============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 48 0.840 10.079 -21.986 -3.411 -99.200 -91.000 PHE 67 1.000 18.374 -14.781 11.639 -99.200 -91.000 PHE 70 1.000 14.886 -17.212 16.720 -99.200 -91.000 HIS 82 0.900 11.920 -7.574 22.140 -99.200 -91.000 PHE 84 1.000 7.346 -5.504 12.844 -99.200 -91.000 TYR 85 0.840 11.146 -1.126 18.165 -99.200 -91.000 HIS 87 0.900 16.473 -6.914 11.002 -99.200 -91.000 TYR 105 0.840 2.323 19.277 2.834 -99.200 -91.000 PHE 121 1.000 0.536 -8.454 15.592 -99.200 -91.000 PHE 147 1.000 -2.969 -11.086 13.069 -99.200 -91.000 TYR 163 0.840 -6.056 14.487 11.166 -99.200 -91.000 HIS 167 0.900 -9.568 17.237 12.415 -99.200 -91.000 PHE 186 1.000 12.172 -21.739 5.578 -99.200 -91.000 HIS 196 0.900 7.475 -20.231 5.535 -99.200 -91.000 PHE 199 1.000 2.387 -14.604 2.521 -99.200 -91.000 PHE 228 1.000 -13.835 -0.779 -3.822 -99.200 -91.000 HIS 245 0.900 5.378 -23.103 18.803 -99.200 -91.000 TYR 259 0.840 -14.103 -18.308 -0.531 -99.200 -91.000 PHE 261 1.000 -15.128 -15.690 -11.932 -99.200 -91.000 TRP 273 1.040 -24.957 2.634 -11.921 -99.200 -91.000 TRP6 273 1.020 -26.287 3.762 -10.318 -99.200 -91.000 TRP 285 1.040 -8.595 -2.219 -14.452 -99.200 -91.000 TRP6 285 1.020 -10.538 -2.183 -13.098 -99.200 -91.000 HIS 288 0.900 -2.085 -7.756 -2.277 -99.200 -91.000 TRP 313 1.040 0.353 -10.368 -14.166 -99.200 -91.000 TRP6 313 1.020 0.235 -12.472 -13.103 -99.200 -91.000 PHE 319 1.000 9.974 -4.682 -5.276 -99.200 -91.000 PHE 329 1.000 7.345 -1.713 -2.823 -99.200 -91.000 PHE 350 1.000 -9.411 -5.349 -7.356 -99.200 -91.000 PHE 352 1.000 -9.134 -9.728 -3.449 -99.200 -91.000 PHE 363 1.000 -5.760 4.756 -8.695 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1tedA1 ALA 22 HA -0.00 -0.11 0.23 -0.75 4.34 3.70 1tedA1 ALA 22 HB3 -0.00 -0.00 0.07 -0.04 1.41 1.44 1tedA1 GLN 23 H -0.00 0.09 0.06 -0.55 8.47 8.06 1tedA1 GLN 23 HA -0.00 0.22 0.77 -0.75 4.36 4.59 1tedA1 GLN 23 HB2 -0.00 -0.05 0.06 -0.04 2.15 2.13 1tedA1 GLN 23 HB3 -0.00 0.01 0.16 -0.04 2.02 2.15 1tedA1 GLN 23 HG2 -0.00 0.03 -0.04 -0.04 2.40 2.35 1tedA1 GLN 23 HG3 -0.00 0.00 -0.16 -0.04 2.39 2.19 1tedA1 GLN 23 HE21 -0.00 -0.04 -0.01 -0.04 6.97 6.88 1tedA1 GLN 23 HE22 -0.00 0.02 -0.01 -0.04 7.69 7.65 1tedA1 LEU 24 H -0.00 -0.02 -0.31 -0.55 8.37 7.49 1tedA1 LEU 24 HA -0.00 -0.00 0.32 -0.75 4.35 3.91 1tedA1 LEU 24 HB2 -0.00 0.01 -0.08 -0.04 1.64 1.52 1tedA1 LEU 24 HB3 -0.00 0.13 0.05 -0.04 1.64 1.78 1tedA1 LEU 24 HG -0.00 -0.13 0.02 -0.04 1.64 1.49 1tedA1 LEU 24 HD13 -0.00 0.01 -0.02 -0.04 0.93 0.88 1tedA1 LEU 24 HD23 -0.00 0.00 0.03 -0.04 0.89 0.87 1tedA1 PRO 25 HA -0.00 0.11 0.51 -0.51 4.44 4.54 1tedA1 PRO 25 HB2 -0.00 0.08 0.00 -0.04 2.28 2.32 1tedA1 PRO 25 HB3 -0.00 0.01 0.11 -0.04 2.02 2.09 1tedA1 PRO 25 HG2 0.00 0.00 0.07 -0.04 2.03 2.07 1tedA1 PRO 25 HG3 -0.00 0.02 0.07 -0.04 2.03 2.08 1tedA1 PRO 25 HD2 -0.00 0.08 0.17 -0.04 3.68 3.89 1tedA1 PRO 25 HD3 -0.00 0.02 0.21 -0.04 3.65 3.84 1tedA1 PRO 26 HA -0.01 0.00 0.41 -0.51 4.44 4.33 1tedA1 PRO 26 HB2 -0.02 0.07 -0.04 -0.04 2.28 2.26 1tedA1 PRO 26 HB3 -0.01 -0.01 0.10 -0.04 2.02 2.05 1tedA1 PRO 26 HG2 -0.01 -0.00 0.07 -0.04 2.03 2.05 1tedA1 PRO 26 HG3 -0.01 0.05 0.08 -0.04 2.03 2.11 1tedA1 PRO 26 HD2 -0.01 0.06 0.17 -0.04 3.68 3.87 1tedA1 PRO 26 HD3 -0.01 0.13 0.24 -0.04 3.65 3.97 1tedA1 ALA 27 H -0.01 0.02 0.14 -0.55 8.40 7.99 1tedA1 ALA 27 HA -0.01 0.09 0.43 -0.75 4.34 4.10 1tedA1 ALA 27 HB3 -0.01 -0.01 0.08 -0.04 1.41 1.43 1tedA1 PRO 28 HA -0.02 0.10 0.49 -0.51 4.44 4.49 1tedA1 PRO 28 HB2 -0.01 0.15 -0.01 -0.04 2.28 2.37 1tedA1 PRO 28 HB3 -0.01 -0.02 0.12 -0.04 2.02 2.07 1tedA1 PRO 28 HG2 -0.01 -0.01 0.08 -0.04 2.03 2.05 1tedA1 PRO 28 HG3 -0.01 0.04 0.09 -0.04 2.03 2.11 1tedA1 PRO 28 HD2 -0.01 0.05 0.17 -0.04 3.68 3.85 1tedA1 PRO 28 HD3 -0.01 0.09 0.25 -0.04 3.65 3.93 1tedA1 PRO 29 HA -0.04 0.01 0.47 -0.51 4.44 4.37 1tedA1 PRO 29 HB2 -0.04 -0.03 0.03 -0.04 2.28 2.20 1tedA1 PRO 29 HB3 -0.06 0.19 0.19 -0.04 2.02 2.30 1tedA1 PRO 29 HG2 -0.07 -0.00 -0.05 -0.04 2.03 1.87 1tedA1 PRO 29 HG3 -0.07 0.05 0.10 -0.04 2.03 2.07 1tedA1 PRO 29 HD2 -0.03 0.07 0.19 -0.04 3.68 3.86 1tedA1 PRO 29 HD3 -0.04 0.11 0.22 -0.04 3.65 3.90 1tedA1 THR 30 H -0.03 0.06 0.19 -0.55 8.28 7.96 1tedA1 THR 30 HA -0.02 0.29 0.92 -0.75 4.39 4.83 1tedA1 THR 30 HB -0.02 0.07 0.02 -0.04 4.32 4.35 1tedA1 THR 30 HG23 -0.01 -0.04 -0.03 -0.04 1.22 1.09 1tedA1 THR 31 H -0.03 0.05 -0.05 -0.55 8.28 7.70 1tedA1 THR 31 HA -0.01 0.07 0.70 -0.75 4.39 4.39 1tedA1 THR 31 HB -0.02 -0.06 0.03 -0.04 4.32 4.22 1tedA1 THR 31 HG23 -0.03 0.02 -0.12 -0.04 1.22 1.05 1tedA1 VAL 32 H -0.01 0.61 0.35 -0.55 8.24 8.64 1tedA1 VAL 32 HA -0.00 0.22 0.99 -0.75 4.13 4.59 1tedA1 VAL 32 HB 0.00 -0.04 0.01 -0.04 2.12 2.05 1tedA1 VAL 32 HG13 0.01 0.04 -0.06 -0.04 0.97 0.92 1tedA1 VAL 32 HG23 -0.00 0.01 -0.09 -0.04 0.95 0.83 1tedA1 ALA 33 H 0.01 0.21 0.16 -0.55 8.40 8.23 1tedA1 ALA 33 HA 0.00 0.20 0.63 -0.75 4.34 4.42 1tedA1 ALA 33 HB3 0.01 0.01 0.07 -0.04 1.41 1.45 1tedA1 VAL 34 H 0.01 0.61 0.38 -0.55 8.24 8.69 1tedA1 VAL 34 HA 0.01 0.18 1.06 -0.75 4.13 4.63 1tedA1 VAL 34 HB 0.02 0.03 -0.01 -0.04 2.12 2.12 1tedA1 VAL 34 HG13 0.02 -0.02 -0.38 -0.04 0.97 0.56 1tedA1 VAL 34 HG23 0.02 0.01 -0.30 -0.04 0.95 0.63 1tedA1 ILE 35 H -0.00 0.75 0.32 -0.55 8.25 8.76 1tedA1 ILE 35 HA -0.00 0.06 0.69 -0.75 4.18 4.18 1tedA1 ILE 35 HB -0.04 -0.00 0.25 -0.04 1.89 2.06 1tedA1 ILE 35 HG12 -0.04 -0.05 -0.04 -0.04 1.49 1.32 1tedA1 ILE 35 HG13 -0.03 -0.00 -0.04 -0.04 1.21 1.10 1tedA1 ILE 35 HG23 -0.04 -0.02 -0.10 -0.04 0.93 0.73 1tedA1 ILE 35 HD13 -0.12 -0.01 -0.09 -0.04 0.88 0.62 1tedA1 GLU 36 H 0.04 0.65 0.45 -0.55 8.60 9.19 1tedA1 GLU 36 HA 0.03 0.10 0.74 -0.75 4.29 4.41 1tedA1 GLU 36 HB2 0.18 0.02 0.02 -0.04 2.09 2.27 1tedA1 GLU 36 HB3 0.12 -0.03 0.06 -0.04 1.99 2.10 1tedA1 GLU 36 HG2 0.06 -0.07 -0.31 -0.04 2.34 1.97 1tedA1 GLU 36 HG3 0.06 0.19 0.03 -0.04 2.34 2.58 1tedA1 GLY 37 H 0.02 0.20 0.25 -0.55 8.43 8.36 1tedA1 GLY 37 HA2 -0.01 0.19 0.81 -0.51 4.01 4.49 1tedA1 GLY 37 HA3 0.01 0.20 0.36 -0.51 4.01 4.07 1tedA1 LEU 38 H -0.03 0.33 0.16 -0.55 8.37 8.27 1tedA1 LEU 38 HA -0.04 0.23 0.88 -0.75 4.35 4.66 1tedA1 LEU 38 HB2 -0.05 0.02 -0.19 -0.04 1.64 1.38 1tedA1 LEU 38 HB3 -0.06 0.03 0.03 -0.04 1.64 1.60 1tedA1 LEU 38 HG -0.07 0.01 0.04 -0.04 1.64 1.58 1tedA1 LEU 38 HD13 -0.09 -0.00 -0.11 -0.04 0.93 0.69 1tedA1 LEU 38 HD23 -0.11 0.01 -0.36 -0.04 0.89 0.39 1tedA1 ALA 39 H -0.06 0.45 0.32 -0.55 8.40 8.56 1tedA1 ALA 39 HA -0.09 0.22 0.92 -0.75 4.34 4.63 1tedA1 ALA 39 HB3 -0.05 0.02 -0.14 -0.04 1.41 1.20 1tedA1 THR 40 H -0.16 0.27 0.22 -0.55 8.28 8.06 1tedA1 THR 40 HA -0.23 0.20 1.07 -0.75 4.39 4.67 1tedA1 THR 40 HB -0.42 0.01 0.05 -0.04 4.32 3.92 1tedA1 THR 40 HG23 -1.32 -0.01 -0.14 -0.04 1.22 -0.29 1tedA1 GLY 41 H -0.02 0.55 0.38 -0.55 8.43 8.80 1tedA1 GLY 41 HA2 -0.02 0.10 0.59 -0.51 4.01 4.18 1tedA1 GLY 41 HA3 -0.01 0.03 0.29 -0.51 4.01 3.81 1tedA1 THR 42 H 0.07 0.36 0.21 -0.55 8.28 8.37 1tedA1 THR 42 HA 0.07 0.02 0.70 -0.75 4.39 4.42 1tedA1 THR 42 HB 0.12 0.11 0.17 -0.04 4.32 4.67 1tedA1 THR 42 HG23 0.19 -0.04 -0.16 -0.04 1.22 1.17 1tedA1 PRO 43 HA 0.04 0.08 0.46 -0.51 4.44 4.50 1tedA1 PRO 43 HB2 0.03 0.09 -0.23 -0.04 2.28 2.13 1tedA1 PRO 43 HB3 0.02 0.03 0.02 -0.04 2.02 2.05 1tedA1 PRO 43 HG2 0.03 0.04 -0.33 -0.04 2.03 1.73 1tedA1 PRO 43 HG3 -0.01 -0.16 -0.16 -0.04 2.03 1.67 1tedA1 PRO 43 HD2 0.04 0.22 -0.03 -0.04 3.68 3.87 1tedA1 PRO 43 HD3 0.02 0.09 -0.04 -0.04 3.65 3.67 1tedA1 ARG 44 H 0.05 0.08 0.15 -0.55 8.46 8.18 1tedA1 ARG 44 HA 0.06 0.18 0.46 -0.75 4.34 4.29 1tedA1 ARG 45 H 0.04 0.04 -0.12 -0.55 8.46 7.87 1tedA1 ARG 45 HA 0.04 0.01 0.43 -0.75 4.34 4.06 1tedA1 ARG 45 HB2 0.04 -0.04 0.07 -0.04 1.90 1.93 1tedA1 ARG 45 HB3 0.03 0.27 0.16 -0.04 1.80 2.22 1tedA1 ARG 45 HG2 0.04 -0.05 -0.25 -0.04 1.67 1.37 1tedA1 ARG 45 HG3 0.04 0.05 -0.20 -0.04 1.67 1.51 1tedA1 ARG 45 HD2 0.05 -0.05 -0.13 -0.04 3.22 3.05 1tedA1 ARG 45 HD3 0.05 -0.01 -0.06 -0.04 3.22 3.15 1tedA1 VAL 46 H 0.03 0.12 0.22 -0.55 8.24 8.07 1tedA1 VAL 46 HA 0.04 0.22 0.82 -0.75 4.13 4.45 1tedA1 VAL 46 HB 0.02 -0.07 0.20 -0.04 2.12 2.23 1tedA1 VAL 46 HG13 0.01 -0.02 -0.18 -0.04 0.97 0.74 1tedA1 VAL 46 HG23 0.03 0.07 -0.02 -0.04 0.95 0.99 1tedA1 VAL 47 H 0.04 0.73 0.31 -0.55 8.24 8.76 1tedA1 VAL 47 HA 0.03 0.08 0.91 -0.75 4.13 4.40 1tedA1 VAL 47 HB 0.06 0.12 0.11 -0.04 2.12 2.36 1tedA1 VAL 47 HG13 0.06 -0.01 -0.21 -0.04 0.97 0.78 1tedA1 VAL 47 HG23 0.05 -0.01 -0.12 -0.04 0.95 0.83 1tedA1 ASN 48 H 0.02 0.13 0.18 -0.55 8.53 8.31 1tedA1 ASN 48 HA 0.02 0.26 0.75 -0.75 4.76 5.04 1tedA1 ASN 48 HB2 0.01 0.10 0.14 -0.04 2.88 3.09 1tedA1 ASN 48 HB3 0.01 -0.12 0.22 -0.04 2.79 2.86 1tedA1 ASN 48 HD21 0.01 0.01 0.07 -0.04 7.03 7.08 1tedA1 ASN 48 HD22 0.00 0.05 0.06 -0.04 7.74 7.81 1tedA1 GLN 49 H 0.04 0.77 0.30 -0.55 8.47 9.03 1tedA1 GLN 49 HA 0.10 0.06 0.29 -0.75 4.36 4.06 1tedA1 GLN 49 HB2 0.08 0.02 -0.25 -0.04 2.15 1.96 1tedA1 GLN 49 HB3 0.07 -0.03 0.16 -0.04 2.02 2.19 1tedA1 GLN 49 HG2 0.14 0.20 0.09 -0.04 2.40 2.79 1tedA1 GLN 49 HG3 0.22 -0.13 -0.07 -0.04 2.39 2.37 1tedA1 GLN 49 HE21 0.09 0.50 0.16 -0.04 6.97 7.68 1tedA1 GLN 49 HE22 0.11 -0.12 0.10 -0.04 7.69 7.74 1tedA1 SER 50 H 0.02 0.13 -0.09 -0.55 8.46 7.98 1tedA1 SER 50 HA -0.01 0.12 0.48 -0.75 4.49 4.33 1tedA1 SER 50 HB2 -0.00 -0.06 0.10 -0.04 3.95 3.95 1tedA1 SER 50 HB3 -0.01 0.02 0.02 -0.04 3.93 3.93 1tedA1 ASP 51 H -0.01 0.08 -0.15 -0.55 8.40 7.77 1tedA1 ASP 51 HA -0.03 0.04 0.40 -0.75 4.63 4.29 1tedA1 ASP 51 HB2 -0.00 0.09 0.14 -0.04 2.71 2.91 1tedA1 ASP 51 HB3 -0.01 0.00 0.04 -0.04 2.70 2.70 1tedA1 ALA 52 H -0.01 0.72 -0.14 -0.55 8.40 8.42 1tedA1 ALA 52 HA -0.02 -0.05 0.31 -0.75 4.34 3.82 1tedA1 ALA 52 HB3 0.06 0.05 -0.01 -0.04 1.41 1.47 1tedA1 ALA 53 H -0.25 0.58 -0.21 -0.55 8.40 7.97 1tedA1 ALA 53 HA -1.10 0.03 0.33 -0.75 4.34 2.85 1tedA1 ALA 53 HB3 -0.31 0.03 0.07 -0.04 1.41 1.16 1tedA1 ASP 54 H -0.13 0.47 -0.13 -0.55 8.40 8.06 1tedA1 ASP 54 HA -0.08 0.02 0.42 -0.75 4.63 4.23 1tedA1 ASP 54 HB2 -0.06 0.07 0.17 -0.04 2.71 2.85 1tedA1 ASP 54 HB3 -0.05 -0.04 0.02 -0.04 2.70 2.59 1tedA1 ARG 55 H -0.09 0.68 -0.06 -0.55 8.46 8.44 1tedA1 ARG 55 HA -0.06 0.02 0.43 -0.75 4.34 3.97 1tedA1 ARG 55 HB2 -0.05 0.06 0.05 -0.04 1.90 1.92 1tedA1 ARG 55 HB3 -0.05 -0.05 0.03 -0.04 1.80 1.69 1tedA1 ARG 55 HG2 -0.04 -0.05 -0.01 -0.04 1.67 1.53 1tedA1 ARG 55 HG3 -0.04 0.30 0.07 -0.04 1.67 1.96 1tedA1 ARG 55 HD2 -0.01 -0.03 -0.10 -0.04 3.22 3.04 1tedA1 ARG 55 HD3 -0.01 -0.02 -0.04 -0.04 3.22 3.11 1tedA1 VAL 56 H -0.14 0.57 -0.22 -0.55 8.24 7.90 1tedA1 VAL 56 HA -0.17 0.03 0.55 -0.75 4.13 3.78 1tedA1 VAL 56 HB -0.13 0.09 0.09 -0.04 2.12 2.13 1tedA1 VAL 56 HG13 0.16 -0.02 -0.11 -0.04 0.97 0.96 1tedA1 VAL 56 HG23 0.12 0.04 -0.03 -0.04 0.95 1.04 1tedA1 ALA 57 H -0.11 0.56 -0.10 -0.55 8.40 8.20 1tedA1 ALA 57 HA -0.02 -0.04 0.38 -0.75 4.34 3.90 1tedA1 ALA 57 HB3 -0.05 0.01 0.12 -0.04 1.41 1.45 1tedA1 GLU 58 H -0.07 0.21 -0.57 -0.55 8.60 7.62 1tedA1 GLU 58 HA -0.04 0.00 0.43 -0.75 4.29 3.94 1tedA1 GLU 58 HB2 -0.06 0.12 0.02 -0.04 2.09 2.13 1tedA1 GLU 58 HB3 -0.04 -0.09 0.03 -0.04 1.99 1.85 1tedA1 GLU 58 HG2 -0.04 -0.06 -0.01 -0.04 2.34 2.19 1tedA1 GLU 58 HG3 -0.05 0.29 0.10 -0.04 2.34 2.63 1tedA1 LEU 59 H -0.09 0.27 -0.36 -0.55 8.37 7.65 1tedA1 LEU 59 HA -0.07 0.02 0.20 -0.75 4.35 3.75 1tedA1 LEU 59 HB2 -0.09 0.12 0.10 -0.04 1.64 1.74 1tedA1 LEU 59 HB3 -0.10 -0.04 0.07 -0.04 1.64 1.54 1tedA1 LEU 59 HG -0.22 0.12 0.18 -0.04 1.64 1.68 1tedA1 LEU 59 HD13 -0.62 -0.02 0.01 -0.04 0.93 0.26 1tedA1 LEU 59 HD23 -0.17 -0.02 -0.01 -0.04 0.89 0.63 1tedA1 GLY 64 HA2 -0.00 -0.03 0.20 -0.51 4.01 3.68 1tedA1 GLY 64 HA3 -0.00 -0.11 0.24 -0.51 4.01 3.63 1tedA1 GLN 65 H 0.00 0.14 0.03 -0.55 8.47 8.10 1tedA1 GLN 65 HA 0.00 0.21 0.95 -0.75 4.36 4.77 1tedA1 ARG 66 H 0.00 0.38 -0.00 -0.55 8.46 8.28 1tedA1 ARG 66 HA 0.01 0.09 0.54 -0.75 4.34 4.23 1tedA1 GLU 67 H 0.01 0.11 -0.82 -0.55 8.60 7.35 1tedA1 GLU 67 HA 0.01 0.09 0.36 -0.75 4.29 4.00 1tedA1 GLU 67 HB2 0.01 0.03 -0.05 -0.04 2.09 2.04 1tedA1 GLU 67 HB3 0.01 0.00 0.05 -0.04 1.99 2.01 1tedA1 GLU 67 HG2 0.00 -0.09 -0.02 -0.04 2.34 2.19 1tedA1 GLU 67 HG3 0.00 0.02 0.01 -0.04 2.34 2.34 1tedA1 ARG 68 H 0.02 0.18 -0.42 -0.55 8.46 7.69 1tedA1 ARG 68 HA 0.03 -0.01 0.35 -0.75 4.34 3.96 1tedA1 ARG 68 HB2 0.03 0.08 0.01 -0.04 1.90 1.97 1tedA1 ARG 68 HB3 0.02 -0.03 0.00 -0.04 1.80 1.76 1tedA1 ARG 68 HG2 0.01 -0.05 0.04 -0.04 1.67 1.62 1tedA1 ARG 68 HG3 0.01 0.04 0.09 -0.04 1.67 1.78 1tedA1 ARG 68 HD2 0.01 0.08 0.03 -0.04 3.22 3.31 1tedA1 ARG 68 HD3 0.01 -0.03 0.01 -0.04 3.22 3.18 1tedA1 ILE 69 H 0.05 0.38 -0.27 -0.55 8.25 7.86 1tedA1 ILE 69 HA 0.19 0.03 0.29 -0.75 4.18 3.94 1tedA1 ILE 69 HB 0.04 0.14 0.12 -0.04 1.89 2.15 1tedA1 ILE 69 HG12 0.05 -0.05 0.03 -0.04 1.49 1.48 1tedA1 ILE 69 HG13 0.04 0.11 -0.14 -0.04 1.21 1.18 1tedA1 ILE 69 HG23 0.05 -0.01 -0.17 -0.04 0.93 0.76 1tedA1 ILE 69 HD13 0.15 -0.02 -0.12 -0.04 0.88 0.85 1tedA1 PRO 70 HA 0.08 0.03 0.35 -0.51 4.44 4.39 1tedA1 PRO 70 HB2 0.03 0.04 0.05 -0.04 2.28 2.36 1tedA1 PRO 70 HB3 0.02 -0.01 0.05 -0.04 2.02 2.04 1tedA1 PRO 70 HG2 0.01 -0.00 0.04 -0.04 2.03 2.04 1tedA1 PRO 70 HG3 -0.00 0.04 0.02 -0.04 2.03 2.04 1tedA1 