 282 H 0.10 0.52 0.03 -0.55 8.46 8.56 1t2aA1 ARG 282 HA 0.16 0.05 0.39 -0.75 4.34 4.18 1t2aA1 ARG 282 HB2 -0.30 0.04 0.06 -0.04 1.90 1.66 1t2aA1 ARG 282 HB3 -0.03 -0.02 0.07 -0.04 1.80 1.78 1t2aA1 ARG 282 HG2 0.14 -0.00 -0.17 -0.04 1.67 1.60 1t2aA1 ARG 282 HG3 -0.89 0.00 -0.01 -0.04 1.67 0.73 1t2aA1 ARG 282 HD2 -0.20 0.00 -0.04 -0.04 3.22 2.94 1t2aA1 ARG 282 HD3 -0.36 0.04 -0.05 -0.04 3.22 2.81 1t2aA1 GLU 283 H 0.28 0.11 -0.32 -0.55 8.60 8.13 1t2aA1 GLU 283 HA 0.30 0.10 0.44 -0.75 4.29 4.36 1t2aA1 GLU 283 HB2 0.38 0.05 0.13 -0.04 2.09 2.61 1t2aA1 GLU 283 HB3 0.35 0.03 0.04 -0.04 1.99 2.36 1t2aA1 GLU 283 HG2 0.21 0.08 0.04 -0.04 2.34 2.63 1t2aA1 GLU 283 HG3 0.19 -0.06 0.07 -0.04 2.34 2.50 1t2aA1 PHE 284 H 0.51 0.44 -0.15 -0.55 8.34 8.59 1t2aA1 PHE 284 HA 0.16 0.02 0.48 -0.75 4.62 4.53 1t2aA1 PHE 284 HB2 0.02 0.00 0.05 -0.04 3.15 3.18 1t2aA1 PHE 284 HB3 0.04 0.10 0.06 -0.04 3.06 3.23 1t2aA1 PHE 284 HD2 -0.40 0.03 -0.20 -0.04 7.28 6.66 1t2aA1 PHE 284 HE2 -0.43 0.02 -0.07 -0.04 7.38 6.86 1t2aA1 PHE 284 HZ -0.35 0.01 -0.11 -0.04 7.32 6.82 1t2aA1 VAL 285 H 0.44 0.59 -0.12 -0.55 8.24 8.60 1t2aA1 VAL 285 HA 0.42 0.02 0.40 -0.75 4.13 4.21 1t2aA1 VAL 285 HB 0.64 0.14 0.15 -0.04 2.12 3.01 1t2aA1 VAL 285 HG13 0.64 -0.00 -0.20 -0.04 0.97 1.36 1t2aA1 VAL 285 HG23 0.46 0.02 -0.05 -0.04 0.95 1.35 1t2aA1 GLU 286 H 0.41 0.59 -0.06 -0.55 8.60 8.99 1t2aA1 GLU 286 HA 0.25 -0.01 0.35 -0.75 4.29 4.13 1t2aA1 GLU 286 HB2 0.27 -0.01 0.21 -0.04 2.09 2.51 1t2aA1 GLU 286 HB3 0.18 0.00 0.03 -0.04 1.99 2.17 1t2aA1 GLU 286 HG2 0.27 0.02 0.05 -0.04 2.34 2.64 1t2aA1 GLU 286 HG3 0.59 0.05 0.07 -0.04 2.34 3.01 1t2aA1 LYS 287 H 0.13 0.68 -0.08 -0.55 8.42 8.60 1t2aA1 LYS 287 HA -0.01 0.05 0.46 -0.75 4.32 4.06 1t2aA1 LYS 287 HB2 -0.19 0.05 0.13 -0.04 1.87 1.81 1t2aA1 LYS 287 HB3 -0.12 -0.04 0.01 -0.04 1.79 1.59 1t2aA1 LYS 287 HG2 0.03 -0.00 0.04 -0.04 1.46 1.48 1t2aA1 LYS 287 HG3 0.13 0.07 0.09 -0.04 1.46 1.71 1t2aA1 LYS 287 HD2 0.10 -0.02 -0.07 -0.04 1.69 1.66 1t2aA1 LYS 287 HD3 -0.05 -0.05 -0.02 -0.04 1.68 1.51 1t2aA1 LYS 287 HE2 0.30 0.00 -0.02 -0.04 2.99 3.24 1t2aA1 LYS 287 HE3 0.40 -0.09 -0.05 -0.04 2.99 3.20 1t2aA1 SER 288 H -0.03 0.53 -0.25 -0.55 8.46 8.17 1t2aA1 SER 288 HA -0.05 0.01 0.45 -0.75 4.49 4.14 1t2aA1 SER 288 HB2 -0.04 0.11 0.11 -0.04 3.95 4.09 1t2aA1 SER 288 HB3 -0.16 -0.03 -0.07 -0.04 3.93 3.63 1t2aA1 PHE 289 H 0.16 0.57 -0.09 -0.55 8.34 8.43 1t2aA1 PHE 289 HA 0.00 0.04 0.37 -0.75 4.62 4.28 1t2aA1 PHE 289 HB2 0.01 0.08 0.07 -0.04 3.15 3.27 1t2aA1 PHE 289 HB3 -0.02 -0.02 -0.22 -0.04 3.06 2.76 1t2aA1 PHE 289 HD2 0.02 0.09 -0.11 -0.04 7.28 7.24 1t2aA1 PHE 289 HE2 0.00 0.01 -0.11 -0.04 7.38 7.24 1t2aA1 PHE 289 HZ 0.32 0.10 -0.15 -0.04 7.32 7.55 1t2aA1 LEU 290 H 0.07 0.43 -0.17 -0.55 8.37 8.15 1t2aA1 LEU 290 HA -0.01 0.12 0.50 -0.75 4.35 4.21 1t2aA1 LEU 290 HB2 -0.06 0.10 0.22 -0.04 1.64 1.86 1t2aA1 LEU 290 HB3 -0.28 0.02 -0.00 -0.04 1.64 1.33 1t2aA1 LEU 290 HG -0.09 -0.02 0.02 -0.04 1.64 1.51 1t2aA1 LEU 290 HD13 -0.00 0.03 0.01 -0.04 0.93 0.92 1t2aA1 LEU 290 HD23 -0.06 -0.03 -0.01 -0.04 0.89 0.75 1t2aA1 HIS 291 H -0.11 0.39 -0.31 -0.55 8.41 7.84 1t2aA1 HIS 291 HA -0.04 0.02 0.45 -0.75 4.63 4.30 1t2aA1 HIS 291 HB2 -0.14 0.15 0.13 -0.04 3.26 3.36 1t2aA1 HIS 291 HB3 -0.05 -0.03 0.07 -0.04 3.20 3.14 1t2aA1 HIS 291 HD2 -0.12 0.02 0.05 -0.04 6.97 6.87 1t2aA1 HIS 291 HE1 -0.24 -0.09 -0.02 -0.04 7.75 7.36 1t2aA1 ILE 292 H -0.01 0.30 -0.45 -0.55 8.25 7.54 1t2aA1 ILE 292 HA -0.20 0.23 1.01 -0.75 4.18 4.47 1t2aA1 ILE 292 HB 0.09 0.01 0.18 -0.04 1.89 2.13 1t2aA1 ILE 292 HG12 -0.07 -0.04 0.04 -0.04 1.49 1.38 1t2aA1 ILE 292 HG13 0.11 0.06 -0.09 -0.04 1.21 1.26 1t2aA1 ILE 292 HG23 -0.23 0.01 -0.13 -0.04 0.93 0.54 1t2aA1 ILE 292 HD13 0.08 0.02 -0.04 -0.04 0.88 0.90 1t2aA1 GLY 293 H -0.01 0.46 -0.39 -0.55 8.43 7.95 1t2aA1 GLY 293 HA2 0.01 -0.00 0.28 -0.51 4.01 3.79 1t2aA1 GLY 293 HA3 0.05 0.07 0.49 -0.51 4.01 4.12 1t2aA1 LYS 294 H 0.08 0.62 0.04 -0.55 8.42 8.61 1t2aA1 LYS 294 HA 0.04 0.16 1.06 -0.75 4.32 4.83 1t2aA1 LYS 294 HB2 0.26 0.04 -0.10 -0.04 1.87 2.02 1t2aA1 LYS 294 HB3 0.05 -0.12 -0.12 -0.04 1.79 1.56 1t2aA1 LYS 294 HG2 0.09 -0.05 -0.07 -0.04 1.46 1.38 1t2aA1 LYS 294 HG3 0.12 0.17 -0.41 -0.04 1.46 1.30 1t2aA1 LYS 294 HD2 0.18 0.03 -0.12 -0.04 1.69 1.74 1t2aA1 LYS 294 HD3 0.05 -0.11 -0.09 -0.04 1.68 1.49 1t2aA1 LYS 294 HE2 0.10 0.10 -0.06 -0.04 2.99 3.08 1t2aA1 LYS 294 HE3 -0.01 0.07 -0.08 -0.04 2.99 2.93 1t2aA1 THR 295 H -0.01 0.12 0.15 -0.55 8.28 7.99 1t2aA1 THR 295 HA -0.01 0.17 0.85 -0.75 4.39 4.64 1t2aA1 THR 295 HB -0.03 -0.09 0.17 -0.04 4.32 4.32 1t2aA1 THR 295 HG23 -0.03 0.01 -0.13 -0.04 1.22 1.03 1t2aA1 ILE 296 H -0.11 0.17 0.10 -0.55 8.25 7.86 1t2aA1 ILE 296 HA -0.38 0.25 0.74 -0.75 4.18 4.02 1t2aA1 ILE 296 HB -0.29 -0.04 0.03 -0.04 1.89 1.54 1t2aA1 ILE 296 HG12 -0.53 -0.02 -0.27 -0.04 1.49 0.63 1t2aA1 ILE 296 HG13 -0.67 0.00 -0.19 -0.04 1.21 0.31 1t2aA1 ILE 296 HG23 -1.25 -0.03 -0.31 -0.04 0.93 -0.70 1t2aA1 ILE 296 HD13 -1.09 0.02 -0.31 -0.04 0.88 -0.55 1t2aA1 VAL 297 H -0.40 0.69 0.31 -0.55 8.24 8.28 1t2aA1 VAL 297 HA -0.21 0.13 0.98 -0.75 4.13 4.28 1t2aA1 VAL 297 HB -0.13 0.01 0.02 -0.04 2.12 1.98 1t2aA1 VAL 297 HG13 -0.02 0.03 -0.06 -0.04 0.97 0.88 1t2aA1 VAL 297 HG23 -0.10 0.04 -0.17 -0.04 0.95 0.67 1t2aA1 TRP 298 H 0.06 0.11 0.15 -0.55 7.97 7.75 1t2aA1 TRP 298 HA -0.01 0.31 0.87 -0.75 4.62 5.04 1t2aA1 TRP 298 HB2 0.02 -0.02 0.07 -0.04 3.23 3.26 1t2aA1 TRP 298 HB3 0.02 0.04 -0.00 -0.04 3.23 3.24 1t2aA1 TRP 298 HD1 0.03 0.03 0.02 -0.04 7.22 7.26 1t2aA1 TRP 298 HE1 0.07 0.01 -0.07 -0.04 10.20 10.17 1t2aA1 TRP 298 HE3 0.00 0.18 -0.43 -0.04 7.59 7.30 1t2aA1 TRP 298 HZ2 0.12 0.04 -0.02 -0.04 7.44 7.53 1t2aA1 TRP 298 HZ3 -0.02 0.03 -0.28 -0.04 7.13 6.83 1t2aA1 TRP 298 HH2 0.07 -0.01 -0.12 -0.04 7.19 7.09 1t2aA1 GLU 299 H 0.22 0.63 0.43 -0.55 8.60 9.34 1t2aA1 GLU 299 HA 0.11 0.11 0.75 -0.75 4.29 4.51 1t2aA1 GLU 299 HB2 0.04 0.00 0.04 -0.04 2.09 2.13 1t2aA1 GLU 299 HB3 0.04 -0.03 0.05 -0.04 1.99 2.01 1t2aA1 GLU 299 HG2 0.04 0.05 0.03 -0.04 2.34 2.43 1t2aA1 GLU 299 HG3 0.03 -0.01 -0.63 -0.04 2.34 1.69 1t2aA1 GLY 300 H 0.07 0.11 0.14 -0.55 8.43 8.20 1t2aA1 GLY 300 HA2 0.04 0.02 0.32 -0.51 4.01 3.88 1t2aA1 GLY 300 HA3 0.06 0.31 0.61 -0.51 4.01 4.47 1t2aA1 LYS 301 H 0.04 0.23 0.01 -0.55 8.42 8.14 1t2aA1 LYS 301 HA 0.03 0.20 0.85 -0.75 4.32 4.65 1t2aA1 LYS 301 HB2 0.02 0.00 -0.04 -0.04 1.87 1.82 1t2aA1 LYS 301 HB3 0.02 -0.02 0.02 -0.04 1.79 1.77 1t2aA1 LYS 301 HG2 0.03 0.13 -0.16 -0.04 1.46 1.41 1t2aA1 LYS 301 HG3 0.03 -0.11 -0.49 -0.04 1.46 0.85 1t2aA1 LYS 301 HD2 0.02 0.00 -0.06 -0.04 1.69 1.60 1t2aA1 LYS 301 HD3 0.02 -0.01 -0.04 -0.04 1.68 1.61 1t2aA1 LYS 301 HE2 0.02 0.03 -0.06 -0.04 2.99 2.94 1t2aA1 LYS 301 HE3 0.02 -0.00 -0.06 -0.04 2.99 2.91 1t2aA1 ASN 302 H 0.03 0.15 0.13 -0.55 8.53 8.29 1t2aA1 ASN 302 HA 0.06 0.04 0.35 -0.75 4.76 4.45 1t2aA1 ASN 302 HB2 0.00 0.15 0.02 -0.04 2.88 3.01 1t2aA1 ASN 302 HB3 -0.01 -0.02 0.20 -0.04 2.79 2.92 1t2aA1 ASN 302 HD21 0.01 0.06 -0.07 -0.04 7.03 6.99 1t2aA1 ASN 302 HD22 0.00 0.06 -0.13 -0.04 