PRO 70 HD2 0.04 0.19 -0.13 -0.04 3.68 3.74 1tedA1 PRO 70 HD3 0.03 0.22 0.15 -0.04 3.65 4.01 1tedA1 ARG 71 H 0.06 0.37 -0.32 -0.55 8.46 8.02 1tedA1 ARG 71 HA 0.04 0.02 0.48 -0.75 4.34 4.13 1tedA1 ARG 71 HB2 0.03 0.07 0.13 -0.04 1.90 2.09 1tedA1 ARG 71 HB3 0.02 -0.05 0.02 -0.04 1.80 1.75 1tedA1 ARG 71 HG2 0.02 -0.05 0.02 -0.04 1.67 1.62 1tedA1 ARG 71 HG3 0.03 0.23 0.07 -0.04 1.67 1.96 1tedA1 ARG 71 HD2 0.02 -0.01 -0.00 -0.04 3.22 3.18 1tedA1 ARG 71 HD3 0.01 -0.04 -0.02 -0.04 3.22 3.13 1tedA1 VAL 72 H 0.06 0.50 -0.02 -0.55 8.24 8.23 1tedA1 VAL 72 HA -0.02 -0.03 0.37 -0.75 4.13 3.69 1tedA1 VAL 72 HB -0.01 -0.08 0.11 -0.04 2.12 2.10 1tedA1 VAL 72 HG13 0.06 0.10 0.03 -0.04 0.97 1.12 1tedA1 VAL 72 HG23 -0.12 -0.02 0.03 -0.04 0.95 0.80 1tedA1 TYR 73 H 0.11 0.18 -1.06 -0.55 8.29 6.98 1tedA1 TYR 73 HA 0.03 0.17 0.79 -0.75 4.56 4.80 1tedA1 TYR 73 HB2 0.02 0.15 -0.08 -0.04 3.06 3.11 1tedA1 TYR 73 HB3 0.03 -0.06 -0.05 -0.04 2.98 2.86 1tedA1 TYR 73 HD2 0.04 0.11 -0.06 -0.04 7.15 7.20 1tedA1 TYR 73 HE2 0.07 -0.02 -0.04 -0.04 6.85 6.82 1tedA1 GLN 74 H 0.12 0.49 0.29 -0.55 8.47 8.82 1tedA1 GLN 74 HA 0.08 0.10 0.65 -0.75 4.36 4.43 1tedA1 GLN 74 HB2 0.04 -0.05 0.17 -0.04 2.15 2.26 1tedA1 GLN 74 HB3 0.05 0.01 0.18 -0.04 2.02 2.22 1tedA1 GLN 74 HG2 0.06 0.34 0.40 -0.04 2.40 3.15 1tedA1 GLN 74 HG3 0.04 -0.02 0.03 -0.04 2.39 2.40 1tedA1 GLN 74 HE21 0.01 -0.03 -0.01 -0.04 6.97 6.90 1tedA1 GLN 74 HE22 0.02 -0.01 -0.00 -0.04 7.69 7.65 1tedA1 LYS 75 H 0.04 0.27 -0.11 -0.55 8.42 8.07 1tedA1 LYS 75 HA 0.03 0.16 0.75 -0.75 4.32 4.50 1tedA1 SER 76 H 0.04 0.33 -0.51 -0.55 8.46 7.77 1tedA1 SER 76 HA 0.03 0.05 0.49 -0.75 4.49 4.30 1tedA1 SER 76 HB2 0.01 0.05 0.04 -0.04 3.95 4.01 1tedA1 SER 76 HB3 -0.06 0.04 0.02 -0.04 3.93 3.89 1tedA1 ARG 77 H 0.06 0.16 -0.19 -0.55 8.46 7.94 1tedA1 ARG 77 HA 0.06 0.02 0.23 -0.75 4.34 3.89 1tedA1 ARG 77 HB2 0.26 0.19 0.18 -0.04 1.90 2.49 1tedA1 ARG 77 HB3 0.17 -0.05 0.17 -0.04 1.80 2.05 1tedA1 ARG 77 HG2 0.05 0.03 -0.18 -0.04 1.67 1.53 1tedA1 ARG 77 HG3 0.16 0.05 -0.34 -0.04 1.67 1.51 1tedA1 ARG 77 HD2 0.03 -0.05 -0.03 -0.04 3.22 3.12 1tedA1 ARG 77 HD3 -0.06 -0.03 0.00 -0.04 3.22 3.10 1tedA1 ILE 78 H 0.08 0.10 -0.14 -0.55 8.25 7.74 1tedA1 ILE 78 HA 0.07 0.19 0.94 -0.75 4.18 4.63 1tedA1 ILE 78 HB 0.08 -0.04 0.03 -0.04 1.89 1.92 1tedA1 ILE 78 HG12 0.07 0.31 0.01 -0.04 1.49 1.84 1tedA1 ILE 78 HG13 0.08 0.01 -0.42 -0.04 1.21 0.84 1tedA1 ILE 78 HG23 0.06 0.02 -0.24 -0.04 0.93 0.73 1tedA1 ILE 78 HD13 0.06 0.00 0.11 -0.04 0.88 1.01 1tedA1 THR 79 H 0.02 0.59 0.42 -0.55 8.28 8.77 1tedA1 THR 79 HA 0.03 0.04 0.89 -0.75 4.39 4.60 1tedA1 THR 79 HB -0.01 0.20 0.17 -0.04 4.32 4.64 1tedA1 THR 79 HG23 -0.00 -0.03 -0.04 -0.04 1.22 1.11 1tedA1 THR 80 H -0.02 0.68 0.36 -0.55 8.28 8.75 1tedA1 THR 80 HA 0.01 0.16 0.81 -0.75 4.39 4.62 1tedA1 THR 80 HB -0.03 -0.03 0.06 -0.04 4.32 4.27 1tedA1 THR 80 HG23 -0.02 -0.05 -0.18 -0.04 1.22 0.94 1tedA1 ARG 81 H 0.02 0.35 0.27 -0.55 8.46 8.55 1tedA1 ARG 81 HA 0.05 0.13 0.47 -0.75 4.34 4.24 1tedA1 ARG 81 HB2 0.07 -0.06 0.04 -0.04 1.90 1.91 1tedA1 ARG 81 HB3 0.06 0.14 -0.39 -0.04 1.80 1.58 1tedA1 ARG 81 HG2 0.07 -0.10 -0.43 -0.04 1.67 1.17 1tedA1 ARG 81 HG3 0.07 -0.10 -0.16 -0.04 1.67 1.44 1tedA1 ARG 81 HD2 0.08 0.10 -0.31 -0.04 3.22 3.04 1tedA1 ARG 81 HD3 0.08 0.04 -0.30 -0.04 3.22 3.00 1tedA1 ARG 82 H 0.13 0.21 0.30 -0.55 8.46 8.55 1tedA1 ARG 82 HA 0.07 0.38 1.05 -0.75 4.34 5.08 1tedA1 ARG 82 HB2 0.12 0.01 0.18 -0.04 1.90 2.17 1tedA1 ARG 82 HB3 0.09 0.12 -0.00 -0.04 1.80 1.97 1tedA1 ARG 82 HG2 0.32 -0.03 0.07 -0.04 1.67 1.98 1tedA1 ARG 82 HG3 0.25 0.01 -0.03 -0.04 1.67 1.86 1tedA1 ARG 82 HD2 0.09 0.18 -0.29 -0.04 3.22 3.16 1tedA1 ARG 82 HD3 0.07 -0.13 -0.38 -0.04 3.22 2.74 1tedA1 MET 83 H 0.04 0.49 0.19 -0.55 8.47 8.64 1tedA1 MET 83 HA -0.01 -0.03 0.92 -0.75 4.52 4.65 1tedA1 MET 83 HB2 0.02 0.01 0.02 -0.04 2.15 2.15 1tedA1 MET 83 HB3 -0.02 0.09 0.12 -0.04 2.03 2.18 1tedA1 MET 83 HG2 0.02 -0.03 -0.04 -0.04 2.63 2.54 1tedA1 MET 83 HG3 0.04 0.00 -0.66 -0.04 2.56 1.90 1tedA1 MET 83 HE3 0.08 0.04 -0.08 -0.04 2.10 2.10 1tedA1 ALA 84 H -0.08 0.08 0.16 -0.55 8.40 8.01 1tedA1 ALA 84 HA -0.07 0.05 0.48 -0.75 4.34 4.04 1tedA1 ALA 84 HB3 -0.27 0.00 0.07 -0.04 1.41 1.17 1tedA1 VAL 85 H -0.17 0.01 -0.13 -0.55 8.24 7.40 1tedA1 VAL 85 HA -0.09 0.19 0.78 -0.75 4.13 4.25 1tedA1 VAL 85 HB -0.31 -0.10 -0.17 -0.04 2.12 1.50 1tedA1 VAL 85 HG13 -0.76 0.01 -0.36 -0.04 0.97 -0.18 1tedA1 VAL 85 HG23 -0.34 0.02 -0.15 -0.04 0.95 0.44 1tedA1 ASP 86 H 0.15 0.16 0.03 -0.55 8.40 8.19 1tedA1 ASP 86 HA 0.06 0.23 0.71 -0.75 4.63 4.88 1tedA1 ASP 86 HB2 0.11 0.07 0.04 -0.04 2.71 2.89 1tedA1 ASP 86 HB3 0.21 -0.09 0.22 -0.04 2.70 3.00 1tedA1 PRO 87 HA 0.07 0.08 0.29 -0.51 4.44 4.37 1tedA1 PRO 87 HB2 0.59 0.07 -0.06 -0.04 2.28 2.84 1tedA1 PRO 87 HB3 0.11 0.08 0.10 -0.04 2.02 2.27 1tedA1 PRO 87 HG2 0.25 -0.02 0.02 -0.04 2.03 2.24 1tedA1 PRO 87 HG3 0.18 0.10 0.05 -0.04 2.03 2.32 1tedA1 PRO 87 HD2 0.08 0.07 0.24 -0.04 3.68 4.03 1tedA1 PRO 87 HD3 0.01 0.22 0.09 -0.04 3.65 3.93 1tedA1 LEU 88 H 0.14 0.05 -0.38 -0.55 8.37 7.63 1tedA1 LEU 88 HA 0.04 0.24 0.63 -0.75 4.35 4.51 1tedA1 LEU 88 HB2 0.03 -0.06 -0.07 -0.04 1.64 1.49 1tedA1 LEU 88 HB3 -0.04 0.05 0.06 -0.04 1.64 1.67 1tedA1 LEU 88 HG 0.07 -0.08 -0.12 -0.04 1.64 1.48 1tedA1 LEU 88 HD13 -0.07 0.03 -0.17 -0.04 0.93 0.68 1tedA1 LEU 88 HD23 -0.56 0.04 -0.19 -0.04 0.89 0.13 1tedA1 ASP 89 H 0.22 0.55 -0.32 -0.55 8.40 8.30 1tedA1 ASP 89 HA 0.09 0.03 0.34 -0.75 4.63 4.33 1tedA1 ASP 89 HB2 0.26 0.08 0.20 -0.04 2.71 3.20 1tedA1 ASP 89 HB3 0.32 -0.14 0.07 -0.04 2.70 2.91 1tedA1 ALA 90 H 0.03 0.11 0.17 -0.55 8.40 8.16 1tedA1 ALA 90 HA 0.02 0.16 0.37 -0.75 4.34 4.14 1tedA1 ALA 90 HB3 -0.01 0.00 0.11 -0.04 1.41 1.47 1tedA1 LYS 91 H -0.08 0.01 -0.19 -0.55 8.42 7.61 1tedA1 LYS 91 HA -0.08 0.11 0.39 -0.75 4.32 3.98 1tedA1 LYS 91 HB2 -0.37 0.05 -0.01 -0.04 1.87 1.51 1tedA1 LYS 91 HB3 -0.21 0.02 0.08 -0.04 1.79 1.63 1tedA1 LYS 91 HG2 -0.30 -0.08 0.03 -0.04 1.46 1.08 1tedA1 LYS 91 HG3 -1.23 -0.08 0.06 -0.04 1.46 0.17 1tedA1 LYS 91 HD2 -0.31 0.02 0.02 -0.04 1.69 1.38 1tedA1 LYS 91 HD3 -0.57 -0.00 0.02 -0.04 1.68 1.09 1tedA1 LYS 91 HE2 -1.66 0.01 -0.04 -0.04 2.99 1.26 1tedA1 LYS 91 HE3 -0.51 0.02 -0.03 -0.04 2.99 2.43 1tedA1 PHE 92 H -0.19 0.06 -0.13 -0.55 8.34 7.52 1tedA1 PHE 92 HA 0.19 -0.01 0.37 -0.75 4.62 4.42 1tedA1 PHE 92 HB2 0.12 0.15 -0.02 -0.04 3.15 3.36 1tedA1 PHE 92 HB3 0.21 0.07 0.03 -0.04 3.06 3.33 1tedA1 PHE 92 HD2 0.07 0.11 -0.00 -0.04 7.28 7.41 1tedA1 PHE 92 HE2 -0.04 -0.03 -0.01 -0.04 7.38 7.26 1tedA1 PHE 92 HZ 0.03 0.03 -0.02 -0.04 7.32 7.31 1tedA1 ASP 93 H 0.15 0.53 -0.47 -0.55 8.40 8.06 1tedA1 ASP 93 HA 0.14 0.08 0.36 -0.75 4.63 4.45 1tedA1 ASP 93 HB2 0.07 0.20 -0.02 -0.04 2.71 2.92 1tedA1 ASP 93 HB3 0.05 -0.03 -0.05 -0.04 2.70 2.63 1tedA1 VAL 94 H 0.14 0.34 -0.48 -0.55 8.24 7.70 1tedA1 VAL 94 HA 0.08 0.17 0.82 -0.75 4.13 4.44 1tedA1 VAL 94 HB 0.09 0.06 0.07 -0.04 2.12 2.29 1tedA1 VAL 94 HG13 0.06 -0.02 0.03 -0.04 0.97 1.00 1tedA1 VAL 94 HG23 0.04 0.03 -0.01 -0.04 0.95 0.97 1tedA1 PHE 95 H 0.31 0.16 0.01 -0.55 8.34 8.27 1tedA1 PHE 95 HA 0.09 0.08 0.64 -0.75 4.62 4.68 1tedA1 PHE 95 HB2 0.12 -0.04 0.06 -0.04 3.15 3.24 1tedA1 PHE 95 HB3 0.24 0.02 0.18 -0.04 3.06 3.46 1tedA1 PHE 95 HD2 0.19 0.02 -0.04 -0.04 7.28 7.40 1tedA1 PHE 95 HE2 0.10 -0.00 -0.02 -0.04 7.38 7.42 1tedA1 PHE 95 HZ 0.11 -0.05 -0.06 -0.04 7.32 7.27 1tedA1 ARG 96 H 0.26 0.89 0.22 -0.55 8.46 9.27 1tedA1 ARG 96 HA 0.00 0.08 0.42 -0.75 4.34 4.09 1tedA1 ARG 96 HB2 0.21 0.09 0.08 -0.04 1.90 2.23 1tedA1 ARG 96 HB3 0.18 0.02 -0.14 -0.04 1.80 1.82 1tedA1 ARG 96 HG2 0.33 0.05 -0.10 -0.04 1.67 1.91 1tedA1 ARG 96 HG3 0.23 0.09 -0.11 -0.04 1.67 1.84 1tedA1 ARG 96 HD2 0.34 -0.06 -0.03 -0.04 3.22 3.43 1tedA1 ARG 96 HD3 0.39 -0.11 -0.04 -0.04 3.22 3.42 1tedA1 ARG 97 H 0.05 0.07 -0.60 -0.55 8.46 7.43 1tedA1 ARG 97 HA 0.03 0.21 0.76 -0.75 4.34 4.58 1tedA1 ARG 97 HB2 0.04 0.06 -0.02 -0.04 1.90 1.94 1tedA1 ARG 97 HB3 0.03 -0.08 0.10 -0.04 1.80 1.81 1tedA1 ARG 97 HG2 0.05 0.05 -0.05 -0.04 1.67 1.68 1tedA1 ARG 97 HG3 0.05 0.05 -0.08 -0.04 1.67 1.65 1tedA1 ARG 97 HD2 0.02 -0.07 0.03 -0.04 3.22 3.16 1tedA1 ARG 97 HD3 0.02 -0.03 0.02 -0.04 3.22 3.19 1tedA1 GLU 98 H -0.08 0.31 -0.35 -0.55 8.60 7.93 1tedA1 GLU 98 HA 0.01 0.12 0.74 -0.75 4.29 4.41 1tedA1 GLU 98 HB2 -0.09 0.04 0.10 -0.04 2.09 2.10 1tedA1 GLU 98 HB3 0.01 0.01 0.08 -0.04 1.99 2.05 1tedA1 GLU 98 HG2 0.03 -0.04 -0.02 -0.04 2.34 2.27 1tedA1 GLU 98 HG3 0.04 0.25 0.17 -0.04 2.34 2.77 1tedA1 PRO 99 HA 0.26 0.06 0.58 -0.51 4.44 4.84 1tedA1 PRO 99 HB2 -0.06 -0.06 0.06 -0.04 2.28 2.18 1tedA1 PRO 99 HB3 0.06 0.05 0.07 -0.04 2.02 2.16 1tedA1 PRO 99 HG2 0.02 0.02 0.02 -0.04 2.03 2.04 1tedA1 PRO 99 HG3 -0.00 0.03 0.07 -0.04 2.03 2.08 1tedA1 PRO 99 HD2 0.02 0.08 0.24 -0.04 3.68 3.99 1tedA1 PRO 99 HD3 0.03 0.23 0.21 -0.04 3.65 4.08 1tedA1 ALA 100 H 0.61 0.00 0.02 -0.55 8.40 8.48 1tedA1 ALA 100 HA 0.16 -0.02 0.44 -0.75 4.34 4.15 1tedA1 ALA 100 HB3 0.05 0.05 0.03 -0.04 1.41 1.50 1tedA1 THR 101 H 0.02 0.17 -0.10 -0.55 8.28 7.82 1tedA1 THR 101 HA 0.10 0.15 0.85 -0.75 4.39 4.74 1tedA1 THR 101 HB -0.14 -0.11 0.13 -0.04 4.32 4.15 1tedA1 THR 101 HG23 -0.25 0.06 -0.16 -0.04 1.22 0.83 1tedA1 ILE 102 H 0.05 0.50 -0.04 -0.55 8.25 8.22 1tedA1 ILE 102 HA 0.04 0.08 0.23 -0.75 4.18 3.77 1tedA1 ILE 102 HB 0.02 0.09 -0.02 -0.04 1.89 1.94 1tedA1 ILE 102 HG12 0.04 0.00 -0.12 -0.04 1.49 1.37 1tedA1 ILE 102 HG13 0.03 -0.01 -0.26 -0.04 1.21 0.93 1tedA1 ILE 102 HG23 0.06 0.00 -0.02 -0.04 0.93 0.93 1tedA1 ILE 102 HD13 -0.01 -0.00 -0.02 -0.04 0.88 0.81 1tedA1 ARG 103 H 0.09 0.18 -0.18 -0.55 8.46 7.99 1tedA1 ARG 103 HA 0.04 0.08 0.42 -0.75 4.34 4.13 1tedA1 ARG 103 HB2 0.07 0.01 0.09 -0.04 1.90 2.03 1tedA1 ARG 103 HB3 0.12 0.05 0.05 -0.04 1.80 1.98 1tedA1 ARG 103 HG2 0.11 0.03 -0.01 -0.04 1.67 1.76 1tedA1 ARG 103 HG3 0.18 -0.01 -0.11 -0.04 1.67 1.69 1tedA1 ARG 103 HD2 -0.02 -0.00 0.08 -0.04 3.22 3.24 1tedA1 ARG 103 HD3 0.03 0.01 0.02 -0.04 3.22 3.24 1tedA1 ASP 104 H 0.19 0.22 -0.20 -0.55 8.40 8.07 1tedA1 ASP 104 HA 0.28 0.04 0.51 -0.75 4.63 4.70 1tedA1 ASP 104 HB2 0.41 0.17 0.13 -0.04 2.71 3.38 1tedA1 ASP 104 HB3 0.20 -0.00 0.03 -0.04 2.70 2.89 1tedA1 ARG 105 H 0.21 0.46 -0.22 -0.55 8.46 8.35 1tedA1 ARG 105 HA 0.22 0.05 0.53 -0.75 4.34 4.38 1tedA1 ARG 105 HB2 0.10 0.05 0.11 -0.04 1.90 2.12 1tedA1 ARG 105 HB3 0.10 0.03 0.05 -0.04 1.80 1.94 1tedA1 ARG 105 HG2 0.30 0.08 0.07 -0.04 1.67 2.08 1tedA1 ARG 105 HG3 0.36 0.00 -0.01 -0.04 1.67 1.98 1tedA1 ARG 105 HD2 0.02 -0.23 -0.47 -0.04 3.22 2.50 1tedA1 ARG 105 HD3 0.02 -0.02 -0.00 -0.04 3.22 3.18 1tedA1 MET 106 H 0.08 0.42 -0.18 -0.55 8.47 8.24 1tedA1 MET 106 HA 0.06 0.05 0.49 -0.75 4.52 4.36 1tedA1 MET 106 HB2 -0.09 0.06 0.09 -0.04 2.15 2.17 1tedA1 MET 106 HB3 -0.05 0.05 -0.05 -0.04 2.03 1.94 1tedA1 MET 106 HG2 -0.00 0.37 0.14 -0.04 2.63 3.10 1tedA1 MET 106 HG3 -0.02 -0.06 0.03 -0.04 2.56 2.47 1tedA1 MET 106 HE3 -0.09 -0.02 -0.13 -0.04 2.10 1.82 1tedA1 HIS 107 H 0.13 0.39 -0.23 -0.55 8.41 8.16 1tedA1 HIS 107 HA 0.14 0.01 0.50 -0.75 4.63 4.52 1tedA1 HIS 107 HB2 0.09 0.15 0.20 -0.04 3.26 3.67 1tedA1 HIS 107 HB3 0.08 -0.02 0.00 -0.04 3.20 3.22 1tedA1 HIS 107 HD2 0.06 0.03 -0.08 -0.04 6.97 6.93 1tedA1 HIS 107 HE1 -0.04 -0.01 -0.01 -0.04 7.75 7.65 1tedA1 LEU 108 H 0.22 0.49 -0.20 -0.55 8.37 8.33 1tedA1 LEU 108 HA 0.19 0.00 0.37 -0.75 4.35 4.16 1tedA1 LEU 108 HB2 0.17 0.08 0.28 -0.04 1.64 2.13 1tedA1 LEU 108 HB3 0.14 -0.02 -0.01 -0.04 1.64 1.70 1tedA1 LEU 108 HG 0.10 0.03 0.02 -0.04 1.64 1.75 1tedA1 LEU 108 HD13 0.07 -0.01 -0.01 -0.04 0.93 0.94 1tedA1 LEU 108 HD23 0.25 -0.03 0.01 -0.04 0.89 1.08 1tedA1 PHE 109 H 0.29 0.44 -0.39 -0.55 8.34 8.12 1tedA1 PHE 109 HA 0.06 -0.04 0.40 -0.75 4.62 4.29 1tedA1 PHE 109 HB2 -0.01 0.17 0.20 -0.04 3.15 3.47 1tedA1 PHE 109 HB3 0.03 0.17 0.23 -0.04 3.06 3.46 1tedA1 PHE 109 HD2 0.03 0.13 -0.10 -0.04 7.28 7.31 1tedA1 PHE 109 HE2 0.02 -0.10 -0.10 -0.04 7.38 7.16 1tedA1 PHE 109 HZ 0.01 0.03 -0.06 -0.04 7.32 7.25 1tedA1 TYR 110 H 0.40 0.65 -0.13 -0.55 8.29 8.65 1tedA1 TYR 110 HA -0.06 -0.12 0.31 -0.75 4.56 3.94 1tedA1 TYR 110 HB2 0.15 0.02 0.08 -0.04 3.06 3.28 1tedA1 TYR 110 HB3 0.12 0.12 0.14 -0.04 2.98 3.32 1tedA1 TYR 110 HD2 0.09 -0.06 -0.15 -0.04 7.15 7.00 1tedA1 TYR 110 HE2 0.04 0.03 -0.28 -0.04 6.85 6.59 1tedA1 GLU 111 H 0.18 0.70 -0.15 -0.55 8.60 8.79 1tedA1 GLU 111 HA -0.05 -0.01 0.33 -0.75 4.29 3.80 1tedA1 GLU 111 HB2 0.08 0.03 0.09 -0.04 2.09 2.24 1tedA1 GLU 111 HB3 -0.00 0.10 0.11 -0.04 1.99 2.15 1tedA1 GLU 111 HG2 -0.34 -0.00 -0.17 -0.04 2.34 1.79 1tedA1 GLU 111 HG3 -0.08 -0.03 0.02 -0.04 2.34 2.21 1tedA1 HIS 112 H 0.01 0.43 -0.24 -0.55 8.41 8.07 1tedA1 HIS 112 HA -0.09 0.15 0.77 -0.75 4.63 4.71 1tedA1 HIS 112 HB2 -0.11 0.07 0.08 -0.04 3.26 3.27 1tedA1 HIS 112 HB3 -0.09 -0.11 0.02 -0.04 3.20 2.98 1tedA1 HIS 112 HD2 -0.01 -0.04 0.05 -0.04 6.97 6.93 1tedA1 HIS 112 HE1 0.09 -0.03 -0.05 -0.04 7.75 7.71 1tedA1 ALA 113 H -0.34 0.74 0.01 -0.55 8.40 8.27 1tedA1 ALA 113 HA -0.27 -0.02 0.40 -0.75 4.34 3.71 1tedA1 ALA 113 HB3 -0.87 -0.03 0.01 -0.04 1.41 0.48 1tedA1 VAL 114 H -0.39 0.58 -0.08 -0.55 8.24 7.79 1tedA1 VAL 114 HA -0.22 -0.06 0.28 -0.75 4.13 3.37 1tedA1 VAL 114 HB -0.34 0.17 0.06 -0.04 2.12 1.97 1tedA1 VAL 114 HG13 -0.17 -0.01 -0.20 -0.04 0.97 0.55 1tedA1 VAL 114 HG23 -0.93 0.03 0.00 -0.04 0.95 0.00 1tedA1 PRO 115 HA -0.07 0.05 0.37 -0.51 4.44 4.28 1tedA1 PRO 115 HB2 -0.06 0.03 0.03 -0.04 2.28 2.24 1tedA1 PRO 115 HB3 -0.06 0.02 0.05 -0.04 2.02 1.99 1tedA1 PRO 115 HG2 -0.12 0.12 0.12 -0.04 2.03 2.10 1tedA1 PRO 115 HG3 -0.10 -0.00 0.06 -0.04 2.03 1.94 1tedA1 PRO 115 HD2 -0.16 0.13 -0.40 -0.04 3.68 3.21 1tedA1 PRO 115 HD3 -0.21 0.12 0.04 -0.04 3.65 3.55 1tedA1 LEU 116 H -0.08 0.37 -0.30 -0.55 8.37 7.81 1tedA1 LEU 116 HA -0.03 0.05 0.37 -0.75 4.35 3.99 1tedA1 LEU 116 HB2 -0.02 0.02 0.01 -0.04 1.64 1.61 1tedA1 LEU 116 HB3 -0.07 0.09 0.06 -0.04 1.64 1.68 1tedA1 LEU 116 HG -0.01 -0.03 -0.36 -0.04 1.64 1.20 1tedA1 LEU 116 HD13 0.01 -0.02 -0.28 -0.04 0.93 0.60 1tedA1 LEU 116 HD23 -0.01 -0.01 -0.23 -0.04 0.89 0.60 1tedA1 ALA 117 H -0.09 0.73 -0.06 -0.55 8.40 8.43 1tedA1 ALA 117 HA -0.03 -0.01 0.38 -0.75 4.34 3.93 1tedA1 ALA 117 HB3 -0.05 -0.01 -0.03 -0.04 1.41 1.27 1tedA1 VAL 118 H -0.06 0.69 -0.12 -0.55 8.24 8.20 1tedA1 VAL 118 HA -0.03 0.00 0.37 -0.75 4.13 3.72 1tedA1 VAL 118 HB -0.05 0.10 0.08 -0.04 2.12 2.20 1tedA1 VAL 118 HG13 -0.03 -0.00 -0.18 -0.04 0.97 0.72 1tedA1 VAL 118 HG23 -0.05 0.00 -0.08 -0.04 0.95 0.78 1tedA1 ASP 119 H -0.03 0.47 -0.27 -0.55 8.40 8.02 1tedA1 ASP 119 HA -0.02 0.05 0.37 -0.75 4.63 4.28 1tedA1 ASP 119 HB2 -0.02 0.01 0.08 -0.04 2.71 2.74 1tedA1 ASP 119 HB3 -0.02 0.08 0.15 -0.04 2.70 2.86 1tedA1 VAL 120 H -0.02 0.55 -0.14 -0.55 8.24 8.07 1tedA1 VAL 120 HA -0.03 0.05 0.27 -0.75 4.13 3.66 1tedA1 VAL 120 HB -0.02 0.02 -0.06 -0.04 2.12 2.03 1tedA1 VAL 120 HG13 -0.03 -0.04 -0.46 -0.04 0.97 0.40 1tedA1 VAL 120 HG23 -0.02 0.07 -0.18 -0.04 0.95 0.78 1tedA1 SER 121 H -0.02 0.59 -0.25 -0.55 8.46 8.23 1tedA1 SER 121 HA -0.01 -0.04 0.27 -0.75 4.49 3.95 1tedA1 SER 121 HB2 -0.02 0.14 0.05 -0.04 3.95 4.08 1tedA1 SER 121 HB3 -0.01 -0.04 -0.08 -0.04 3.93 3.76 1tedA1 LYS 122 H -0.02 0.46 -0.35 -0.55 8.42 7.96 1tedA1 LYS 122 HA -0.01 0.04 0.39 -0.75 4.32 3.98 1tedA1 LYS 122 HB2 -0.02 0.19 0.15 -0.04 1.87 2.16 1tedA1 LYS 122 HB3 -0.01 -0.05 -0.04 -0.04 1.79 1.64 1tedA1 LYS 122 HG2 -0.01 -0.02 0.00 -0.04 1.46 1.39 1tedA1 LYS 122 HG3 -0.01 0.14 0.04 -0.04 1.46 1.58 1tedA1 LYS 122 HD2 -0.02 -0.03 -0.07 -0.04 1.69 1.54 1tedA1 LYS 122 HD3 -0.01 -0.04 -0.04 -0.04 1.68 1.55 1tedA1 LYS 122 HE2 -0.01 0.05 -0.07 -0.04 2.99 2.91 1tedA1 LYS 122 HE3 -0.02 -0.03 -0.15 -0.04 2.99 2.76 1tedA1 ARG 123 H -0.02 0.44 -0.17 -0.55 8.46 8.15 1tedA1 ARG 123 HA -0.02 0.03 0.41 -0.75 4.34 4.00 1tedA1 ARG 123 HB2 -0.04 0.06 0.09 -0.04 1.90 1.96 1tedA1 ARG 123 HB3 -0.04 -0.04 0.07 -0.04 1.80 1.75 1tedA1 ARG 123 HG2 -0.03 -0.05 0.03 -0.04 1.67 1.58 1tedA1 ARG 123 HG3 -0.03 0.34 0.04 -0.04 1.67 1.99 1tedA1 ARG 123 HD2 -0.05 -0.01 -0.00 -0.04 3.22 3.12 1tedA1 ARG 123 HD3 -0.04 -0.02 0.03 -0.04 3.22 3.15 1tedA1 ALA 124 H -0.02 0.43 -0.36 -0.55 8.40 7.90 1tedA1 ALA 124 HA -0.03 0.03 0.23 -0.75 4.34 3.82 1tedA1 ALA 124 HB3 -0.01 0.00 -0.16 -0.04 1.41 1.19 1tedA1 LEU 125 H -0.01 0.34 -0.28 -0.55 8.37 7.88 1tedA1 LEU 125 HA 0.02 0.06 0.63 -0.75 4.35 4.31 1tedA1 LEU 125 HB2 0.00 0.09 0.08 -0.04 1.64 1.78 1tedA1 LEU 125 HB3 0.02 0.03 -0.01 -0.04 1.64 1.63 1tedA1 LEU 125 HG 0.02 -0.04 -0.12 -0.04 1.64 1.46 1tedA1 LEU 125 HD13 0.01 -0.00 -0.12 -0.04 0.93 0.78 1tedA1 LEU 125 HD23 0.09 -0.01 -0.09 -0.04 0.89 0.84 1tedA1 ALA 126 H -0.02 0.38 -0.17 -0.55 8.40 8.05 1tedA1 ALA 126 HA -0.02 -0.00 0.29 -0.75 4.34 3.85 1tedA1 ALA 126 HB3 -0.03 0.02 0.08 -0.04 1.41 1.45 1tedA1 GLY 127 H -0.04 0.12 -0.24 -0.55 8.43 7.73 1tedA1 GLY 127 HA2 -0.05 0.09 0.65 -0.51 4.01 4.18 1tedA1 GLY 127 HA3 -0.05 -0.04 0.30 -0.51 4.01 3.71 1tedA1 LEU 128 H -0.10 0.38 -0.11 -0.55 8.37 7.99 1tedA1 LEU 128 HA -0.28 0.11 0.62 -0.75 4.35 4.04 1tedA1 LEU 128 HB2 -0.18 0.12 0.13 -0.04 1.64 1.66 1tedA1 LEU 128 HB3 -1.06 -0.17 0.06 -0.04 1.64 0.43 1tedA1 LEU 128 HG -0.02 -0.07 -0.05 -0.04 1.64 1.45 1tedA1 LEU 128 HD13 -0.18 0.03 -0.08 -0.04 0.93 0.66 1tedA1 LEU 128 HD23 -0.01 -0.05 -0.01 -0.04 0.89 0.78 1tedA1 PRO 129 HA -0.09 0.17 0.53 -0.51 4.44 4.53 1tedA1 PRO 129 HB2 -0.05 -0.04 0.11 -0.04 2.28 2.26 1tedA1 PRO 129 HB3 -0.09 0.04 0.08 -0.04 2.02 2.00 1tedA1 PRO 129 HG2 -0.21 0.00 -0.09 -0.04 2.03 1.70 1tedA1 PRO 129 HG3 -0.13 0.01 0.05 -0.04 2.03 1.92 1tedA1 PRO 129 HD2 -0.79 0.06 0.20 -0.04 3.68 3.10 1tedA1 PRO 129 HD3 -0.26 0.21 0.21 -0.04 3.65 3.77 1tedA1 TYR 130 H -0.44 0.06 -0.41 -0.55 8.29 6.94 1tedA1 TYR 130 HA 0.00 -0.02 0.45 -0.75 4.56 4.24 1tedA1 TYR 130 HB2 0.00 0.02 -0.03 -0.04 3.06 3.01 1tedA1 TYR 130 HB3 0.01 0.02 -0.04 -0.04 2.98 2.92 1tedA1 TYR 130 HD2 0.00 0.00 -0.08 -0.04 7.15 7.04 1tedA1 TYR 130 HE2 0.00 -0.00 -0.06 -0.04 6.85 6.75 1tedA1 ARG 131 H 0.12 0.06 0.21 -0.55 8.46 8.30 1tedA1 ARG 131 HA 0.05 0.19 0.59 -0.75 4.34 4.41 1tedA1 ARG 131 HB2 0.05 0.12 0.15 -0.04 1.90 2.17 1tedA1 ARG 131 HB3 0.04 -0.12 0.06 -0.04 1.80 1.74 1tedA1 ARG 131 HG2 0.02 0.01 0.06 -0.04 1.67 1.72 1tedA1 ARG 131 HG3 0.02 -0.15 0.13 -0.04 1.67 1.63 1tedA1 ARG 131 HD2 0.02 0.11 0.09 -0.04 3.22 3.40 1tedA1 ARG 131 HD3 0.02 0.05 0.03 -0.04 3.22 3.28 1tedA1 ALA 132 H 0.03 0.19 0.15 -0.55 8.40 8.22 1tedA1 ALA 132 HA 0.03 0.12 0.34 -0.75 4.34 4.07 1tedA1 ALA 132 HB3 0.01 0.02 0.12 -0.04 1.41 1.52 1tedA1 ALA 133 H 0.02 0.06 -0.20 -0.55 8.40 7.73 1tedA1 ALA 133 HA 0.01 0.08 0.41 -0.75 4.34 4.08 1tedA1 ALA 133 HB3 0.01 0.00 0.03 -0.04 1.41 1.41 1tedA1 GLU 134 H 0.03 0.37 -0.46 -0.55 8.60 7.99 1tedA1 GLU 134 HA -0.00 0.13 0.56 -0.75 4.29 4.22 1tedA1 GLU 134 HB2 0.02 0.14 0.05 -0.04 2.09 2.26 1tedA1 GLU 134 HB3 -0.07 0.04 0.13 -0.04 1.99 2.06 1tedA1 GLU 134 HG2 0.01 0.07 0.02 -0.04 2.34 2.40 1tedA1 GLU 134 HG3 0.04 -0.14 0.00 -0.04 2.34 2.19 1tedA1 ILE 135 H 0.01 0.36 -0.30 -0.55 8.25 7.77 1tedA1 ILE 135 HA -0.02 0.11 0.74 -0.75 4.18 4.26 1tedA1 ILE 135 HB -0.00 0.07 0.19 -0.04 1.89 2.10 1tedA1 ILE 135 HG12 0.01 -0.02 -0.16 -0.04 1.49 1.28 1tedA1 ILE 135 HG13 0.03 0.05 -0.12 -0.04 1.21 1.13 1tedA1 ILE 135 HG23 -0.03 -0.03 -0.16 -0.04 0.93 0.67 1tedA1 ILE 135 HD13 0.04 -0.00 -0.11 -0.04 0.88 0.76 1tedA1 GLY 136 H 0.04 0.42 0.32 -0.55 8.43 8.67 1tedA1 GLY 136 HA2 -0.03 0.12 0.68 -0.51 4.01 4.27 1tedA1 GLY 136 HA3 0.08 0.02 0.34 -0.51 4.01 3.94 1tedA1 LEU 137 H -0.20 0.28 0.14 -0.55 8.37 8.04 1tedA1 LEU 137 HA -0.28 0.39 0.89 -0.75 4.35 4.60 1tedA1 LEU 137 HB2 -1.21 0.07 -0.19 -0.04 1.64 0.28 1tedA1 LEU 137 HB3 -0.59 -0.06 0.02 -0.04 1.64 0.97 1tedA1 LEU 137 HG -0.19 -0.07 -0.37 -0.04 1.64 0.96 1tedA1 LEU 137 HD13 -0.19 0.04 -0.21 -0.04 0.93 0.54 1tedA1 LEU 137 HD23 -0.18 -0.02 -0.19 -0.04 0.89 0.46 1tedA1 LEU 138 H -0.12 0.62 0.28 -0.55 8.37 8.59 1tedA1 LEU 138 HA -0.06 0.32 1.04 -0.75 4.35 4.90 1tedA1 LEU 138 HB2 -0.04 0.05 -0.07 -0.04 1.64 1.54 1tedA1 LEU 138 HB3 -0.05 0.04 0.09 -0.04 1.64 1.68 1tedA1 LEU 138 HG -0.02 -0.15 -0.28 -0.04 1.64 1.15 1tedA1 LEU 138 HD13 -0.02 0.03 -0.14 -0.04 0.93 0.77 1tedA1 LEU 138 HD23 -0.01 -0.02 -0.08 -0.04 0.89 0.74 1tedA1 VAL 139 H -0.04 0.76 0.39 -0.55 8.24 8.79 1tedA1 VAL 139 HA -0.03 0.25 1.14 -0.75 4.13 4.74 1tedA1 VAL 139 HB -0.02 -0.07 0.13 -0.04 2.12 2.12 1tedA1 VAL 139 HG13 -0.01 -0.01 -0.09 -0.04 0.97 0.82 1tedA1 VAL 139 HG23 -0.04 0.02 -0.16 -0.04 0.95 0.73 1tedA1 LEU 140 H 0.00 0.59 0.39 -0.55 8.37 8.81 1tedA1 LEU 140 HA 0.02 0.38 1.15 -0.75 4.35 5.15 1tedA1 LEU 140 HB2 0.02 0.04 -0.08 -0.04 1.64 1.58 1tedA1 LEU 140 HB3 0.04 -0.09 0.18 -0.04 1.64 1.73 1tedA1 LEU 140 HG 0.07 -0.20 -0.08 -0.04 1.64 1.39 1tedA1 LEU 140 HD13 0.11 -0.00 -0.27 -0.04 0.93 0.72 1tedA1 LEU 140 HD23 0.04 0.10 -0.04 -0.04 0.89 0.95 1tedA1 ALA 141 H 0.03 0.74 0.45 -0.55 8.40 9.07 1tedA1 ALA 141 HA 0.04 0.37 1.22 -0.75 4.34 5.21 1tedA1 ALA 141 HB3 0.02 -0.03 -0.00 -0.04 1.41 1.35 1tedA1 THR 142 H 0.08 0.68 0.45 -0.55 8.28 8.95 1tedA1 THR 142 HA 0.06 0.13 0.62 -0.75 4.39 4.45 1tedA1 THR 142 HB 0.05 -0.08 -0.03 -0.04 4.32 4.21 1tedA1 THR 142 HG23 0.01 -0.09 0.26 -0.04 1.22 1.37 1tedA1 SER 143 H 0.02 0.18 0.27 -0.55 8.46 8.37 1tedA1 SER 143 HA 0.39 0.06 0.83 -0.75 4.49 5.01 1tedA1 SER 143 HB2 0.05 0.04 0.04 -0.04 3.95 4.04 1tedA1 SER 143 HB3 0.19 0.13 0.21 -0.04 3.93 4.42 1tedA1 THR 144 H -0.19 -0.02 0.19 -0.55 8.28 7.71 1tedA1 THR 144 HA -0.26 0.33 0.97 -0.75 4.39 4.67 1tedA1 THR 144 HB -0.03 0.29 0.10 -0.04 4.32 4.64 1tedA1 THR 144 HG23 -0.02 -0.01 -0.22 -0.04 1.22 0.93 1tedA1 GLY 145 H -0.95 -0.07 -0.13 -0.55 8.43 6.74 1tedA1 GLY 145 HA2 -1.33 0.32 0.92 -0.51 4.01 3.42 1tedA1 GLY 145 HA3 -2.15 -0.10 0.31 -0.51 4.01 1.56 1tedA1 PHE 146 H -0.21 0.01 0.05 -0.55 8.34 7.64 1tedA1 PHE 146 HA -0.15 -0.03 0.36 -0.75 4.62 4.04 1tedA1 PHE 146 HB2 -0.18 0.21 0.47 -0.04 3.15 3.61 1tedA1 PHE 146 HB3 -0.17 0.00 0.03 -0.04 3.06 2.89 1tedA1 PHE 146 HD2 -0.24 0.00 -0.11 -0.04 7.28 6.90 1tedA1 PHE 146 HE2 -0.47 -0.01 -0.11 -0.04 7.38 6.75 1tedA1 PHE 146 HZ -1.17 -0.03 -0.06 -0.04 7.32 6.02 1tedA1 ILE 147 H 0.08 0.19 0.14 -0.55 8.25 8.11 1tedA1 ILE 147 HA -0.03 0.17 0.63 -0.75 4.18 4.19 1tedA1 ILE 147 HB -0.06 0.13 -0.29 -0.04 1.89 1.64 1tedA1 ILE 147 HG12 0.23 0.20 -0.22 -0.04 1.49 1.67 1tedA1 ILE 147 HG13 0.10 -0.32 -0.77 -0.04 1.21 0.19 1tedA1 ILE 147 HG23 -0.19 0.01 -0.05 -0.04 0.93 0.66 1tedA1 ILE 147 HD13 0.50 -0.01 -0.06 -0.04 0.88 1.27 1tedA1 ALA 148 H -0.07 0.12 0.02 -0.55 8.40 7.93 1tedA1 ALA 148 HA -0.03 0.02 0.23 -0.75 4.34 3.81 1tedA1 ALA 148 HB3 -0.05 0.02 0.14 -0.04 1.41 1.48 1tedA1 PRO 149 HA 0.01 0.01 0.61 -0.51 4.44 4.56 1tedA1 PRO 149 HB2 -0.02 0.02 0.10 -0.04 2.28 2.34 1tedA1 PRO 149 HB3 0.02 0.03 0.09 -0.04 2.02 2.12 1tedA1 PRO 149 HG2 -0.02 0.06 0.07 -0.04 2.03 2.10 1tedA1 PRO 149 HG3 -0.01 0.05 0.06 -0.04 2.03 2.09 1tedA1 PRO 149 HD2 -0.07 0.08 0.15 -0.04 3.68 3.79 1tedA1 PRO 149 HD3 -0.03 0.07 0.14 -0.04 3.65 3.79 1tedA1 GLY 150 H 0.06 0.03 0.23 -0.55 8.43 8.21 1tedA1 GLY 150 HA2 0.22 0.17 0.47 -0.51 4.01 4.35 1tedA1 GLY 150 HA3 0.15 -0.06 0.40 -0.51 4.01 3.99 1tedA1 VAL 151 H 0.24 0.13 0.10 -0.55 8.24 8.16 1tedA1 VAL 151 HA 0.05 0.15 0.37 -0.75 4.13 3.95 1tedA1 VAL 151 HB 0.13 -0.03 0.02 -0.04 2.12 2.19 1tedA1 VAL 151 HG13 -0.03 0.03 -0.19 -0.04 0.97 0.74 1tedA1 VAL 151 HG23 0.07 0.01 -0.05 -0.04 0.95 0.94 1tedA1 ASP 152 H 0.09 0.03 -0.20 -0.55 8.40 7.77 1tedA1 ASP 152 HA 0.03 0.12 0.29 -0.75 4.63 4.31 1tedA1 ASP 152 HB2 0.01 0.13 -0.07 -0.04 2.71 2.74 1tedA1 ASP 152 HB3 0.04 -0.03 0.01 -0.04 2.70 2.68 1tedA1 VAL 153 H 0.07 0.06 -0.29 -0.55 8.24 7.52 1tedA1 VAL 153 HA 0.03 0.12 0.33 -0.75 4.13 3.85 1tedA1 VAL 153 HB 0.08 0.10 -0.01 -0.04 2.12 2.25 1tedA1 VAL 153 HG13 0.04 0.02 -0.16 -0.04 0.97 0.83 1tedA1 VAL 153 HG23 0.03 -0.01 0.02 -0.04 0.95 0.95 1tedA1 ALA 154 H 0.09 0.29 -0.31 -0.55 8.40 7.93 1tedA1 ALA 154 HA 0.04 0.04 0.33 -0.75 4.34 4.01 1tedA1 ALA 154 HB3 0.02 0.03 0.01 -0.04 1.41 1.43 1tedA1 ILE 155 H 0.01 0.37 -0.35 -0.55 8.25 7.74 1tedA1 ILE 155 HA -0.01 0.03 0.39 -0.75 4.18 3.84 1tedA1 ILE 155 HB 0.00 0.12 0.07 -0.04 1.89 2.05 1tedA1 ILE 155 HG12 -0.02 -0.03 -0.19 -0.04 1.49 1.21 1tedA1 ILE 155 HG13 -0.01 0.27 -0.04 -0.04 1.21 1.40 1tedA1 ILE 155 HG23 -0.01 0.00 -0.22 -0.04 0.93 0.67 1tedA1 ILE 155 HD13 -0.00 -0.04 -0.19 -0.04 0.88 0.61 1tedA1 VAL 156 H 0.01 0.41 -0.14 -0.55 8.24 7.97 1tedA1 VAL 156 HA -0.00 -0.00 0.30 -0.75 4.13 3.67 1tedA1 VAL 156 HB 0.01 0.09 0.08 -0.04 2.12 2.25 1tedA1 VAL 156 HG13 -0.00 -0.00 -0.33 -0.04 0.97 0.59 1tedA1 VAL 156 HG23 -0.01 0.02 -0.07 -0.04 0.95 0.85 1tedA1 LYS 157 H 0.01 0.43 -0.20 -0.55 8.42 8.10 1tedA1 LYS 157 HA 0.01 0.08 0.41 -0.75 4.32 4.06 1tedA1 LYS 157 HB2 0.02 0.00 0.09 -0.04 1.87 1.94 1tedA1 LYS 157 HB3 0.01 -0.02 -0.04 -0.04 1.79 1.70 1tedA1 LYS 157 HG2 0.01 0.00 -0.02 -0.04 1.46 1.41 1tedA1 LYS 157 HG3 0.02 0.10 -0.01 -0.04 1.46 1.52 1tedA1 LYS 157 HD2 0.03 -0.05 -0.11 -0.04 1.69 1.53 1tedA1 LYS 157 HD3 0.02 -0.00 -0.05 -0.04 1.68 1.61 1tedA1 LYS 157 HE2 0.01 0.02 -0.04 -0.04 2.99 2.95 1tedA1 LYS 157 HE3 0.02 -0.03 -0.06 -0.04 2.99 2.88 1tedA1 GLU 158 H 0.00 0.66 -0.11 -0.55 8.60 8.60 1tedA1 GLU 158 HA -0.00 0.01 0.41 -0.75 4.29 3.96 1tedA1 GLU 158 HB2 -0.01 0.32 0.19 -0.04 2.09 2.54 1tedA1 GLU 158 HB3 -0.01 -0.01 0.03 -0.04 1.99 1.95 1tedA1 GLU 158 HG2 -0.03 -0.07 -0.05 -0.04 2.34 2.14 1tedA1 GLU 158 HG3 -0.02 0.01 -0.02 -0.04 2.34 2.28 1tedA1 LEU 159 H -0.00 0.72 -0.06 -0.55 8.37 8.47 1tedA1 LEU 159 HA -0.00 0.11 0.59 -0.75 4.35 4.29 1tedA1 LEU 159 HB2 -0.00 0.11 0.01 -0.04 1.64 1.72 1tedA1 LEU 159 HB3 -0.00 -0.02 -0.01 -0.04 1.64 1.57 1tedA1 LEU 159 HG -0.01 0.01 -0.04 -0.04 1.64 1.56 1tedA1 LEU 159 HD13 -0.01 0.00 -0.05 -0.04 0.93 0.83 1tedA1 LEU 159 HD23 -0.00 -0.03 -0.18 -0.04 0.89 0.63 1tedA1 GLY 160 H -0.00 0.21 -0.63 -0.55 8.43 7.47 1tedA1 GLY 160 HA2 0.00 0.04 0.29 -0.51 4.01 3.83 1tedA1 GLY 160 HA3 0.00 -0.03 0.37 -0.51 4.01 3.84 1tedA1 LEU 161 H -0.00 0.41 0.02 -0.55 8.37 8.25 1tedA1 LEU 161 HA 0.00 0.09 0.51 -0.75 4.35 4.19 1tedA1 LEU 161 HB2 -0.01 -0.09 0.00 -0.04 1.64 1.50 1tedA1 LEU 161 HB3 -0.01 0.03 0.06 -0.04 1.64 1.67 1tedA1 LEU 161 HG -0.00 0.00 -0.16 -0.04 1.64 1.44 1tedA1 LEU 161 HD13 -0.01 -0.03 -0.17 -0.04 0.93 0.69 1tedA1 LEU 161 HD23 0.00 0.04 -0.15 -0.04 0.89 0.74 1tedA1 SER 162 H -0.00 0.22 0.09 -0.55 8.46 8.22 1tedA1 SER 162 HA -0.00 0.13 0.41 -0.75 4.49 4.27 1tedA1 SER 162 HB2 -0.00 0.03 0.03 -0.04 3.95 3.96 1tedA1 SER 162 HB3 -0.01 0.11 0.08 -0.04 3.93 4.08 1tedA1 PRO 163 HA -0.00 0.08 0.34 -0.51 4.44 4.34 1tedA1 PRO 163 HB2 -0.00 0.00 -0.01 -0.04 2.28 2.22 1tedA1 PRO 163 HB3 -0.00 0.00 0.08 -0.04 2.02 2.06 1tedA1 PRO 163 HG2 -0.00 0.00 0.06 -0.04 2.03 2.05 1tedA1 PRO 163 HG3 -0.00 0.09 0.06 -0.04 2.03 2.14 1tedA1 PRO 163 HD2 -0.00 0.04 0.16 -0.04 3.68 3.84 1tedA1 PRO 163 HD3 -0.00 0.24 0.21 -0.04 3.65 4.06 1tedA1 SER 164 H -0.01 0.02 -0.56 -0.55 8.46 7.37 1tedA1 SER 164 HA -0.01 0.20 0.75 -0.75 4.49 4.67 1tedA1 SER 164 HB2 -0.01 0.01 0.11 -0.04 3.95 4.01 1tedA1 SER 164 HB3 -0.01 -0.05 -0.03 -0.04 3.93 3.80 1tedA1 ILE 165 H -0.02 0.45 -0.35 -0.55 8.25 7.78 1tedA1 ILE 165 HA -0.05 0.07 0.42 -0.75 4.18 3.87 1tedA1 ILE 165 HB -0.03 0.04 0.06 -0.04 1.89 1.92 1tedA1 ILE 165 HG12 -0.09 0.15 -0.36 -0.04 1.49 1.14 1tedA1 ILE 165 HG13 -0.08 -0.01 -0.25 -0.04 1.21 0.83 1tedA1 ILE 165 HG23 -0.03 -0.03 -0.23 -0.04 0.93 0.60 1tedA1 ILE 165 HD13 -0.05 -0.04 -0.28 -0.04 0.88 0.47 1tedA1 SER 166 H -0.12 0.65 0.27 -0.55 8.46 8.72 1tedA1 SER 166 HA -0.06 0.06 0.65 -0.75 4.49 4.39 1tedA1 SER 166 HB2 -0.23 -0.07 0.21 -0.04 3.95 3.82 1tedA1 SER 166 HB3 -0.08 -0.07 0.09 -0.04 3.93 3.84 1tedA1 ARG 167 H -0.04 0.22 0.21 -0.55 8.46 8.30 1tedA1 ARG 167 HA -0.06 0.25 1.03 -0.75 4.34 4.81 1tedA1 ARG 167 HB2 -0.02 -0.00 0.02 -0.04 1.90 1.85 1tedA1 ARG 167 HB3 -0.02 -0.11 -0.04 -0.04 1.80 1.59 1tedA1 ARG 167 HG2 -0.03 0.02 -0.08 -0.04 1.67 1.53 1tedA1 ARG 167 HG3 -0.04 0.12 -0.66 -0.04 1.67 1.06 1tedA1 ARG 167 HD2 -0.00 -0.18 -0.20 -0.04 3.22 2.79 1tedA1 ARG 167 HD3 -0.01 0.03 -0.20 -0.04 3.22 3.00 1tedA1 VAL 168 H -0.03 0.56 0.31 -0.55 8.24 8.53 1tedA1 VAL 168 HA -0.02 0.14 0.82 -0.75 4.13 4.32 1tedA1 VAL 168 HB -0.03 -0.05 0.07 -0.04 2.12 2.08 1tedA1 VAL 168 HG13 -0.01 -0.01 -0.16 -0.04 0.97 0.76 1tedA1 VAL 168 HG23 -0.03 0.02 -0.26 -0.04 0.95 0.63 1tedA1 VAL 169 H -0.01 0.22 0.16 -0.55 8.24 8.06 1tedA1 VAL 169 HA 0.01 0.22 1.11 -0.75 4.13 4.72 1tedA1 VAL 169 HB -0.01 0.03 0.18 -0.04 2.12 2.27 1tedA1 VAL 169 HG13 0.02 -0.02 -0.10 -0.04 0.97 0.83 1tedA1 VAL 169 HG23 0.02 -0.01 -0.03 -0.04 0.95 0.88 1tedA1 VAL 170 H 0.02 0.87 0.40 -0.55 8.24 8.98 1tedA1 VAL 170 HA 0.00 0.19 0.96 -0.75 4.13 4.52 1tedA1 VAL 170 HB 0.02 -0.06 0.15 -0.04 2.12 2.19 1tedA1 VAL 170 HG13 0.02 -0.03 -0.16 -0.04 0.97 0.76 1tedA1 VAL 170 HG23 -0.00 0.03 -0.21 -0.04 0.95 0.73 1tedA1 ASN 171 H -0.01 0.29 0.18 -0.55 8.53 8.44 1tedA1 ASN 171 HA 0.14 0.41 1.17 -0.75 4.76 5.72 1tedA1 ASN 171 HB2 -0.22 0.07 0.06 -0.04 2.88 2.75 1tedA1 ASN 171 HB3 -0.17 -0.03 0.06 -0.04 2.79 2.61 1tedA1 ASN 171 HD21 -0.05 -0.02 -0.08 -0.04 7.03 6.83 1tedA1 ASN 171 HD22 -0.19 0.09 -0.05 -0.04 7.74 7.56 1tedA1 PHE 172 H 0.43 0.24 0.39 -0.55 8.34 8.85 1tedA1 PHE 172 HA 0.08 -0.08 0.45 -0.75 4.62 4.32 1tedA1 PHE 172 HB2 -0.01 0.07 -0.33 -0.04 3.15 2.84 1tedA1 PHE 172 HB3 0.02 0.06 0.27 -0.04 3.06 3.36 1tedA1 PHE 172 HD2 0.12 -0.05 0.12 -0.04 7.28 7.43 1tedA1 PHE 172 HE2 0.09 0.13 -0.04 -0.04 7.38 7.52 1tedA1 PHE 172 HZ 0.15 0.08 -0.19 -0.04 7.32 7.31 1tedA1 MET 173 H 0.11 0.12 -0.30 -0.55 8.47 7.85 1tedA1 MET 173 HA 0.03 0.27 0.79 -0.75 4.52 4.86 1tedA1 MET 173 HB2 0.02 -0.06 -0.08 -0.04 2.15 1.99 1tedA1 MET 173 HB3 0.00 -0.02 0.03 -0.04 2.03 2.00 1tedA1 MET 173 HG2 0.04 0.11 -0.13 -0.04 2.63 2.61 1tedA1 MET 173 HG3 0.04 0.07 -0.22 -0.04 2.56 2.41 1tedA1 MET 173 HE3 0.00 0.01 -0.05 -0.04 2.10 2.03 1tedA1 GLY 174 H 0.04 -0.03 -0.27 -0.55 8.43 7.63 1tedA1 GLY 174 HA2 -0.04 0.05 0.25 -0.51 4.01 3.76 1tedA1 GLY 174 HA3 -0.06 0.10 0.31 -0.51 4.01 3.86 1tedA1 CYS 175 H -0.11 0.29 0.17 -0.55 8.50 8.30 1tedA1 CYS 175 HA -0.22 -0.13 0.14 -0.75 4.58 3.61 1tedA1 CYS 175 HB2 -0.25 0.30 0.13 -0.04 2.97 3.11 1tedA1 CYS 175 HB3 -1.01 0.02 0.01 -0.04 2.97 1.95 1tedA1 ALA 176 H -0.11 0.26 -0.43 -0.55 8.40 7.57 1tedA1 ALA 176 HA -0.16 0.20 0.71 -0.75 4.34 4.33 1tedA1 ALA 176 HB3 -0.10 0.01 -0.27 -0.04 1.41 1.01 1tedA1 ALA 177 H -0.07 0.42 -0.43 -0.55 8.40 7.77 1tedA1 ALA 177 HA -0.03 0.06 0.23 -0.75 4.34 3.85 1tedA1 ALA 177 HB3 -0.01 -0.01 -0.11 -0.04 1.41 1.24 1tedA1 ALA 178 H -0.06 0.19 -0.37 -0.55 8.40 7.61 1tedA1 ALA 178 HA -0.03 0.06 0.30 -0.75 4.34 3.91 1tedA1 ALA 178 HB3 -0.04 0.07 -0.05 -0.04 1.41 1.35 1tedA1 MET 179 H -0.07 0.30 -0.37 -0.55 8.47 7.78 1tedA1 MET 179 HA -0.07 0.12 0.36 -0.75 4.52 4.17 1tedA1 MET 179 HB2 -0.10 0.14 0.02 -0.04 2.15 2.16 1tedA1 MET 179 HB3 -0.13 0.07 -0.11 -0.04 2.03 1.82 1tedA1 MET 179 HG2 -0.10 -0.09 -0.17 -0.04 2.63 2.23 1tedA1 MET 179 HG3 -0.15 0.04 -0.47 -0.04 2.56 1.94 1tedA1 MET 179 HE3 -0.07 -0.02 -0.31 -0.04 2.10 1.65 1tedA1 ASN 180 H -0.05 0.19 -0.17 -0.55 8.53 7.95 1tedA1 ASN 180 HA -0.03 0.11 0.35 -0.75 4.76 4.43 1tedA1 ASN 180 HB2 -0.02 0.00 0.03 -0.04 2.88 2.85 1tedA1 ASN 180 HB3 -0.01 0.03 -0.05 -0.04 2.79 2.72 1tedA1 ASN 180 HD21 -0.02 0.00 -0.09 -0.04 7.03 6.88 1tedA1 ASN 180 HD22 -0.02 0.04 -0.05 -0.04 7.74 7.67 1tedA1 ALA 181 H -0.02 0.54 -0.25 -0.55 8.40 8.13 1tedA1 ALA 181 HA -0.01 0.04 0.33 -0.75 4.34 3.94 1tedA1 ALA 181 HB3 -0.01 0.01 -0.03 -0.04 1.41 1.34 1tedA1 LEU 182 H -0.03 0.63 -0.18 -0.55 8.37 8.24 1tedA1 LEU 182 HA -0.02 -0.01 0.29 -0.75 4.35 3.86 1tedA1 LEU 182 HB2 -0.04 0.04 0.04 -0.04 1.64 1.64 1tedA1 LEU 182 HB3 -0.04 0.06 0.07 -0.04 1.64 1.69 1tedA1 LEU 182 HG -0.02 0.02 -0.31 -0.04 1.64 1.29 1tedA1 LEU 182 HD13 -0.02 -0.02 -0.07 -0.04 0.93 0.78 1tedA1 LEU 182 HD23 -0.05 -0.00 -0.15 -0.04 0.89 0.65 1tedA1 GLY 183 H -0.02 0.50 -0.41 -0.55 8.43 7.95 1tedA1 GLY 183 HA2 -0.00 0.04 0.34 -0.51 4.01 3.88 1tedA1 GLY 183 HA3 -0.01 0.08 0.24 -0.51 4.01 3.81 1tedA1 THR 184 H -0.00 0.39 -0.38 -0.55 8.28 7.74 1tedA1 THR 184 HA 0.03 0.04 0.41 -0.75 4.39 4.11 1tedA1 THR 184 HB -0.00 0.16 0.12 -0.04 4.32 4.56 1tedA1 THR 184 HG23 0.01 -0.02 -0.12 -0.04 1.22 1.04 1tedA1 ALA 185 H 0.01 0.43 -0.17 -0.55 8.40 8.13 1tedA1 ALA 185 HA 0.06 0.02 0.32 -0.75 4.34 3.98 1tedA1 ALA 185 HB3 0.01 0.02 -0.05 -0.04 1.41 1.35 1tedA1 THR 186 H 0.03 0.44 -0.38 -0.55 8.28 7.83 1tedA1 THR 186 HA 0.03 0.00 0.33 -0.75 4.39 4.00 1tedA1 THR 186 HB 0.01 0.10 0.14 -0.04 4.32 4.54 1tedA1 THR 186 HG23 0.01 -0.01 -0.18 -0.04 1.22 1.00 1tedA1 ASN 187 H 0.04 0.47 -0.17 -0.55 8.53 8.33 1tedA1 ASN 187 HA 0.00 0.07 0.39 -0.75 4.76 4.47 1tedA1 ASN 187 HB2 0.05 0.04 0.10 -0.04 2.88 3.03 1tedA1 ASN 187 HB3 0.02 -0.02 -0.00 -0.04 2.79 2.74 1tedA1 ASN 187 HD21 0.01 -0.07 -0.06 -0.04 7.03 6.87 1tedA1 ASN 187 HD22 0.03 -0.06 -0.02 -0.04 7.74 7.65 1tedA1 TYR 188 H 0.17 0.44 -0.24 -0.55 8.29 8.12 1tedA1 TYR 188 HA 0.10 0.02 0.30 -0.75 4.56 4.21 1tedA1 TYR 188 HB2 0.05 -0.00 0.03 -0.04 3.06 3.10 1tedA1 TYR 188 HB3 0.03 0.06 0.07 -0.04 2.98 3.09 1tedA1 TYR 188 HD2 0.06 0.00 -0.19 -0.04 7.15 6.98 1tedA1 TYR 188 HE2 -0.13 0.01 -0.12 -0.04 6.85 6.57 1tedA1 VAL 189 H 0.15 0.55 -0.24 -0.55 8.24 8.15 1tedA1 VAL 189 HA -0.10 0.14 0.23 -0.75 4.13 3.65 1tedA1 VAL 189 HB 0.07 0.20 -0.01 -0.04 2.12 2.34 1tedA1 VAL 189 HG13 -0.01 -0.02 -0.50 -0.04 0.97 0.40 1tedA1 VAL 189 HG23 0.11 0.04 -0.23 -0.04 0.95 0.82 1tedA1 ARG 190 H -0.04 0.43 -0.37 -0.55 8.46 7.94 1tedA1 ARG 190 HA -0.06 -0.01 0.39 -0.75 4.34 3.91 1tedA1 ARG 190 HB2 -0.04 0.07 0.05 -0.04 1.90 1.94 1tedA1 ARG 190 HB3 -0.04 -0.05 0.01 -0.04 1.80 1.67 1tedA1 ARG 190 HG2 -0.02 -0.11 -0.25 -0.04 1.67 1.25 1tedA1 ARG 190 HG3 -0.01 0.15 -0.02 -0.04 1.67 1.74 1tedA1 ARG 190 HD2 -0.00 -0.17 -0.02 -0.04 3.22 2.99 1tedA1 ARG 190 HD3 -0.01 -0.02 -0.09 -0.04 3.22 3.06 1tedA1 ALA 191 H -0.19 0.38 -0.35 -0.55 8.40 7.70 1tedA1 ALA 191 HA -0.23 0.04 0.60 -0.75 4.34 4.00 1tedA1 ALA 191 HB3 -0.40 -0.01 0.08 -0.04 1.41 1.03 1tedA1 HIS 192 H -0.36 0.54 -0.16 -0.55 8.41 7.88 1tedA1 HIS 192 HA -0.15 0.13 0.82 -0.75 4.63 4.67 1tedA1 HIS 192 HB2 -0.61 -0.00 0.19 -0.04 3.26 2.80 1tedA1 HIS 192 HB3 -0.22 -0.08 0.11 -0.04 3.20 2.97 1tedA1 HIS 192 HD2 -0.10 -0.01 -0.03 -0.04 6.97 6.79 1tedA1 HIS 192 HE1 -0.03 -0.05 -0.04 -0.04 7.75 7.59 1tedA1 PRO 193 HA -0.06 0.19 0.43 -0.51 4.44 4.49 1tedA1 PRO 193 HB2 -0.03 -0.03 -0.04 -0.04 2.28 2.13 1tedA1 PRO 193 HB3 -0.04 -0.05 0.06 -0.04 2.02 1.95 1tedA1 PRO 193 HG2 -0.05 -0.03 0.01 -0.04 2.03 1.92 1tedA1 PRO 193 HG3 -0.07 0.14 -0.01 -0.04 2.03 2.05 1tedA1 PRO 193 HD2 -0.06 0.02 0.07 -0.04 3.68 3.67 1tedA1 PRO 193 HD3 -0.14 0.34 -0.75 -0.04 3.65 3.07 1tedA1 ALA 194 H -0.03 0.04 -0.43 -0.55 8.40 7.44 1tedA1 ALA 194 HA -0.03 0.17 0.83 -0.75 4.34 4.55 1tedA1 ALA 194 HB3 -0.01 -0.02 0.06 -0.04 1.41 1.39 1tedA1 MET 195 H -0.04 0.50 0.03 -0.55 8.47 8.41 1tedA1 MET 195 HA -0.03 0.27 1.11 -0.75 4.52 5.11 1tedA1 MET 195 HB2 0.07 0.04 0.07 -0.04 2.15 2.29 1tedA1 MET 195 HB3 0.17 -0.07 0.24 -0.04 2.03 2.33 1tedA1 MET 195 HG2 -0.01 -0.15 -0.09 -0.04 2.63 2.34 1tedA1 MET 195 HG3 0.01 -0.03 0.00 -0.04 2.56 2.50 1tedA1 MET 195 HE3 0.04 -0.01 -0.08 -0.04 2.10 2.01 1tedA1 LYS 196 H 0.01 0.58 0.54 -0.55 8.42 9.00 1tedA1 LYS 196 HA -0.04 0.30 1.10 -0.75 4.32 4.92 1tedA1 LYS 196 HB2 -0.12 -0.11 -0.05 -0.04 1.87 1.55 1tedA1 LYS 196 HB3 -0.16 0.06 0.12 -0.04 1.79 1.78 1tedA1 LYS 196 HG2 -0.37 0.03 -0.18 -0.04 1.46 0.90 1tedA1 LYS 196 HG3 -1.01 -0.07 -0.10 -0.04 1.46 0.24 1tedA1 LYS 196 HD2 -0.55 -0.05 -0.07 -0.04 1.69 0.97 1tedA1 LYS 196 HD3 -0.25 0.21 -0.02 -0.04 1.68 1.59 1tedA1 LYS 196 HE2 -0.36 0.07 -0.18 -0.04 2.99 2.48 1tedA1 LYS 196 HE3 -1.28 -0.08 -0.07 -0.04 2.99 1.52 1tedA1 ALA 197 H 0.01 0.59 0.40 -0.55 8.40 8.85 1tedA1 ALA 197 HA -0.07 0.17 1.07 -0.75 4.34 4.75 1tedA1 ALA 197 HB3 0.02 -0.02 -0.03 -0.04 1.41 1.34 1tedA1 LEU 198 H -0.06 0.87 0.43 -0.55 8.37 9.07 1tedA1 LEU 198 HA -0.01 0.29 1.11 -0.75 4.35 4.98 1tedA1 LEU 198 HB2 -0.01 0.04 0.02 -0.04 1.64 1.65 1tedA1 LEU 198 HB3 -0.03 -0.01 0.22 -0.04 1.64 1.78 1tedA1 LEU 198 HG -0.01 -0.08 -0.30 -0.04 1.64 1.20 1tedA1 LEU 198 HD13 -0.00 0.04 -0.03 -0.04 0.93 0.90 1tedA1 LEU 198 HD23 -0.01 -0.01 -0.11 -0.04 0.89 0.72 1tedA1 VAL 199 H -0.01 0.80 0.41 -0.55 8.24 8.88 1tedA1 VAL 199 HA -0.02 0.17 1.07 -0.75 4.13 4.59 1tedA1 VAL 199 HB -0.02 -0.03 0.13 -0.04 2.12 2.16 1tedA1 VAL 199 HG13 -0.01 -0.02 -0.20 -0.04 0.97 0.70 1tedA1 VAL 199 HG23 -0.02 0.01 -0.23 -0.04 0.95 0.67 1tedA1 VAL 200 H -0.00 0.82 0.40 -0.55 8.24 8.91 1tedA1 VAL 200 HA -0.00 0.32 1.20 -0.75 4.13 4.89 1tedA1 VAL 200 HB 0.01 -0.07 0.09 -0.04 2.12 2.10 1tedA1 VAL 200 HG13 0.00 -0.02 -0.18 -0.04 0.97 0.74 1tedA1 VAL 200 HG23 -0.01 0.01 -0.29 -0.04 0.95 0.62 1tedA1 CYS 201 H 0.01 0.84 0.37 -0.55 8.50 9.17 1tedA1 CYS 201 HA 0.02 0.17 0.99 -0.75 4.58 5.02 1tedA1 CYS 201 HB2 0.01 0.04 0.06 -0.04 2.97 3.04 1tedA1 CYS 201 HB3 0.00 -0.13 -0.15 -0.04 2.97 2.65 1tedA1 ILE 202 H 0.06 0.55 0.31 -0.55 8.25 8.62 1tedA1 ILE 202 HA 0.02 0.28 1.10 -0.75 4.18 4.83 1tedA1 ILE 202 HB 0.01 0.06 -0.09 -0.04 1.89 1.84 1tedA1 ILE 202 HG12 -0.13 -0.06 -0.07 -0.04 1.49 1.19 1tedA1 ILE 202 HG13 0.02 -0.07 -0.34 -0.04 1.21 0.78 1tedA1 ILE 202 HG23 0.16 -0.03 0.05 -0.04 0.93 1.07 1tedA1 ILE 202 HD13 -0.06 0.05 -0.04 -0.04 0.88 0.79 1tedA1 GLU 203 H 0.01 0.89 0.38 -0.55 8.60 9.34 1tedA1 GLU 203 HA 0.11 -0.02 1.07 -0.75 4.29 4.70 1tedA1 GLU 203 HB2 -0.02 -0.01 -0.05 -0.04 2.09 1.97 1tedA1 GLU 203 HB3 -0.04 0.09 0.13 -0.04 1.99 2.13 1tedA1 GLU 203 HG2 -0.08 -0.01 -0.20 -0.04 2.34 2.01 1tedA1 GLU 203 HG3 -0.03 0.01 -0.04 -0.04 2.34 2.25 1tedA1 LEU 204 H 0.20 0.14 0.06 -0.55 8.37 8.22 1tedA1 LEU 204 HA 0.02 0.16 1.02 -0.75 4.35 4.79 1tedA1 LEU 204 HB2 0.28 0.01 0.11 -0.04 1.64 1.99 1tedA1 LEU 204 HB3 0.10 -0.01 0.16 -0.04 1.64 1.84 1tedA1 LEU 204 HG -0.05 -0.06 0.02 -0.04 1.64 1.50 1tedA1 LEU 204 HD13 -0.05 0.07 -0.28 -0.04 0.93 0.63 1tedA1 LEU 204 HD23 -0.29 0.02 -0.09 -0.04 0.89 0.49 1tedA1 CYS 205 H 0.00 0.37 -0.06 -0.55 8.50 8.27 1tedA1 CYS 205 HA 0.00 0.10 0.48 -0.75 4.58 4.41 1tedA1 CYS 205 HB2 0.02 0.10 -0.11 -0.04 2.97 2.93 1tedA1 CYS 205 HB3 0.06 0.06 -0.08 -0.04 2.97 2.97 1tedA1 SER 206 H -0.03 0.10 -0.07 -0.55 8.46 7.92 1tedA1 SER 206 HA -0.09 0.14 0.32 -0.75 4.49 4.11 1tedA1 SER 206 HB2 -0.08 0.21 0.12 -0.04 3.95 4.16 1tedA1 SER 206 HB3 -0.04 0.09 0.18 -0.04 3.93 4.12 1tedA1 VAL 207 H -0.03 0.07 -0.73 -0.55 8.24 6.99 1tedA1 VAL 207 HA -0.09 0.05 0.40 -0.75 4.13 3.74 1tedA1 VAL 207 HB 0.07 0.18 0.07 -0.04 2.12 2.39 1tedA1 VAL 207 HG13 0.11 -0.01 -0.03 -0.04 0.97 0.99 1tedA1 VAL 207 HG23 -0.00 -0.05 -0.13 -0.04 0.95 0.73 1tedA1 ASN 208 H -0.06 0.78 -0.13 -0.55 8.53 8.58 1tedA1 ASN 208 HA -0.02 0.22 0.97 -0.75 4.76 5.18 1tedA1 ASN 208 HB2 -0.06 0.02 0.17 -0.04 2.88 2.97 1tedA1 ASN 208 HB3 -0.05 0.09 0.28 -0.04 2.79 3.08 1tedA1 ASN 208 HD21 -0.09 0.18 0.11 -0.04 7.03 7.19 1tedA1 ASN 208 HD22 -0.03 0.06 0.15 -0.04 7.74 7.88 1tedA1 ALA 209 H -0.09 0.27 -0.27 -0.55 8.40 7.76 1tedA1 ALA 209 HA -0.31 -0.10 0.40 -0.75 4.34 3.57 1tedA1 ALA 209 HB3 -0.11 -0.00 0.07 -0.04 1.41 1.33 1tedA1 VAL 210 H 0.42 -0.20 0.24 -0.55 8.24 8.15 1tedA1 VAL 210 HA 0.07 0.37 0.89 -0.75 4.13 4.70 1tedA1 VAL 210 HB 0.01 -0.18 0.03 -0.04 2.12 1.93 1tedA1 