7.74 7.63 1t2aA1 GLU 303 H -0.02 0.15 0.19 -0.55 8.60 8.37 1t2aA1 GLU 303 HA 0.05 0.07 0.33 -0.75 4.29 3.99 1t2aA1 GLU 303 HB2 -0.02 0.01 0.13 -0.04 2.09 2.17 1t2aA1 GLU 303 HB3 -0.10 -0.07 0.11 -0.04 1.99 1.89 1t2aA1 GLU 303 HG2 -0.01 0.11 -0.23 -0.04 2.34 2.17 1t2aA1 GLU 303 HG3 -0.04 0.00 0.02 -0.04 2.34 2.29 1t2aA1 ASN 304 H 0.03 0.43 -0.54 -0.55 8.53 7.90 1t2aA1 ASN 304 HA 0.03 0.20 0.83 -0.75 4.76 5.07 1t2aA1 ASN 304 HB2 0.02 0.03 0.11 -0.04 2.88 3.00 1t2aA1 ASN 304 HB3 0.02 -0.01 0.16 -0.04 2.79 2.92 1t2aA1 ASN 304 HD21 -0.00 -0.00 -0.02 -0.04 7.03 6.97 1t2aA1 ASN 304 HD22 0.01 -0.00 0.02 -0.04 7.74 7.72 1t2aA1 GLU 305 H 0.06 0.36 -0.36 -0.55 8.60 8.12 1t2aA1 GLU 305 HA 0.10 0.20 0.43 -0.75 4.29 4.26 1t2aA1 GLU 305 HB2 0.06 -0.18 -0.30 -0.04 2.09 1.62 1t2aA1 GLU 305 HB3 0.08 -0.03 -0.11 -0.04 1.99 1.88 1t2aA1 GLU 305 HG2 0.31 0.01 -0.26 -0.04 2.34 2.35 1t2aA1 GLU 305 HG3 0.18 0.14 -0.25 -0.04 2.34 2.36 1t2aA1 VAL 306 H 0.18 0.62 0.41 -0.55 8.24 8.90 1t2aA1 VAL 306 HA 0.15 0.20 0.72 -0.75 4.13 4.45 1t2aA1 VAL 306 HB 0.00 0.03 0.14 -0.04 2.12 2.25 1t2aA1 VAL 306 HG13 0.04 0.02 -0.18 -0.04 0.97 0.80 1t2aA1 VAL 306 HG23 0.01 0.00 -0.07 -0.04 0.95 0.85 1t2aA1 GLY 307 H -0.04 0.60 0.31 -0.55 8.43 8.76 1t2aA1 GLY 307 HA2 -0.66 0.19 0.72 -0.51 4.01 3.76 1t2aA1 GLY 307 HA3 -0.91 -0.06 0.26 -0.51 4.01 2.79 1t2aA1 ARG 308 H -0.36 0.73 0.28 -0.55 8.46 8.56 1t2aA1 ARG 308 HA -0.26 0.20 0.98 -0.75 4.34 4.51 1t2aA1 ARG 308 HB2 -0.13 -0.07 -0.18 -0.04 1.90 1.48 1t2aA1 ARG 308 HB3 -0.14 0.01 -0.03 -0.04 1.80 1.59 1t2aA1 ARG 308 HG2 -0.14 -0.07 -0.39 -0.04 1.67 1.03 1t2aA1 ARG 308 HG3 -0.15 -0.05 -0.54 -0.04 1.67 0.89 1t2aA1 ARG 308 HD2 -0.07 -0.07 -0.08 -0.04 3.22 2.95 1t2aA1 ARG 308 HD3 -0.07 0.16 0.05 -0.04 3.22 3.31 1t2aA1 CYS 309 H -0.23 0.80 0.17 -0.55 8.50 8.69 1t2aA1 CYS 309 HA -0.12 0.12 0.55 -0.75 4.58 4.38 1t2aA1 CYS 309 HB2 0.11 0.15 0.10 -0.04 2.97 3.30 1t2aA1 CYS 309 HB3 -0.07 -0.21 0.17 -0.04 2.97 2.82 1t2aA1 LYS 310 H -0.09 0.56 0.37 -0.55 8.42 8.70 1t2aA1 LYS 310 HA -0.07 0.10 0.39 -0.75 4.32 3.99 1t2aA1 LYS 310 HB2 -0.07 0.06 0.06 -0.04 1.87 1.88 1t2aA1 LYS 310 HB3 -0.04 -0.10 0.17 -0.04 1.79 1.78 1t2aA1 LYS 310 HG2 -0.02 0.02 -0.17 -0.04 1.46 1.26 1t2aA1 LYS 310 HG3 -0.03 0.01 0.01 -0.04 1.46 1.41 1t2aA1 LYS 310 HD2 -0.03 -0.00 -0.05 -0.04 1.69 1.57 1t2aA1 LYS 310 HD3 -0.02 -0.03 -0.02 -0.04 1.68 1.57 1t2aA1 LYS 310 HE2 -0.01 0.02 -0.03 -0.04 2.99 2.93 1t2aA1 LYS 310 HE3 -0.00 -0.01 -0.02 -0.04 2.99 2.91 1t2aA1 GLU 311 H -0.02 0.02 -0.01 -0.55 8.60 8.04 1t2aA1 GLU 311 HA -0.01 0.16 0.55 -0.75 4.29 4.23 1t2aA1 GLU 311 HB2 0.01 -0.07 0.18 -0.04 2.09 2.16 1t2aA1 GLU 311 HB3 0.01 0.08 -0.04 -0.04 1.99 1.99 1t2aA1 GLU 311 HG2 0.00 0.03 0.05 -0.04 2.34 2.38 1t2aA1 GLU 311 HG3 0.00 -0.06 0.04 -0.04 2.34 2.28 1t2aA1 THR 312 H -0.01 -0.03 -0.07 -0.55 8.28 7.62 1t2aA1 THR 312 HA -0.01 0.25 0.66 -0.75 4.39 4.53 1t2aA1 THR 312 HB -0.00 0.07 0.10 -0.04 4.32 4.44 1t2aA1 THR 312 HG23 0.03 0.01 -0.00 -0.04 1.22 1.22 1t2aA1 GLY 313 H -0.05 0.31 -0.30 -0.55 8.43 7.85 1t2aA1 GLY 313 HA2 -0.08 0.13 0.27 -0.51 4.01 3.82 1t2aA1 GLY 313 HA3 -0.05 0.07 0.40 -0.51 4.01 3.91 1t2aA1 LYS 314 H -0.11 -0.08 -0.43 -0.55 8.42 7.25 1t2aA1 LYS 314 HA -0.15 0.12 0.49 -0.75 4.32 4.03 1t2aA1 LYS 314 HB2 -0.26 -0.11 0.03 -0.04 1.87 1.49 1t2aA1 LYS 314 HB3 -0.40 0.13 -0.11 -0.04 1.79 1.37 1t2aA1 LYS 314 HG2 -0.07 0.01 0.02 -0.04 1.46 1.37 1t2aA1 LYS 314 HG3 -0.06 0.05 -0.05 -0.04 1.46 1.36 1t2aA1 LYS 314 HD2 0.04 -0.04 -0.00 -0.04 