VAL 210 HG13 -0.03 -0.01 -0.17 -0.04 0.97 0.73 1tedA1 VAL 210 HG23 -0.05 0.08 -0.22 -0.04 0.95 0.71 1tedA1 PHE 211 H -0.65 -0.11 0.16 -0.55 8.34 7.19 1tedA1 PHE 211 HA -0.52 0.00 0.33 -0.75 4.62 3.69 1tedA1 PHE 211 HB2 -0.03 0.26 -0.01 -0.04 3.15 3.33 1tedA1 PHE 211 HB3 -0.07 0.03 0.13 -0.04 3.06 3.10 1tedA1 PHE 211 HD2 0.02 0.09 -0.22 -0.04 7.28 7.13 1tedA1 PHE 211 HE2 0.13 0.04 -0.13 -0.04 7.38 7.37 1tedA1 PHE 211 HZ 0.12 -0.05 -0.09 -0.04 7.32 7.26 1tedA1 ALA 212 H -0.26 -0.06 -0.01 -0.55 8.40 7.53 1tedA1 ALA 212 HA -0.01 0.24 0.57 -0.75 4.34 4.38 1tedA1 ALA 212 HB3 -0.05 -0.04 0.04 -0.04 1.41 1.32 1tedA1 ASP 213 H -0.01 0.09 0.13 -0.55 8.40 8.06 1tedA1 ASP 213 HA -0.00 0.24 0.45 -0.75 4.63 4.56 1tedA1 ASP 213 HB2 -0.00 -0.08 0.10 -0.04 2.71 2.68 1tedA1 ASP 213 HB3 -0.00 0.01 -0.01 -0.04 2.70 2.66 1tedA1 ASP 214 H -0.02 -0.00 -0.04 -0.55 8.40 7.78 1tedA1 ASP 214 HA -0.01 0.15 0.46 -0.75 4.63 4.47 1tedA1 ASP 214 HB2 -0.02 -0.07 0.12 -0.04 2.71 2.70 1tedA1 ASP 214 HB3 -0.01 0.09 0.11 -0.04 2.70 2.85 1tedA1 ILE 215 H -0.02 0.16 0.19 -0.55 8.25 8.03 1tedA1 ILE 215 HA -0.02 0.20 0.38 -0.75 4.18 3.98 1tedA1 ILE 215 HB -0.03 0.03 -0.08 -0.04 1.89 1.77 1tedA1 ILE 215 HG12 -0.01 0.08 0.08 -0.04 1.49 1.59 1tedA1 ILE 215 HG13 -0.01 0.01 0.20 -0.04 1.21 1.36 1tedA1 ILE 215 HG23 -0.02 0.03 0.04 -0.04 0.93 0.95 1tedA1 ILE 215 HD13 -0.02 -0.06 0.11 -0.04 0.88 0.87 1tedA1 ASN 216 H -0.03 0.09 -0.05 -0.55 8.53 7.99 1tedA1 ASN 216 HA -0.05 0.10 0.43 -0.75 4.76 4.48 1tedA1 ASN 216 HB2 -0.03 0.08 0.16 -0.04 2.88 3.05 1tedA1 ASN 216 HB3 -0.03 -0.06 0.09 -0.04 2.79 2.75 1tedA1 ASN 216 HD21 -0.04 0.43 0.22 -0.04 7.03 7.60 1tedA1 ASN 216 HD22 -0.04 -0.06 -0.18 -0.04 7.74 7.42 1tedA1 ASP 217 H -0.05 0.06 -0.41 -0.55 8.40 7.45 1tedA1 ASP 217 HA -0.05 0.05 0.46 -0.75 4.63 4.34 1tedA1 ASP 217 HB2 -0.07 -0.12 0.02 -0.04 2.71 2.50 1tedA1 ASP 217 HB3 -0.12 0.29 -0.09 -0.04 2.70 2.75 1tedA1 VAL 218 H -0.06 0.52 -0.08 -0.55 8.24 8.06 1tedA1 VAL 218 HA -0.04 0.04 0.36 -0.75 4.13 3.73 1tedA1 VAL 218 HB -0.03 -0.03 0.12 -0.04 2.12 2.15 1tedA1 VAL 218 HG13 0.04 0.00 -0.15 -0.04 0.97 0.82 1tedA1 VAL 218 HG23 0.00 0.05 -0.08 -0.04 0.95 0.88 1tedA1 VAL 219 H -0.08 0.72 -0.14 -0.55 8.24 8.19 1tedA1 VAL 219 HA -0.14 0.14 0.48 -0.75 4.13 3.85 1tedA1 VAL 219 HB -0.09 0.01 0.17 -0.04 2.12 2.18 1tedA1 VAL 219 HG13 -0.08 -0.02 -0.12 -0.04 0.97 0.71 1tedA1 VAL 219 HG23 -0.06 0.02 -0.01 -0.04 0.95 0.87 1tedA1 ILE 220 H -0.18 0.60 0.03 -0.55 8.25 8.15 1tedA1 ILE 220 HA -0.80 -0.01 0.54 -0.75 4.18 3.15 1tedA1 ILE 220 HB -0.25 0.19 0.34 -0.04 1.89 2.12 1tedA1 ILE 220 HG12 -0.40 -0.02 0.15 -0.04 1.49 1.18 1tedA1 ILE 220 HG13 -2.07 -0.08 0.14 -0.04 1.21 -0.84 1tedA1 ILE 220 HG23 -0.42 -0.02 -0.05 -0.04 0.93 0.40 1tedA1 ILE 220 HD13 -0.19 -0.02 0.07 -0.04 0.88 0.71 1tedA1 HIS 221 H 0.02 0.60 -0.12 -0.55 8.41 8.36 1tedA1 HIS 221 HA -0.19 0.01 0.45 -0.75 4.63 4.15 1tedA1 HIS 221 HB2 -0.10 0.15 0.13 -0.04 3.26 3.40 1tedA1 HIS 221 HB3 -0.13 -0.00 0.09 -0.04 3.20 3.12 1tedA1 HIS 221 HD2 -1.55 0.11 0.06 -0.04 6.97 5.54 1tedA1 HIS 221 HE1 -0.21 0.08 0.09 -0.04 7.75 7.67 1tedA1 SER 222 H -0.15 0.25 -0.60 -0.55 8.46 7.42 1tedA1 SER 222 HA -0.08 0.10 0.78 -0.75 4.49 4.54 1tedA1 SER 222 HB2 -1.39 -0.07 0.22 -0.04 3.95 2.67 1tedA1 SER 222 HB3 -0.73 0.10 0.16 -0.04 3.93 3.42 1tedA1 LEU 223 H -0.11 0.18 -0.11 -0.55 8.37 7.78 1tedA1 LEU 223 HA 0.06 0.24 1.11 -0.75 4.35 4.99 1tedA1 LEU 223 HB2 0.07 -0.02 0.23 -0.04 1.64 1.88 1tedA1 LEU 223 HB3 0.22 -0.06 0.10 -0.04 1.64 1.87 1tedA1 LEU 223 HG -0.06 0.15 -0.00 -0.04 1.64 1.69 1tedA1 LEU 223 HD13 0.06 -0.03 0.05 -0.04 0.93 0.97 1tedA1 LEU 223 HD23 0.03 0.01 0.03 -0.04 0.89 0.92 1tedA1 PHE 224 H 0.10 0.60 0.29 -0.55 8.34 8.78 1tedA1 PHE 224 HA -0.03 0.15 0.77 -0.75 4.62 4.76 1tedA1 PHE 224 HB2 -0.12 0.06 0.15 -0.04 3.15 3.20 1tedA1 PHE 224 HB3 -0.07 -0.08 0.10 -0.04 3.06 2.96 1tedA1 PHE 224 HD2 -0.05 -0.06 -0.07 -0.04 7.28 7.05 1tedA1 PHE 224 HE2 -0.02 -0.01 0.03 -0.04 7.38 7.34 1tedA1 PHE 224 HZ -0.01 -0.06 0.01 -0.04 7.32 7.22 1tedA1 GLY 225 H 0.01 0.57 0.30 -0.55 8.43 8.77 1tedA1 GLY 225 HA2 0.04 0.16 0.87 -0.51 4.01 4.57 1tedA1 GLY 225 HA3 0.04 0.24 0.36 -0.51 4.01 4.13 1tedA1 ASP 226 H 0.02 0.61 0.41 -0.55 8.40 8.89 1tedA1 ASP 226 HA -0.02 0.14 1.14 -0.75 4.63 5.14 1tedA1 ASP 226 HB2 0.01 0.22 0.10 -0.04 2.71 2.99 1tedA1 ASP 226 HB3 -0.01 0.02 0.16 -0.04 2.70 2.82 1tedA1 GLY 227 H -0.03 0.58 0.51 -0.55 8.43 8.94 1tedA1 GLY 227 HA2 0.00 0.15 0.74 -0.51 4.01 4.39 1tedA1 GLY 227 HA3 -0.17 0.02 0.40 -0.51 4.01 3.75 1tedA1 CYS 228 H 0.14 0.82 0.50 -0.55 8.50 9.41 1tedA1 CYS 228 HA 0.03 0.18 0.98 -0.75 4.58 5.02 1tedA1 CYS 228 HB2 0.00 -0.09 -0.19 -0.04 2.97 2.66 1tedA1 CYS 228 HB3 0.03 0.03 -0.07 -0.04 2.97 2.91 1tedA1 ALA 229 H 0.03 0.62 0.43 -0.55 8.40 8.93 1tedA1 ALA 229 HA 0.00 0.26 0.79 -0.75 4.34 4.63 1tedA1 ALA 229 HB3 0.09 -0.00 0.03 -0.04 1.41 1.49 1tedA1 ALA 230 H -0.03 0.56 0.34 -0.55 8.40 8.72 1tedA1 ALA 230 HA -0.01 0.30 1.09 -0.75 4.34 4.96 1tedA1 ALA 230 HB3 -0.02 -0.00 -0.09 -0.04 1.41 1.26 1tedA1 LEU 231 H -0.01 0.53 0.43 -0.55 8.37 8.77 1tedA1 LEU 231 HA -0.02 0.36 1.05 -0.75 4.35 4.98 1tedA1 LEU 231 HB2 -0.02 -0.12 0.06 -0.04 1.64 1.52 1tedA1 LEU 231 HB3 -0.02 0.07 0.06 -0.04 1.64 1.70 1tedA1 LEU 231 HG -0.03 -0.11 -0.29 -0.04 1.64 1.17 1tedA1 LEU 231 HD13 -0.04 -0.02 -0.10 -0.04 0.93 0.72 1tedA1 LEU 231 HD23 -0.05 0.05 -0.01 -0.04 0.89 0.84 1tedA1 VAL 232 H 0.01 0.57 0.34 -0.55 8.24 8.60 1tedA1 VAL 232 HA 0.02 0.28 1.12 -0.75 4.13 4.80 1tedA1 VAL 232 HB 0.07 -0.08 0.18 -0.04 2.12 2.26 1tedA1 VAL 232 HG13 0.14 0.01 -0.11 -0.04 0.97 0.97 1tedA1 VAL 232 HG23 0.04 0.01 -0.28 -0.04 0.95 0.68 1tedA1 ILE 233 H 0.01 0.74 0.37 -0.55 8.25 8.82 1tedA1 ILE 233 HA 0.02 0.29 1.08 -0.75 4.18 4.81 1tedA1 ILE 233 HB 0.03 -0.06 0.01 -0.04 1.89 1.83 1tedA1 ILE 233 HG12 0.00 0.03 -0.17 -0.04 1.49 1.31 1tedA1 ILE 233 HG13 0.00 -0.04 -0.15 -0.04 1.21 0.98 1tedA1 ILE 233 HG23 0.02 0.02 -0.17 -0.04 0.93 0.75 1tedA1 ILE 233 HD13 -0.01 0.01 -0.32 -0.04 0.88 0.52 1tedA1 GLY 234 H 0.01 0.47 0.41 -0.55 8.43 8.77 1tedA1 GLY 234 HA2 -0.04 0.23 0.80 -0.51 4.01 4.49 1tedA1 GLY 234 HA3 -0.06 0.06 0.35 -0.51 4.01 3.85 1tedA1 ALA 235 H -0.04 0.32 0.19 -0.55 8.40 8.33 1tedA1 ALA 235 HA -0.01 0.09 0.58 -0.75 4.34 4.24 1tedA1 ALA 235 HB3 -0.03 0.05 -0.05 -0.04 1.41 1.34 1tedA1 SER 236 H -0.01 0.38 0.24 -0.55 8.46 8.53 1tedA1 SER 236 HA 0.00 0.12 0.80 -0.75 4.49 4.65 1tedA1 SER 236 HB2 0.02 0.05 -0.20 -0.04 3.95 3.77 1tedA1 SER 236 HB3 0.01 0.10 -0.03 -0.04 3.93 3.97 1tedA1 GLN 237 H 0.00 0.17 0.14 -0.55 8.47 8.24 1tedA1 GLN 237 HA -0.01 0.10 0.64 -0.75 4.36 4.34 1tedA1 GLN 237 HB2 -0.00 0.07 0.12 -0.04 2.15 2.29 1tedA1 GLN 237 HB3 -0.00 -0.04 0.16 -0.04 2.02 2.09 1tedA1 GLN 237 HG2 -0.01 0.06 0.05 -0.04 2.40 2.46 1tedA1 GLN 237 HG3 -0.01 0.04 0.01 -0.04 2.39 2.40 1tedA1 GLN 237 HE21 -0.01 0.04 -0.05 -0.04 6.97 6.92 1tedA1 GLN 237 HE22 -0.01 0.10 0.01 -0.04 7.69 7.76 1tedA1 VAL 238 H -0.01 0.24 0.22 -0.55 8.24 8.15 1tedA1 VAL 238 HA -0.00 0.10 0.24 -0.75 4.13 3.72 1tedA1 VAL 238 HB -0.01 0.02 0.08 -0.04 2.12 2.17 1tedA1 VAL 238 HG13 -0.01 0.03 0.12 -0.04 0.97 1.07 1tedA1 VAL 238 HG23 -0.01 -0.01 0.00 -0.04 0.95 0.90 1tedA1 GLN 239 H -0.00 -0.01 -0.45 -0.55 8.47 7.46 1tedA1 GLN 239 HA -0.00 0.19 0.72 -0.75 4.36 4.52 1tedA1 GLN 239 HB2 -0.00 -0.03 -0.02 -0.04 2.15 2.06 1tedA1 GLN 239 HB3 -0.00 -0.01 0.09 -0.04 2.02 2.06 1tedA1 GLN 239 HG2 -0.01 0.04 -0.03 -0.04 2.40 2.36 1tedA1 GLN 239 HG3 -0.01 -0.06 -0.11 -0.04 2.39 2.17 1tedA1 GLN 239 HE21 -0.00 -0.01 -0.01 -0.04 6.97 6.90 1tedA1 GLN 239 HE22 -0.00 0.01 -0.00 -0.04 7.69 7.65 1tedA1 GLU 240 H 0.00 0.67 -0.03 -0.55 8.60 8.70 1tedA1 GLU 240 HA 0.00 -0.03 0.42 -0.75 4.29 3.93 1tedA1 GLU 240 HB2 0.01 0.02 0.03 -0.04 2.09 2.11 1tedA1 GLU 240 HB3 0.01 0.00 -0.06 -0.04 1.99 1.90 1tedA1 GLU 240 HG2 0.00 0.05 0.19 -0.04 2.34 2.54 1tedA1 GLU 240 HG3 0.01 -0.21 0.14 -0.04 2.34 2.24 1tedA1 LYS 241 H 0.00 0.10 0.15 -0.55 8.42 8.11 1tedA1 LYS 241 HA 0.00 0.10 0.57 -0.75 4.32 4.23 1tedA1 LYS 241 HB2 0.00 -0.06 0.20 -0.04 1.87 1.97 1tedA1 LYS 241 HB3 0.00 0.03 0.04 -0.04 1.79 1.82 1tedA1 LYS 241 HG2 -0.00 0.04 0.01 -0.04 1.46 1.46 1tedA1 LYS 241 HG3 0.00 0.07 0.07 -0.04 1.46 1.56 1tedA1 LYS 241 HD2 -0.00 -0.04 0.04 -0.04 1.69 1.66 1tedA1 LYS 241 HD3 -0.00 -0.01 0.02 -0.04 1.68 1.65 1tedA1 LYS 241 HE2 -0.00 0.02 0.01 -0.04 2.99 2.98 1tedA1 LYS 241 HE3 -0.00 0.02 0.03 -0.04 2.99 3.00 1tedA1 LEU 242 H 0.01 0.21 0.11 -0.55 8.37 8.15 1tedA1 LEU 242 HA 0.01 0.03 0.39 -0.75 4.35 4.03 1tedA1 LEU 242 HB2 0.01 -0.03 -0.03 -0.04 1.64 1.55 1tedA1 LEU 242 HB3 0.01 0.02 -0.00 -0.04 1.64 1.63 1tedA1 LEU 242 HG 0.01 0.19 -0.05 -0.04 1.64 1.75 1tedA1 LEU 242 HD13 0.01 -0.01 -0.13 -0.04 0.93 0.76 1tedA1 LEU 242 HD23 0.02 -0.01 -0.13 -0.04 0.89 0.73 1tedA1 GLU 243 H 0.01 0.08 0.12 -0.55 8.60 8.26 1tedA1 GLU 243 HA 0.00 0.13 0.59 -0.75 4.29 4.25 1tedA1 GLU 243 HB2 -0.00 0.07 0.11 -0.04 2.09 2.22 1tedA1 GLU 243 HB3 -0.00 -0.03 0.08 -0.04 1.99 2.00 1tedA1 GLU 243 HG2 0.00 -0.09 0.09 -0.04 2.34 2.30 1tedA1 GLU 243 HG3 -0.00 0.09 -0.12 -0.04 2.34 2.27 1tedA1 PRO 244 HA 0.00 0.10 0.21 -0.51 4.44 4.25 1tedA1 PRO 244 HB2 -0.00 -0.03 0.06 -0.04 2.28 2.27 1tedA1 PRO 244 HB3 0.00 0.26 0.04 -0.04 2.02 2.28 1tedA1 PRO 244 HG2 -0.00 0.00 0.08 -0.04 2.03 2.07 1tedA1 PRO 244 HG3 0.00 -0.11 -0.18 -0.04 2.03 1.70 1tedA1 PRO 244 HD2 -0.00 0.09 0.18 -0.04 3.68 3.91 1tedA1 PRO 244 HD3 0.00 0.11 0.17 -0.04 3.65 3.89 1tedA1 GLY 245 H 0.01 0.74 0.30 -0.55 8.43 8.92 1tedA1 GLY 245 HA2 -0.00 0.01 0.36 -0.51 4.01 3.87 1tedA1 GLY 245 HA3 -0.01 0.14 0.72 -0.51 4.01 4.35 1tedA1 LYS 246 H 0.00 0.38 -0.26 -0.55 8.42 7.99 1tedA1 LYS 246 HA 0.00 0.17 0.48 -0.75 4.32 4.22 1tedA1 LYS 246 HB2 0.01 0.24 0.08 -0.04 1.87 2.16 1tedA1 LYS 246 HB3 0.01 -0.08 -0.13 -0.04 1.79 1.56 1tedA1 LYS 246 HG2 0.02 -0.10 -0.03 -0.04 1.46 1.31 1tedA1 LYS 246 HG3 0.02 0.08 0.01 -0.04 1.46 1.53 1tedA1 LYS 246 HD2 0.00 0.06 -0.12 -0.04 1.69 1.59 1tedA1 LYS 246 HD3 0.01 -0.17 0.01 -0.04 1.68 1.49 1tedA1 LYS 246 HE2 0.01 0.15 0.06 -0.04 2.99 3.17 1tedA1 LYS 246 HE3 -0.01 -0.01 0.00 -0.04 2.99 2.94 1tedA1 VAL 247 H -0.00 0.45 0.26 -0.55 8.24 8.40 1tedA1 VAL 247 HA 0.04 0.37 1.18 -0.75 4.13 4.96 1tedA1 VAL 247 HB -0.05 -0.09 0.19 -0.04 2.12 2.12 1tedA1 VAL 247 HG13 -0.09 -0.02 -0.25 -0.04 0.97 0.56 1tedA1 VAL 247 HG23 -0.06 0.04 -0.13 -0.04 0.95 0.76 1tedA1 VAL 248 H 0.07 0.62 0.31 -0.55 8.24 8.70 1tedA1 VAL 248 HA 0.03 0.17 0.79 -0.75 4.13 4.36 1tedA1 VAL 248 HB 0.04 -0.11 0.16 -0.04 2.12 2.17 1tedA1 VAL 248 HG13 0.02 0.02 -0.24 -0.04 0.97 0.73 1tedA1 VAL 248 HG23 0.02 0.02 -0.10 -0.04 0.95 0.85 1tedA1 VAL 249 H 0.03 0.75 0.28 -0.55 8.24 8.75 1tedA1 VAL 249 HA 0.09 0.09 0.76 -0.75 4.13 4.31 1tedA1 VAL 249 HB 0.02 0.03 0.15 -0.04 2.12 2.27 1tedA1 VAL 249 HG13 0.03 -0.02 -0.16 -0.04 0.97 0.77 1tedA1 VAL 249 HG23 -0.00 -0.01 -0.14 -0.04 0.95 0.76 1tedA1 ARG 250 H 0.08 0.35 0.19 -0.55 8.46 8.53 1tedA1 ARG 250 HA 0.03 0.07 0.46 -0.75 4.34 4.14 1tedA1 ARG 250 HB2 0.03 0.01 -0.07 -0.04 1.90 1.83 1tedA1 ARG 250 HB3 0.01 0.01 -0.04 -0.04 1.80 1.74 1tedA1 ARG 250 HG2 0.01 -0.00 -0.10 -0.04 1.67 1.54 1tedA1 ARG 250 HG3 0.04 0.05 -0.08 -0.04 1.67 1.64 1tedA1 ARG 250 HD2 -0.02 -0.03 -0.16 -0.04 3.22 2.98 1tedA1 ARG 250 HD3 -0.04 -0.02 -0.28 -0.04 3.22 2.84 1tedA1 SER 251 H 0.08 0.35 0.15 -0.55 8.46 8.49 1tedA1 SER 251 HA 0.06 0.12 0.58 -0.75 4.49 4.50 1tedA1 SER 251 HB2 0.05 0.16 -0.27 -0.04 3.95 3.84 1tedA1 SER 251 HB3 0.09 -0.11 -0.06 -0.04 3.93 3.82 1tedA1 SER 252 H 0.07 0.23 0.18 -0.55 8.46 8.39 1tedA1 SER 252 HA 0.01 0.21 1.14 -0.75 4.49 5.09 1tedA1 SER 252 HB2 -0.08 0.04 0.15 -0.04 3.95 4.02 1tedA1 SER 252 HB3 -0.01 -0.02 -0.04 -0.04 3.93 3.81 1tedA1 PHE 253 H -0.42 0.51 0.27 -0.55 8.34 8.15 1tedA1 PHE 253 HA 0.02 0.13 0.69 -0.75 4.62 4.71 1tedA1 PHE 253 HB2 0.03 0.03 -0.03 -0.04 3.15 3.13 1tedA1 PHE 253 HB3 0.04 0.11 -0.28 -0.04 3.06 2.88 1tedA1 PHE 253 HD2 0.03 0.05 -0.47 -0.04 7.28 6.85 1tedA1 PHE 253 HE2 0.05 0.00 -0.35 -0.04 7.38 7.04 1tedA1 PHE 253 HZ 0.19 0.03 -0.20 -0.04 7.32 7.30 1tedA1 SER 254 H 0.17 0.32 0.21 -0.55 8.46 8.61 1tedA1 SER 254 HA 0.04 0.36 0.94 -0.75 4.49 5.08 1tedA1 SER 254 HB2 0.04 0.00 -0.02 -0.04 3.95 3.93 1tedA1 SER 254 HB3 0.02 -0.05 0.00 -0.04 3.93 3.85 1tedA1 GLN 255 H 0.08 0.27 0.13 -0.55 8.47 8.41 1tedA1 GLN 255 HA 0.05 0.13 0.70 -0.75 4.36 4.49 1tedA1 GLN 255 HB2 0.12 -0.03 -0.04 -0.04 2.15 2.16 1tedA1 GLN 255 HB3 0.05 0.03 -0.07 -0.04 2.02 1.98 1tedA1 GLN 255 HG2 0.08 0.19 -0.04 -0.04 2.40 2.59 1tedA1 GLN 255 HG3 0.03 -0.04 -0.05 -0.04 2.39 2.29 1tedA1 GLN 255 HE21 0.01 -0.03 0.06 -0.04 6.97 6.96 1tedA1 GLN 255 HE22 0.03 0.06 0.10 -0.04 7.69 7.84 1tedA1 LEU 256 H 0.02 0.17 0.10 -0.55 8.37 8.11 1tedA1 LEU 256 HA 0.01 0.14 0.62 -0.75 4.35 4.37 1tedA1 LEU 256 HB2 0.01 -0.04 0.11 -0.04 1.64 1.67 1tedA1 LEU 256 HB3 -0.01 -0.02 0.00 -0.04 1.64 1.58 1tedA1 LEU 256 HG -0.00 -0.03 -0.04 -0.04 1.64 1.53 1tedA1 LEU 256 HD13 -0.01 -0.02 -0.04 -0.04 0.93 0.82 1tedA1 LEU 256 HD23 -0.02 0.03 -0.10 -0.04 0.89 0.76 1tedA1 LEU 257 H -0.02 0.71 0.28 -0.55 8.37 