1.69 1.65 1t2aA1 LYS 314 HD3 0.04 0.05 -0.01 -0.04 1.68 1.73 1t2aA1 LYS 314 HE2 0.00 0.00 0.00 -0.04 2.99 2.96 1t2aA1 LYS 314 HE3 0.03 0.03 0.00 -0.04 2.99 3.01 1t2aA1 VAL 315 H -0.18 0.15 0.17 -0.55 8.24 7.83 1t2aA1 VAL 315 HA -0.21 0.09 0.62 -0.75 4.13 3.88 1t2aA1 VAL 315 HB -0.08 -0.02 0.11 -0.04 2.12 2.10 1t2aA1 VAL 315 HG13 -0.05 -0.02 -0.17 -0.04 0.97 0.69 1t2aA1 VAL 315 HG23 -0.07 0.01 0.00 -0.04 0.95 0.85 1t2aA1 HIS 316 H -0.19 0.54 0.43 -0.55 8.41 8.65 1t2aA1 HIS 316 HA 0.05 0.42 1.09 -0.75 4.63 5.44 1t2aA1 HIS 316 HB2 -0.36 -0.06 -0.02 -0.04 3.26 2.78 1t2aA1 HIS 316 HB3 0.23 -0.05 0.03 -0.04 3.20 3.37 1t2aA1 HIS 316 HD2 -0.26 -0.11 -0.11 -0.04 6.97 6.44 1t2aA1 HIS 316 HE1 0.06 0.02 -0.02 -0.04 7.75 7.77 1t2aA1 VAL 317 H -0.10 0.31 0.27 -0.55 8.24 8.17 1t2aA1 VAL 317 HA -0.36 0.36 1.02 -0.75 4.13 4.39 1t2aA1 VAL 317 HB -0.05 -0.17 0.13 -0.04 2.12 1.98 1t2aA1 VAL 317 HG13 -0.05 0.01 -0.10 -0.04 0.97 0.79 1t2aA1 VAL 317 HG23 -0.13 0.00 -0.24 -0.04 0.95 0.54 1t2aA1 THR 318 H -0.09 0.53 0.34 -0.55 8.28 8.51 1t2aA1 THR 318 HA 0.06 0.29 0.92 -0.75 4.39 4.91 1t2aA1 THR 318 HB 0.05 0.07 0.14 -0.04 4.32 4.54 1t2aA1 THR 318 HG23 0.02 0.00 -0.20 -0.04 1.22 1.00 1t2aA1 VAL 319 H 0.09 0.38 0.18 -0.55 8.24 8.33 1t2aA1 VAL 319 HA 0.15 0.22 0.98 -0.75 4.13 4.73 1t2aA1 VAL 319 HB 0.10 0.10 0.04 -0.04 2.12 2.33 1t2aA1 VAL 319 HG13 0.23 -0.02 -0.18 -0.04 0.97 0.97 1t2aA1 VAL 319 HG23 0.11 0.00 -0.24 -0.04 0.95 0.78 1t2aA1 ASP 320 H 0.27 0.72 0.29 -0.55 8.40 9.13 1t2aA1 ASP 320 HA 0.06 0.22 0.90 -0.75 4.63 5.05 1t2aA1 ASP 320 HB2 0.14 0.09 -0.13 -0.04 2.71 2.77 1t2aA1 ASP 320 HB3 0.16 -0.03 0.05 -0.04 2.70 2.84 1t2aA1 LEU 321 H -0.05 0.26 0.12 -0.55 8.37 8.16 1t2aA1 LEU 321 HA -0.20 0.02 0.45 -0.75 4.35 3.87 1t2aA1 LEU 321 HB2 -0.12 0.05 0.04 -0.04 1.64 1.56 1t2aA1 LEU 321 HB3 -0.24 0.04 0.06 -0.04 1.64 1.47 1t2aA1 LEU 321 HG -0.15 0.02 0.11 -0.04 1.64 1.58 1t2aA1 LEU 321 HD13 -0.15 0.02 0.03 -0.04 0.93 0.80 1t2aA1 LEU 321 HD23 -0.62 -0.02 0.01 -0.04 0.89 0.22 1t2aA1 LYS 322 H -0.11 0.07 -0.42 -0.55 8.42 7.40 1t2aA1 LYS 322 HA -0.10 0.14 0.48 -0.75 4.32 4.08 1t2aA1 LYS 322 HB2 -0.21 0.04 0.08 -0.04 1.87 1.74 1t2aA1 LYS 322 HB3 -0.17 -0.01 0.05 -0.04 1.79 1.62 1t2aA1 LYS 322 HG2 -0.54 -0.07 -0.11 -0.04 1.46 0.69 1t2aA1 LYS 322 HG3 -1.02 0.03 -0.37 -0.04 1.46 0.07 1t2aA1 LYS 322 HD2 -0.26 0.01 -0.05 -0.04 1.69 1.35 1t2aA1 LYS 322 HD3 -0.18 0.01 -0.03 -0.04 1.68 1.44 1t2aA1 LYS 322 HE2 -0.17 -0.02 -0.06 -0.04 2.99 2.70 1t2aA1 LYS 322 HE3 -0.42 0.00 -0.08 -0.04 2.99 2.45 1t2aA1 TYR 323 H 0.02 0.44 -0.31 -0.55 8.29 7.89 1t2aA1 TYR 323 HA 0.07 0.18 0.79 -0.75 4.56 4.84 1t2aA1 TYR 323 HB2 0.12 0.08 -0.16 -0.04 3.06 3.05 1t2aA1 TYR 323 HB3 0.06 -0.14 0.06 -0.04 2.98 2.92 1t2aA1 TYR 323 HD2 0.07 0.04 -0.16 -0.04 7.15 7.06 1t2aA1 TYR 323 HE2 0.05 -0.01 -0.10 -0.04 6.85 6.75 1t2aA1 TYR 324 H 0.32 0.37 -0.28 -0.55 8.29 8.16 1t2aA1 TYR 324 HA 0.03 -0.10 0.61 -0.75 4.56 4.34 1t2aA1 TYR 324 HB2 -0.03 0.26 0.11 -0.04 3.06 3.35 1t2aA1 TYR 324 HB3 -0.04 0.08 0.00 -0.04 2.98 2.98 1t2aA1 TYR 324 HD2 0.01 0.05 0.01 -0.04 7.15 7.18 1t2aA1 TYR 324 HE2 0.01 0.07 -0.16 -0.04 6.85 6.73 1t2aA1 ARG 325 H 0.01 0.09 0.15 -0.55 8.46 8.16 1t2aA1 ARG 325 HA -0.26 0.24 0.77 -0.75 4.34 4.33 1t2aA1 ARG 325 HB2 -0.03 -0.09 -0.04 -0.04 1.90 1.69 1t2aA1 ARG 325 HB3 -0.17 0.05 -0.13 -0.04 1.80 1.51 1t2aA1 ARG 325 HG2 0.18 -0.06 -0.08 -0.04 1.67 1.67 1t2aA1 ARG 325 HG3 0.01 0.11 -0.06 -0.04 1.67 1.69 1t2aA1 ARG 325 HD2 0.00 -0.04 -0.15 -0.04 3.22 2.99 1t2aA1 ARG 325 HD3 0.01 -0.06 0.01 -0.04 3.22 3.14 1t2aA1 PRO 326 HA -0.11 0.07 0.35 -0.51 4.44 4.24 1t2aA1 PRO 326 HB2 -0.17 0.03 0.05 -0.04 2.28 2.15 1t2aA1 PRO 326 HB3 -0.11 0.06 0.08 -0.04 2.02 2.01 1t2aA1 PRO 326 HG2 -0.69 0.04 0.11 -0.04 2.03 1.44 1t2aA1 PRO 326 HG3 -0.29 0.08 0.08 -0.04 2.03 1.86 1t2aA1 PRO 326 HD2 -1.84 0.07 0.21 -0.04 3.68 2.08 1t2aA1 PRO 326 HD3 -0.59 0.23 0.23 -0.04 3.65 3.48 1t2aA1 THR 327 H -0.12 0.11 -0.25 -0.55 8.28 7.47 1t2aA1 THR 327 HA 0.03 0.18 0.89 -0.75 4.39 4.74 1t2aA1 THR 327 HB 0.13 0.04 0.09 -0.04 4.32 4.54 1t2aA1 THR 327 HG23 0.10 -0.00 -0.10 -0.04 1.22 1.18 1t2aA1 GLU 328 H -0.01 0.18 -0.00 -0.55 8.60 8.22 1t2aA1 GLU 328 HA 0.00 0.01 0.42 -0.75 4.29 3.97 1t2aA1 GLU 328 HB2 -0.04 0.03 0.08 -0.04 2.09 2.11 1t2aA1 GLU 328 HB3 -0.07 0.04 0.03 -0.04 1.99 1.95 1t2aA1 GLU 328 HG2 -0.13 -0.02 -0.07 -0.04 2.34 2.07 1t2aA1 GLU 328 HG3 -0.14 0.02 -0.53 -0.04 2.34 1.65 1t2aA1 VAL 329 H -0.03 0.12 0.10 -0.55 8.24 7.87 1t2aA1 VAL 329 HA -0.06 0.22 0.65 -0.75 4.13 4.18 1t2aA1 VAL 329 HB -0.01 -0.11 0.19 -0.04 2.12 2.15 1t2aA1 VAL 329 HG13 -0.00 0.08 -0.02 -0.04 0.97 0.98 1t2aA1 VAL 329 HG23 0.05 0.02 -0.02 -0.04 0.95 0.96 1t2aA1 ASP 330 H -0.30 0.28 -0.00 -0.55 8.40 7.82 1t2aA1 ASP 330 HA -0.36 0.02 0.47 -0.75 4.63 4.01 1t2aA1 ASP 330 HB2 -1.43 0.07 0.07 -0.04 2.71 1.38 1t2aA1 ASP 330 HB3 -1.71 0.01 0.03 -0.04 2.70 0.99 1t2aA1 PHE 331 H -0.15 0.22 -0.07 -0.55 8.34 7.79 1t2aA1 PHE 331 HA -0.06 0.26 0.95 -0.75 4.62 5.01 1t2aA1 PHE 331 HB2 -0.02 0.01 -0.13 -0.04 3.15 2.97 1t2aA1 PHE 331 HB3 -0.04 0.00 -0.06 -0.04 3.06 2.92 1t2aA1 PHE 331 HD2 -0.03 0.06 -0.02 -0.04 7.28 7.25 1t2aA1 PHE 331 HE2 -0.03 0.04 -0.03 -0.04 7.38 7.31 1t2aA1 PHE 331 HZ -0.02 0.01 -0.04 -0.04 7.32 7.23 1t2aA1 LEU 332 H 0.07 0.36 0.13 -0.55 8.37 8.38 1t2aA1 LEU 332 HA 0.19 0.22 0.82 -0.75 4.35 4.83 1t2aA1 LEU 332 HB2 0.08 -0.13 0.13 -0.04 1.64 1.68 1t2aA1 LEU 332 HB3 0.38 -0.07 0.00 -0.04 1.64 1.91 1t2aA1 LEU 332 HG 0.04 0.02 -0.42 -0.04 1.64 1.24 1t2aA1 LEU 332 HD13 -0.06 -0.05 -0.07 -0.04 0.93 0.71 1t2aA1 LEU 332 HD23 0.11 0.05 0.01 -0.04 0.89 1.02 1t2aA1 GLN 333 H 0.20 0.30 0.05 -0.55 8.47 8.48 1t2aA1 GLN 333 HA -0.07 0.00 0.54 -0.75 4.36 4.08 1t2aA1 GLN 333 HB2 -0.04 0.07 -0.26 -0.04 2.15 1.88 1t2aA1 GLN 333 HB3 -0.05 -0.03 0.04 -0.04 2.02 1.94 1t2aA1 GLN 333 HG2 -0.11 0.04 -0.23 -0.04 2.40 2.06 1t2aA1 GLN 333 HG3 -0.08 -0.07 -0.24 -0.04 2.39 1.95 1t2aA1 GLN 333 HE21 -0.07 -0.02 -0.01 -0.04 6.97 6.83 1t2aA1 GLN 333 HE22 -0.06 0.49 0.06 -0.04 7.69 8.13 1t2aA1 GLY 334 H -0.55 -0.02 0.13 -0.55 8.43 7.45 1t2aA1 GLY 334 HA2 -0.72 0.28 0.70 -0.51 4.01 3.76 1t2aA1 GLY 334 HA3 -1.44 -0.03 0.24 -0.51 4.01 2.27 1t2aA1 ASP 335 H -0.18 0.78 0.24 -0.55 8.40 8.69 1t2aA1 ASP 335 HA -0.07 0.18 0.85 -0.75 4.63 4.84 1t2aA1 ASP 335 HB2 -0.07 0.06 -0.11 -0.04 2.71 2.54 1t2aA1 ASP 335 HB3 -0.05 0.02 0.01 -0.04 2.70 2.65 1t2aA1 CYS 336 H 0.01 0.28 -0.11 -0.55 8.50 8.14 1t2aA1 CYS 336 HA 0.08 0.19 0.78 -0.75 4.58 4.88 1t2aA1 CYS 336 HB2 0.16 0.12 0.15 -0.04 2.97 3.36 1t2aA1 CYS 336 HB3 0.08 -0.16 -0.18 -0.04 2.97 2.66 1t2aA1 THR 337 H 0.04 0.13 -0.42 -0.55 8.28 7.49 1t2aA1 THR 337 HA 0.06 0.12 0.37 -0.75 4.39 4.19 1t2aA1 THR 337 HB 0.04 -0.03 0.06 -0.04 4.32 4.34 1t2aA1 THR 337 HG23 0.04 0.03 -0.09 -0.04 1.22 1.16 1t2aA1 LYS 338 H 0.09 0.08 -0.11 -0.55 8.42 7.93 1t2aA1 LYS 338 HA 0.12 0.13 0.40 -0.75 4.32 4.21 1t2aA1 LYS 338 HB2 0.06 -0.04 0.14 -0.04 1.87 1.99 1t2aA1 LYS 338 HB3 0.17 -0.06 0.11 -0.04 1.79 1.98 1t2aA1 LYS 338 HG2 