8.79 1tedA1 LEU 257 HA -0.03 0.09 0.76 -0.75 4.35 4.42 1tedA1 LEU 257 HB2 -0.10 -0.00 0.10 -0.04 1.64 1.60 1tedA1 LEU 257 HB3 -0.07 0.04 -0.05 -0.04 1.64 1.52 1tedA1 LEU 257 HG 0.04 0.04 -0.13 -0.04 1.64 1.55 1tedA1 LEU 257 HD13 0.03 -0.02 -0.13 -0.04 0.93 0.78 1tedA1 LEU 257 HD23 0.01 0.01 -0.10 -0.04 0.89 0.77 1tedA1 ASP 258 H -0.04 0.16 0.11 -0.55 8.40 8.08 1tedA1 ASP 258 HA -0.05 -0.05 0.35 -0.75 4.63 4.12 1tedA1 ASP 258 HB2 -0.03 0.03 0.14 -0.04 2.71 2.80 1tedA1 ASP 258 HB3 -0.03 0.02 -0.07 -0.04 2.70 2.58 1tedA1 ASN 259 H -0.06 0.08 0.19 -0.55 8.53 8.19 1tedA1 ASN 259 HA -0.06 -0.08 0.41 -0.75 4.76 4.28 1tedA1 ASN 259 HB2 -0.04 0.19 0.06 -0.04 2.88 3.05 1tedA1 ASN 259 HB3 -0.02 -0.04 0.17 -0.04 2.79 2.86 1tedA1 ASN 259 HD21 -0.01 0.02 -0.06 -0.04 7.03 6.93 1tedA1 ASN 259 HD22 -0.01 0.08 -0.15 -0.04 7.74 7.62 1tedA1 THR 260 H -0.16 0.16 0.07 -0.55 8.28 7.79 1tedA1 THR 260 HA -0.65 0.14 0.77 -0.75 4.39 3.89 1tedA1 THR 260 HB -0.78 -0.19 0.12 -0.04 4.32 3.43 1tedA1 THR 260 HG23 -0.76 0.07 -0.35 -0.04 1.22 0.13 1tedA1 GLU 261 H -0.09 0.07 0.09 -0.55 8.60 8.12 1tedA1 GLU 261 HA -0.05 0.08 0.39 -0.75 4.29 3.96 1tedA1 GLU 261 HB2 -0.03 -0.02 0.11 -0.04 2.09 2.11 1tedA1 GLU 261 HB3 -0.01 0.04 0.00 -0.04 1.99 1.98 1tedA1 GLU 261 HG2 -0.03 0.03 0.13 -0.04 2.34 2.43 1tedA1 GLU 261 HG3 -0.04 -0.04 0.14 -0.04 2.34 2.36 1tedA1 ASP 262 H -0.00 0.09 -0.42 -0.55 8.40 7.52 1tedA1 ASP 262 HA 0.03 0.14 0.39 -0.75 4.63 4.43 1tedA1 ASP 262 HB2 0.05 0.01 0.06 -0.04 2.71 2.78 1tedA1 ASP 262 HB3 0.04 0.00 -0.01 -0.04 2.70 2.69 1tedA1 GLY 263 H 0.03 0.67 -0.54 -0.55 8.43 8.05 1tedA1 GLY 263 HA2 0.25 -0.10 0.36 -0.51 4.01 4.00 1tedA1 GLY 263 HA3 0.17 0.12 0.25 -0.51 4.01 4.04 1tedA1 ILE 264 H 0.03 0.17 -0.06 -0.55 8.25 7.84 1tedA1 ILE 264 HA 0.03 0.22 0.90 -0.75 4.18 4.58 1tedA1 ILE 264 HB 0.02 -0.13 0.01 -0.04 1.89 1.74 1tedA1 ILE 264 HG12 0.06 0.06 -0.13 -0.04 1.49 1.45 1tedA1 ILE 264 HG13 0.07 -0.08 -0.45 -0.04 1.21 0.71 1tedA1 ILE 264 HG23 -0.00 -0.01 -0.20 -0.04 0.93 0.68 1tedA1 ILE 264 HD13 0.10 0.02 -0.28 -0.04 0.88 0.68 1tedA1 VAL 265 H 0.00 0.71 0.19 -0.55 8.24 8.59 1tedA1 VAL 265 HA -0.05 0.16 1.09 -0.75 4.13 4.58 1tedA1 VAL 265 HB -0.01 0.01 0.16 -0.04 2.12 2.25 1tedA1 VAL 265 HG13 -0.01 -0.01 -0.16 -0.04 0.97 0.74 1tedA1 VAL 265 HG23 0.00 0.01 -0.16 -0.04 0.95 0.76 1tedA1 LEU 266 H -0.16 0.24 0.25 -0.55 8.37 8.14 1tedA1 LEU 266 HA -0.19 0.30 1.14 -0.75 4.35 4.85 1tedA1 LEU 266 HB2 -0.97 0.02 0.16 -0.04 1.64 0.80 1tedA1 LEU 266 HB3 -1.20 0.06 0.15 -0.04 1.64 0.61 1tedA1 LEU 266 HG -0.25 -0.01 -0.15 -0.04 1.64 1.19 1tedA1 LEU 266 HD13 -0.36 0.01 -0.00 -0.04 0.93 0.54 1tedA1 LEU 266 HD23 -0.13 0.04 -0.10 -0.04 0.89 0.66 1tedA1 GLY 267 H -0.01 0.56 0.39 -0.55 8.43 8.83 1tedA1 GLY 267 HA2 0.25 0.14 0.70 -0.51 4.01 4.58 1tedA1 GLY 267 HA3 0.09 0.03 0.26 -0.51 4.01 3.88 1tedA1 VAL 268 H 0.17 0.22 0.15 -0.55 8.24 8.22 1tedA1 VAL 268 HA 0.14 0.16 1.03 -0.75 4.13 4.71 1tedA1 VAL 268 HB 0.10 -0.01 0.14 -0.04 2.12 2.31 1tedA1 VAL 268 HG13 0.07 0.01 -0.17 -0.04 0.97 0.83 1tedA1 VAL 268 HG23 0.20 -0.00 -0.11 -0.04 0.95 1.00 1tedA1 ASN 269 H 0.03 0.71 0.23 -0.55 8.53 8.94 1tedA1 ASN 269 HA 0.05 0.18 0.94 -0.75 4.76 5.17 1tedA1 ASN 269 HB2 -0.08 0.31 0.08 -0.04 2.88 3.15 1tedA1 ASN 269 HB3 -0.15 -0.14 0.10 -0.04 2.79 2.56 1tedA1 ASN 269 HD21 0.00 -0.04 -0.12 -0.04 7.03 6.83 1tedA1 ASN 269 HD22 -0.03 0.09 -0.12 -0.04 7.74 7.64 1tedA1 HIS 270 H 0.14 0.20 0.18 -0.55 8.41 8.39 1tedA1 HIS 270 HA 0.02 0.09 0.38 -0.75 4.63 4.37 1tedA1 HIS 270 HB2 0.01 -0.04 0.21 -0.04 3.26 3.41 1tedA1 HIS 270 HB3 0.01 0.08 0.19 -0.04 3.20 3.45 1tedA1 HIS 270 HD2 0.01 0.01 0.12 -0.04 6.97 7.07 1tedA1 HIS 270 HE1 -0.01 0.16 -0.01 -0.04 7.75 7.84 1tedA1 ASN 271 H -0.57 0.08 -0.39 -0.55 8.53 7.10 1tedA1 ASN 271 HA -0.13 0.01 0.91 -0.75 4.76 4.80 1tedA1 ASN 271 HB2 -0.18 0.25 0.16 -0.04 2.88 3.07 1tedA1 ASN 271 HB3 -0.27 -0.05 0.04 -0.04 2.79 2.47 1tedA1 ASN 271 HD21 -0.13 -0.09 -0.06 -0.04 7.03 6.71 1tedA1 ASN 271 HD22 -0.10 0.21 -0.05 -0.04 7.74 7.76 1tedA1 GLY 272 H -0.08 0.48 -0.21 -0.55 8.43 8.06 1tedA1 GLY 272 HA2 -0.03 -0.02 0.31 -0.51 4.01 3.77 1tedA1 GLY 272 HA3 -0.05 0.39 0.89 -0.51 4.01 4.73 1tedA1 ILE 273 H -0.04 0.16 0.21 -0.55 8.25 8.04 1tedA1 ILE 273 HA 0.07 0.07 0.86 -0.75 4.18 4.42 1tedA1 ILE 273 HB -0.05 -0.01 0.18 -0.04 1.89 1.97 1tedA1 ILE 273 HG12 0.03 -0.02 0.04 -0.04 1.49 1.50 1tedA1 ILE 273 HG13 -0.11 -0.04 0.04 -0.04 1.21 1.06 1tedA1 ILE 273 HG23 0.20 0.08 0.10 -0.04 0.93 1.26 1tedA1 ILE 273 HD13 -0.63 0.07 -0.17 -0.04 0.88 0.10 1tedA1 THR 274 H 0.07 0.53 0.43 -0.55 8.28 8.76 1tedA1 THR 274 HA 0.01 0.20 0.81 -0.75 4.39 4.66 1tedA1 THR 274 HB -0.00 0.10 -0.26 -0.04 4.32 4.12 1tedA1 THR 274 HG23 0.02 -0.01 -0.22 -0.04 1.22 0.96 1tedA1 CYS 275 H 0.01 0.27 0.17 -0.55 8.50 8.39 1tedA1 CYS 275 HA -0.01 0.31 1.03 -0.75 4.58 5.15 1tedA1 CYS 275 HB2 0.12 -0.02 -0.04 -0.04 2.97 2.99 1tedA1 CYS 275 HB3 0.23 -0.00 0.12 -0.04 2.97 3.28 1tedA1 GLU 276 H -0.01 0.90 0.32 -0.55 8.60 9.26 1tedA1 GLU 276 HA -0.01 0.11 0.95 -0.75 4.29 4.58 1tedA1 GLU 276 HB2 -0.00 -0.01 0.13 -0.04 2.09 2.16 1tedA1 GLU 276 HB3 -0.00 0.03 -0.01 -0.04 1.99 1.96 1tedA1 GLU 276 HG2 -0.01 -0.02 -0.09 -0.04 2.34 2.18 1tedA1 GLU 276 HG3 -0.01 -0.06 -0.32 -0.04 2.34 1.91 1tedA1 LEU 277 H -0.00 0.16 0.17 -0.55 8.37 8.15 1tedA1 LEU 277 HA 0.03 0.32 0.98 -0.75 4.35 4.93 1tedA1 LEU 277 HB2 0.01 -0.03 0.09 -0.04 1.64 1.67 1tedA1 LEU 277 HB3 0.03 0.06 0.07 -0.04 1.64 1.75 1tedA1 LEU 277 HG 0.06 -0.04 -0.16 -0.04 1.64 1.46 1tedA1 LEU 277 HD13 0.12 0.01 -0.02 -0.04 0.93 0.99 1tedA1 LEU 277 HD23 0.09 0.01 -0.04 -0.04 0.89 0.90 1tedA1 SER 278 H 0.03 0.48 0.34 -0.55 8.46 8.77 1tedA1 SER 278 HA 0.00 0.11 0.69 -0.75 4.49 4.54 1tedA1 SER 278 HB2 0.06 0.30 0.06 -0.04 3.95 4.33 1tedA1 SER 278 HB3 0.08 0.01 0.14 -0.04 3.93 4.12 1tedA1 GLU 279 H -0.03 0.19 0.19 -0.55 8.60 8.40 1tedA1 GLU 279 HA -0.05 0.13 0.45 -0.75 4.29 4.06 1tedA1 GLU 279 HB2 -0.05 -0.01 0.10 -0.04 2.09 2.08 1tedA1 GLU 279 HB3 -0.05 0.05 0.08 -0.04 1.99 2.03 1tedA1 GLU 279 HG2 -0.03 -0.03 0.12 -0.04 2.34 2.36 1tedA1 GLU 279 HG3 -0.03 0.04 0.06 -0.04 2.34 2.37 1tedA1 ASN 280 H -0.13 0.03 -0.24 -0.55 8.53 7.64 1tedA1 ASN 280 HA -0.27 0.15 0.47 -0.75 4.76 4.35 1tedA1 ASN 280 HB2 -0.40 -0.00 -0.06 -0.04 2.88 2.38 1tedA1 ASN 280 HB3 -0.84 0.05 0.05 -0.04 2.79 2.01 1tedA1 ASN 280 HD21 -0.01 0.03 -0.02 -0.04 7.03 7.00 1tedA1 ASN 280 HD22 0.05 0.03 -0.03 -0.04 7.74 7.75 1tedA1 LEU 281 H -0.16 0.44 -0.51 -0.55 8.37 7.59 1tedA1 LEU 281 HA -0.05 0.01 0.31 -0.75 4.35 3.87 1tedA1 LEU 281 HB2 -0.02 0.18 0.16 -0.04 1.64 1.92 1tedA1 LEU 281 HB3 -0.05 0.05 -0.01 -0.04 1.64 1.59 1tedA1 LEU 281 HG 0.06 0.05 -0.05 -0.04 1.64 1.66 1tedA1 LEU 281 HD13 0.02 -0.01 -0.08 -0.04 0.93 0.82 1tedA1 LEU 281 HD23 -0.04 -0.02 -0.10 -0.04 0.89 0.69 1tedA1 PRO 282 HA -0.07 0.04 0.42 -0.51 4.44 4.33 1tedA1 PRO 282 HB2 -0.05 0.06 -0.03 -0.04 2.28 2.22 1tedA1 PRO 282 HB3 -0.03 0.02 0.02 -0.04 2.02 1.99 1tedA1 PRO 282 HG2 -0.09 0.07 0.02 -0.04 2.03 1.98 1tedA1 PRO 282 HG3 -0.05 0.05 0.04 -0.04 2.03 2.02 1tedA1 PRO 282 HD2 -0.12 0.17 -0.19 -0.04 3.68 3.50 1tedA1 PRO 282 HD3 -0.06 0.09 0.02 -0.04 3.65 3.66 1tedA1 GLY 283 H -0.19 0.23 -0.45 -0.55 8.43 7.48 1tedA1 GLY 283 HA2 0.03 0.06 0.48 -0.51 4.01 4.06 1tedA1 GLY 283 HA3 -0.10 0.06 0.27 -0.51 4.01 3.73 1tedA1 TYR 284 H -0.20 0.40 -0.14 -0.55 8.29 7.80 1tedA1 TYR 284 HA -0.01 0.09 0.43 -0.75 4.56 4.31 1tedA1 TYR 284 HB2 -0.08 0.06 0.10 -0.04 3.06 3.10 1tedA1 TYR 284 HB3 -0.04 -0.01 -0.02 -0.04 2.98 2.87 1tedA1 TYR 284 HD2 -0.02 -0.03 -0.08 -0.04 7.15 6.98 1tedA1 TYR 284 HE2 -0.01 -0.04 -0.11 -0.04 6.85 6.66 1tedA1 ILE 285 H -0.04 0.46 -0.14 -0.55 8.25 7.98 1tedA1 ILE 285 HA -0.22 0.03 0.37 -0.75 4.18 3.60 1tedA1 ILE 285 HB -0.11 0.10 0.13 -0.04 1.89 1.97 1tedA1 ILE 285 HG12 -1.47 -0.04 -0.06 -0.04 1.49 -0.12 1tedA1 ILE 285 HG13 -0.36 0.13 -0.03 -0.04 1.21 0.91 1tedA1 ILE 285 HG23 -0.06 0.02 -0.23 -0.04 0.93 0.62 1tedA1 ILE 285 HD13 -0.26 -0.02 -0.10 -0.04 0.88 0.45 1tedA1 PHE 286 H 0.14 0.54 -0.09 -0.55 8.34 8.38 1tedA1 PHE 286 HA -0.01 0.11 0.37 -0.75 4.62 4.33 1tedA1 PHE 286 HB2 -0.02 -0.04 0.15 -0.04 3.15 3.20 1tedA1 PHE 286 HB3 -0.02 0.05 0.16 -0.04 3.06 3.21 1tedA1 PHE 286 HD2 -0.01 0.00 -0.03 -0.04 7.28 7.21 1tedA1 PHE 286 HE2 -0.01 0.04 -0.18 -0.04 7.38 7.19 1tedA1 PHE 286 HZ -0.01 0.01 -0.06 -0.04 7.32 7.22 1tedA1 SER 287 H 0.07 0.40 -0.24 -0.55 8.46 8.14 1tedA1 SER 287 HA -0.46 0.13 0.64 -0.75 4.49 4.05 1tedA1 SER 287 HB2 -0.04 -0.03 0.11 -0.04 3.95 3.94 1tedA1 SER 287 HB3 0.07 -0.04 0.06 -0.04 3.93 3.98 1tedA1 GLY 288 H -0.05 0.23 -0.49 -0.55 8.43 7.57 1tedA1 GLY 288 HA2 -0.04 0.10 0.69 -0.51 4.01 4.25 1tedA1 GLY 288 HA3 0.01 0.06 0.27 -0.51 4.01 3.83 1tedA1 VAL 289 H -0.06 0.57 0.01 -0.55 8.24 8.21 1tedA1 VAL 289 HA -0.14 -0.02 0.35 -0.75 4.13 3.57 1tedA1 VAL 289 HB -0.08 0.05 0.15 -0.04 2.12 2.19 1tedA1 VAL 289 HG13 -0.34 -0.00 -0.17 -0.04 0.97 0.42 1tedA1 VAL 289 HG23 0.13 0.05 0.02 -0.04 0.95 1.11 1tedA1 ALA 290 H -0.18 0.23 -0.09 -0.55 8.40 7.81 1tedA1 ALA 290 HA -0.11 -0.03 0.21 -0.75 4.34 3.65 1tedA1 ALA 290 HB3 -0.16 0.10 0.02 -0.04 1.41 1.33 1tedA1 PRO 291 HA -0.08 0.02 0.45 -0.51 4.44 4.32 1tedA1 PRO 291 HB2 -0.07 0.00 -0.02 -0.04 2.28 2.15 1tedA1 PRO 291 HB3 -0.08 -0.00 0.07 -0.04 2.02 1.96 1tedA1 PRO 291 HG2 -0.08 0.14 -0.01 -0.04 2.03 2.04 1tedA1 PRO 291 HG3 -0.09 0.17 0.07 -0.04 2.03 2.14 1tedA1 PRO 291 HD2 -0.15 -0.04 -0.72 -0.04 3.68 2.73 1tedA1 PRO 291 HD3 -0.15 0.10 -0.04 -0.04 3.65 3.52 1tedA1 VAL 292 H -0.10 0.46 -0.16 -0.55 8.24 7.90 1tedA1 VAL 292 HA -0.11 0.03 0.43 -0.75 4.13 3.73 1tedA1 VAL 292 HB -0.13 0.03 0.03 -0.04 2.12 2.01 1tedA1 VAL 292 HG13 -0.10 -0.02 -0.16 -0.04 0.97 0.65 1tedA1 VAL 292 HG23 -0.02 0.10 0.05 -0.04 0.95 1.04 1tedA1 VAL 293 H -0.17 0.65 -0.05 -0.55 8.24 8.13 1tedA1 VAL 293 HA -0.32 0.01 0.29 -0.75 4.13 3.35 1tedA1 VAL 293 HB -0.04 0.10 -0.06 -0.04 2.12 2.08 1tedA1 VAL 293 HG13 0.31 -0.01 -0.23 -0.04 0.97 1.00 1tedA1 VAL 293 HG23 -0.06 -0.00 -0.12 -0.04 0.95 0.73 1tedA1 THR 294 H -0.06 0.66 -0.22 -0.55 8.28 8.11 1tedA1 THR 294 HA 0.05 -0.02 0.39 -0.75 4.39 4.06 1tedA1 THR 294 HB -0.04 0.10 0.11 -0.04 4.32 4.45 1tedA1 THR 294 HG23 0.02 -0.03 -0.09 -0.04 1.22 1.08 1tedA1 GLU 295 H -0.06 0.52 -0.16 -0.55 8.60 8.35 1tedA1 GLU 295 HA 0.02 0.02 0.46 -0.75 4.29 4.03 1tedA1 GLU 295 HB2 -0.06 0.17 0.19 -0.04 2.09 2.34 1tedA1 GLU 295 HB3 -0.05 0.03 0.11 -0.04 1.99 2.03 1tedA1 GLU 295 HG2 -0.04 -0.03 0.01 -0.04 2.34 2.23 1tedA1 GLU 295 HG3 0.00 -0.02 -0.03 -0.04 2.34 2.26 1tedA1 MET 296 H -0.12 0.57 -0.16 -0.55 8.47 8.21 1tedA1 MET 296 HA 0.01 0.03 0.37 -0.75 4.52 4.17 1tedA1 MET 296 HB2 -0.35 -0.02 -0.02 -0.04 2.15 1.72 1tedA1 MET 296 HB3 -0.38 0.08 0.02 -0.04 2.03 1.71 1tedA1 MET 296 HG2 0.05 0.00 -0.15 -0.04 2.63 2.49 1tedA1 MET 296 HG3 -0.03 -0.06 -0.27 -0.04 2.56 2.16 1tedA1 MET 296 HE3 -0.02 -0.01 -0.22 -0.04 2.10 1.81 1tedA1 LEU 297 H -0.00 0.55 -0.21 -0.55 8.37 8.16 1tedA1 LEU 297 HA 0.01 0.02 0.31 -0.75 4.35 3.93 1tedA1 LEU 297 HB2 0.08 0.08 -0.03 -0.04 1.64 1.73 1tedA1 LEU 297 HB3 0.04 -0.09 -0.46 -0.04 1.64 1.09 1tedA1 LEU 297 HG 0.04 0.13 -0.05 -0.04 1.64 1.71 1tedA1 LEU 297 HD13 0.19 -0.02 -0.42 -0.04 0.93 0.65 1tedA1 LEU 297 HD23 -0.04 -0.01 -0.16 -0.04 0.89 0.63 1tedA1 TRP 298 H 0.23 0.45 -0.29 -0.55 7.97 7.82 1tedA1 TRP 298 HA -0.01 0.04 0.43 -0.75 4.62 4.32 1tedA1 TRP 298 HB2 -0.02 0.08 0.17 -0.04 3.23 3.42 1tedA1 TRP 298 HB3 -0.02 0.15 0.15 -0.04 3.23 3.46 1tedA1 TRP 298 HD1 -0.01 -0.01 0.01 -0.04 7.22 7.17 1tedA1 TRP 298 HE1 -0.01 -0.04 -0.01 -0.04 10.20 10.10 1tedA1 TRP 298 HE3 -0.01 0.10 -0.26 -0.04 7.59 7.37 1tedA1 TRP 298 HZ2 -0.01 -0.03 -0.01 -0.04 7.44 7.35 1tedA1 TRP 298 HZ3 -0.01 -0.00 -0.03 -0.04 7.13 7.05 1tedA1 TRP 298 HH2 -0.01 -0.02 -0.01 -0.04 7.19 7.11 1tedA1 ASP 299 H 0.23 0.40 -0.27 -0.55 8.40 8.20 1tedA1 ASP 299 HA 0.07 -0.02 0.40 -0.75 4.63 4.33 1tedA1 ASP 299 HB2 0.08 0.22 0.11 -0.04 2.71 3.08 1tedA1 ASP 299 HB3 0.06 -0.05 0.05 -0.04 2.70 2.72 1tedA1 ASN 300 H -0.04 0.35 -0.64 -0.55 8.53 7.65 1tedA1 ASN 300 HA -0.09 0.17 0.88 -0.75 4.76 4.97 1tedA1 ASN 300 HB2 -0.04 0.01 0.06 -0.04 2.88 2.86 1tedA1 ASN 300 HB3 -0.05 -0.05 0.12 -0.04 2.79 2.77 1tedA1 ASN 300 HD21 0.04 -0.11 -0.13 -0.04 7.03 6.79 1tedA1 ASN 300 HD22 0.01 0.51 0.04 -0.04 7.74 8.26 1tedA1 GLY 301 H -0.34 0.52 -0.29 -0.55 8.43 7.78 1tedA1 GLY 301 HA2 -0.37 -0.01 0.31 -0.51 4.01 3.43 1tedA1 GLY 301 HA3 -0.20 -0.03 0.35 -0.51 4.01 3.63 1tedA1 LEU 302 H -0.09 0.60 -0.17 -0.55 8.37 8.16 1tedA1 LEU 302 HA -0.03 0.13 0.86 -0.75 4.35 4.55 1tedA1 LEU 302 HB2 -0.03 -0.03 -0.13 -0.04 1.64 1.41 1tedA1 LEU 302 HB3 -0.02 -0.04 0.00 -0.04 1.64 1.54 1tedA1 LEU 302 HG -0.07 0.27 -0.51 -0.04 1.64 1.29 1tedA1 LEU 302 HD13 -0.07 -0.03 -0.10 -0.04 0.93 0.68 1tedA1 LEU 302 HD23 -0.05 -0.01 -0.02 -0.04 0.89 0.77 1tedA1 GLN 303 H 0.03 0.17 0.14 -0.55 8.47 8.27 1tedA1 GLN 303 HA 0.10 0.24 0.76 -0.75 4.36 4.70 1tedA1 GLN 303 HB2 0.07 -0.12 -0.05 -0.04 2.15 2.01 1tedA1 GLN 303 HB3 0.08 -0.03 0.12 -0.04 2.02 2.16 1tedA1 GLN 303 HG2 0.09 0.08 -0.12 -0.04 2.40 2.41 1tedA1 GLN 303 