0.17 0.03 -0.07 -0.04 1.46 1.55 1t2aA1 LYS 338 HG3 0.01 0.03 0.05 -0.04 1.46 1.51 1t2aA1 LYS 338 HD2 -0.14 -0.10 0.07 -0.04 1.69 1.48 1t2aA1 LYS 338 HD3 -0.41 0.03 0.07 -0.04 1.68 1.32 1t2aA1 LYS 338 HE2 -0.62 0.03 -0.04 -0.04 2.99 2.32 1t2aA1 LYS 338 HE3 -0.20 -0.02 0.01 -0.04 2.99 2.74 1t2aA1 ALA 339 H 0.24 0.07 -0.17 -0.55 8.40 8.00 1t2aA1 ALA 339 HA 0.00 0.09 0.43 -0.75 4.34 4.11 1t2aA1 ALA 339 HB3 0.06 0.03 0.06 -0.04 1.41 1.52 1t2aA1 LYS 340 H 0.17 0.53 -0.05 -0.55 8.42 8.50 1t2aA1 LYS 340 HA 0.14 0.21 0.56 -0.75 4.32 4.47 1t2aA1 LYS 340 HB2 0.09 0.00 0.16 -0.04 1.87 2.09 1t2aA1 LYS 340 HB3 0.06 -0.01 0.02 -0.04 1.79 1.82 1t2aA1 LYS 340 HG2 0.09 0.39 0.15 -0.04 1.46 2.05 1t2aA1 LYS 340 HG3 0.18 -0.02 0.02 -0.04 1.46 1.60 1t2aA1 LYS 340 HD2 0.00 0.03 0.01 -0.04 1.69 1.70 1t2aA1 LYS 340 HD3 0.02 -0.06 0.01 -0.04 1.68 1.61 1t2aA1 LYS 340 HE2 0.06 -0.14 -0.25 -0.04 2.99 2.62 1t2aA1 LYS 340 HE3 0.03 0.04 -0.04 -0.04 2.99 2.99 1t2aA1 GLN 341 H 0.11 0.38 -0.23 -0.55 8.47 8.18 1t2aA1 GLN 341 HA 0.06 0.10 0.51 -0.75 4.36 4.28 1t2aA1 GLN 341 HB2 0.09 0.04 0.18 -0.04 2.15 2.42 1t2aA1 GLN 341 HB3 0.06 -0.00 0.00 -0.04 2.02 2.04 1t2aA1 GLN 341 HG2 0.04 0.00 0.01 -0.04 2.40 2.42 1t2aA1 GLN 341 HG3 0.05 -0.04 -0.02 -0.04 2.39 2.34 1t2aA1 GLN 341 HE21 0.03 -0.04 -0.03 -0.04 6.97 6.88 1t2aA1 GLN 341 HE22 0.03 0.01 -0.02 -0.04 7.69 7.67 1t2aA1 LYS 342 H 0.15 0.48 0.07 -0.55 8.42 8.57 1t2aA1 LYS 342 HA 0.09 0.16 0.65 -0.75 4.32 4.47 1t2aA1 LYS 342 HB2 0.37 -0.00 0.08 -0.04 1.87 2.28 1t2aA1 LYS 342 HB3 0.22 0.00 0.06 -0.04 1.79 2.03 1t2aA1 LYS 342 HG2 0.12 0.00 -0.01 -0.04 1.46 1.53 1t2aA1 LYS 342 HG3 0.17 -0.00 0.08 -0.04 1.46 1.66 1t2aA1 LYS 342 HD2 0.20 -0.07 -0.03 -0.04 1.69 1.76 1t2aA1 LYS 342 HD3 0.23 0.04 -0.02 -0.04 1.68 1.89 1t2aA1 LYS 342 HE2 0.05 -0.04 -0.00 -0.04 2.99 2.96 1t2aA1 LYS 342 HE3 -0.03 -0.04 -0.01 -0.04 2.99 2.88 1t2aA1 LEU 343 H 0.04 0.49 -0.01 -0.55 8.37 8.35 1t2aA1 LEU 343 HA -0.02 0.27 0.84 -0.75 4.35 4.69 1t2aA1 LEU 343 HB2 -0.04 -0.04 0.01 -0.04 1.64 1.53 1t2aA1 LEU 343 HB3 -0.08 -0.02 -0.00 -0.04 1.64 1.50 1t2aA1 LEU 343 HG -0.60 -0.09 -0.09 -0.04 1.64 0.82 1t2aA1 LEU 343 HD13 -0.92 -0.03 -0.09 -0.04 0.93 -0.16 1t2aA1 LEU 343 HD23 -0.30 0.06 -0.25 -0.04 0.89 0.36 1t2aA1 ASN 344 H 0.07 0.20 -0.23 -0.55 8.53 8.02 1t2aA1 ASN 344 HA 0.05 0.16 0.32 -0.75 4.76 4.54 1t2aA1 ASN 344 HB2 0.05 0.00 -0.16 -0.04 2.88 2.73 1t2aA1 ASN 344 HB3 0.07 0.22 0.04 -0.04 2.79 3.08 1t2aA1 ASN 344 HD21 0.01 -0.08 0.01 -0.04 7.03 6.92 1t2aA1 ASN 344 HD22 0.02 0.09 0.05 -0.04 7.74 7.86 1t2aA1 TRP 345 H 0.22 0.14 -0.25 -0.55 7.97 7.53 1t2aA1 TRP 345 HA -0.01 0.19 0.70 -0.75 4.62 4.74 1t2aA1 TRP 345 HB2 -0.08 0.09 -0.11 -0.04 3.23 3.08 1t2aA1 TRP 345 HB3 -0.09 -0.09 -0.14 -0.04 3.23 2.87 1t2aA1 TRP 345 HD1 -0.04 0.08 -0.11 -0.04 7.22 7.10 1t2aA1 TRP 345 HE1 -0.07 0.35 -0.02 -0.04 10.20 10.42 1t2aA1 TRP 345 HE3 -0.08 0.03 -0.31 -0.04 7.59 7.19 1t2aA1 TRP 345 HZ2 -0.25 -0.12 -0.31 -0.04 7.44 6.72 1t2aA1 TRP 345 HZ3 -0.12 0.01 0.00 -0.04 7.13 6.99 1t2aA1 TRP 345 HH2 -0.31 -0.08 -0.19 -0.04 7.19 6.57 1t2aA1 LYS 346 H -1.19 0.29 0.12 -0.55 8.42 7.08 1t2aA1 LYS 346 HA -0.72 0.09 0.43 -0.75 4.32 3.36 1t2aA1 LYS 346 HB2 -0.25 0.10 -0.21 -0.04 1.87 1.47 1t2aA1 LYS 346 HB3 -0.37 -0.03 -0.09 -0.04 1.79 1.26 1t2aA1 LYS 346 HG2 -0.21 0.01 -0.07 -0.04 1.46 1.15 1t2aA1 LYS 346 HG3 -0.32 0.05 0.08 -0.04 1.46 1.22 1t2aA1 LYS 346 HD2 -0.11 -0.01 0.05 -0.04 1.69 1.58 1t2aA1 LYS 346 HD3 -0.10 0.01 -0.03 -0.04 1.68 1.52 1t2aA1 LYS 346 