HG3 0.05 0.01 -0.22 -0.04 2.39 2.19 1tedA1 GLN 303 HE21 0.03 0.00 -0.04 -0.04 6.97 6.92 1tedA1 GLN 303 HE22 0.03 0.06 -0.07 -0.04 7.69 7.67 1tedA1 ILE 304 H 0.12 0.19 0.12 -0.55 8.25 8.13 1tedA1 ILE 304 HA 0.39 0.11 0.34 -0.75 4.18 4.26 1tedA1 ILE 304 HB 0.10 0.01 0.10 -0.04 1.89 2.06 1tedA1 ILE 304 HG12 0.25 0.00 -0.08 -0.04 1.49 1.62 1tedA1 ILE 304 HG13 0.12 -0.06 0.04 -0.04 1.21 1.26 1tedA1 ILE 304 HG23 0.10 0.05 -0.09 -0.04 0.93 0.96 1tedA1 ILE 304 HD13 -0.02 0.02 0.02 -0.04 0.88 0.86 1tedA1 SER 305 H 0.11 0.04 -0.17 -0.55 8.46 7.90 1tedA1 SER 305 HA 0.15 0.14 0.40 -0.75 4.49 4.43 1tedA1 SER 305 HB2 0.07 0.03 0.07 -0.04 3.95 4.08 1tedA1 SER 305 HB3 0.07 0.01 0.07 -0.04 3.93 4.04 1tedA1 ASP 306 H 0.09 0.22 -0.47 -0.55 8.40 7.69 1tedA1 ASP 306 HA 0.03 0.09 0.55 -0.75 4.63 4.54 1tedA1 ASP 306 HB2 0.00 0.12 0.07 -0.04 2.71 2.86 1tedA1 ASP 306 HB3 -0.02 0.03 0.05 -0.04 2.70 2.71 1tedA1 ILE 307 H 0.10 0.24 -0.26 -0.55 8.25 7.77 1tedA1 ILE 307 HA -0.19 0.09 0.51 -0.75 4.18 3.84 1tedA1 ILE 307 HB -0.09 0.04 0.07 -0.04 1.89 1.87 1tedA1 ILE 307 HG12 -0.01 0.02 0.00 -0.04 1.49 1.46 1tedA1 ILE 307 HG13 -0.52 -0.08 -0.08 -0.04 1.21 0.49 1tedA1 ILE 307 HG23 -1.26 -0.03 -0.24 -0.04 0.93 -0.65 1tedA1 ILE 307 HD13 -0.26 -0.00 -0.23 -0.04 0.88 0.35 1tedA1 ASP 308 H -0.21 0.49 0.41 -0.55 8.40 8.54 1tedA1 ASP 308 HA -0.02 0.05 0.77 -0.75 4.63 4.67 1tedA1 ASP 308 HB2 -0.09 -0.04 0.14 -0.04 2.71 2.67 1tedA1 ASP 308 HB3 -0.03 -0.07 0.08 -0.04 2.70 2.64 1tedA1 LEU 309 H 0.01 0.07 0.07 -0.55 8.37 7.97 1tedA1 LEU 309 HA 0.04 -0.06 0.41 -0.75 4.35 3.99 1tedA1 LEU 309 HB2 -0.20 0.30 0.40 -0.04 1.64 2.10 1tedA1 LEU 309 HB3 0.06 -0.08 -0.07 -0.04 1.64 1.50 1tedA1 LEU 309 HG -0.03 -0.09 -0.55 -0.04 1.64 0.94 1tedA1 LEU 309 HD13 0.11 0.01 -0.18 -0.04 0.93 0.83 1tedA1 LEU 309 HD23 0.06 -0.01 -0.03 -0.04 0.89 0.87 1tedA1 TRP 310 H 0.21 0.25 0.12 -0.55 7.97 8.01 1tedA1 TRP 310 HA 0.02 0.27 0.91 -0.75 4.62 5.06 1tedA1 TRP 310 HB2 0.03 0.15 0.17 -0.04 3.23 3.54 1tedA1 TRP 310 HB3 0.00 -0.06 0.00 -0.04 3.23 3.13 1tedA1 TRP 310 HD1 0.04 -0.08 -0.12 -0.04 7.22 7.03 1tedA1 TRP 310 HE1 0.04 0.14 -0.07 -0.04 10.20 10.27 1tedA1 TRP 310 HE3 0.20 -0.01 -0.10 -0.04 7.59 7.64 1tedA1 TRP 310 HZ2 0.04 0.21 0.07 -0.04 7.44 7.72 1tedA1 TRP 310 HZ3 0.27 -0.05 -0.13 -0.04 7.13 7.18 1tedA1 TRP 310 HH2 0.06 -0.04 -0.09 -0.04 7.19 7.09 1tedA1 ALA 311 H 0.11 0.60 0.06 -0.55 8.40 8.63 1tedA1 ALA 311 HA 0.04 0.07 0.63 -0.75 4.34 4.32 1tedA1 ALA 311 HB3 0.08 -0.00 0.02 -0.04 1.41 1.47 1tedA1 ILE 312 H -0.06 0.35 -0.04 -0.55 8.25 7.95 1tedA1 ILE 312 HA -0.68 0.10 0.63 -0.75 4.18 3.48 1tedA1 ILE 312 HB -0.15 -0.04 0.06 -0.04 1.89 1.72 1tedA1 ILE 312 HG12 -0.39 0.02 -0.15 -0.04 1.49 0.93 1tedA1 ILE 312 HG13 -0.00 0.02 -0.22 -0.04 1.21 0.97 1tedA1 ILE 312 HG23 -0.02 0.02 -0.17 -0.04 0.93 0.71 1tedA1 ILE 312 HD13 0.02 -0.00 -0.12 -0.04 0.88 0.74 1tedA1 HIS 313 H -0.14 0.54 0.33 -0.55 8.41 8.59 1tedA1 HIS 313 HA -0.10 0.06 0.31 -0.75 4.63 4.14 1tedA1 HIS 313 HB2 -0.10 0.07 0.23 -0.04 3.26 3.42 1tedA1 HIS 313 HB3 -0.01 -0.07 0.26 -0.04 3.20 3.34 1tedA1 HIS 313 HD2 0.12 -0.05 -0.04 -0.04 6.97 6.96 1tedA1 HIS 313 HE1 -0.11 0.04 -0.07 -0.04 7.75 7.56 1tedA1 PRO 314 HA -0.34 0.04 0.51 -0.51 4.44 4.14 1tedA1 PRO 314 HB2 -0.18 0.03 0.22 -0.04 2.28 2.31 1tedA1 PRO 314 HB3 -0.22 0.15 0.18 -0.04 2.02 2.09 1tedA1 PRO 314 HG2 -0.23 -0.05 0.05 -0.04 2.03 1.75 1tedA1 PRO 314 HG3 -0.10 0.06 0.07 -0.04 2.03 2.02 1tedA1 PRO 314 HD2 -0.20 -0.09 -0.03 -0.04 3.68 3.32 1tedA1 PRO 314 HD3 -0.15 0.33 0.13 -0.04 3.65 3.91 1tedA1 GLY 315 H -0.34 0.46 -0.09 -0.55 8.43 7.92 1tedA1 GLY 315 HA2 -0.12 0.03 0.41 -0.51 4.01 3.81 1tedA1 GLY 315 HA3 0.08 -0.05 0.26 -0.51 4.01 3.79 1tedA1 GLY 316 H -0.13 0.09 -0.21 -0.55 8.43 7.64 1tedA1 GLY 316 HA2 0.02 0.27 0.29 -0.51 4.01 4.08 1tedA1 GLY 316 HA3 0.04 0.10 0.53 -0.51 4.01 4.17 1tedA1 PRO 317 HA 0.19 0.04 0.42 -0.51 4.44 4.58 1tedA1 PRO 317 HB2 0.22 -0.00 -0.00 -0.04 2.28 2.45 1tedA1 PRO 317 HB3 0.36 0.10 0.05 -0.04 2.02 2.49 1tedA1 PRO 317 HG2 0.08 -0.18 0.11 -0.04 2.03 2.01 1tedA1 PRO 317 HG3 0.10 0.38 0.13 -0.04 2.03 2.61 1tedA1 PRO 317 HD2 0.07 0.07 0.26 -0.04 3.68 4.04 1tedA1 PRO 317 HD3 0.14 0.54 0.23 -0.04 3.65 4.52 1tedA1 LYS 318 H 0.06 0.19 -0.18 -0.55 8.42 7.94 1tedA1 LYS 318 HA 0.07 0.09 0.40 -0.75 4.32 4.12 1tedA1 LYS 318 HB2 0.02 0.00 -0.02 -0.04 1.87 1.83 1tedA1 LYS 318 HB3 0.01 -0.02 0.01 -0.04 1.79 1.75 1tedA1 LYS 318 HG2 0.03 0.03 0.01 -0.04 1.46 1.48 1tedA1 LYS 318 HG3 0.04 0.03 0.03 -0.04 1.46 1.52 1tedA1 LYS 318 HD2 -0.00 -0.00 -0.02 -0.04 1.69 1.63 1tedA1 LYS 318 HD3 -0.01 -0.01 0.00 -0.04 1.68 1.62 1tedA1 LYS 318 HE2 0.00 0.01 -0.01 -0.04 2.99 2.95 1tedA1 LYS 318 HE3 0.01 0.05 -0.01 -0.04 2.99 2.99 1tedA1 ILE 319 H 0.01 0.26 -0.33 -0.55 8.25 7.64 1tedA1 ILE 319 HA 0.01 0.05 0.46 -0.75 4.18 3.95 1tedA1 ILE 319 HB 0.01 0.02 0.09 -0.04 1.89 1.97 1tedA1 ILE 319 HG12 0.02 -0.01 -0.11 -0.04 1.49 1.36 1tedA1 ILE 319 HG13 0.04 -0.03 -0.13 -0.04 1.21 1.04 1tedA1 ILE 319 HG23 0.26 0.00 -0.09 -0.04 0.93 1.07 1tedA1 ILE 319 HD13 0.15 -0.03 -0.12 -0.04 0.88 0.84 1tedA1 ILE 320 H -0.16 0.44 -0.03 -0.55 8.25 7.95 1tedA1 ILE 320 HA -0.13 0.06 0.39 -0.75 4.18 3.75 1tedA1 ILE 320 HB -0.96 0.07 0.09 -0.04 1.89 1.05 1tedA1 ILE 320 HG12 -0.43 0.07 -0.13 -0.04 1.49 0.96 1tedA1 ILE 320 HG13 -0.42 -0.05 0.00 -0.04 1.21 0.70 1tedA1 ILE 320 HG23 -0.95 0.00 -0.10 -0.04 0.93 -0.17 1tedA1 ILE 320 HD13 -0.98 0.01 -0.18 -0.04 0.88 -0.32 1tedA1 GLU 321 H 0.02 0.59 -0.05 -0.55 8.60 8.61 1tedA1 GLU 321 HA 0.23 0.01 0.34 -0.75 4.29 4.12 1tedA1 GLU 321 HB2 0.20 0.43 0.20 -0.04 2.09 2.87 1tedA1 GLU 321 HB3 0.09 0.01 0.13 -0.04 1.99 2.18 1tedA1 GLU 321 HG2 0.08 -0.02 -0.11 -0.04 2.34 2.25 1tedA1 GLU 321 HG3 0.17 -0.02 0.01 -0.04 2.34 2.47 1tedA1 GLN 322 H 0.07 0.48 -0.17 -0.55 8.47 8.30 1tedA1 GLN 322 HA 0.11 0.03 0.49 -0.75 4.36 4.24 1tedA1 GLN 322 HB2 0.05 0.06 0.13 -0.04 2.15 2.35 1tedA1 GLN 322 HB3 0.15 -0.06 0.08 -0.04 2.02 2.15 1tedA1 GLN 322 HG2 0.02 0.13 0.12 -0.04 2.40 2.63 1tedA1 GLN 322 HG3 0.01 -0.02 0.06 -0.04 2.39 2.39 1tedA1 GLN 322 HE21 -0.08 0.01 -0.06 -0.04 6.97 6.80 1tedA1 GLN 322 HE22 -0.02 -0.01 -0.04 -0.04 7.69 7.59 1tedA1 SER 323 H 0.13 0.41 -0.34 -0.55 8.46 8.11 1tedA1 SER 323 HA 0.20 0.02 0.37 -0.75 4.49 4.33 1tedA1 SER 323 HB2 0.19 0.13 0.16 -0.04 3.95 4.39 1tedA1 SER 323 HB3 0.50 -0.06 -0.04 -0.04 3.93 4.29 1tedA1 VAL 324 H 0.09 0.58 -0.15 -0.55 8.24 8.21 1tedA1 VAL 324 HA -0.06 0.03 0.35 -0.75 4.13 3.69 1tedA1 VAL 324 HB 0.11 0.13 0.08 -0.04 2.12 2.39 1tedA1 VAL 324 HG13 0.04 -0.04 -0.27 -0.04 0.97 0.66 1tedA1 VAL 324 HG23 0.06 0.01 -0.06 -0.04 0.95 0.91 1tedA1 ARG 325 H 0.11 0.40 -0.13 -0.55 8.46 8.28 1tedA1 ARG 325 HA 0.08 0.04 0.43 -0.75 4.34 4.14 1tedA1 ARG 325 HB2 0.07 0.04 0.11 -0.04 1.90 2.07 1tedA1 ARG 325 HB3 0.19 0.02 0.14 -0.04 1.80 2.11 1tedA1 ARG 325 HG2 0.21 0.03 -0.14 -0.04 1.67 1.73 1tedA1 ARG 325 HG3 0.06 -0.02 0.04 -0.04 1.67 1.71 1tedA1 ARG 325 HD2 -0.15 -0.01 -0.03 -0.04 3.22 2.99 1tedA1 ARG 325 HD3 -0.07 -0.02 -0.02 -0.04 3.22 3.08 1tedA1 SER 326 H 0.21 0.58 -0.12 -0.55 8.46 8.58 1tedA1 SER 326 HA -0.19 0.03 0.40 -0.75 4.49 3.98 1tedA1 SER 326 HB2 0.02 0.03 0.30 -0.04 3.95 4.25 1tedA1 SER 326 HB3 -0.03 0.07 0.18 -0.04 3.93 4.12 1tedA1 LEU 327 H -0.06 0.34 -0.37 -0.55 8.37 7.73 1tedA1 LEU 327 HA -0.14 0.03 0.50 -0.75 4.35 4.00 1tedA1 LEU 327 HB2 -0.33 0.04 0.03 -0.04 1.64 1.34 1tedA1 LEU 327 HB3 -0.48 -0.05 -0.01 -0.04 1.64 1.06 1tedA1 LEU 327 HG -0.15 0.10 -0.02 -0.04 1.64 1.53 1tedA1 LEU 327 HD13 -0.74 -0.02 -0.13 -0.04 0.93 -0.00 1tedA1 LEU 327 HD23 -0.22 -0.02 -0.13 -0.04 0.89 0.49 1tedA1 GLY 328 H -0.01 0.37 -0.35 -0.55 8.43 7.89 1tedA1 GLY 328 HA2 0.01 -0.00 0.32 -0.51 4.01 3.83 1tedA1 GLY 328 HA3 -0.01 -0.00 0.42 -0.51 4.01 3.91 1tedA1 ILE 329 H -0.09 0.33 -0.09 -0.55 8.25 7.85 1tedA1 ILE 329 HA -0.03 0.19 0.86 -0.75 4.18 4.45 1tedA1 ILE 329 HB -0.32 -0.02 -0.06 -0.04 1.89 1.45 1tedA1 ILE 329 HG12 -0.05 0.04 -0.17 -0.04 1.49 1.27 1tedA1 ILE 329 HG13 -0.27 0.08 -0.38 -0.04 1.21 0.60 1tedA1 ILE 329 HG23 -0.08 0.03 -0.05 -0.04 0.93 0.79 1tedA1 ILE 329 HD13 -0.43 0.01 -0.08 -0.04 0.88 0.33 1tedA1 SER 330 H 0.03 0.16 0.12 -0.55 8.46 8.22 1tedA1 SER 330 HA 0.04 0.09 0.47 -0.75 4.49 4.34 1tedA1 SER 330 HB2 0.05 0.12 0.13 -0.04 3.95 4.20 1tedA1 SER 330 HB3 0.07 0.03 0.15 -0.04 3.93 4.14 1tedA1 ALA 331 H 0.06 0.19 0.18 -0.55 8.40 8.28 1tedA1 ALA 331 HA 0.15 0.13 0.33 -0.75 4.34 4.20 1tedA1 ALA 331 HB3 0.08 0.03 0.07 -0.04 1.41 1.55 1tedA1 GLU 332 H 0.08 0.06 -0.35 -0.55 8.60 7.84 1tedA1 GLU 332 HA 0.11 0.11 0.47 -0.75 4.29 4.23 1tedA1 GLU 332 HB2 0.07 -0.00 0.03 -0.04 2.09 2.15 1tedA1 GLU 332 HB3 0.08 0.07 0.05 -0.04 1.99 2.14 1tedA1 GLU 332 HG2 0.04 0.05 0.03 -0.04 2.34 2.42 1tedA1 GLU 332 HG3 0.04 -0.07 -0.02 -0.04 2.34 2.25 1tedA1 LEU 333 H 0.12 0.48 -0.35 -0.55 8.37 8.08 1tedA1 LEU 333 HA 0.18 0.10 0.54 -0.75 4.35 4.41 1tedA1 LEU 333 HB2 0.14 0.20 0.07 -0.04 1.64 2.01 1tedA1 LEU 333 HB3 0.42 -0.03 0.14 -0.04 1.64 2.13 1tedA1 LEU 333 HG 0.14 -0.10 0.01 -0.04 1.64 1.65 1tedA1 LEU 333 HD13 0.26 0.01 0.05 -0.04 0.93 1.21 1tedA1 LEU 333 HD23 0.19 -0.01 0.07 -0.04 0.89 1.11 1tedA1 ALA 334 H 0.21 0.32 -0.77 -0.55 8.40 7.61 1tedA1 ALA 334 HA 0.13 0.21 0.87 -0.75 4.34 4.80 1tedA1 ALA 334 HB3 0.13 0.04 0.05 -0.04 1.41 1.59 1tedA1 ALA 335 H 0.20 0.42 -0.14 -0.55 8.40 8.33 1tedA1 ALA 335 HA 0.34 0.05 0.43 -0.75 4.34 4.41 1tedA1 ALA 335 HB3 0.13 0.04 0.12 -0.04 1.41 1.66 1tedA1 GLN 336 H 0.13 0.17 -0.13 -0.55 8.47 8.09 1tedA1 GLN 336 HA 0.11 0.10 0.37 -0.75 4.36 4.18 1tedA1 GLN 336 HB2 0.08 -0.01 0.04 -0.04 2.15 2.22 1tedA1 GLN 336 HB3 0.07 0.07 0.00 -0.04 2.02 2.13 1tedA1 GLN 336 HG2 0.07 0.08 -0.06 -0.04 2.40 2.45 1tedA1 GLN 336 HG3 0.08 0.03 -0.04 -0.04 2.39 2.42 1tedA1 GLN 336 HE21 0.09 -0.03 0.02 -0.04 6.97 7.01 1tedA1 GLN 336 HE22 0.07 0.14 -0.03 -0.04 7.69 7.83 1tedA1 SER 337 H 0.04 0.13 -0.29 -0.55 8.46 7.80 1tedA1 SER 337 HA -0.04 0.05 0.49 -0.75 4.49 4.24 1tedA1 SER 337 HB2 -0.27 0.08 0.13 -0.04 3.95 3.85 1tedA1 SER 337 HB3 -0.27 0.00 0.02 -0.04 3.93 3.65 1tedA1 TRP 338 H 0.11 0.50 -0.05 -0.55 7.97 7.97 1tedA1 TRP 338 HA 0.02 0.01 0.45 -0.75 4.62 4.35 1tedA1 TRP 338 HB2 0.03 0.09 0.18 -0.04 3.23 3.49 1tedA1 TRP 338 HB3 0.02 -0.01 0.01 -0.04 3.23 3.21 1tedA1 TRP 338 HD1 0.04 0.03 -0.28 -0.04 7.22 6.96 1tedA1 TRP 338 HE1 0.03 -0.01 -0.04 -0.04 10.20 10.14 1tedA1 TRP 338 HE3 0.02 0.07 0.06 -0.04 7.59 7.69 1tedA1 TRP 338 HZ2 0.02 -0.02 -0.05 -0.04 7.44 7.35 1tedA1 TRP 338 HZ3 0.01 0.03 0.02 -0.04 7.13 7.15 1tedA1 TRP 338 HH2 0.02 0.00 0.07 -0.04 7.19 7.24 1tedA1 ASP 339 H 0.23 0.58 -0.14 -0.55 8.40 8.51 1tedA1 ASP 339 HA 0.14 -0.00 0.40 -0.75 4.63 4.41 1tedA1 ASP 339 HB2 0.13 0.04 0.11 -0.04 2.71 2.96 1tedA1 ASP 339 HB3 0.14 0.14 0.18 -0.04 2.70 3.11 1tedA1 VAL 340 H 0.13 0.47 -0.11 -0.55 8.24 8.18 1tedA1 VAL 340 HA 0.38 0.01 0.40 -0.75 4.13 4.17 1tedA1 VAL 340 HB 0.06 0.09 0.17 -0.04 2.12 2.40 1tedA1 VAL 340 HG13 0.09 0.01 -0.08 -0.04 0.97 0.95 1tedA1 VAL 340 HG23 0.19 0.05 -0.05 -0.04 0.95 1.10 1tedA1 LEU 341 H 0.06 0.46 -0.10 -0.55 8.37 8.25 1tedA1 LEU 341 HA 0.04 0.18 0.46 -0.75 4.35 4.28 1tedA1 LEU 341 HB2 -0.06 -0.05 0.13 -0.04 1.64 1.62 1tedA1 LEU 341 HB3 0.11 0.14 0.19 -0.04 1.64 2.04 1tedA1 LEU 341 HG -0.01 -0.24 -0.13 -0.04 1.64 1.22 1tedA1 LEU 341 HD13 0.19 0.05 -0.22 -0.04 0.93 0.90 1tedA1 LEU 341 HD23 0.02 0.02 -0.08 -0.04 0.89 0.81 1tedA1 ALA 342 H 0.13 0.51 -0.13 -0.55 8.40 8.37 1tedA1 ALA 342 HA 0.07 0.03 0.76 -0.75 4.34 4.44 1tedA1 ALA 342 HB3 0.08 0.01 0.16 -0.04 1.41 1.62 1tedA1 ARG 343 H -0.02 0.50 -0.02 -0.55 8.46 8.37 1tedA1 ARG 343 HA -0.23 -0.00 0.75 -0.75 4.34 4.11 1tedA1 ARG 343 HB2 -0.36 0.06 0.11 -0.04 1.90 1.67 1tedA1 ARG 343 HB3 -0.84 -0.07 0.05 -0.04 1.80 0.90 1tedA1 ARG 343 HG2 -0.14 -0.06 0.00 -0.04 1.67 1.43 1tedA1 ARG 343 HG3 -0.06 0.01 0.02 -0.04 1.67 1.59 1tedA1 ARG 343 HD2 0.02 -0.06 -0.03 -0.04 3.22 3.11 1tedA1 ARG 343 HD3 0.07 0.03 -0.12 -0.04 3.22 3.16 1tedA1 PHE 344 H 0.02 0.42 0.07 -0.55 8.34 8.29 1tedA1 PHE 344 HA 0.00 0.05 1.03 -0.75 4.62 4.95 1tedA1 PHE 344 HB2 -0.13 0.13 0.02 -0.04 3.15 3.14 1tedA1 PHE 344 HB3 -0.18 -0.14 0.04 -0.04 3.06 2.74 1tedA1 PHE 344 HD2 0.07 0.00 0.04 -0.04 7.28 7.35 1tedA1 PHE 344 HE2 0.21 -0.01 -0.07 -0.04 7.38 7.47 1tedA1 PHE 344 HZ 0.17 -0.01 -0.07 -0.04 7.32 7.37 1tedA1 GLY 345 H 0.07 0.31 0.25 -0.55 8.43 8.50 1tedA1 GLY 345 HA2 0.06 0.11 0.45 -0.51 4.01 4.12 1tedA1 GLY 345 HA3 0.06 0.11 0.62 -0.51 4.01 4.30 1tedA1 ASN 346 H 0.06 0.75 0.33 -0.55 8.53 9.12 1tedA1 ASN 346 HA -0.09 0.17 0.85 -0.75 4.76 4.94 1tedA1 ASN 346 HB2 -0.01 0.18 0.06 -0.04 2.88 3.07 1tedA1 ASN 346 HB3 0.03 0.03 0.10 -0.04 2.79 2.91 1tedA1 ASN 346 HD21 -0.23 -0.15 0.03 -0.04 7.03 6.64 1tedA1 ASN 346 HD22 -0.19 0.14 0.06 -0.04 7.74 7.72 1tedA1 MET 347 H -0.13 0.23 -0.01 -0.55 8.47 8.02 1tedA1 MET 347 HA -0.14 0.34 0.74 -0.75 4.52 4.71 1tedA1 MET 347 HB2 -0.30 -0.10 -0.09 -0.04 2.15 1.62 1tedA1 MET 347 HB3 -0.19 -0.06 -0.04 -0.04 2.03 1.70 1tedA1 MET 347 HG2 -0.13 0.03 -0.55 -0.04 2.63 1.95 1tedA1 MET 347 HG3 -0.14 0.10 -0.49 -0.04 2.56 1.99 1tedA1 MET 347 HE3 -0.22 0.08 0.10 -0.04 2.10 2.02 1tedA1 LEU 348 H -0.18 0.18 -0.44 -0.55 8.37 7.39 1tedA1 LEU 348 HA -0.15 0.05 0.24 -0.75 4.35 3.75 1tedA1 LEU 348 HB2 -0.13 0.15 -0.40 -0.04 1.64 1.22 1tedA1 LEU 348 HB3 -0.12 -0.24 0.05 -0.04 1.64 1.29 1tedA1 LEU 348 HG -0.23 -0.06 -0.08 -0.04 1.64 1.23 1tedA1 LEU 348 HD13 -0.68 0.05 -0.07 -0.04 0.93 0.19 1tedA1 LEU 348 HD23 -0.12 -0.00 -0.12 -0.04 0.89 0.60 1tedA1 SER 349 H -0.08 0.10 0.05 -0.55 8.46 7.98 1tedA1 SER 349 HA -0.11 0.23 0.28 -0.75 4.49 4.14 1tedA1 SER 349 HB2 -0.04 -0.06 -0.11 -0.04 3.95 3.70 1tedA1 SER 349 HB3 -0.05 0.11 0.03 -0.04 3.93 3.98 1tedA1 VAL 350 H -0.06 0.33 -0.40 -0.55 8.24 7.56 1tedA1 VAL 350 HA -0.00 0.05 0.29 -0.75 4.13 3.72 1tedA1 VAL 350 HB -0.16 0.13 -0.10 -0.04 2.12 1.95 1tedA1 VAL 350 HG13 -0.08 -0.01 -0.35 -0.04 0.97 0.49 1tedA1 VAL 350 HG23 -0.02 0.05 -0.28 -0.04 0.95 0.66 1tedA1 SER 351 H -0.07 0.32 -0.43 -0.55 8.46 7.73 1tedA1 SER 351 HA -0.22 0.07 0.25 -0.75 4.49 3.84 1tedA1 SER 351 HB2 0.11 0.06 -0.02 -0.04 3.95 4.07 1tedA1 SER 351 HB3 -0.12 0.09 -0.03 -0.04 3.93 3.83 1tedA1 LEU 352 H 0.06 0.24 -0.27 -0.55 8.37 7.85 1tedA1 LEU 352 HA 0.01 0.08 0.28 -0.75 4.35 3.97 1tedA1 LEU 352 HB2 0.02 0.01 0.02 -0.04 1.64 1.65 1tedA1 LEU 352 HB3 -0.02 0.03 -0.08 -0.04 1.64 1.52 1tedA1 LEU 352 HG -0.05 0.02 -0.14 -0.04 1.64 1.43 1tedA1 LEU 352 HD13 -0.03 0.02 -0.09 -0.04 0.93 0.79 1tedA1 LEU 352 HD23 -0.06 -0.02 -0.21 -0.04 0.89 0.55 1tedA1 ILE 353 H 0.03 0.29 -0.33 -0.55 8.25 7.69 1tedA1 ILE 353 HA -0.04 0.06 0.40 -0.75 4.18 3.84 1tedA1 ILE 353 HB 0.07 0.13 0.06 -0.04 1.89 2.10 1tedA1 ILE 353 HG12 -0.05 0.04 -0.12 -0.04 1.49 1.32 1tedA1 ILE 353 HG13 -0.02 -0.10 -0.10 -0.04 1.21 0.95 1tedA1 ILE 353 HG23 -0.04 0.01 -0.09 -0.04 0.93 0.77 1tedA1 ILE 353 HD13 -0.02 -0.00 -0.16 -0.04 0.88 0.66 1tedA1 PHE 354 H 0.25 0.31 -0.19 -0.55 8.34 8.16 1tedA1 PHE 354 HA -0.11 0.06 0.40 -0.75 4.62 4.21 1tedA1 PHE 354 HB2 -0.12 0.06 0.11 -0.04 3.15 3.16 1tedA1 PHE 354 HB3 -0.12 0.01 -0.07 -0.04 3.06 2.84 1tedA1 PHE 354 HD2 -0.50 0.03 -0.07 -0.04 7.28 6.70 1tedA1 PHE 354 HE2 -1.03 0.10 -0.02 -0.04 7.38 6.40 1tedA1 PHE 354 HZ -0.33 0.03 -0.07 -0.04 7.32 6.92 1tedA1 VAL 355 H 0.09 0.45 -0.28 -0.55 8.24 7.94 1tedA1 VAL 355 HA 0.07 0.04 0.34 -0.75 4.13 3.82 1tedA1 VAL 355 HB 0.00 0.23 0.11 -0.04 2.12 2.42 1tedA1 VAL 355 HG13 0.02 -0.05 -0.23 -0.04 0.97 0.66 1tedA1 VAL 355 HG23 0.00 0.06 -0.06 -0.04 0.95 0.92 1tedA1 LEU 356 H -0.03 0.41 -0.17 -0.55 8.37 8.03 1tedA1 LEU 356 HA -0.09 0.00 0.33 -0.75 4.35 3.84 1tedA1 LEU 356 HB2 -0.17 0.02 0.04 -0.04 1.64 1.49 1tedA1 LEU 356 HB3 -0.12 0.10 0.05 -0.04 1.64 1.64 1tedA1 LEU 356 HG -0.33 -0.04 -0.11 -0.04 1.64 1.13 1tedA1 LEU 356 HD13 -0.16 0.01 -0.23 -0.04 0.93 0.51 1tedA1 LEU 356 HD23 -0.63 -0.01 -0.11 -0.04 0.89 0.10 1tedA1 GLU 357 H -0.06 0.45 -0.30 -0.55 8.60 8.15 1tedA1 GLU 357 HA -0.06 0.06 0.33 -0.75 4.29 3.86 1tedA1 GLU 357 HB2 -0.13 0.02 0.02 -0.04 2.09 1.97 1tedA1 GLU 357 HB3 -0.13 0.11 0.08 -0.04 1.99 2.01 1tedA1 GLU 357 HG2 -0.08 -0.01 -0.23 -0.04 2.34 1.97 1tedA1 GLU 357 HG3 -0.08 0.02 0.01 -0.04 2.34 2.25 1tedA1 THR 358 H 0.00 0.38 -0.29 -0.55 8.28 7.82 1tedA1 THR 358 HA 0.02 0.04 0.43 -0.75 4.39 4.12 1tedA1 THR 358 HB 0.05 0.12 0.12 -0.04 4.32 4.57 1tedA1 THR 358 HG23 0.06 -0.02 -0.12 -0.04 1.22 1.11 1tedA1 MET 359 H 0.02 0.34 -0.21 -0.55 8.47 8.07 1tedA1 MET 359 HA 0.05 0.10 0.37 -0.75 4.52 4.28 1tedA1 MET 359 HB2 0.04 0.14 0.04 -0.04 2.15 2.33 1tedA1 MET 359 HB3 0.09 -0.05 -0.04 -0.04 2.03 1.99 1tedA1 MET 359 HG2 0.08 -0.08 -0.03 -0.04 2.63 2.56 1tedA1 MET 359 HG3 0.06 0.17 0.02 -0.04 2.56 2.77 1tedA1 MET 359 HE3 0.11 -0.06 -0.30 -0.04 2.10 1.80 1tedA1 VAL 360 H -0.01 0.31 -0.38 -0.55 8.24 7.61 1tedA1 VAL 360 HA 0.01 0.02 0.40 -0.75 4.13 3.80 1tedA1 VAL 360 HB -0.03 0.08 0.15 -0.04 2.12 2.28 1tedA1 VAL 360 HG13 -0.02 -0.01 -0.09 -0.04 0.97 0.81 1tedA1 VAL 360 HG23 -0.05 0.07 -0.07 -0.04 0.95 0.87 1tedA1 GLN 361 H -0.01 0.52 -0.06 -0.55 8.47 8.38 1tedA1 GLN 361 HA -0.00 0.02 0.37 -0.75 4.36 3.99 1tedA1 GLN 361 HB2 0.00 0.05 0.11 -0.04 2.15 2.28 1tedA1 GLN 361 HB3 0.00 -0.09 0.06 -0.04 2.02 1.95 1tedA1 GLN 361 HG2 -0.02 -0.04 0.04 -0.04 2.40 2.34 1tedA1 GLN 361 HG3 -0.02 0.24 0.12 -0.04 2.39 2.68 1tedA1 GLN 361 HE21 -0.03 -0.06 -0.01 -0.04 6.97 6.83 1tedA1 GLN 361 HE22 -0.03 0.01 0.01 -0.04 7.69 7.64 1tedA1 GLN 362 H 0.02 0.38 -0.48 -0.55 8.47 7.84 1tedA1 GLN 362 HA 0.02 0.07 0.76 -0.75 4.36 4.45 1tedA1 GLN 362 HB2 0.03 -0.01 -0.01 -0.04 2.15 2.11 1tedA1 GLN 362 HB3 0.02 -0.01 -0.14 -0.04 2.02 1.86 1tedA1 GLN 362 HG2 0.03 0.15 0.01 -0.04 2.40 2.55 1tedA1 GLN 362 HG3 0.04 -0.03 0.02 -0.04 2.39 2.38 1tedA1 GLN 362 HE21 0.05 -0.07 -0.06 -0.04 6.97 6.85 1tedA1 GLN 362 HE22 0.05 -0.02 -0.09 -0.04 7.69 7.59 1tedA1 ALA 363 H 0.02 0.10 0.07 -0.55 8.40 8.04 1tedA1 ALA 363 HA 0.02 0.08 0.47 -0.75 4.34 4.16 1tedA1 ALA 363 HB3 0.02 0.03 0.13 -0.04 1.41 1.54 1tedA1 GLU 364 H 0.03 0.12 0.21 -0.55 8.60 8.41 1tedA1 GLU 364 HA 0.04 0.16 0.66 -0.75 4.29 4.40 1tedA1 GLU 364 HB2 0.05 -0.05 0.15 -0.04 2.09 2.20 1tedA1 GLU 364 HB3 0.05 0.06 0.10 -0.04 1.99 2.15 1tedA1 GLU 364 HG2 0.03 -0.01 -0.23 -0.04 2.34 2.09 1tedA1 GLU 364 HG3 0.03 -0.09 -0.03 -0.04 2.34 2.21 1tedA1 SER 365 H 0.02 0.23 -0.02 -0.55 8.46 8.15 1tedA1 SER 365 HA 0.02 0.14 0.51 -0.75 4.49 4.41 1tedA1 SER 365 HB2 0.01 -0.09 0.17 -0.04 3.95 4.00 1tedA1 SER 365 HB3 0.02 0.12 -0.15 -0.04 3.93 3.88 1tedA1 ALA 366 H 0.01 0.13 0.12 -0.55 8.40 8.11 1tedA1 ALA 366 HA 0.01 0.23 0.71 -0.75 4.34 4.53 1tedA1 ALA 366 HB3 0.01 0.00 0.06 -0.04 1.41 1.44 1tedA1 LYS 367 H 0.00 -0.02 -0.17 -0.55 8.42 7.68 1tedA1 LYS 367 HA 0.00 0.04 0.47 -0.75 4.32 4.08 1tedA1 LYS 367 HB2 -0.01 0.17 -0.04 -0.04 1.87 1.96 1tedA1 LYS 367 HB3 -0.00 -0.05 0.06 -0.04 1.79 1.76 1tedA1 LYS 367 HG2 -0.00 -0.19 -0.04 -0.04 1.46 1.19 1tedA1 LYS 367 HG3 -0.01 0.18 -0.21 -0.04 1.46 1.37 1tedA1 LYS 367 HD2 -0.00 -0.06 0.02 -0.04 1.69 1.60 1tedA1 LYS 367 HD3 -0.01 -0.03 0.01 -0.04 1.68 1.61 1tedA1 LYS 367 HE2 -0.02 0.14 0.05 -0.04 2.99 3.11 1tedA1 LYS 367 HE3 -0.01 -0.01 0.02 -0.04 2.99 2.94 1tedA1 ALA 368 H -0.00 0.11 0.18 -0.55 8.40 8.14 1tedA1 ALA 368 HA 0.00 -0.05 0.57 -0.75 4.34 4.11 1tedA1 ALA 368 HB3 -0.00 0.04 0.16 -0.04 1.41 1.57 1tedA1 ILE 369 H 0.00 -0.05 0.25 -0.55 8.25 7.90 1tedA1 ILE 369 HA 0.00 0.17 0.50 -0.75 4.18 4.10 1tedA1 ILE 369 HB -0.01 0.23 0.50 -0.04 1.89 2.56 1tedA1 ILE 369 HG12 0.00 -0.06 -0.08 -0.04 1.49 1.31 1tedA1 ILE 369 HG13 -0.00 -0.06 -0.52 -0.04 1.21 0.59 1tedA1 ILE 369 HG23 -0.02 -0.02 -0.21 -0.04 0.93 0.64 1tedA1 ILE 369 HD13 -0.01 0.00 -0.05 -0.04 0.88 0.79 1tedA1 SER 370 H 0.00 0.50 0.32 -0.55 8.46 8.73 1tedA1 SER 370 HA -0.04 0.12 0.79 -0.75 4.49 4.61 1tedA1 SER 370 HB2 0.01 -0.02 0.11 -0.04 3.95 4.02 1tedA1 SER 370 HB3 -0.03 0.01 0.02 -0.04 3.93 3.89 1tedA1 THR 371 H -0.12 0.14 0.26 -0.55 8.28 8.00 1tedA1 THR 371 HA -0.23 0.26 1.17 -0.75 4.39 4.84 1tedA1 THR 371 HB -0.16 -0.04 0.19 -0.04 4.32 4.26 1tedA1 THR 371 HG23 -0.22 0.00 -0.10 -0.04 1.22 0.86 1tedA1 GLY 372 H -0.88 0.78 0.43 -0.55 8.43 8.21 1tedA1 GLY 372 HA2 -0.74 0.36 1.07 -0.51 4.01 4.19 1tedA1 GLY 372 HA3 -1.15 -0.07 0.29 -0.51 4.01 2.58 1tedA1 VAL 373 H -0.70 0.46 0.28 -0.55 8.24 7.73 1tedA1 VAL 373 HA -0.09 0.33 1.14 -0.75 4.13 4.76 1tedA1 VAL 373 HB -0.55 -0.05 0.07 -0.04 2.12 1.56 1tedA1 VAL 373 HG13 0.48 -0.01 -0.21 -0.04 0.97 1.19 1tedA1 VAL 373 HG23 -0.30 0.00 -0.15 -0.04 0.95 0.46 1tedA1 ALA 374 H 0.29 0.65 0.35 -0.55 8.40 9.14 1tedA1 ALA 374 HA 0.04 0.24 0.95 -0.75 4.34 4.82 1tedA1 ALA 374 HB3 0.11 -0.01 0.01 -0.04 1.41 1.47 1tedA1 PHE 375 H -0.29 0.54 0.33 -0.55 8.34 8.36 1tedA1 PHE 375 HA -0.11 0.22 0.76 -0.75 4.62 4.74 1tedA1 PHE 375 HB2 -0.06 0.02 0.03 -0.04 3.15 3.11 1tedA1 PHE 375 HB3 0.26 0.08 -0.08 -0.04 3.06 3.28 1tedA1 PHE 375 HD2 -0.02 0.01 -0.40 -0.04 7.28 6.84 1tedA1 PHE 375 HE2 0.33 0.01 -0.14 -0.04 7.38 7.54 1tedA1 PHE 375 HZ 0.11 0.03 -0.13 -0.04 7.32 7.29 1tedA1 ALA 376 H -0.11 0.81 0.47 -0.55 8.40 9.02 1tedA1 ALA 376 HA -0.21 0.08 0.70 -0.75 4.34 4.16 1tedA1 ALA 376 HB3 -0.21 -0.03 -0.08 -0.04 1.41 1.05 1tedA1 PHE 377 H -0.09 0.14 0.07 -0.55 8.34 7.91 1tedA1 PHE 377 HA 0.04 0.42 1.19 -0.75 4.62 5.50 1tedA1 PHE 377 HB2 0.05 -0.08 0.07 -0.04 3.15 3.16 1tedA1 PHE 377 HB3 0.05 0.06 -0.03 -0.04 3.06 3.10 1tedA1 PHE 377 HD2 0.12 0.01 -0.10 -0.04 7.28 7.27 1tedA1 PHE 377 HE2 0.13 0.06 -0.11 -0.04 7.38 7.42 1tedA1 PHE 377 HZ 0.17 0.05 -0.10 -0.04 7.32 7.40 1tedA1 GLY 378 H 0.08 0.65 0.33 -0.55 8.43 8.94 1tedA1 GLY 378 HA2 -0.00 0.01 0.85 -0.51 4.01 4.35 1tedA1 GLY 378 HA3 0.00 0.12 0.31 -0.51 4.01 3.94 1tedA1 PRO 379 HA 0.00 0.06 0.52 -0.51 4.44 4.51 1tedA1 PRO 379 HB2 -0.03 0.08 0.10 -0.04 2.28 2.39 1tedA1 PRO 379 HB3 -0.06 0.06 0.14 -0.04 2.02 2.11 1tedA1 PRO 379 HG2 -0.01 0.07 0.08 -0.04 2.03 2.13 1tedA1 PRO 379 HG3 -0.06 0.19 0.05 -0.04 2.03 2.17 1tedA1 PRO 379 HD2 -0.01 0.18 -0.06 -0.04 3.68 3.75 1tedA1 PRO 379 HD3 -0.04 0.00 -0.05 -0.04 3.65 3.52 1tedA1 GLY 380 H -0.01 0.33 0.23 -0.55 8.43 8.43 1tedA1 GLY 380 HA2 -0.02 -0.02 0.38 -0.51 4.01 3.84 1tedA1 GLY 380 HA3 -0.01 0.12 0.50 -0.51 4.01 4.11 1tedA1 VAL 381 H 0.01 -0.17 -1.22 -0.55 8.24 6.32 1tedA1 VAL 381 HA 0.07 0.12 0.32 -0.75 4.13 3.88 1tedA1 VAL 381 HB -0.10 0.18 0.32 -0.04 2.12 2.48 1tedA1 VAL 381 HG13 0.03 -0.02 -0.14 -0.04 0.97 0.81 1tedA1 VAL 381 HG23 0.02 -0.05 -0.08 -0.04 0.95 0.80 1tedA1 THR 382 H 0.09 0.36 0.18 -0.55 8.28 8.36 1tedA1 THR 382 HA 0.05 0.37 0.83 -0.75 4.39 4.89 1tedA1 THR 382 HB 0.03 -0.15 -0.02 -0.04 4.32 4.14 1tedA1 THR 382 HG23 0.02 0.00 -0.29 -0.04 1.22 0.91 1tedA1 VAL 383 H 0.10 0.63 0.25 -0.55 8.24 8.67 1tedA1 VAL 383 HA 0.05 0.16 0.86 -0.75 4.13 4.44 1tedA1 VAL 383 HB 0.16 -0.02 0.08 -0.04 2.12 2.29 1tedA1 VAL 383 HG13 0.04 0.01 -0.19 -0.04 0.97 0.78 1tedA1 VAL 383 HG23 0.23 0.03 -0.14 -0.04 0.95 1.03 1tedA1 GLU 384 H -0.12 0.67 0.37 -0.55 8.60 8.97 1tedA1 GLU 384 HA -0.18 0.32 1.00 -0.75 4.29 4.67 1tedA1 GLU 384 HB2 -0.08 -0.07 -0.06 -0.04 2.09 1.84 1tedA1 GLU 384 HB3 -0.13 -0.10 0.05 -0.04 1.99 1.77 1tedA1 GLU 384 HG2 -0.08 -0.04 -0.06 -0.04 2.34 2.12 1tedA1 GLU 384 HG3 -0.14 0.08 -0.02 -0.04 2.34 2.22 1tedA1 GLY 385 H -0.75 0.55 0.34 -0.55 8.43 8.02 1tedA1 GLY 385 HA2 -0.22 -0.03 0.49 -0.51 4.01 3.75 1tedA1 GLY 385 HA3 -0.50 0.13 0.53 -0.51 4.01 3.66 1tedA1 MET 386 H 0.07 0.62 0.40 -0.55 8.47 9.01 1tedA1 MET 386 HA 0.06 0.18 0.85 -0.75 4.52 4.86 1tedA1 MET 386 HB2 0.06 0.13 0.06 -0.04 2.15 2.36 1tedA1 MET 386 HB3 -0.04 -0.06 -0.27 -0.04 2.03 1.62 1tedA1 MET 386 HG2 0.07 -0.13 -0.11 -0.04 2.63 2.42 1tedA1 MET 386 HG3 0.32 0.03 -0.46 -0.04 2.56 2.41 1tedA1 MET 386 HE3 -0.27 -0.02 -0.19 -0.04 2.10 1.58 1tedA1 LEU 387 H 0.17 0.78 0.42 -0.55 8.37 9.19 1tedA1 LEU 387 HA -0.00 0.19 0.94 -0.75 4.35 4.72 1tedA1 LEU 387 HB2 0.07 -0.02 0.00 -0.04 1.64 1.65 1tedA1 LEU 387 HB3 0.07 -0.08 0.14 -0.04 1.64 1.73 1tedA1 LEU 387 HG -0.06 -0.01 -0.19 -0.04 1.64 1.34 1tedA1 LEU 387 HD13 -0.17 0.05 -0.04 -0.04 0.93 0.73 1tedA1 LEU 387 HD23 -0.03 0.01 -0.10 -0.04 0.89 0.73 1tedA1 PHE 388 H -0.44 0.89 0.45 -0.55 8.34 8.69 1tedA1 PHE 388 HA -0.02 0.09 0.93 -0.75 4.62 4.86 1tedA1 PHE 388 HB2 -0.03 0.08 0.02 -0.04 3.15 3.19 1tedA1 PHE 388 HB3 -0.02 -0.06 -0.30 -0.04 3.06 2.64 1tedA1 PHE 388 HD2 -0.04 0.02 -0.44 -0.04 7.28 6.78 1tedA1 PHE 388 HE2 -0.06 -0.02 -0.40 -0.04 7.38 6.86 1tedA1 PHE 388 HZ -0.07 -0.04 -0.25 -0.04 7.32 6.92 1tedA1 ASP 389 H 0.18 0.49 0.35 -0.55 8.40 8.87 1tedA1 ASP 389 HA -0.01 0.36 1.10 -0.75 4.63 5.32 1tedA1 ASP 389 HB2 0.03 -0.05 0.13 -0.04 2.71 2.78 1tedA1 ASP 389 HB3 0.02 -0.00 -0.09 -0.04 2.70 2.59 1tedA1 ILE 390 H 0.07 0.64 0.30 -0.55 8.25 8.71 1tedA1 ILE 390 HA 0.08 0.31 1.00 -0.75 4.18 4.82 1tedA1 ILE 390 HB 0.08 -0.10 0.12 -0.04 1.89 1.95 1tedA1 ILE 390 HG12 0.09 0.06 -0.15 -0.04 1.49 1.44 1tedA1 ILE 390 HG13 0.38 -0.08 -0.25 -0.04 1.21 1.22 1tedA1 ILE 390 HG23 0.03 0.05 -0.22 -0.04 0.93 0.75 1tedA1 ILE 390 HD13 0.13 0.00 -0.24 -0.04 0.88 0.73 1tedA1 ILE 391 H 0.03 0.69 0.15 -0.55 8.25 8.57 1tedA1 ILE 391 HA 0.01 -0.02 0.65 -0.75 4.18 4.07 1tedA1 ILE 391 HB 0.01 0.07 0.01 -0.04 1.89 1.94 1tedA1 ILE 391 HG12 0.01 -0.04 -0.14 -0.04 1.49 1.29 1tedA1 ILE 391 HG13 0.02 0.10 -0.09 -0.04 1.21 1.20 1tedA1 ILE 391 HG23 0.01 0.03 -0.29 -0.04 0.93 0.64 1tedA1 ILE 391 HD13 0.01 0.01 -0.12 -0.04 0.88 0.73 1tedA1 ARG 392 H 0.01 -0.04 0.31 -0.55 8.46 8.19 1tedA1 ARG 392 HA 0.01 0.20 0.78 -0.75 4.34 4.58 1tedA1 ARG 392 HB2 0.00 -0.09 0.19 -0.04 1.90 1.96 1tedA1 ARG 392 HB3 0.01 0.05 0.05 -0.04 1.80 1.87 1tedA1 ARG 392 HG2 0.01 -0.14 0.16 -0.04 1.67 1.65 1tedA1 ARG 392 HG3 0.01 0.19 0.04 -0.04 1.67 1.87 1tedA1 ARG 392 HD2 0.01 0.02 0.01 -0.04 3.22 3.23 1tedA1 ARG 392 HD3 0.02 0.03 -0.32 -0.04 3.22 2.90 1tedA1 ARG 393 H 0.00 0.15 0.05 -0.55 8.46 8.10 1tedA1 ARG 393 HA 0.00 0.21 0.30 -0.75 4.34 4.10 1tedA1 ARG 393 HB2 0.00 0.02 0.07 -0.04 1.90 1.95 1tedA1 ARG 393 HB3 0.00 0.17 -0.06 -0.04 1.80 1.88 1tedA1 ARG 393 HG2 0.00 -0.07 -0.15 -0.04 1.67 1.41 1tedA1 ARG 393 HG3 0.00 -0.01 0.04 -0.04 1.67 1.66 1tedA1 ARG 393 HD2 0.00 0.01 0.00 -0.04 3.22 3.19 1tedA1 ARG 393 HD3 0.00 0.04 -0.05 -0.04 3.22 3.18