HE2 -0.05 -0.03 0.00 -0.04 2.99 2.87 1t2aA1 LYS 346 HE3 -0.07 -0.00 -0.00 -0.04 2.99 2.87 1t2aA1 PRO 347 HA -0.40 -0.04 0.45 -0.51 4.44 3.95 1t2aA1 PRO 347 HB2 0.09 0.02 -0.03 -0.04 2.28 2.31 1t2aA1 PRO 347 HB3 0.22 -0.05 -0.02 -0.04 2.02 2.13 1t2aA1 PRO 347 HG2 -0.09 0.06 0.09 -0.04 2.03 2.05 1t2aA1 PRO 347 HG3 0.03 0.05 0.17 -0.04 2.03 2.24 1t2aA1 PRO 347 HD2 -0.33 0.15 0.21 -0.04 3.68 3.67 1t2aA1 PRO 347 HD3 -0.52 0.12 0.12 -0.04 3.65 3.33 1t2aA1 ARG 348 H -0.05 -0.08 0.21 -0.55 8.46 7.99 1t2aA1 ARG 348 HA -0.11 0.31 0.93 -0.75 4.34 4.73 1t2aA1 ARG 348 HB2 -0.07 -0.14 0.10 -0.04 1.90 1.76 1t2aA1 ARG 348 HB3 -0.07 0.04 0.01 -0.04 1.80 1.73 1t2aA1 ARG 348 HG2 -0.19 0.04 -0.04 -0.04 1.67 1.44 1t2aA1 ARG 348 HG3 -0.09 0.01 0.00 -0.04 1.67 1.56 1t2aA1 ARG 348 HD2 -0.10 -0.02 -0.02 -0.04 3.22 3.04 1t2aA1 ARG 348 HD3 -0.17 0.08 -0.18 -0.04 3.22 2.91 1t2aA1 VAL 349 H 0.02 -0.06 0.16 -0.55 8.24 7.82 1t2aA1 VAL 349 HA 0.00 0.17 0.70 -0.75 4.13 4.25 1t2aA1 VAL 349 HB 0.12 -0.17 0.17 -0.04 2.12 2.20 1t2aA1 VAL 349 HG13 0.09 0.03 -0.15 -0.04 0.97 0.90 1t2aA1 VAL 349 HG23 -0.16 0.02 0.03 -0.04 0.95 0.80 1t2aA1 ALA 350 H 0.04 0.18 0.16 -0.55 8.40 8.24 1t2aA1 ALA 350 HA 0.15 0.19 0.66 -0.75 4.34 4.58 1t2aA1 ALA 350 HB3 0.09 0.03 0.07 -0.04 1.41 1.56 1t2aA1 PHE 351 H 0.31 0.22 0.13 -0.55 8.34 8.45 1t2aA1 PHE 351 HA 0.03 0.08 0.26 -0.75 4.62 4.23 1t2aA1 PHE 351 HB2 0.09 0.07 0.13 -0.04 3.15 3.40 1t2aA1 PHE 351 HB3 -0.13 0.01 0.11 -0.04 3.06 3.01 1t2aA1 PHE 351 HD2 -0.16 0.04 -0.07 -0.04 7.28 7.06 1t2aA1 PHE 351 HE2 -0.03 0.01 -0.12 -0.04 7.38 7.21 1t2aA1 PHE 351 HZ 0.04 -0.02 -0.13 -0.04 7.32 7.17 1t2aA1 ASP 352 H 0.09 0.14 -0.09 -0.55 8.40 7.99 1t2aA1 ASP 352 HA -0.26 0.09 0.37 -0.75 4.63 4.09 1t2aA1 ASP 352 HB2 0.02 -0.03 0.07 -0.04 2.71 2.73 1t2aA1 ASP 352 HB3 -0.02 0.10 -0.03 -0.04 2.70 2.72 1t2aA1 GLU 353 H -0.06 0.11 -0.25 -0.55 8.60 7.86 1t2aA1 GLU 353 HA -0.14 0.13 0.47 -0.75 4.29 3.99 1t2aA1 GLU 353 HB2 -0.04 0.02 0.08 -0.04 2.09 2.11 1t2aA1 GLU 353 HB3 -0.03 0.04 0.07 -0.04 1.99 2.02 1t2aA1 GLU 353 HG2 -0.07 -0.05 -0.15 -0.04 2.34 2.04 1t2aA1 GLU 353 HG3 -0.07 0.06 0.04 -0.04 2.34 2.32 1t2aA1 LEU 354 H -0.12 0.43 -0.21 -0.55 8.37 7.92 1t2aA1 LEU 354 HA -0.04 0.00 0.39 -0.75 4.35 3.95 1t2aA1 LEU 354 HB2 0.03 -0.01 -0.17 -0.04 1.64 1.45 1t2aA1 LEU 354 HB3 -0.16 0.13 0.03 -0.04 1.64 1.59 1t2aA1 LEU 354 HG -0.12 0.00 -0.39 -0.04 1.64 1.09 1t2aA1 LEU 354 HD13 -0.11 -0.04 -0.19 -0.04 0.93 0.54 1t2aA1 LEU 354 HD23 0.10 -0.02 -0.28 -0.04 0.89 0.65 1t2aA1 VAL 355 H -0.57 0.59 -0.13 -0.55 8.24 7.59 1t2aA1 VAL 355 HA -0.57 -0.05 0.32 -0.75 4.13 3.08 1t2aA1 VAL 355 HB -0.59 0.15 0.09 -0.04 2.12 1.73 1t2aA1 VAL 355 HG13 -0.63 -0.01 -0.19 -0.04 0.97 0.10 1t2aA1 VAL 355 HG23 -1.71 0.03 0.00 -0.04 0.95 -0.76 1t2aA1 ARG 356 H -0.49 0.48 -0.13 -0.55 8.46 7.76 1t2aA1 ARG 356 HA -1.35 0.06 0.40 -0.75 4.34 2.69 1t2aA1 ARG 356 HB2 -0.65 0.06 0.14 -0.04 1.90 1.40 1t2aA1 ARG 356 HB3 -0.42 0.00 0.16 -0.04 1.80 1.50 1t2aA1 ARG 356 HG2 -1.22 -0.04 -0.11 -0.04 1.67 0.26 1t2aA1 ARG 356 HG3 -0.74 0.04 0.04 -0.04 1.67 0.97 1t2aA1 ARG 356 HD2 -0.13 0.04 -0.02 -0.04 3.22 3.06 1t2aA1 ARG 356 HD3 -0.13 -0.02 -0.01 -0.04 3.22 3.02 1t2aA1 GLU 357 H -0.29 0.59 -0.16 -0.55 8.60 8.19 1t2aA1 GLU 357 HA -0.16 0.05 0.41 -0.75 4.29 3.83 1t2aA1 GLU 357 HB2 -0.09 0.08 0.14 -0.04 2.09 2.18 1t2aA1 GLU 357 HB3 -0.08 0.04 0.12 -0.04 1.99 2.03 1t2aA1 GLU 357 HG2 0.00 -0.05 -0.17 -0.04 2.34 2.08 1t2aA1 GLU 357 HG3 -0.01 0.04 0.03 -0.04 2.34 2.36 1t2aA1 MET 358 H -0.20 0.53 -0.19 -0.55 8.47 8.07 1t2aA1 MET 358 HA -0.07 -0.01 0.46 -0.75 4.52 4.14 1t2aA1 MET 358 HB2 -0.10 0.10 0.08 -0.04 2.15 2.19 1t2aA1 MET 358 HB3 -0.05 -0.04 -0.08 -0.04 2.03 1.81 1t2aA1 MET 358 HG2 -0.09 -0.11 -0.34 -0.04 2.63 2.06 1t2aA1 MET 358 HG3 -0.11 0.18 -0.06 -0.04 2.56 2.52 1t2aA1 MET 358 HE3 -0.08 0.03 -0.23 -0.04 2.10 1.78 1t2aA1 VAL 359 H -0.24 0.62 -0.02 -0.55 8.24 8.05 1t2aA1 VAL 359 HA -0.10 0.02 0.45 -0.75 4.13 3.74 1t2aA1 VAL 359 HB -0.27 0.09 0.17 -0.04 2.12 2.06 1t2aA1 VAL 359 HG13 -0.06 0.02 -0.16 -0.04 0.97 0.72 1t2aA1 VAL 359 HG23 -0.17 0.00 0.07 -0.04 0.95 0.82 1t2aA1 HIS 360 H -0.17 0.73 -0.07 -0.55 8.41 8.36 1t2aA1 HIS 360 HA -0.13 0.06 0.44 -0.75 4.63 4.24 1t2aA1 HIS 360 HB2 -0.12 0.06 0.16 -0.04 3.26 3.32 1t2aA1 HIS 360 HB3 -0.09 -0.04 0.02 -0.04 3.20 3.05 1t2aA1 HIS 360 HD2 -0.17 -0.05 -0.08 -0.04 6.97 6.63 1t2aA1 HIS 360 HE1 -0.04 -0.03 0.01 -0.04 7.75 7.64 1t2aA1 ALA 361 H -0.01 0.57 -0.14 -0.55 8.40 8.27 1t2aA1 ALA 361 HA -0.00 0.03 0.44 -0.75 4.34 4.05 1t2aA1 ALA 361 HB3 -0.01 -0.00 0.13 -0.04 1.41 1.48 1t2aA1 ASP 362 H -0.04 0.52 -0.18 -0.55 8.40 8.16 1t2aA1 ASP 362 HA -0.03 0.00 0.53 -0.75 4.63 4.38 1t2aA1 ASP 362 HB2 -0.06 0.14 0.06 -0.04 2.71 2.80 1t2aA1 ASP 362 HB3 -0.05 -0.00 -0.01 -0.04 2.70 2.59 1t2aA1 VAL 363 H -0.03 0.60 -0.14 -0.55 8.24 8.13 1t2aA1 VAL 363 HA 0.03 0.04 0.38 -0.75 4.13 3.82 1t2aA1 VAL 363 HB -0.06 0.09 0.19 -0.04 2.12 2.30 1t2aA1 VAL 363 HG13 0.07 -0.00 -0.11 -0.04 0.97 0.89 1t2aA1 VAL 363 HG23 -0.08 0.03 0.04 -0.04 0.95 0.90 1t2aA1 GLU 364 H -0.02 0.48 -0.13 -0.55 8.60 8.39 1t2aA1 GLU 364 HA -0.01 0.04 0.37 -0.75 4.29 3.94 1t2aA1 GLU 364 HB2 -0.02 0.08 0.19 -0.04 2.09 2.31 1t2aA1 GLU 364 HB3 -0.02 -0.05 0.05 -0.04 1.99 1.93 1t2aA1 GLU 364 HG2 -0.04 0.23 0.11 -0.04 2.34 2.59 1t2aA1 GLU 364 HG3 -0.03 -0.06 0.02 -0.04 2.34 2.23 1t2aA1 LEU 365 H -0.02 0.60 -0.09 -0.55 8.37 8.33 1t2aA1 LEU 365 HA -0.02 -0.01 0.42 -0.75 4.35 4.00 1t2aA1 LEU 365 HB2 -0.02 0.17 0.17 -0.04 1.64 1.92 1t2aA1 LEU 365 HB3 -0.02 0.06 0.09 -0.04 1.64 1.73 1t2aA1 LEU 365 HG -0.02 -0.03 0.03 -0.04 1.64 1.58 1t2aA1 LEU 365 HD13 -0.02 -0.02 -0.03 -0.04 0.93 0.83 1t2aA1 LEU 365 HD23 -0.01 -0.01 -0.02 -0.04 0.89 0.81 1t2aA1 MET 366 H -0.01 0.61 -0.22 -0.55 8.47 8.31 1t2aA1 MET 366 HA -0.01 -0.03 0.33 -0.75 4.52 4.05 1t2aA1 MET 366 HB2 0.00 0.12 -0.02 -0.04 2.15 2.22 1t2aA1 MET 366 HB3 -0.01 -0.03 -0.07 -0.04 2.03 1.89 1t2aA1 MET 366 HG2 -0.02 0.11 0.05 -0.04 2.63 2.72 1t2aA1 MET 366 HG3 -0.02 -0.05 -0.08 -0.04 2.56 2.37 1t2aA1 MET 366 HE3 -0.02 -0.03 -0.16 -0.04 2.10 1.86 1t2aA1 ARG 367 H 0.00 0.32 -0.38 -0.55 8.46 7.86 1t2aA1 ARG 367 HA 0.00 0.00 0.40 -0.75 4.34 3.99 1t2aA1 ARG 367 HB2 0.02 0.10 0.11 -0.04 1.90 2.08 1t2aA1 ARG 367 HB3 -0.00 0.11 0.17 -0.04 1.80 2.04 1t2aA1 ARG 367 HG2 -0.00 -0.07 -0.04 -0.04 1.67 1.52 1t2aA1 ARG 367 HG3 -0.00 0.01 -0.02 -0.04 1.67 1.62 1t2aA1 ARG 367 HD2 0.01 -0.05 -0.00 -0.04 3.22 3.13 1t2aA1 ARG 367 HD3 0.02 0.03 0.02 -0.04 3.22 3.25 1t2aA1 THR 368 H -0.01 0.25 -0.29 -0.55 8.28 7.68 1t2aA1 THR 368 HA -0.01 -0.02 0.37 -0.75 4.39 3.98 1t2aA1 THR 368 HB -0.01 -0.23 0.27 -0.04 4.32 4.31 1t2aA1 THR 368 HG23 -0.01 -0.02 0.02 -0.04 1.22 1.16 1t2aA1 ASN 369 H -0.01 0.15 0.05 -0.55 8.53 8.18 1t2aA1 ASN 369 HA -0.01 0.05 0.13 -0.75 4.76 4.18 1t2aA1 ASN 369 HB2 -0.01 0.33 0.37 -0.04 2.88 3.53 1t2aA1 ASN 369 HB3 -0.01 -0.15 0.11 -0.04 2.79 2.71 1t2aA1 ASN 369 HD21 -0.01 -0.05 0.03 -0.04 7.03 6.96 1t2aA1 ASN 369 HD22 -0.01 -0.07 0.09 -0.04 7.74 7.71